data_r4nezsf
# 
_audit.revision_id    1_0
_audit.creation_date  2014-01-15
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4nez 
_cell.length_a      51.8340 
_cell.length_b      71.0730 
_cell.length_c      109.8500 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9792 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.395 
_diffrn_reflns.pdbx_d_res_low    54.925 
_diffrn_reflns.limit_h_max       21 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       29 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       45 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            8295 
_diffrn_reflns.pdbx_number_obs   8219 
# 
_entry.id   4nez 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4nez 
_symmetry.space_group_name_H-M   'C 2 2 21' 
_symmetry.Int_Tables_number      20 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'               
2 'X,  -Y,  -Z'             
3 '-X,  Y,  -Z+1/2'         
4 '-X,  -Y,  Z+1/2'         
5 'X+1/2,  Y+1/2,  Z'       
6 'X+1/2,  -Y+1/2,  -Z'     
7 '-X+1/2,  Y+1/2,  -Z+1/2' 
8 '-X+1/2,  -Y+1/2,  Z+1/2' 
# 
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.F_meas_au
_refln.F_meas_sigma_au
_refln.F_calc
_refln.phase_calc
_refln.pdbx_HL_A_iso
_refln.pdbx_HL_B_iso
_refln.pdbx_HL_C_iso
_refln.pdbx_HL_D_iso
1 1 1    0    0   10 o   42.692   0.5766   21.901   0.0000   0.05   0.00   0.00   0.00 
1 1 1    0    0   12 o  205.866   3.3857  212.789   0.0000  -0.04   0.00   0.00   0.00 
1 1 1    0    0   14 o   25.581   0.3908   11.888  180.000   0.07   0.00   0.00   0.00 
1 1 1    0    0   16 o   17.444   0.3704   5.8046   0.0000  -0.03   0.00   0.00   0.00 
1 1 1    0    0   18 f   8.1609   0.6190   31.353   0.0000  -0.09   0.00   0.00   0.00 
1 1 1    0    0   20 o   83.022   0.7366   95.913  180.000   0.94   0.00   0.00   0.00 
1 1 1    0    0   22 o   39.561   0.4264   29.928   0.0000  -0.15   0.00   0.00   0.00 
1 1 1    0    0   24 f   63.854   0.6219   79.557   0.0000   0.22   0.00   0.00   0.00 
1 1 1    0    0   26 o   24.574   0.4475   20.959  180.000   0.08   0.00   0.00   0.00 
1 1 1    0    0   28 o   78.107   0.7224   90.297  180.000  -0.64   0.00   0.00   0.00 
1 1 1    0    0   30 o   16.748   0.7862   12.288   0.0000   0.02   0.00   0.00   0.00 
1 1 1    0    0   32 o   25.352   0.5632   16.630   0.0000  -0.15   0.00   0.00   0.00 
1 1 1    0    0   34 o   41.835   0.6785   29.295   0.0000   1.36   0.00   0.00   0.00 
1 1 1    0    0   36 o   9.0609   0.9851   14.847  180.000  -0.32   0.00   0.00   0.00 
1 1 1    0    0   38 o   22.152   0.5719   31.713   0.0000   0.51   0.00   0.00   0.00 
1 1 1    0    0   40 o   16.118   0.6093   13.323  180.000  -0.65   0.00   0.00   0.00 
1 1 1    0    0   42 o   6.0249   1.3962   3.1160  180.000   0.14   0.00   0.00   0.00 
1 1 1    0    0   44 f   7.0852   1.1622   3.9757  180.000  -0.26   0.00   0.00   0.00 
1 1 1    0    2    4 o   46.778   0.3469   18.530   0.0000  -0.24   0.00   0.00   0.00 
1 1 1    0    2    5 f  117.883   1.9627  106.659  180.000  -0.97   0.00   0.00   0.00 
1 1 1    0    2    6 f  120.065   1.4080   45.578   0.0000  -0.39   0.00   0.00   0.00 
1 1 1    0    2    9 o   81.112   0.6713  101.956   0.0000  -0.95   0.00   0.00   0.00 
1 1 1    0    2   10 f   85.598   0.5369  101.092  180.000   1.34   0.00   0.00   0.00 
1 1 1    0    2   11 f  182.331   1.7034  189.379 -180.0000   1.91   0.00   0.00   0.00 
1 1 1    0    2   12 o  165.917   1.2178  118.095   0.0000  -0.87   0.00   0.00   0.00 
1 1 1    0    2   13 o   5.5045   0.4363   3.9407  -0.0000  -0.02   0.00   0.00   0.00 
1 1 1    0    2   14 o  104.751   0.6390   95.856   0.0000  -0.11   0.00   0.00   0.00 
1 1 1    0    2   15 o   39.753   0.3058   29.669   0.0000  -0.02   0.00   0.00   0.00 
1 1 1    0    2   16 o   10.521   0.3449   0.1042  180.000   0.04   0.00   0.00   0.00 
1 1 1    0    2   17 o   11.849   0.3164   13.853   0.0000   0.04   0.00   0.00   0.00 
1 1 1    0    2   18 o   20.871   0.2813   24.707  180.000  -0.26   0.00   0.00   0.00 
1 1 1    0    2   19 o   48.727   0.3697   27.977  -0.0000   0.23   0.00   0.00   0.00 
1 1 1    0    2   20 o   43.812   0.3588   28.405  180.000  -0.09   0.00   0.00   0.00 
1 1 1    0    2   21 o   10.597   0.4086   18.444  180.000  -0.07   0.00   0.00   0.00 
1 1 1    0    2   22 o   24.298   0.3048   17.270   0.0000   0.06   0.00   0.00   0.00 
1 1 1    0    2   23 o   53.028   0.3847   42.465  180.000  -0.06   0.00   0.00   0.00 
1 1 1    0    2   24 o   35.195   0.3572   50.620   0.0000   0.26   0.00   0.00   0.00 
1 1 1    0    2   25 o   45.007   0.3615   49.785  -0.0000   0.23   0.00   0.00   0.00 
1 1 1    0    2   26 o   16.489   0.5115   2.1240  180.000  -0.05   0.00   0.00   0.00 
1 1 1    0    2   27 o   22.091   0.3344   13.883  180.000   0.01   0.00   0.00   0.00 
1 1 1    0    2   28 f   88.114   0.5689   87.951  180.000  -0.88   0.00   0.00   0.00 
1 1 1    0    2   29 o   0.0000   3.7148   0.3389   0.0000   0.00   0.00   0.00   0.00 
1 1 1    0    2   30 o   10.922   0.6390   25.796   0.0000   0.01   0.00   0.00   0.00 
1 1 1    0    2   31 o   0.0000   3.5777   5.6064  180.000  -0.04   0.00   0.00   0.00 
1 1 1    0    2   32 f   4.2779   1.1455   10.272  180.000   0.02   0.00   0.00   0.00 
1 1 1    0    2   33 o   17.855   0.4078   17.421   0.0000   0.37   0.00   0.00   0.00 
1 1 1    0    2   34 o   5.3759   1.0806   9.3735  180.000  -0.01   0.00   0.00   0.00 
1 1 1    0    2   35 o   27.644   0.3853   17.138  180.000  -1.22   0.00   0.00   0.00 
1 1 1    0    2   36 o   21.909   0.3835   29.779   0.0000   0.93   0.00   0.00   0.00 
1 1 1    0    2   37 o   16.306   0.4330   19.676  -0.0000   1.68   0.00   0.00   0.00 
1 1 1    0    2   38 o   18.385   0.4744   1.7961  180.000  -1.75   0.00   0.00   0.00 
1 1 1    0    2   39 o   14.356   0.5465   16.352  180.000  -1.30   0.00   0.00   0.00 
1 1 1    0    2   40 o   0.0000   3.4496   0.2734  180.000   0.07   0.00   0.00   0.00 
1 1 1    0    2   41 o   11.675   0.6329   11.498  -0.0000   0.82   0.00   0.00   0.00 
1 1 1    0    2   42 o   3.3015   1.4837   1.0825  180.000  -0.22   0.00   0.00   0.00 
1 1 1    0    2   43 o   11.127   0.6526   2.2752  -0.0000  -1.15   0.00   0.00   0.00 
1 1 1    0    2   44 o   0.0000   3.7148   0.6685  180.000   0.22   0.00   0.00   0.00 
1 1 1    0    2   45 o   5.3009   1.2338   0.8401  180.000   0.34   0.00   0.00   0.00 
1 1 1    0    4    1 o   29.742   0.2054   66.718  180.000   0.73   0.00   0.00   0.00 
1 1 1    0    4    2 o   48.975   0.4341   54.354  180.000   0.19   0.00   0.00   0.00 
1 1 1    0    4    3 o   74.101   0.9322   30.637  180.000  -0.31   0.00   0.00   0.00 
1 1 1    0    4    4 o   10.232   0.1255   19.477   0.0000  -0.10   0.00   0.00   0.00 
1 1 1    0    4    6 o  112.024   0.8522   84.374   0.0000   0.85   0.00   0.00   0.00 
1 1 1    0    4    7 o   42.990   0.3141   5.7372  180.000  -0.31   0.00   0.00   0.00 
1 1 1    0    4    8 o  160.664   2.5654  169.864  180.000  -1.81   0.00   0.00   0.00 
1 1 1    0    4   10 o   59.718   0.4273   72.547   0.0000   0.77   0.00   0.00   0.00 
1 1 1    0    4   11 f   68.126   0.4484  104.857  -0.0000   0.03   0.00   0.00   0.00 
1 1 1    0    4   13 o  200.862   2.3644  223.049  -0.0000  -0.36   0.00   0.00   0.00 
1 1 1    0    4   14 o   21.216   0.2791   37.056  180.000   0.17   0.00   0.00   0.00 
1 1 1    0    4   15 o   35.074   0.3221   0.8298  180.000   0.23   0.00   0.00   0.00 
1 1 1    0    4   16 o  151.660   0.8693  118.672  180.000  -1.65   0.00   0.00   0.00 
1 1 1    0    4   17 o   84.892   0.5379   71.425  180.000   0.23   0.00   0.00   0.00 
1 1 1    0    4   18 o   30.063   0.2801   32.768   0.0000  -0.27   0.00   0.00   0.00 
1 1 1    0    4   19 o   25.614   0.3808   22.315 -180.0000  -0.42   0.00   0.00   0.00 
1 1 1    0    4   20 o   37.920   0.3139   25.266  180.000   0.23   0.00   0.00   0.00 
1 1 1    0    4   21 o   50.488   0.3550   62.176  -0.0000   0.22   0.00   0.00   0.00 
1 1 1    0    4   22 o   34.139   0.3149   35.694  180.000  -0.11   0.00   0.00   0.00 
1 1 1    0    4   23 o   29.034   0.3033   44.775  180.000  -0.15   0.00   0.00   0.00 
1 1 1    0    4   24 o   75.342   0.5161   58.505   0.0000   0.34   0.00   0.00   0.00 
1 1 1    0    4   25 o   22.709   0.3491   3.0752 -180.0000   0.04   0.00   0.00   0.00 
1 1 1    0    4   26 o   35.369   0.3250   52.910   0.0000  -0.09   0.00   0.00   0.00 
1 1 1    0    4   27 o   2.9496   1.1670   15.885   0.0000   0.04   0.00   0.00   0.00 
1 1 1    0    4   28 o   20.117   0.3733   14.996  180.000  -0.03   0.00   0.00   0.00 
1 1 1    0    4   29 f   15.476   0.5186   9.1565   0.0000  -0.09   0.00   0.00   0.00 
1 1 1    0    4   30 o   16.236   0.4522   4.0282   0.0000  -0.10   0.00   0.00   0.00 
1 1 1    0    4   31 f   30.275   0.4202   38.508  -0.0000  -0.20   0.00   0.00   0.00 
1 1 1    0    4   32 o   16.739   0.4223   20.111  180.000   0.14   0.00   0.00   0.00 
1 1 1    0    4   33 o   5.9498   0.9215   0.0580  180.000  -0.18   0.00   0.00   0.00 
1 1 1    0    4   34 o   16.395   0.4365   19.449  180.000   0.02   0.00   0.00   0.00 
1 1 1    0    4   35 o   0.0000   3.8079   2.7137  180.000   0.21   0.00   0.00   0.00 
1 1 1    0    4   36 o   29.902   0.3651   29.934   0.0000   1.13   0.00   0.00   0.00 
1 1 1    0    4   37 f   0.0000   3.7014   6.6101  180.000  -0.12   0.00   0.00   0.00 
1 1 1    0    4   38 f   4.4609   1.1245   7.6296  180.000  -0.41   0.00   0.00   0.00 
1 1 1    0    4   39 o   12.732   0.5166   11.461  180.000   0.60   0.00   0.00   0.00 
1 1 1    0    4   40 o   6.7380   1.0095   1.5129   0.0000   0.64   0.00   0.00   0.00 
1 1 1    0    4   41 o   4.5497   1.2264   4.7411  180.000  -0.30   0.00   0.00   0.00 
1 1 1    0    4   42 o   0.0000   3.6878   0.9641  180.000  -0.39   0.00   0.00   0.00 
1 1 1    0    4   43 o   7.6811   0.7445   8.1571  -0.0000   0.22   0.00   0.00   0.00 
1 1 1    0    4   44 o   1.9748   1.5647   5.6617   0.0000   0.28   0.00   0.00   0.00 
1 1 1    0    4   45 o   6.5192   1.3940   2.3288  180.000  -0.47   0.00   0.00   0.00 
1 1 1    0    6    0 o   50.043   0.4947   49.990 -180.0000   0.42   0.00   0.00   0.00 
1 1 1    0    6    1 o   6.7897   0.0801   11.986  180.000   0.05   0.00   0.00   0.00 
1 1 1    0    6    2 o   62.878   0.5479   56.976   0.0000  -1.02   0.00   0.00   0.00 
1 1 1    0    6    3 o   4.4159   0.1104   5.7332  180.000   0.00   0.00   0.00   0.00 
1 1 1    0    6    4 o   12.272   0.1529   13.785  180.000   0.16   0.00   0.00   0.00 
1 1 1    0    6    5 o   96.960   0.8313   88.124 -180.0000   0.86   0.00   0.00   0.00 
1 1 1    0    6    6 o  130.117   2.1369  133.711  180.000  -0.83   0.00   0.00   0.00 
1 1 1    0    6    8 o   22.474   0.3094   35.172   0.0000   0.04   0.00   0.00   0.00 
1 1 1    0    6    9 f   10.886   0.2073   8.5059   0.0000  -0.05   0.00   0.00   0.00 
1 1 1    0    6   10 o  150.814   1.2566  143.630   0.0000  -0.32   0.00   0.00   0.00 
1 1 1    0    6   11 o  119.156   0.7240  108.945   0.0000   0.36   0.00   0.00   0.00 
1 1 1    0    6   12 o   31.321   0.2628   48.654  180.000   0.07   0.00   0.00   0.00 
1 1 1    0    6   13 o   71.820   0.4669   94.067   0.0000   0.46   0.00   0.00   0.00 
1 1 1    0    6   14 o   72.800   0.4932   82.112  180.000   0.22   0.00   0.00   0.00 
1 1 1    0    6   15 f   39.245   0.3109   28.226  -0.0000  -0.51   0.00   0.00   0.00 
1 1 1    0    6   16 o   7.4565   0.4124   21.570   0.0000  -0.04   0.00   0.00   0.00 
1 1 1    0    6   17 o   39.296   0.3130   53.580   0.0000   0.63   0.00   0.00   0.00 
1 1 1    0    6   18 o   32.822   0.2974   29.919  180.000  -0.12   0.00   0.00   0.00 
1 1 1    0    6   19 o   70.172   0.4538   94.448  180.000  -0.15   0.00   0.00   0.00 
1 1 1    0    6   20 o   16.180   0.2943   32.010   0.0000   0.14   0.00   0.00   0.00 
1 1 1    0    6   21 o   49.358   0.3690   37.760  180.000  -0.42   0.00   0.00   0.00 
1 1 1    0    6   22 o   31.591   0.3212   42.959  180.000  -0.12   0.00   0.00   0.00 
1 1 1    0    6   23 o   35.300   0.3256   35.143  180.000  -0.03   0.00   0.00   0.00 
1 1 1    0    6   24 o   8.5907   0.5462   4.4223  180.000   0.00   0.00   0.00   0.00 
1 1 1    0    6   25 o   23.854   0.3511   2.6687  180.000   0.17   0.00   0.00   0.00 
1 1 1    0    6   26 o   67.223   0.4727   51.955   0.0000   0.14   0.00   0.00   0.00 
1 1 1    0    6   27 o   0.0000   3.3166   3.0962  -0.0000   0.02   0.00   0.00   0.00 
1 1 1    0    6   28 o   16.031   0.4518   21.239  180.000  -0.09   0.00   0.00   0.00 
1 1 1    0    6   29 o   7.9246   0.7779   15.734  180.000  -0.09   0.00   0.00   0.00 
1 1 1    0    6   30 f   44.697   0.3595   41.682   0.0000   0.64   0.00   0.00   0.00 
1 1 1    0    6   31 o   42.868   0.3643   39.093  -0.0000  -0.03   0.00   0.00   0.00 
1 1 1    0    6   32 o   25.221   0.3403   19.989   0.0000  -0.66   0.00   0.00   0.00 
1 1 1    0    6   33 o   40.540   0.3921   35.791   0.0000  -0.40   0.00   0.00   0.00 
1 1 1    0    6   34 o   0.0000   3.6606   5.1203  180.000   0.12   0.00   0.00   0.00 
1 1 1    0    6   35 f   11.059   0.5833   0.0499 -180.0000   0.03   0.00   0.00   0.00 
1 1 1    0    6   36 o   4.3012   1.1348   8.0701  180.000  -0.36   0.00   0.00   0.00 
1 1 1    0    6   37 o   0.0000   3.5214   1.4471  -0.0000   0.16   0.00   0.00   0.00 
1 1 1    0    6   38 o   8.2341   0.7536   10.024   0.0000   0.72   0.00   0.00   0.00 
1 1 1    0    6   39 o   17.032   0.4545   11.963  180.000   0.38   0.00   0.00   0.00 
1 1 1    0    6   40 o   3.1305   1.4451   2.7258  180.000  -0.32   0.00   0.00   0.00 
1 1 1    0    6   41 o   13.579   0.5617   8.0091  180.000  -1.52   0.00   0.00   0.00 
1 1 1    0    6   42 o   3.5355   1.2891   4.0226   0.0000   0.19   0.00   0.00   0.00 
1 1 1    0    6   43 o   0.0000   3.7815   0.7721   0.0000   0.12   0.00   0.00   0.00 
1 1 1    0    6   44 o   4.9092   1.2487   3.0521  180.000  -0.14   0.00   0.00   0.00 
1 1 1    0    8    1 f   45.858   0.3065   24.240  -0.0000  -0.01   0.00   0.00   0.00 
1 1 1    0    8    2 o   47.878   0.3504   40.767   0.0000   0.03   0.00   0.00   0.00 
1 1 1    0    8    3 o   85.066   0.7238   58.847   0.0000   1.07   0.00   0.00   0.00 
1 1 1    0    8    4 o   63.136   0.5028   65.705   0.0000   0.46   0.00   0.00   0.00 
1 1 1    0    8    5 o   45.625   0.3026   35.999  180.000  -0.47   0.00   0.00   0.00 
1 1 1    0    8    6 f   35.716   0.2585   6.1257   0.0000  -0.05   0.00   0.00   0.00 
1 1 1    0    8    7 f   24.684   0.2942   14.660  180.000   0.19   0.00   0.00   0.00 
1 1 1    0    8    8 o   7.4431   0.2090   13.880   0.0000  -0.01   0.00   0.00   0.00 
1 1 1    0    8    9 o   94.530   0.5689   93.627  180.000  -1.27   0.00   0.00   0.00 
1 1 1    0    8   10 o   77.458   0.4945   83.057  180.000  -0.05   0.00   0.00   0.00 
1 1 1    0    8   11 o   87.831   0.5504   87.480  -0.0000   0.78   0.00   0.00   0.00 
1 1 1    0    8   12 o   61.966   0.4335   52.380  180.000   0.24   0.00   0.00   0.00 
1 1 1    0    8   13 o   25.630   0.2588   10.617  180.000  -0.31   0.00   0.00   0.00 
1 1 1    0    8   14 o   43.489   0.3309   41.462   0.0000  -0.45   0.00   0.00   0.00 
1 1 1    0    8   15 o   45.987   0.3539   49.455  -0.0000   0.93   0.00   0.00   0.00 
1 1 1    0    8   16 o   12.787   0.3017   17.211  180.000   0.07   0.00   0.00   0.00 
1 1 1    0    8   17 o   7.2180   0.4553   10.852  180.000  -0.00   0.00   0.00   0.00 
1 1 1    0    8   18 o   31.667   0.2770   16.623  180.000  -0.04   0.00   0.00   0.00 
1 1 1    0    8   19 o   35.474   0.3531   15.389  180.000  -0.29   0.00   0.00   0.00 
1 1 1    0    8   20 o   27.662   0.2667   12.832   0.0000   0.02   0.00   0.00   0.00 
1 1 1    0    8   21 o   76.697   0.5058   66.285  180.000   0.12   0.00   0.00   0.00 
1 1 1    0    8   22 o   7.8994   0.5381   25.453   0.0000   0.01   0.00   0.00   0.00 
1 1 1    0    8   23 o   75.264   0.5101   77.285  180.000  -0.28   0.00   0.00   0.00 
1 1 1    0    8   24 o   32.067   0.3134   27.415  180.000  -0.14   0.00   0.00   0.00 
1 1 1    0    8   25 o   4.5826   0.8595   8.0211 -180.0000   0.03   0.00   0.00   0.00 
1 1 1    0    8   26 o   16.165   0.4366   34.194  180.000  -0.06   0.00   0.00   0.00 
1 1 1    0    8   27 f   11.781   0.5971   17.266  180.000   0.02   0.00   0.00   0.00 
1 1 1    0    8   28 o   5.4681   0.8999   8.7623  180.000   0.03   0.00   0.00   0.00 
1 1 1    0    8   29 f   0.0000   3.5637   18.575  180.000   0.01   0.00   0.00   0.00 
1 1 1    0    8   30 o   33.853   0.3638   33.781   0.0000   0.48   0.00   0.00   0.00 
1 1 1    0    8   31 o   55.353   0.4080   39.032  -0.0000  -1.62   0.00   0.00   0.00 
1 1 1    0    8   32 o   0.0000   3.6606   12.051   0.0000  -0.03   0.00   0.00   0.00 
1 1 1    0    8   33 o   26.777   0.3829   30.036  -0.0000   0.34   0.00   0.00   0.00 
1 1 1    0    8   34 o   14.412   0.4604   6.2688  180.000  -0.31   0.00   0.00   0.00 
1 1 1    0    8   35 o   3.7683   1.2710   11.930  180.000  -0.09   0.00   0.00   0.00 
1 1 1    0    8   36 o   0.8367   1.4677   4.3203  180.000   0.11   0.00   0.00   0.00 
1 1 1    0    8   37 o   0.0000   3.6469   6.1718  -0.0000   0.27   0.00   0.00   0.00 
1 1 1    0    8   38 f   7.0993   0.8331   3.1155  180.000  -0.19   0.00   0.00   0.00 
1 1 1    0    8   39 o   8.6660   0.7464   11.965  180.000  -1.03   0.00   0.00   0.00 
1 1 1    0    8   40 o   10.854   0.5849   11.945   0.0000   0.09   0.00   0.00   0.00 
1 1 1    0    8   41 o   0.0000   3.8730   2.0802  -0.0000   0.27   0.00   0.00   0.00 
1 1 1    0    8   42 o   2.0248   1.6939   6.0580   0.0000   0.07   0.00   0.00   0.00 
1 1 1    0    8   43 o   0.0000   3.8859   0.5374  180.000  -0.29   0.00   0.00   0.00 
1 1 1    0    8   44 o   6.7305   1.4401   5.6224  180.000   0.05   0.00   0.00   0.00 
1 1 1    0   10    0 o   31.883   0.3843   16.593 -180.0000  -0.15   0.00   0.00   0.00 
1 1 1    0   10    1 o   54.392   0.3380   64.835  -0.0000   0.48   0.00   0.00   0.00 
1 1 1    0   10    2 o   16.697   0.2041   3.1100  180.000   0.05   0.00   0.00   0.00 
1 1 1    0   10    3 o   46.746   0.3155   44.264  180.000  -0.22   0.00   0.00   0.00 
1 1 1    0   10    4 o   7.7717   0.1266   14.247   0.0000  -0.04   0.00   0.00   0.00 
1 1 1    0   10    5 o   41.111   0.2742   35.204  -0.0000   0.20   0.00   0.00   0.00 
1 1 1    0   10    6 f   27.957   0.2183   33.198   0.0000   0.43   0.00   0.00   0.00 
1 1 1    0   10    7 o   38.070   0.2712   48.670  -0.0000  -0.01   0.00   0.00   0.00 
1 1 1    0   10    8 o   31.738   0.2392   13.361  180.000  -0.62   0.00   0.00   0.00 
1 1 1    0   10    9 f   7.9875   0.2664   27.133   0.0000  -0.10   0.00   0.00   0.00 
1 1 1    0   10   10 o   2.7749   0.5226   5.8887  180.000   0.01   0.00   0.00   0.00 
1 1 1    0   10   11 o   60.806   0.4165   69.390  180.000   0.27   0.00   0.00   0.00 
1 1 1    0   10   12 o   68.897   0.4664   73.886  180.000  -1.07   0.00   0.00   0.00 
1 1 1    0   10   13 o   29.487   0.3701   43.194  180.000  -0.00   0.00   0.00   0.00 
1 1 1    0   10   14 o  129.324   0.7691  128.709   0.0000   1.31   0.00   0.00   0.00 
1 1 1    0   10   15 f   78.694   0.5358   70.026   0.0000   0.47   0.00   0.00   0.00 
1 1 1    0   10   16 f   88.924   0.5760   97.929  180.000  -0.73   0.00   0.00   0.00 
1 1 1    0   10   17 o   25.114   0.2562   28.124  -0.0000  -0.05   0.00   0.00   0.00 
1 1 1    0   10   18 o   8.9163   0.5335   20.690   0.0000   0.03   0.00   0.00   0.00 
1 1 1    0   10   19 o   48.198   0.3716   69.064  180.000  -0.18   0.00   0.00   0.00 
1 1 1    0   10   20 f   37.803   0.4444   33.884   0.0000   0.26   0.00   0.00   0.00 
1 1 1    0   10   21 o   22.414   0.2994   10.077  -0.0000   0.03   0.00   0.00   0.00 
1 1 1    0   10   22 f   30.285   0.3734   1.8809  180.000  -0.31   0.00   0.00   0.00 
1 1 1    0   10   23 o   56.599   0.4087   52.400  180.000  -0.04   0.00   0.00   0.00 
1 1 1    0   10   24 o   19.432   0.3413   22.744  180.000  -0.04   0.00   0.00   0.00 
1 1 1    0   10   25 f   2.3452   1.3045   8.8472  180.000   0.01   0.00   0.00   0.00 
1 1 1    0   10   26 o   23.677   0.3352   27.938  180.000  -0.09   0.00   0.00   0.00 
1 1 1    0   10   27 f   12.280   0.4589   1.1616   0.0000   0.07   0.00   0.00   0.00 
1 1 1    0   10   28 o   17.947   0.3578   11.012   0.0000   0.35   0.00   0.00   0.00 
1 1 1    0   10   29 o   9.6385   0.5303   5.4309  180.000  -0.12   0.00   0.00   0.00 
1 1 1    0   10   30 o   6.8702   0.7504   12.155  180.000  -0.05   0.00   0.00   0.00 
1 1 1    0   10   31 f   2.4495   1.3956   1.6803  -0.0000   0.01   0.00   0.00   0.00 
1 1 1    0   10   32 o   11.752   0.5132   2.7328   0.0000   0.08   0.00   0.00   0.00 
1 1 1    0   10   33 o   7.1274   0.7169   5.8279  -0.0000  -0.16   0.00   0.00   0.00 
1 1 1    0   10   34 o   2.4290   1.3915   0.2832  180.000  -0.11   0.00   0.00   0.00 
1 1 1    0   10   35 o   1.3416   1.5036   1.7975   0.0000   0.12   0.00   0.00   0.00 
1 1 1    0   10   36 o   3.1781   1.3586   0.2358  180.000  -0.03   0.00   0.00   0.00 
1 1 1    0   10   37 f   2.9326   1.3870   2.5368   0.0000  -0.12   0.00   0.00   0.00 
1 1 1    0   10   38 o   0.0000   3.4351   0.5852  180.000  -0.02   0.00   0.00   0.00 
1 1 1    0   10   39 o   7.9812   0.7733   9.3920  180.000   0.59   0.00   0.00   0.00 
1 1 1    0   10   40 o   8.3066   0.7076   7.4736   0.0000   1.39   0.00   0.00   0.00 
1 1 1    0   10   41 o   10.095   0.5887   10.851  180.000  -0.55   0.00   0.00   0.00 
1 1 1    0   10   42 o   3.7014   1.4405   4.4506  180.000  -0.46   0.00   0.00   0.00 
1 1 1    0   10   43 o   11.489   0.9939   5.3520   0.0000  -0.20   0.00   0.00   0.00 
1 1 1    0   12    0 o   8.6023   0.2430   3.7602  -0.0000  -0.04   0.00   0.00   0.00 
1 1 1    0   12    1 o   15.388   0.1480   11.360 -180.0000   0.07   0.00   0.00   0.00 
1 1 1    0   12    2 f   18.596   0.1547   3.6417  180.000  -0.20   0.00   0.00   0.00 
1 1 1    0   12    3 o   52.372   0.3273   46.820  180.000  -0.87   0.00   0.00   0.00 
1 1 1    0   12    4 o   56.196   0.3484   42.117   0.0000   1.26   0.00   0.00   0.00 
1 1 1    0   12    5 o   28.511   0.2124   14.197 -180.0000   0.57   0.00   0.00   0.00 
1 1 1    0   12    6 o   9.5812   0.1742   1.6822   0.0000  -0.05   0.00   0.00   0.00 
1 1 1    0   12    7 o   31.366   0.2656   39.790   0.0000  -0.30   0.00   0.00   0.00 
1 1 1    0   12    8 o   4.9900   0.2297   8.8037   0.0000   0.02   0.00   0.00   0.00 
1 1 1    0   12    9 o   4.3128   0.3127   2.7696   0.0000   0.01   0.00   0.00   0.00 
1 1 1    0   12   10 o   74.080   0.4655   62.858  180.000  -0.39   0.00   0.00   0.00 
1 1 1    0   12   11 o  113.775   0.6875  112.282  180.000  -0.64   0.00   0.00   0.00 
1 1 1    0   12   12 o   45.830   0.3637   43.726   0.0000  -0.04   0.00   0.00   0.00 
1 1 1    0   12   13 o   86.163   0.5432   92.750   0.0000   0.63   0.00   0.00   0.00 
1 1 1    0   12   14 f   43.467   0.3322   27.511  180.000  -0.13   0.00   0.00   0.00 
1 1 1    0   12   15 o   27.148   0.2681   33.967  -0.0000  -0.09   0.00   0.00   0.00 
1 1 1    0   12   16 o   11.323   0.2800   1.5612   0.0000   0.04   0.00   0.00   0.00 
1 1 1    0   12   17 o   45.020   0.3515   29.217  -0.0000   0.13   0.00   0.00   0.00 
1 1 1    0   12   18 o   40.943   0.3331   23.074   0.0000   0.18   0.00   0.00   0.00 
1 1 1    0   12   19 o  131.796   0.7968  118.009  180.000  -0.59   0.00   0.00   0.00 
1 1 1    0   12   20 o   0.0000   2.9155   0.9598   0.0000  -0.00   0.00   0.00   0.00 
1 1 1    0   12   21 o   43.117   0.3622   37.832  -0.0000  -0.08   0.00   0.00   0.00 
1 1 1    0   12   22 o   19.355   0.3077   1.2986   0.0000  -0.02   0.00   0.00   0.00 
1 1 1    0   12   23 o   45.115   0.3606   52.257  -0.0000   0.35   0.00   0.00   0.00 
1 1 1    0   12   24 o   0.0000   3.1623   4.2556   0.0000  -0.01   0.00   0.00   0.00 
1 1 1    0   12   25 o   38.087   0.3422   29.211   0.0000  -0.15   0.00   0.00   0.00 
1 1 1    0   12   26 o   10.232   0.5378   20.011  180.000   0.01   0.00   0.00   0.00 
1 1 1    0   12   27 o   28.808   0.3362   17.538  180.000  -0.04   0.00   0.00   0.00 
1 1 1    0   12   28 o   7.6551   0.6315   5.4055   0.0000   0.04   0.00   0.00   0.00 
1 1 1    0   12   29 o   30.979   0.3668   31.200  180.000  -0.43   0.00   0.00   0.00 
1 1 1    0   12   30 f   1.8708   1.3849   4.9791  180.000   0.12   0.00   0.00   0.00 
1 1 1    0   12   31 o   29.351   0.3302   27.600  -0.0000   0.96   0.00   0.00   0.00 
1 1 1    0   12   32 o   10.129   0.5825   7.3447   0.0000  -0.54   0.00   0.00   0.00 
1 1 1    0   12   33 o   2.8284   1.2530   8.7571  180.000  -0.09   0.00   0.00   0.00 
1 1 1    0   12   34 o   0.0000   3.3615   6.3984  180.000  -0.00   0.00   0.00   0.00 
1 1 1    0   12   35 o   2.9496   1.3171   6.0720   0.0000  -0.02   0.00   0.00   0.00 
1 1 1    0   12   36 o   0.0000   3.5496   1.4945   0.0000  -0.16   0.00   0.00   0.00 
1 1 1    0   12   37 o   0.0000   3.4929   2.5993   0.0000   0.04   0.00   0.00   0.00 
1 1 1    0   12   38 o   4.9598   1.0791   6.8776   0.0000   0.61   0.00   0.00   0.00 
1 1 1    0   12   39 o   10.844   0.5563   5.5306  180.000   0.50   0.00   0.00   0.00 
1 1 1    0   12   40 o   5.6391   1.0586   6.7964  180.000  -0.27   0.00   0.00   0.00 
1 1 1    0   12   41 o   7.9120   1.0220   12.883  180.000  -0.57   0.00   0.00   0.00 
1 1 1    0   14    0 o  106.740   1.7474  115.454   0.0000  -0.07   0.00   0.00   0.00 
1 1 1    0   14    1 o   45.417   0.3377   15.207  180.000  -0.24   0.00   0.00   0.00 
1 1 1    0   14    2 o   8.7407   0.1793   9.8122  180.000  -0.03   0.00   0.00   0.00 
1 1 1    0   14    3 o   8.9554   0.1320   27.535  -0.0000   0.01   0.00   0.00   0.00 
1 1 1    0   14    4 o   3.8987   0.1718   6.5619   0.0000   0.01   0.00   0.00   0.00 
1 1 1    0   14    5 o   11.554   0.2374   15.544 -180.0000  -0.08   0.00   0.00   0.00 
1 1 1    0   14    6 f   96.004   0.7421  102.214   0.0000   0.08   0.00   0.00   0.00 
1 1 1    0   14    7 o   9.0388   0.1683   16.428  -0.0000   0.10   0.00   0.00   0.00 
1 1 1    0   14    8 o   7.4632   0.2588   9.6620   0.0000   0.05   0.00   0.00   0.00 
1 1 1    0   14    9 o   75.346   0.4676  103.192  180.000  -0.25   0.00   0.00   0.00 
1 1 1    0   14   10 o  115.863   0.7529  116.192  180.000  -0.77   0.00   0.00   0.00 
1 1 1    0   14   11 o   7.4565   0.2716   10.360  180.000   0.01   0.00   0.00   0.00 
1 1 1    0   14   12 o   36.904   0.2864   23.580  180.000  -0.00   0.00   0.00   0.00 
1 1 1    0   14   13 o   17.416   0.2155   16.544  -0.0000  -0.06   0.00   0.00   0.00 
1 1 1    0   14   14 o   65.016   0.4369   77.514  180.000  -0.17   0.00   0.00   0.00 
1 1 1    0   14   15 o   44.784   0.3369   42.275  -0.0000   0.32   0.00   0.00   0.00 
1 1 1    0   14   16 o   36.966   0.2965   34.571   0.0000   0.27   0.00   0.00   0.00 
1 1 1    0   14   17 o   7.1134   0.4488   13.419 -180.0000  -0.04   0.00   0.00   0.00 
1 1 1    0   14   18 o   3.9497   0.7534   0.6380  180.000   0.00   0.00   0.00   0.00 
1 1 1    0   14   19 o   33.785   0.3167   30.793   0.0000  -0.16   0.00   0.00   0.00 
1 1 1    0   14   20 o   40.935   0.3440   43.064   0.0000   0.04   0.00   0.00   0.00 
1 1 1    0   14   21 o   15.550   0.3858   45.762  -0.0000   0.17   0.00   0.00   0.00 
1 1 1    0   14   22 f   34.097   0.3153   27.017  180.000  -0.23   0.00   0.00   0.00 
1 1 1    0   14   23 o   33.916   0.2938   26.304  -0.0000  -0.13   0.00   0.00   0.00 
1 1 1    0   14   24 o   7.6942   0.5787   13.884   0.0000  -0.04   0.00   0.00   0.00 
1 1 1    0   14   25 o   13.885   0.3819   8.1005  180.000   0.02   0.00   0.00   0.00 
1 1 1    0   14   26 o   1.4142   1.3335   0.0073   0.0000   0.02   0.00   0.00   0.00 
1 1 1    0   14   27 o   5.1672   0.7820   0.3008  180.000  -0.15   0.00   0.00   0.00 
1 1 1    0   14   28 o   9.4446   0.5258   9.2921  180.000   0.09   0.00   0.00   0.00 
1 1 1    0   14   29 o   8.0374   0.6004   5.3968  180.000   0.19   0.00   0.00   0.00 
1 1 1    0   14   30 o   8.9051   0.5985   16.219   0.0000   0.22   0.00   0.00   0.00 
1 1 1    0   14   31 f   4.2779   1.0073   3.9890 -180.0000  -0.10   0.00   0.00   0.00 
1 1 1    0   14   32 o   4.8990   0.9290   3.5952   0.0000  -0.22   0.00   0.00   0.00 
1 1 1    0   14   33 o   0.0000   3.3615   4.1559   0.0000   0.13   0.00   0.00   0.00 
1 1 1    0   14   34 o   0.0000   3.3015   2.1866  180.000   0.04   0.00   0.00   0.00 
1 1 1    0   14   35 o   11.628   0.5182   9.6760   0.0000  -0.43   0.00   0.00   0.00 
1 1 1    0   14   36 o   8.8769   0.6149   11.166  180.000  -0.51   0.00   0.00   0.00 
1 1 1    0   14   37 f   7.7071   0.7370   5.6393  -0.0000   0.03   0.00   0.00   0.00 
1 1 1    0   14   38 o   3.5637   1.2181   5.7271   0.0000   0.10   0.00   0.00   0.00 
1 1 1    0   14   39 o   9.4499   0.6795   10.421  180.000  -0.42   0.00   0.00   0.00 
1 1 1    0   14   40 o   5.2820   1.2608   1.0099  180.000   0.21   0.00   0.00   0.00 
1 1 1    0   16    0 f   17.745   0.4906   44.710  -0.0000  -0.03   0.00   0.00   0.00 
1 1 1    0   16    1 o   32.879   0.2340   28.922 -180.0000  -0.18   0.00   0.00   0.00 
1 1 1    0   16    2 o  109.589   1.3110   92.145   0.0000   0.35   0.00   0.00   0.00 
1 1 1    0   16    3 o   33.205   0.2985   46.593  180.000  -0.10   0.00   0.00   0.00 
1 1 1    0   16    4 o   34.177   0.2411   21.195  180.000  -0.18   0.00   0.00   0.00 
1 1 1    0   16    5 o   20.236   0.1909   11.106  -0.0000   0.02   0.00   0.00   0.00 
1 1 1    0   16    6 o   3.6056   0.2702   26.653   0.0000   0.02   0.00   0.00   0.00 
1 1 1    0   16    7 o   27.788   0.2143   21.261 -180.0000   0.05   0.00   0.00   0.00 
1 1 1    0   16    8 o   6.0581   0.2685   25.259  180.000  -0.02   0.00   0.00   0.00 
1 1 1    0   16    9 o   29.278   0.2355   31.419   0.0000   0.04   0.00   0.00   0.00 
1 1 1    0   16   10 o   46.307   0.3228   22.144  180.000   0.15   0.00   0.00   0.00 
1 1 1    0   16   11 f   0.0000   1.9494   2.5773  180.000   0.00   0.00   0.00   0.00 
1 1 1    0   16   12 o   44.067   0.3679   45.415  180.000  -0.40   0.00   0.00   0.00 
1 1 1    0   16   13 o   4.3818   0.5353   5.3388  -0.0000  -0.01   0.00   0.00   0.00 
1 1 1    0   16   14 o   26.021   0.2512   7.8470  180.000   0.11   0.00   0.00   0.00 
1 1 1    0   16   15 o   25.076   0.2741   48.693  180.000  -0.06   0.00   0.00   0.00 
1 1 1    0   16   16 o   10.844   0.3526   16.945  180.000   0.01   0.00   0.00   0.00 
1 1 1    0   16   17 o   33.323   0.2930   32.531  180.000  -0.12   0.00   0.00   0.00 
1 1 1    0   16   18 o   52.982   0.4325   56.756  180.000   0.35   0.00   0.00   0.00 
1 1 1    0   16   19 o   83.397   0.5367   83.926  -0.0000   0.86   0.00   0.00   0.00 
1 1 1    0   16   20 o   2.4698   1.0769   3.0746  180.000  -0.00   0.00   0.00   0.00 
1 1 1    0   16   21 o   0.0000   2.7749   3.4684 -180.0000  -0.00   0.00   0.00   0.00 
1 1 1    0   16   22 o   27.794   0.2884   27.010   0.0000  -0.63   0.00   0.00   0.00 
1 1 1    0   16   23 o   0.0000   2.8284   3.8051   0.0000   0.02   0.00   0.00   0.00 
1 1 1    0   16   24 o   18.732   0.3150   9.7414   0.0000   0.31   0.00   0.00   0.00 
1 1 1    0   16   25 o   13.019   0.3732   6.5562 -180.0000  -0.12   0.00   0.00   0.00 
1 1 1    0   16   26 f   3.9623   0.9207   9.9702   0.0000  -0.03   0.00   0.00   0.00 
1 1 1    0   16   27 o   14.262   0.3656   8.8547  180.000  -0.45   0.00   0.00   0.00 
1 1 1    0   16   28 f   4.5607   0.9077   1.4373   0.0000   0.12   0.00   0.00   0.00 
1 1 1    0   16   29 o   0.0000   3.0822   6.2051  180.000   0.00   0.00   0.00   0.00 
1 1 1    0   16   30 o   6.0581   0.7184   3.4541  180.000  -0.21   0.00   0.00   0.00 
1 1 1    0   16   31 o   2.8810   1.1540   3.1414   0.0000   0.14   0.00   0.00   0.00 
1 1 1    0   16   32 o   6.2290   0.7603   4.8275   0.0000   0.29   0.00   0.00   0.00 
1 1 1    0   16   33 o   20.154   0.3487   21.191  -0.0000   0.50   0.00   0.00   0.00 
1 1 1    0   16   34 o   10.114   0.5479   8.9674  180.000  -0.49   0.00   0.00   0.00 
1 1 1    0   16   35 f   9.9649   0.5955   5.8918   0.0000  -0.43   0.00   0.00   0.00 
1 1 1    0   16   36 o   2.5298   1.3746   5.1177   0.0000  -0.05   0.00   0.00   0.00 
1 1 1    0   16   37 o   6.3640   0.8704   3.5546  180.000  -0.13   0.00   0.00   0.00 
1 1 1    0   16   38 o   3.1937   1.6075   1.6558  180.000  -0.03   0.00   0.00   0.00 
1 1 1    0   18    0 o   85.649   0.7058   71.233   0.0000   0.10   0.00   0.00   0.00 
1 1 1    0   18    1 o   19.802   0.2049   20.036  180.000   0.03   0.00   0.00   0.00 
1 1 1    0   18    2 o   23.139   0.2289   12.939  180.000  -0.02   0.00   0.00   0.00 
1 1 1    0   18    3 o   3.4496   0.3769   17.301 -180.0000  -0.02   0.00   0.00   0.00 
1 1 1    0   18    4 o   40.190   0.2768   41.574   0.0000  -0.01   0.00   0.00   0.00 
1 1 1    0   18    5 o   69.163   0.4239   87.601  -0.0000   0.10   0.00   0.00   0.00 
1 1 1    0   18    6 o   8.9610   0.1965   8.3098  180.000  -0.03   0.00   0.00   0.00 
1 1 1    0   18    7 o   30.101   0.2308   32.716  180.000  -0.10   0.00   0.00   0.00 
1 1 1    0   18    8 o   49.961   0.3459   38.763   0.0000   0.22   0.00   0.00   0.00 
1 1 1    0   18    9 o   40.360   0.3719   49.402  -0.0000   0.49   0.00   0.00   0.00 
1 1 1    0   18   10 o   84.971   0.5164   86.647  180.000   0.05   0.00   0.00   0.00 
1 1 1    0   18   11 o   15.928   0.3200   24.420  -0.0000  -0.10   0.00   0.00   0.00 
1 1 1    0   18   12 o   13.259   0.2806   12.843   0.0000  -0.06   0.00   0.00   0.00 
1 1 1    0   18   13 o   93.878   0.5749   92.196  180.000   0.13   0.00   0.00   0.00 
1 1 1    0   18   14 o   6.4187   0.4161   1.2376   0.0000  -0.01   0.00   0.00   0.00 
1 1 1    0   18   15 o   9.2250   0.3092   12.752  -0.0000  -0.08   0.00   0.00   0.00 
1 1 1    0   18   16 o   0.0000   2.4290   0.0385  180.000   0.01   0.00   0.00   0.00 
1 1 1    0   18   17 o   4.4272   0.5840   9.5051   0.0000   0.01   0.00   0.00   0.00 
1 1 1    0   18   18 o   17.231   0.2714   14.557   0.0000   0.05   0.00   0.00   0.00 
1 1 1    0   18   19 o   3.9497   0.6909   7.6486   0.0000   0.03   0.00   0.00   0.00 
1 1 1    0   18   20 o   26.591   0.2828   28.732  180.000  -0.42   0.00   0.00   0.00 
1 1 1    0   18   21 o   10.144   0.3615   13.580  180.000   0.07   0.00   0.00   0.00 
1 1 1    0   18   22 o   16.649   0.2979   17.857   0.0000   0.11   0.00   0.00   0.00 
1 1 1    0   18   23 o   3.7683   0.8306   0.1950  -0.0000   0.03   0.00   0.00   0.00 
1 1 1    0   18   24 o   8.1548   0.5125   3.9557   0.0000   0.03   0.00   0.00   0.00 
1 1 1    0   18   25 o   11.050   0.4183   13.075  180.000  -0.44   0.00   0.00   0.00 
1 1 1    0   18   26 o   11.305   0.3930   8.3458  180.000   0.19   0.00   0.00   0.00 
1 1 1    0   18   27 o   2.8810   1.0858   0.8704  180.000   0.01   0.00   0.00   0.00 
1 1 1    0   18   28 o   6.4730   0.6179   4.9996  180.000  -0.17   0.00   0.00   0.00 
1 1 1    0   18   29 o   9.4074   0.4509   7.4423  180.000  -0.14   0.00   0.00   0.00 
1 1 1    0   18   30 o   3.7550   0.9597   5.1775   0.0000   0.14   0.00   0.00   0.00 
1 1 1    0   18   31 o   7.5565   0.6047   7.4467   0.0000   0.60   0.00   0.00   0.00 
1 1 1    0   18   32 o   4.0866   0.9975   1.6925   0.0000  -0.32   0.00   0.00   0.00 
1 1 1    0   18   33 o   12.748   0.4469   11.661  -0.0000  -0.45   0.00   0.00   0.00 
1 1 1    0   18   34 o   0.0000   3.3317   1.4738  180.000   0.15   0.00   0.00   0.00 
1 1 1    0   18   35 f   9.8995   0.5585   11.390  -0.0000   0.38   0.00   0.00   0.00 
1 1 1    0   18   36 o   4.4045   1.3921   1.2698   0.0000  -0.05   0.00   0.00   0.00 
1 1 1    0   20    0 o   33.064   0.3383   21.926 -180.0000   0.25   0.00   0.00   0.00 
1 1 1    0   20    1 o   15.215   0.1690   4.5155   0.0000  -0.15   0.00   0.00   0.00 
1 1 1    0   20    2 o   0.0000   1.6125   6.2067  180.000  -0.01   0.00   0.00   0.00 
1 1 1    0   20    3 o   16.700   0.1865   27.882  -0.0000   0.07   0.00   0.00   0.00 
1 1 1    0   20    4 f   39.407   0.3009   21.471   0.0000  -0.03   0.00   0.00   0.00 
1 1 1    0   20    5 o   18.158   0.2257   17.106  180.000  -0.15   0.00   0.00   0.00 
1 1 1    0   20    6 o   53.879   0.3531   16.967  180.000  -0.17   0.00   0.00   0.00 
1 1 1    0   20    7 o   4.7854   0.2574   7.8399 -180.0000   0.01   0.00   0.00   0.00 
1 1 1    0   20    8 o   7.0427   0.2068   9.3596   0.0000   0.02   0.00   0.00   0.00 
1 1 1    0   20    9 o   6.7602   0.2288   1.1055   0.0000   0.05   0.00   0.00   0.00 
1 1 1    0   20   10 o   17.804   0.1972   20.797   0.0000  -0.01   0.00   0.00   0.00 
1 1 1    0   20   11 o   50.151   0.3534   41.741  -0.0000   0.14   0.00   0.00   0.00 
1 1 1    0   20   12 o   18.762   0.2212   27.219  180.000   0.02   0.00   0.00   0.00 
1 1 1    0   20   13 o   51.971   0.3687   42.726  180.000  -0.32   0.00   0.00   0.00 
1 1 1    0   20   14 o   40.731   0.3155   35.851   0.0000   0.03   0.00   0.00   0.00 
1 1 1    0   20   15 o   25.253   0.2509   22.950  180.000  -0.29   0.00   0.00   0.00 
1 1 1    0   20   16 o   9.0885   0.2775   5.8494   0.0000   0.05   0.00   0.00   0.00 
1 1 1    0   20   17 o   10.310   0.2831   13.244  -0.0000  -0.00   0.00   0.00   0.00 
1 1 1    0   20   18 o   20.543   0.2572   24.427   0.0000  -0.29   0.00   0.00   0.00 
1 1 1    0   20   19 o   6.0581   0.4803   4.3805   0.0000   0.12   0.00   0.00   0.00 
1 1 1    0   20   20 o   13.472   0.2799   23.711  180.000   0.20   0.00   0.00   0.00 
1 1 1    0   20   21 o   7.4699   0.4535   13.839   0.0000   0.11   0.00   0.00   0.00 
1 1 1    0   20   22 o   11.305   0.3432   9.4519  180.000  -0.27   0.00   0.00   0.00 
1 1 1    0   20   23 o   2.2583   0.9892   3.9394  180.000  -0.11   0.00   0.00   0.00 
1 1 1    0   20   24 o   1.3038   1.1966   2.1456  180.000   0.07   0.00   0.00   0.00 
1 1 1    0   20   25 o   2.2136   1.0559   5.9116  180.000   0.03   0.00   0.00   0.00 
1 1 1    0   20   26 o   2.6458   1.0089   3.4417   0.0000   0.14   0.00   0.00   0.00 
1 1 1    0   20   27 o   10.075   0.4098   8.1532  180.000  -0.40   0.00   0.00   0.00 
1 1 1    0   20   28 o   5.6303   0.6631   1.3945  180.000  -0.44   0.00   0.00   0.00 
1 1 1    0   20   29 o   5.8566   0.6973   4.3156   0.0000   0.38   0.00   0.00   0.00 
1 1 1    0   20   30 o   3.4641   1.0632   4.8409   0.0000   0.07   0.00   0.00   0.00 
1 1 1    0   20   31 o   1.7321   1.3008   0.8234  -0.0000  -0.14   0.00   0.00   0.00 
1 1 1    0   20   32 o   7.0569   0.6465   5.0978  180.000  -0.22   0.00   0.00   0.00 
1 1 1    0   20   33 o   5.4037   0.8874   2.4459   0.0000   0.31   0.00   0.00   0.00 
1 1 1    0   22    0 o   4.7117   0.3817   1.4149  -0.0000   0.01   0.00   0.00   0.00 
1 1 1    0   22    1 o   3.8341   0.3346   4.2418   0.0000  -0.03   0.00   0.00   0.00 
1 1 1    0   22    2 o   19.857   0.1871   18.349  180.000   0.11   0.00   0.00   0.00 
1 1 1    0   22    3 o   7.1274   0.2045   5.2054 -180.0000   0.04   0.00   0.00   0.00 
1 1 1    0   22    4 o   13.180   0.1685   5.8486   0.0000  -0.08   0.00   0.00   0.00 
1 1 1    0   22    5 o   6.6106   0.2266   2.5045  -0.0000  -0.04   0.00   0.00   0.00 
1 1 1    0   22    6 o   34.632   0.2537   28.026   0.0000  -0.01   0.00   0.00   0.00 
1 1 1    0   22    7 o   14.876   0.1793   31.198  180.000  -0.10   0.00   0.00   0.00 
1 1 1    0   22    8 o   10.909   0.2069   7.9801   0.0000  -0.20   0.00   0.00   0.00 
1 1 1    0   22    9 o   1.0000   0.6395   6.6257  -0.0000   0.03   0.00   0.00   0.00 
1 1 1    0   22   10 o   4.4045   0.2971   2.2001  180.000   0.11   0.00   0.00   0.00 
1 1 1    0   22   11 o   7.1624   0.2429   4.5095   0.0000   0.03   0.00   0.00   0.00 
1 1 1    0   22   12 f   7.7846   0.2669   7.8804  180.000  -0.05   0.00   0.00   0.00 
1 1 1    0   22   13 o   19.066   0.2204   11.855  -0.0000  -0.31   0.00   0.00   0.00 
1 1 1    0   22   14 o   3.5214   0.6194   5.3219   0.0000   0.04   0.00   0.00   0.00 
1 1 1    0   22   15 o   6.7971   0.2890   14.910  180.000  -0.13   0.00   0.00   0.00 
1 1 1    0   22   16 o   13.874   0.2304   3.0378  180.000  -0.02   0.00   0.00   0.00 
1 1 1    0   22   17 o   9.0664   0.2781   12.757  -0.0000   0.03   0.00   0.00   0.00 
1 1 1    0   22   18 f   1.6125   0.8720   3.5349   0.0000  -0.08   0.00   0.00   0.00 
1 1 1    0   22   19 o   11.340   0.2922   8.0510  180.000   0.53   0.00   0.00   0.00 
1 1 1    0   22   20 o   5.0000   0.5061   0.1118   0.0000   0.08   0.00   0.00   0.00 
1 1 1    0   22   21 o   4.1952   0.6352   5.4171  180.000  -0.14   0.00   0.00   0.00 
1 1 1    0   22   22 o   14.744   0.2926   14.009  180.000  -0.26   0.00   0.00   0.00 
1 1 1    0   22   23 o   0.8367   1.1260   0.7922   0.0000  -0.01   0.00   0.00   0.00 
1 1 1    0   22   24 o   12.498   0.3198   10.885   0.0000   1.03   0.00   0.00   0.00 
1 1 1    0   22   25 o   0.0000   2.7568   1.1606 -180.0000  -0.03   0.00   0.00   0.00 
1 1 1    0   22   26 o   5.8566   0.5940   1.1174   0.0000  -0.29   0.00   0.00   0.00 
1 1 1    0   22   27 o   2.0976   1.1231   2.3453  180.000  -0.02   0.00   0.00   0.00 
1 1 1    0   22   28 o   3.7947   0.8700   0.3732  180.000   0.04   0.00   0.00   0.00 
1 1 1    0   22   29 o   3.7683   0.8480   1.9919  -0.0000   0.07   0.00   0.00   0.00 
1 1 1    0   22   30 o   8.3247   0.7063   4.7366   0.0000  -0.24   0.00   0.00   0.00 
1 1 1    0   24    0 o   18.849   0.2745   16.170  -0.0000   0.42   0.00   0.00   0.00 
1 1 1    0   24    1 o   17.050   0.1799   11.044  -0.0000   0.17   0.00   0.00   0.00 
1 1 1    0   24    2 o   8.6948   0.2023   2.6543  180.000  -0.22   0.00   0.00   0.00 
1 1 1    0   24    3 o   7.5631   0.2121   5.3526  -0.0000   0.02   0.00   0.00   0.00 
1 1 1    0   24    4 o   18.786   0.1793   15.494   0.0000   0.28   0.00   0.00   0.00 
1 1 1    0   24    5 o   2.7749   0.4049   6.0047  -0.0000  -0.01   0.00   0.00   0.00 
1 1 1    0   24    6 o   1.6733   0.6048   1.0306  180.000  -0.02   0.00   0.00   0.00 
1 1 1    0   24    7 f   1.2649   0.6759   2.1868  180.000  -0.02   0.00   0.00   0.00 
1 1 1    0   24    8 o   6.1156   0.2586   5.2540   0.0000  -0.17   0.00   0.00   0.00 
1 1 1    0   24    9 f   1.8974   0.5673   3.8421  180.000   0.06   0.00   0.00   0.00 
1 1 1    0   24   10 o   19.391   0.2066   14.218  180.000   0.71   0.00   0.00   0.00 
1 1 1    0   24   11 f   8.5615   0.2219   3.3678  180.000  -0.13   0.00   0.00   0.00 
1 1 1    0   24   12 o   11.234   0.2011   2.9162  180.000  -0.01   0.00   0.00   0.00 
1 1 1    0   24   13 o   11.086   0.2124   11.453  -0.0000   0.04   0.00   0.00   0.00 
1 1 1    0   24   14 o   11.975   0.2254   6.3044   0.0000   0.33   0.00   0.00   0.00 
1 1 1    0   24   15 o   18.259   0.2298   8.3295  -0.0000  -0.31   0.00   0.00   0.00 
1 1 1    0   24   16 o   8.8882   0.3358   7.1365   0.0000  -0.34   0.00   0.00   0.00 
1 1 1    0   24   17 f   11.014   0.2572   6.1966  180.000   0.07   0.00   0.00   0.00 
1 1 1    0   24   18 o   0.0000   2.1909   3.0045  180.000  -0.07   0.00   0.00   0.00 
1 1 1    0   24   19 o   0.0000   2.1679   0.3326 -180.0000   0.05   0.00   0.00   0.00 
1 1 1    0   24   20 o   0.0000   2.3022   7.5366   0.0000   0.09   0.00   0.00   0.00 
1 1 1    0   24   21 o   6.6182   0.4184   13.065  180.000  -0.10   0.00   0.00   0.00 
1 1 1    0   24   22 o   8.4202   0.3640   7.9378  180.000  -0.01   0.00   0.00   0.00 
1 1 1    0   24   23 o   3.3015   0.7684   4.1528  180.000  -0.05   0.00   0.00   0.00 
1 1 1    0   24   24 o   0.0000   2.5884   1.2037  180.000   0.03   0.00   0.00   0.00 
1 1 1    0   24   25 o   2.7568   0.9228   3.6079  180.000  -0.09   0.00   0.00   0.00 
1 1 1    0   24   26 o   5.0498   0.6526   1.5409   0.0000   0.05   0.00   0.00   0.00 
1 1 1    0   26    0 o   2.9496   0.5842   5.4828  -0.0000   0.05   0.00   0.00   0.00 
1 1 1    0   26    1 o   0.9487   0.7386   3.9124   0.0000  -0.06   0.00   0.00   0.00 
1 1 1    0   26    2 o   6.4420   0.2249   0.4118  180.000  -0.15   0.00   0.00   0.00 
1 1 1    0   26    3 o   17.012   0.1861   22.556  -0.0000   0.72   0.00   0.00   0.00 
1 1 1    0   26    4 o   2.0000   0.4896   7.6593   0.0000   0.05   0.00   0.00   0.00 
1 1 1    0   26    5 o   10.668   0.1616   6.5215  -0.0000  -0.13   0.00   0.00   0.00 
1 1 1    0   26    6 o   7.5697   0.2120   12.121  180.000  -0.07   0.00   0.00   0.00 
1 1 1    0   26    7 o   1.3038   0.6994   0.2588  180.000  -0.00   0.00   0.00   0.00 
1 1 1    0   26    8 o   0.9487   0.7665   1.3658  180.000  -0.09   0.00   0.00   0.00 
1 1 1    0   26    9 o   8.7807   0.1895   11.011  180.000  -0.07   0.00   0.00   0.00 
1 1 1    0   26   10 o   9.0056   0.1956   10.315   0.0000   0.50   0.00   0.00   0.00 
1 1 1    0   26   11 o   2.2804   0.6057   4.0678  -0.0000  -0.01   0.00   0.00   0.00 
1 1 1    0   26   12 o   2.6646   0.4717   0.6748   0.0000   0.04   0.00   0.00   0.00 
1 1 1    0   26   13 o   8.4143   0.2312   7.4613  180.000   0.08   0.00   0.00   0.00 
1 1 1    0   26   14 o   1.4832   0.7676   0.6742   0.0000   0.03   0.00   0.00   0.00 
1 1 1    0   26   15 o   5.1088   0.3815   4.5138  -0.0000  -0.06   0.00   0.00   0.00 
1 1 1    0   26   16 o   0.0000   2.1213   5.4661  180.000  -0.04   0.00   0.00   0.00 
1 1 1    0   26   17 o   2.7019   0.6658   5.5413   0.0000   0.09   0.00   0.00   0.00 
1 1 1    0   26   18 o   9.7314   0.3375   6.7455   0.0000  -0.49   0.00   0.00   0.00 
1 1 1    0   26   19 o   3.3317   0.6121   3.6089  -0.0000  -0.00   0.00   0.00   0.00 
1 1 1    0   26   20 o   1.9235   0.7937   2.7017   0.0000   0.09   0.00   0.00   0.00 
1 1 1    0   26   21 o   8.8318   0.3588   10.273  180.000  -0.15   0.00   0.00   0.00 
1 1 1    0   28    0 o   9.2574   0.2829   13.157  180.000   0.09   0.00   0.00   0.00 
1 1 1    0   28    1 o   5.6745   0.2929   1.4287  180.000   0.27   0.00   0.00   0.00 
1 1 1    0   28    2 o   10.895   0.1850   3.7344  180.000  -0.17   0.00   0.00   0.00 
1 1 1    0   28    3 o   4.1473   0.3026   3.8476  -0.0000  -0.10   0.00   0.00   0.00 
1 1 1    0   28    4 o   5.6657   0.2370   7.2742   0.0000   0.06   0.00   0.00   0.00 
1 1 1    0   28    5 o   6.5651   0.2209   6.6305  -0.0000   0.18   0.00   0.00   0.00 
1 1 1    0   28    6 o   13.229   0.3101   7.3834   0.0000   0.21   0.00   0.00   0.00 
1 1 1    0   28    7 f   5.1769   0.5396   2.3290   0.0000   0.01   0.00   0.00   0.00 
1 1 1    0   28    8 o   3.3466   0.8286   1.4626  180.000  -0.26   0.00   0.00   0.00 
1 1 1    0   28    9 o   8.3726   0.4794   4.9351  180.000  -0.23   0.00   0.00   0.00 
1 1 1    0   28   10 o   7.1694   0.5730   3.2720   0.0000   0.34   0.00   0.00   0.00 
1 1 1    0   28   11 o   4.4609   0.3232   7.5343  180.000  -0.04   0.00   0.00   0.00 
1 1 1    0   28   12 o   2.4083   0.5731   7.6419  180.000  -0.05   0.00   0.00   0.00 
1 1 1    0   28   13 o   4.0249   0.4846   0.8153   0.0000   0.02   0.00   0.00   0.00 
1 1 1    0   28   14 o   4.1473   1.1445   4.4489   0.0000   0.09   0.00   0.00   0.00 
1 1 1    1    1    3 o   46.601   7.2028   21.864 -74.1000   6.69 -17.34   2.57   2.78 
1 1 1    1    1    4 o   65.207   7.0791   59.070 -53.4000 -17.72   9.49  -2.06   4.14 
1 1 1    1    1    5 o   70.997   4.2643   21.064   85.300   6.02   7.05   1.11  -2.73 
1 1 1    1    1    6 o   19.221   4.8370   64.302 -161.4000   4.10 -10.89   2.33   1.83 
1 1 1    1    1    7 o   70.923   3.1465   82.208 -175.3000  -4.84   7.38   1.79   2.34 
1 1 1    1    1   10 o   56.368   4.6475   45.808   83.200   7.75   6.44  -0.58  -1.75 
1 1 1    1    1   11 o   78.008   2.9759   94.679   7.5000   6.41   9.84   0.71  -4.62 
1 1 1    1    1   12 o  132.384   3.9628  121.666 -172.1000 -20.95   4.20  -3.44   2.18 
1 1 1    1    1   13 o  278.896   4.3494  ?   ?    0.00   0.00   0.00   0.00 
1 1 1    1    1   14 o   19.479   2.1393   5.7033  112.700  -5.42  -0.22  -1.48  -0.21 
1 1 1    1    1   15 o   49.408   5.2786   61.841 -177.3000 -20.44 -12.19  -2.09  -4.52 
1 1 1    1    1   16 o   19.991   0.2433   21.306   26.900   0.78   0.01  -0.71   0.20 
1 1 1    1    1   17 o   49.125   1.8920   47.868 -106.1000 -13.01  -6.20  -2.33  -2.20 
1 1 1    1    1   18 o   8.2305   0.2883   5.6501 -132.5000  -0.70  -1.54   2.34  -5.90 
1 1 1    1    1   19 o   34.954   0.3005   31.511  107.900  -1.45  -0.16  -0.33   0.03 
1 1 1    1    1   20 o   28.047   2.1152   34.241   92.000  -0.22  14.47   2.71  -0.12 
1 1 1    1    1   21 o   52.117   0.2801   42.743 -121.7000  -2.79  -0.03  -0.65   0.09 
1 1 1    1    1   22 o   30.105   1.5227   29.613 -137.3000 -10.18   0.88  -3.52   0.40 
1 1 1    1    1   23 o   41.866   1.1582   34.156   36.700  13.15  -5.99  -3.98   5.42 
1 1 1    1    1   24 o   41.536   2.3492   37.583 -95.7000  20.82  -9.55  -4.75   4.99 
1 1 1    1    1   25 o   63.446   0.5525   51.304  109.900   1.58   3.27   1.09  -3.60 
1 1 1    1    1   26 o   37.083   1.2274   32.979   69.600  17.28   5.88  -6.50  -4.42 
1 1 1    1    1   27 o   64.691   1.5510   61.331 -96.6000  -8.69  -9.06  -0.38  -4.31 
1 1 1    1    1   28 o   59.117   0.9994   62.953   25.700   5.49  22.13   8.86  -3.61 
1 1 1    1    1   29 o   32.450   1.6938   37.778 -66.1000  12.42  -7.54  -2.19   3.44 
1 1 1    1    1   30 o   26.610   0.4910   22.504 -100.4000  -2.41  -2.11   0.15  -1.62 
1 1 1    1    1   31 o   21.366   1.2701   18.308 -74.1000  12.36 -13.54   0.81   5.37 
1 1 1    1    1   32 o   19.373   1.3609   20.584 -93.8000 -28.40 -15.28  -7.07  -9.62 
1 1 1    1    1   33 o   17.143   0.5524   16.624  147.000   0.52  -4.78   2.22   0.99 
1 1 1    1    1   34 o   27.668   0.3796   25.803  138.200   6.75  10.30   1.33 -11.81 
1 1 1    1    1   35 o   21.162   0.3178   24.484   68.100  -1.32   3.06  -1.78   5.57 
1 1 1    1    1   36 o   4.7589   0.8910   3.2455 -28.8000  -0.12   0.85   0.09   0.05 
1 1 1    1    1   37 f   17.037   1.2992   18.540  142.900 -12.25  14.63   1.20   3.16 
1 1 1    1    1   38 o   13.061   0.6633   9.0174 -179.8000  -4.36   0.01  -0.75   0.29 
1 1 1    1    1   39 o   8.0052   0.5743   9.6609   9.7000   1.27   0.48   0.26  -0.54 
1 1 1    1    1   40 o   11.955   0.4906   8.0240  -2.5000   2.66  -0.91   0.14   0.67 
1 1 1    1    1   41 o   9.0663   0.5547   12.250 -137.2000  -1.29  -0.83   0.33  -0.14 
1 1 1    1    1   42 o   1.6661   1.3633   2.3205 -27.7000   0.05  -0.18  -0.00   0.01 
1 1 1    1    1   43 o   5.6560   0.7003   1.3725 -106.1000   1.24   0.99   0.24  -0.08 
1 1 1    1    1   44 f   3.4158   1.0171   3.2518   8.6000   0.16   0.08   0.00  -0.00 
1 1 1    1    1   45 o   6.0371   0.7451   2.5585   42.700  -0.51   0.68   0.07  -0.12 
1 1 1    1    3    0 o   36.439   0.2575   21.074  -0.0000   0.04   0.00   0.00   0.00 
1 1 1    1    3    2 o   67.482   1.2315   53.116 -28.6000   0.73   2.75   0.89  -1.95 
1 1 1    1    3    3 o   59.745   10.759   59.155 -170.2000 -46.22  11.43  -8.33   5.23 
1 1 1    1    3    4 o   66.723   2.8781   35.254 -165.9000  -2.13   7.83   2.56   2.67 
1 1 1    1    3    5 o   17.814   3.1357   28.558 -69.0000   6.24  -1.40  -1.79   1.01 
1 1 1    1    3    6 f   66.920   4.9646   55.953  128.300  -2.33   8.77   2.18   0.73 
1 1 1    1    3    7 o   31.121   2.7068   18.742   30.900   5.79  -1.40  -2.36   0.80 
1 1 1    1    3    8 o   70.441   5.6332   69.003 -54.5000  -9.57 -22.90   5.93  -8.41 
1 1 1    1    3    9 o  124.513   7.1720  120.581  162.900 -12.28  11.88  -0.90   3.09 
1 1 1    1    3   10 o   45.176   10.016   63.830   42.000   4.25  51.05  11.49  -2.62 
1 1 1    1    3   11 o   95.506   3.2777   87.944 -55.9000   5.05  -3.70  -0.88   1.40 
1 1 1    1    3   12 o  120.234   4.4865  130.534  163.000  -7.06  20.65   5.31   6.33 
1 1 1    1    3   13 o   65.347   1.1165   53.837  101.000  -1.07   0.71  -1.72   0.44 
1 1 1    1    3   14 o   77.137   0.6158   71.181 -156.9000  -2.46   5.18   4.57   2.35 
1 1 1    1    3   15 o   60.559   1.1864   29.914  142.600  -0.82  -1.10   1.07  -0.71 
1 1 1    1    3   16 o   54.358   0.3740   59.809  -8.0000   0.83  -1.04   2.80  -2.84 
1 1 1    1    3   17 o   87.603   3.2447   75.049 -55.8000  20.60  -3.11  -7.35   0.27 
1 1 1    1    3   18 o   66.239   1.7556   54.361  100.900  -9.07   6.14  -4.57   4.97 
1 1 1    1    3   19 o   38.162   1.0771   47.824  109.700  -1.61   3.23   0.58   1.72 
1 1 1    1    3   20 o   48.118   2.6140   26.141 -45.6000  18.55 -14.13  -2.05   6.13 
1 1 1    1    3   21 o   22.099   0.9726   30.646 -114.5000  -5.25   1.57  -2.22   1.26 
1 1 1    1    3   22 o   27.366   0.9026   13.989 -30.7000   3.89   3.91   0.31  -3.13 
1 1 1    1    3   23 o   32.553   1.5120   23.363 -27.6000  10.18   0.09  -4.02  -0.33 
1 1 1    1    3   24 f   39.618   1.2160   40.789  178.100  -1.16  11.89   6.50   0.70 
1 1 1    1    3   25 o   74.676   0.5774   75.359  107.700  -7.75   0.22 -10.84  -3.57 
1 1 1    1    3   26 o   20.408   2.4219   15.159   3.9000  40.09 -28.92  -4.41  14.10 
1 1 1    1    3   27 o   78.463   0.3827   70.400 -98.2000   5.24  -2.94  -8.21   4.45 
1 1 1    1    3   28 o   13.076   0.5251   17.924   38.100   0.54  -0.69   0.02   0.15 
1 1 1    1    3   29 o   27.171   0.2467   28.417 -141.4000  -0.22   0.11  -0.08   0.02 
1 1 1    1    3   30 f   50.327   0.9859   29.572 -95.2000  -2.51  -3.62   0.04  -1.90 
1 1 1    1    3   31 o   14.340   0.3196   9.7987  154.300   1.08   0.07  -3.23  -3.87 
1 1 1    1    3   32 o   26.861   0.9054   19.441  -9.0000   0.72  -8.07   1.81   0.53 
1 1 1    1    3   33 o   17.316   0.6768   16.354  122.700 -16.11   1.57 -10.61   0.70 
1 1 1    1    3   34 o   16.304   0.6430   14.893   13.400   0.90   2.95   0.54  -0.24 
1 1 1    1    3   35 o   17.421   0.2967   14.956   30.400  -0.31  -0.42  -0.01  -0.06 
1 1 1    1    3   36 o   23.457   0.9248   22.706  178.200  -5.34 -10.66   4.10  -2.36 
1 1 1    1    3   37 o   6.7012   0.9063   8.8969  107.500  -2.68   1.70  -0.07   0.70 
1 1 1    1    3   38 o   9.8024   0.6348   9.7342   28.500  -0.44   5.01   1.75   1.84 
1 1 1    1    3   39 o   14.929   0.3697   11.238 -12.9000   1.31   0.37  -0.27   0.34 
1 1 1    1    3   40 o   8.6456   0.8981   5.1780 -149.3000   1.43  -4.73   0.39   0.96 
1 1 1    1    3   41 o   7.7520   0.6671   7.1840 -132.0000  -1.09  -0.31  -0.10   0.06 
1 1 1    1    3   42 f   2.9500   1.0794   2.9944 -24.8000   0.97  -0.19   0.29   0.05 
1 1 1    1    3   43 o   8.1699   0.5662   5.5286  149.700   0.68   0.17   0.06  -0.01 
1 1 1    1    3   44 o   3.2349   1.1163   5.4579  171.700  -0.97  -0.74   0.20   0.03 
1 1 1    1    3   45 o   3.4507   1.3256   2.7448   78.800   0.03   0.16  -0.00   0.00 
1 1 1    1    5    0 o   18.727   0.1378   30.219   0.0000  -0.12   0.00   0.00   0.00 
1 1 1    1    5    1 o   60.624   9.0484   77.133 -41.1000   5.48 -38.93   9.19   3.60 
1 1 1    1    5    2 o   98.247   1.6155  104.608 -148.7000   0.60   1.55   0.00   0.00 
1 1 1    1    5    5 o  124.658   1.4785  124.103  10.0000  -2.75   1.16   3.36   1.08 
1 1 1    1    5    6 o  134.214   2.1376  136.943   4.4000   0.05  -1.36   0.00   0.00 
1 1 1    1    5    7 o  137.902   1.5591  151.339   83.400   2.29  -1.67   0.00   0.00 
1 1 1    1    5    8 o  109.946   2.9736  106.151   44.000   1.93   0.53  -0.13  -0.24 
1 1 1    1    5    9 o  107.017   1.1773   96.781   79.000   0.55   1.17  -0.01  -0.22 
1 1 1    1    5   10 f  117.189   0.5089  112.674 -159.0000  -2.90   1.15  -0.31   1.00 
1 1 1    1    5   11 o   81.489   1.8351   91.672 -134.1000  -3.60   4.20  -1.10   4.26 
1 1 1    1    5   12 o  127.945   5.0194  129.499  147.400 -17.06   3.59  -4.54   0.89 
1 1 1    1    5   13 f  118.156   0.6004  117.888 -157.7000  -6.93   6.25   1.28   4.44 
1 1 1    1    5   14 o   34.166   0.4884   31.647   32.800  -0.01  -0.45  -3.27   1.52 
1 1 1    1    5   15 o   11.896   0.7197   25.594 -54.3000  -0.21  -0.88   0.10  -0.06 
1 1 1    1    5   16 o   67.581   3.3884   62.057   25.800  32.97  -1.56  -6.85   1.50 
1 1 1    1    5   17 o   42.440   0.9975   31.744   6.1000   5.81   6.99  -0.08  -3.84 
1 1 1    1    5   18 o   18.753   1.9466   20.520  156.700  -7.27  -7.90   0.05  -2.26 
1 1 1    1    5   19 o   30.627   0.8002   30.745 -37.7000   4.22   2.83  -2.06 -11.03 
1 1 1    1    5   20 o   50.130   0.6144   45.573 -57.8000  -0.33  -0.96   1.71   0.04 
1 1 1    1    5   21 o   36.913   0.9793   34.779 -153.5000  -3.58   2.56  -0.75   1.57 
1 1 1    1    5   22 o   46.403   0.5950   26.210 -62.3000   3.94   0.10  -4.16  -1.29 
1 1 1    1    5   23 f   51.819   0.2711   49.902   75.200  -0.05   0.24  -0.65  -0.52 
1 1 1    1    5   24 o   33.327   0.2370   36.584   63.600  -0.20   0.19  -1.26  -0.15 
1 1 1    1    5   25 o   21.911   0.2745   21.498   84.100   0.27   0.03  -0.02  -0.01 
1 1 1    1    5   26 o   46.782   1.5307   49.035 -164.6000 -12.68  -7.30  -0.91  -1.76 
1 1 1    1    5   27 o   26.016   0.2513   35.917 -168.2000  -1.07   0.92   6.65   9.75 
1 1 1    1    5   28 o   10.655   0.6423   5.4007   80.300  -2.92   2.23  -0.78   2.05 
1 1 1    1    5   29 o   17.000   0.3264   27.377 -39.3000   0.53  -1.25   2.80   0.98 
1 1 1    1    5   30 f   43.463   0.2555   37.898 -123.6000   1.33  -2.00  -8.30   5.87 
1 1 1    1    5   31 f   26.434   0.2476   31.578  145.600   0.23   0.93  -0.28  -3.08 
1 1 1    1    5   32 o   4.9332   0.7299   3.9227   2.0000   0.25  -0.50   0.22   0.15 
1 1 1    1    5   33 o   24.226   1.0502   23.998 -156.8000 -12.85 -18.65   2.54 -10.59 
1 1 1    1    5   34 o   6.5150   0.6519   13.520   45.600  -0.41  -0.02  -0.02   0.74 
1 1 1    1    5   35 o   9.4052   0.4682   1.3186 -127.1000   0.25   1.73   1.14  -2.20 
1 1 1    1    5   36 o   13.268   1.2965   14.226  150.300 -14.45   3.89  -3.16   1.09 
1 1 1    1    5   37 o   12.728   0.4455   18.206   29.300  -0.97   2.24   0.11   0.67 
1 1 1    1    5   38 o   6.4740   0.6873   4.0519   74.500   0.06  -0.11   0.01  -0.01 
1 1 1    1    5   39 o   9.6959   0.9175   6.1531   1.1000   2.96  -6.51   0.26   1.91 
1 1 1    1    5   40 o   4.9374   1.4869   1.1729 -50.4000   1.22  -0.54  -0.08   0.03 
1 1 1    1    5   41 o   9.0099   0.4959   5.7869 -19.2000   1.71   1.32   0.72   0.51 
1 1 1    1    5   42 o   8.0383   0.5989   7.3680 -103.3000   0.27   0.16   0.00   0.01 
1 1 1    1    5   43 o   5.0237   0.7942   5.0372  149.700  -0.66   0.48   0.06   0.02 
1 1 1    1    5   44 o   4.0795   1.8909   3.6923 -52.6000  -0.44  -0.12  -0.02   0.00 
1 1 1    1    5   45 o   8.3038   0.8883   3.1631   31.500   1.14   0.81   0.10   0.10 
1 1 1    1    7    2 o   69.900   7.7349   48.543  108.100 -27.13  25.57  -2.27  12.21 
1 1 1    1    7    3 o  100.579   3.6614  104.040 -10.2000   1.50  -4.98   0.76   1.36 
1 1 1    1    7    4 o   44.191   4.7137   49.392 -88.4000   6.85 -14.21   3.13   5.17 
1 1 1    1    7    6 o  125.531   6.0022  127.756 -49.0000  13.72 -23.24   2.10   2.91 
1 1 1    1    7    7 o   66.247   1.7384   79.425  113.600   1.82   5.38   0.84  -0.90 
1 1 1    1    7    8 o  118.677   4.1583  109.928 -58.6000  10.70  -8.59  -2.41   4.54 
1 1 1    1    7    9 o   97.136   0.7795  101.937 -34.7000   1.24  -2.28   6.12  -9.46 
1 1 1    1    7   10 o   91.782   1.5407  100.439   84.800  -0.06   0.99   0.22   0.74 
1 1 1    1    7   11 o   70.644   2.4854   59.860  111.100   3.39  13.50   3.03  -2.18 
1 1 1    1    7   12 o   94.196   1.2994   95.313   81.300  -0.43   1.48   0.08   0.03 
1 1 1    1    7   13 o   80.647   1.4697   73.817 -96.4000   0.94  -5.39   0.93   0.03 
1 1 1    1    7   14 o   45.977   1.1339   23.599  155.900  -0.37   3.07   0.98   0.65 
1 1 1    1    7   15 o   32.439   3.2372   28.106 -143.0000 -20.56 -19.97   0.31  -7.82 
1 1 1    1    7   16 o   34.028   3.2209   26.271 -142.5000 -24.49 -11.52  -4.27  -6.06 
1 1 1    1    7   17 o   30.214   2.8294   34.119 -164.0000 -58.80   0.50 -25.72   1.10 
1 1 1    1    7   18 o   48.721   2.4657   40.280   22.200  25.74   6.78  -6.93  -4.43 
1 1 1    1    7   19 o   38.626   1.2313   46.244   61.100 -20.39   9.90 -14.79  15.85 
1 1 1    1    7   20 o   87.435   0.4011   80.322 -79.3000  -0.49  -0.02   0.87  -0.15 
1 1 1    1    7   21 o   58.285   0.2784   65.449 -37.9000  -0.03  -0.14  -0.20   0.09 
1 1 1    1    7   22 o   12.576   0.6027   8.8327   34.900  -0.31  -1.75   0.57  -0.25 
1 1 1    1    7   23 o   51.621   0.5780   49.000  -0.4000   1.19   1.96   0.78  -0.85 
1 1 1    1    7   24 o   16.919   0.4022   15.753 -76.2000  -3.64  -0.18  -2.63  -0.05 
1 1 1    1    7   25 o   41.319   2.7000   37.260   94.300 -27.40  41.93   4.39   9.27 
1 1 1    1    7   26 o   28.758   1.3450   18.217   60.900  29.49   4.89 -12.63  -3.75 
1 1 1    1    7   27 o   45.791   0.3490   41.806   69.100  -0.94   0.68  -1.21   0.43 
1 1 1    1    7   28 o   24.366   0.2861   26.280 -19.1000   0.24  -0.25   0.82   0.07 
1 1 1    1    7   29 o   17.293   0.5243   22.528  -8.0000  -0.17  -1.73   0.29  -0.02 
1 1 1    1    7   30 o   38.298   0.9061   33.170  162.500  -4.86  10.42   5.27   4.23 
1 1 1    1    7   31 f   32.082   0.3334   31.290 -155.3000   0.92   7.77   3.62   0.07 
1 1 1    1    7   32 o   22.337   0.6706   24.914 -170.8000  -7.71  -9.75   0.23 -10.68 
1 1 1    1    7   33 o   41.120   0.2860   34.342 -163.7000  -0.44  -0.67  -0.11   0.37 
1 1 1    1    7   34 o   5.7953   2.5328   11.169  129.000   3.69   5.60   0.36  -0.99 
1 1 1    1    7   35 o   7.2226   0.5477   3.6501 -81.8000   0.54  -0.08   0.02   0.34 
1 1 1    1    7   36 o   9.4298   0.4846   12.363   8.8000   1.27  -0.20   0.83   1.58 
1 1 1    1    7   37 o   6.3816   1.3857   2.5417  165.000  -3.46   3.61   0.32   0.90 
1 1 1    1    7   38 o   2.8458   1.0655   3.6257  147.800  -0.66   0.50   0.15   0.21 
1 1 1    1    7   39 o   6.8144   0.5726   11.303   38.900  -0.04   1.14  -0.34   0.47 
1 1 1    1    7   40 o   4.3582   0.9755   3.6708  170.800  -0.07   1.12   0.05   0.14 
1 1 1    1    7   41 o   0.0000   2.6116  ?   ?   -0.33  -0.03  -0.02   0.04 
1 1 1    1    7   42 o   9.8106   0.6611   10.218 -116.3000  -0.05  -2.26   0.06   0.25 
1 1 1    1    7   43 o   2.1322   1.1849   1.9666   41.200   0.49  -0.17   0.06  -0.01 
1 1 1    1    7   44 o   6.5093   1.0324   5.9054 -13.7000   0.25  -0.45   0.01  -0.02 
1 1 1    1    9    0 o   23.755   0.2086   14.489 -180.0000   0.16   0.00   0.00   0.00 
1 1 1    1    9    1 o   48.056   3.1936   55.985  170.200 -10.66  -2.45  -2.09  -0.81 
1 1 1    1    9    2 o   60.350   0.7672   44.118 -147.0000  -0.20  -1.32   1.45   0.70 
1 1 1    1    9    3 f   95.467   3.8914   81.637 -159.5000  -4.85  -9.47   2.32  -2.06 
1 1 1    1    9    4 o   42.465   3.9228   20.084 -41.0000  11.77 -13.09   0.55   3.36 
1 1 1    1    9    5 o   50.211   1.2761   57.844   47.900   9.10  -4.31  -3.09   5.33 
1 1 1    1    9    6 o   24.878   5.0831   26.837 -113.0000  -9.44 -29.12   6.57  -4.45 
1 1 1    1    9    7 o   48.886   0.9435   55.747 -109.6000   1.04  -1.77  -0.08   2.92 
1 1 1    1    9    8 f   61.063   4.7163   41.911   5.8000  21.63  14.85  -2.14  -7.41 
1 1 1    1    9    9 o   17.775   4.5309   11.398  138.400   0.73  41.71   9.59  -0.08 
1 1 1    1    9   10 o   26.220   2.1671   17.557   79.700  -2.15  12.07   2.70   0.77 
1 1 1    1    9   11 o   18.880   1.7013   11.109  101.300  -5.12   9.84   2.20   2.74 
1 1 1    1    9   12 o   43.681   0.2234   44.431   12.100   2.57  -2.20   6.19   6.99 
1 1 1    1    9   13 o   34.800   1.1206   44.713   72.500  -2.42   2.67  -0.26   1.54 
1 1 1    1    9   14 o   60.640   0.2900   71.053  164.400  -0.83   0.89   1.55  -2.36 
1 1 1    1    9   15 o   73.042   2.2317   89.652 -70.0000   6.05 -12.47   2.69   4.46 
1 1 1    1    9   16 f   50.855   0.7541   59.410 -25.9000   1.74   0.03  -2.19  -1.22 
1 1 1    1    9   17 o   79.615   0.6220   79.002  139.900   0.76  -0.22  -0.11   0.39 
1 1 1    1    9   18 o   36.020   1.8143   34.666   97.000  26.89   7.17  -8.43  -4.39 
1 1 1    1    9   19 o   89.140   1.3960   87.909 -55.6000   5.20  -5.88   0.30   1.17 
1 1 1    1    9   20 o   46.676   0.2593   41.202 -92.1000  -7.23   1.08  -9.83   5.56 
1 1 1    1    9   21 o   45.813   0.6810   40.052   41.900   1.24  -0.49  -0.09   0.11 
1 1 1    1    9   22 o   68.426   0.4849   71.095 -137.7000   4.05  -6.51   3.38   4.12 
1 1 1    1    9   23 o   37.888   1.4155   34.123 -12.5000  11.82   0.55  -2.27  -0.33 
1 1 1    1    9   24 o   50.989   0.2668   39.591  -8.3000  -0.21   0.04   0.53  -0.13 
1 1 1    1    9   25 o   43.826   0.2511   28.957 -10.6000  -0.05  -0.46   0.22   0.39 
1 1 1    1    9   26 o   36.156   1.7602   43.132   20.800  10.99  -6.40  -1.41   3.24 
1 1 1    1    9   27 o   20.607   0.5274   30.109   64.000   0.73  -0.74  -0.03   0.19 
1 1 1    1    9   28 o   4.6102   0.9064   2.7618 -137.2000   2.53  -3.68   0.61   1.91 
1 1 1    1    9   29 o   20.798   1.0823   26.887   48.400  15.60   1.52  -6.03  -0.73 
1 1 1    1    9   30 o   21.611   0.4811   12.568  114.600   1.09   2.55   0.49  -0.34 
1 1 1    1    9   31 o   23.609   0.6272   24.179 -96.9000  -1.35  -5.63   1.83  -1.53 
1 1 1    1    9   32 o   25.453   0.5240   12.301  114.900   0.58   2.77   0.45  -0.52 
1 1 1    1    9   33 o   21.102   0.7736   21.580  176.200  -2.87   2.12  -0.00   0.64 
1 1 1    1    9   34 o   4.4069   1.6252   3.7523   62.600   1.77   2.02   0.19  -0.53 
1 1 1    1    9   35 o   4.3836   0.8338   0.6694   74.400   1.23   0.56  -0.09  -0.25 
1 1 1    1    9   36 o   6.3556   0.6544   2.8432 -12.5000  -0.44  -0.28   0.11  -0.09 
1 1 1    1    9   37 o   4.0142   0.8725   5.3119 -95.2000  -0.65  -0.25   0.26  -0.28 
1 1 1    1    9   38 o   3.7161   0.9368   2.6697 -74.2000   0.87   0.45  -0.25   0.46 
1 1 1    1    9   39 o   6.0329   0.6756   8.6470   41.300   0.33   0.98   0.08   0.20 
1 1 1    1    9   40 o   13.608   0.3447   12.005 -147.2000  -4.24  -1.28   0.42   2.61 
1 1 1    1    9   41 o   2.2414   1.2541   4.1836   58.800  -0.06  -0.47  -0.00   0.06 
1 1 1    1    9   42 o   2.0931   1.4129   1.0037   2.5000   0.40   0.66   0.07   0.00 
1 1 1    1    9   43 o   3.2004   1.4762   1.2205 -103.8000   0.42   0.09   0.02   0.04 
1 1 1    1   11    0 o   41.914   0.2667   36.223  -0.0000   0.46   0.00   0.00   0.00 
1 1 1    1   11    1 o   11.475   4.3254   12.917   68.700 -22.72  34.83   2.87   6.11 
1 1 1    1   11    2 o   27.769   0.4182   34.235 -79.9000   1.01   0.61  -1.80  -0.76 
1 1 1    1   11    3 o   55.283   3.7308   51.169 -13.8000  23.20 -31.41   5.44  12.52 
1 1 1    1   11    4 o   35.994   1.7514   35.780 -145.8000  -6.80  -0.19  -1.91   0.18 
1 1 1    1   11    5 o   20.330   4.3717   24.919 -104.4000 -11.41 -44.78   9.96  -5.03 
1 1 1    1   11    6 o   48.099   1.2343   54.080  116.700   2.02   6.69   2.36  -2.75 
1 1 1    1   11    7 o   29.997   3.5678   32.837  100.900  -7.11  25.13   5.00   3.50 
1 1 1    1   11    8 o   25.982   0.7969   8.5575   76.700   2.34  -0.65  -0.43   0.37 
1 1 1    1   11    9 o   24.070   1.2347   32.696  175.000  -3.84   3.70   0.10   1.33 
1 1 1    1   11   10 o   59.032   0.8179   62.345 -48.9000   3.22  -0.72  -3.12  -0.96 
1 1 1    1   11   11 o   47.986   1.4184   42.703   50.200   6.23   4.15  -0.72  -2.34 
1 1 1    1   11   12 o   13.645   0.3113   21.436   45.700  -0.25   1.68   2.59   1.19 
1 1 1    1   11   13 o   59.795   1.1851   55.620 -98.4000  -2.41  -4.03   1.30  -1.61 
1 1 1    1   11   14 o   47.146   0.6428   55.488  159.100  -0.32  -0.20  -0.01  -0.08 
1 1 1    1   11   15 o   49.373   0.5454   43.166  149.500  -3.88  -2.56  -1.19  -1.86 
1 1 1    1   11   16 o   65.149   0.3102   64.779  112.100   6.21   1.90  -7.03  -2.36 
1 1 1    1   11   17 o   15.696   2.9310   11.295   45.400  22.73   6.11  -4.46  -2.50 
1 1 1    1   11   18 o   92.415   1.4069   93.035 -75.0000   8.48  -4.33 -10.36   6.62 
1 1 1    1   11   19 o  119.443   0.4988  118.364 -25.7000   0.59  -0.62  -0.75  -1.11 
1 1 1    1   11   20 o   39.251   0.2262   50.029   96.400  -0.06   0.22  -1.14   0.12 
1 1 1    1   11   21 f   65.946   1.0923   66.144  163.000 -10.37   1.88  -3.05   0.72 
1 1 1    1   11   22 f   50.137   1.7672   28.735 -123.3000  -9.18  10.52   0.16   2.04 
1 1 1    1   11   23 o   21.919   1.2372   14.399  107.100  -6.45   1.41  -1.71   0.97 
1 1 1    1   11   24 o   14.688   0.5405   18.140 -77.1000   0.22  -1.23   0.31   0.07 
1 1 1    1   11   25 o   29.344   0.7193   32.886 -100.9000  -1.41  -0.81  -0.32  -0.33 
1 1 1    1   11   26 o   20.701   0.6287   23.149 -12.3000   2.50  -1.26  -0.28   0.31 
1 1 1    1   11   27 o   7.2530   0.5200   13.719 -35.0000   0.22   2.27   0.98  -0.29 
1 1 1    1   11   28 o   23.066   0.2422   25.450  104.400  -0.76  -0.31  -0.04  -0.66 
1 1 1    1   11   29 o   23.545   0.3437   28.078   41.200   4.39  -1.84  -2.48  11.09 
1 1 1    1   11   30 o   23.282   0.3053   23.008   37.700  -1.08   1.30   0.85   0.57 
1 1 1    1   11   31 o   9.9096   0.8188   12.179 -170.5000  -1.81   4.76   1.29   0.79 
1 1 1    1   11   32 o   11.226   0.4652   13.365 -114.5000  -0.30  -1.17   0.14  -0.16 
1 1 1    1   11   33 o   5.9883   0.6348   6.5506 -65.9000   2.04   1.65   0.27  -1.14 
1 1 1    1   11   34 o   3.8681   1.0612   2.7008 -99.4000  -0.07  -0.67   0.04  -0.02 
1 1 1    1   11   35 o   3.5583   1.0770   4.0805 -154.3000  -0.60   1.32   0.37   0.13 
1 1 1    1   11   36 f   1.9096   1.1624   5.0190  117.600  -0.19   0.35  -0.06   0.08 
1 1 1    1   11   37 o   2.6074   1.2332   1.0583  133.100   0.00   0.76   0.10   0.15 
1 1 1    1   11   38 o   2.7767   1.3264   5.4047 -108.2000  -0.58  -0.19  -0.05   0.00 
1 1 1    1   11   39 f   11.036   0.7672   6.6030   53.100  -2.62   2.96   0.54   0.30 
1 1 1    1   11   40 o   2.5146   1.2149   3.6243   26.600  -0.25   0.58   0.06  -0.06 
1 1 1    1   11   41 f   10.061   0.5305   12.240   5.4000   1.71  -0.10   0.18   0.34 
1 1 1    1   11   42 o   3.6210   1.3526   0.7848 -14.8000   0.26   0.22   0.01  -0.01 
1 1 1    1   13    0 o   72.725   0.4618   68.972  180.000  -0.28   0.00   0.00   0.00 
1 1 1    1   13    1 f   32.334   0.1582   39.763  140.000   0.45  -0.10  -0.48  -0.01 
1 1 1    1   13    2 o   79.591   1.9994   78.433 -64.7000  -8.58 -17.59   6.48 -11.64 
1 1 1    1   13    3 o   23.947   0.4093   17.859 -90.9000  -1.11  -0.26  -0.70  -0.21 
1 1 1    1   13    4 o   33.412   3.1012   39.790  146.100  -3.62  43.03  13.44   1.91 
1 1 1    1   13    5 o   28.831   0.3654   24.328   87.600   1.93  -0.66  -1.74   2.12 
1 1 1    1   13    6 o   57.608   1.7930   44.110  159.800 -15.38  10.82  -2.79   6.20 
1 1 1    1   13    7 o   9.6207   0.6633   6.3567 -32.8000   5.34   2.23  -3.60  -3.38 
1 1 1    1   13    8 o   34.246   2.7889   26.939 -89.4000   6.47 -29.38   6.41   3.20 
1 1 1    1   13    9 o   31.354   0.1789   41.862   82.500   1.17  -0.07  -2.45  -0.76 
1 1 1    1   13   10 o   94.635   0.4068   75.379 -48.0000  -0.79  -4.93   4.12  -4.71 
1 1 1    1   13   11 f   64.997   0.3080   52.922 -84.5000  -0.77  -0.05  -0.77   1.13 
1 1 1    1   13   12 o   16.358   0.9268   15.320   24.400  -1.86  -0.28  -0.36  -0.13 
1 1 1    1   13   13 o   42.285   0.7694   48.980 -53.5000  -1.33  -1.87   0.10  -0.49 
1 1 1    1   13   14 o  118.106   0.9861  105.679   85.300   0.41   0.68   0.59   0.21 
1 1 1    1   13   15 o   49.988   0.9388   44.346   90.300  -3.45  -0.16  -1.48  -0.42 
1 1 1    1   13   16 o   33.230   1.6178   19.761 -132.6000  -2.10  -7.37   1.71  -0.92 
1 1 1    1   13   17 o   29.594   0.9032   21.281  151.000  -9.13  -1.08  -3.02  -0.55 
1 1 1    1   13   18 o   4.2941   1.8836   10.123 -34.9000  -4.78   1.40  -0.80   0.52 
1 1 1    1   13   19 o   46.628   3.0702   43.117   20.300  68.84  -8.03 -15.24   4.08 
1 1 1    1   13   20 o   37.050   0.2221   37.755  176.400  -0.04   0.20  -0.33  -0.16 
1 1 1    1   13   21 f   48.170   1.0293   68.746 -145.4000  -6.94   2.07  -2.41   2.53 
1 1 1    1   13   22 o   17.570   0.2537   9.5168   0.3000   0.17   0.18   0.39  -0.23 
1 1 1    1   13   23 o   28.099   0.4555   38.072  168.400  -1.17  -1.19  -0.15  -0.61 
1 1 1    1   13   24 o   21.646   0.2089   15.101   58.800  -1.61   1.49  -1.21   2.72 
1 1 1    1   13   25 f   20.056   0.5011   15.529 -92.1000  -1.70   1.10  -0.16   0.59 
1 1 1    1   13   26 o   6.8949   0.4441   8.2273   4.6000   1.04  -0.80  -0.56   1.02 
1 1 1    1   13   27 o   7.3014   0.4349   8.9458   28.100   0.23   0.11  -0.54   1.73 
1 1 1    1   13   28 o   10.197   0.4119   11.023 -111.6000  -0.79  -0.60  -0.10  -0.16 
1 1 1    1   13   29 o   14.331   0.3155   15.619   16.400   0.18   1.16   0.30  -0.31 
1 1 1    1   13   30 o   14.768   0.2921   9.7662  149.200  -0.96  -1.63   3.24  -0.28 
1 1 1    1   13   31 o   13.786   0.3156   10.237 -173.3000   0.22  -0.39   0.18  -0.14 
1 1 1    1   13   32 f   2.4818   1.2010   1.5058  171.600  -0.44   1.60   0.40   0.52 
1 1 1    1   13   33 o   7.0539   0.5226   3.8678 -61.1000  -0.32  -0.06   0.15  -0.07 
1 1 1    1   13   34 o   5.0957   0.6836   5.1342 -42.5000   0.02  -1.20   0.25   0.24 
1 1 1    1   13   35 o   9.4887   0.4320   8.0208 -173.4000   0.09  -0.82  -0.34  -0.21 
1 1 1    1   13   36 o   6.6480   0.5930   9.0438   2.1000   1.27   0.26   0.71  -0.33 
1 1 1    1   13   37 o   5.1464   0.7183   3.2605 -179.3000  -0.51  -0.29  -0.06   0.03 
1 1 1    1   13   38 o   7.1007   0.7134   9.1092  157.100  -0.97   2.21   0.42  -0.14 
1 1 1    1   13   39 f   11.587   0.4074   9.3791   35.900   2.55   2.28  -0.87   0.48 
1 1 1    1   13   40 o   5.8773   0.7765   4.2387  -0.5000   0.20   0.26   0.00   0.03 
1 1 1    1   13   41 o   9.6989   1.1316   5.7435  -8.5000   0.39  -0.55  -0.01   0.01 
1 1 1    1   15    0 o   71.206   0.4535   80.106 -180.0000   0.31   0.00   0.00   0.00 
1 1 1    1   15    1 o   77.895   3.5259   60.120   51.200  13.91  30.14   4.11  -4.32 
1 1 1    1   15    2 f   82.385   0.6678   97.341 -125.2000  -2.53   0.60  -1.62   2.64 
1 1 1    1   15    3 o   64.802   1.3567   59.787 -172.7000  -5.67  -4.65  -0.16  -2.18 
1 1 1    1   15    4 o   73.078   0.3887   53.701 -30.2000   0.28  -0.17   0.65  -0.25 
1 1 1    1   15    5 o   56.270   1.8030   31.407 -58.6000  -2.20  -9.24   2.41  -1.52 
1 1 1    1   15    6 o   40.430   1.6669   32.247 -146.2000  -3.96 -11.14   2.88  -2.07 
1 1 1    1   15    7 o   62.298   1.9125   61.219   83.900   3.90  10.02   2.18  -2.45 
1 1 1    1   15    8 o   41.622   1.1768   30.273  112.900  -2.38   2.61  -0.00   0.73 
1 1 1    1   15    9 f   29.460   0.1620   35.470   64.400  -0.16   0.31  -0.07   0.70 
1 1 1    1   15   10 o   68.050   0.3051   74.910 -37.3000   0.08   0.08  -0.04  -0.01 
1 1 1    1   15   11 o   67.586   1.3622   69.374 -63.9000   4.53  -5.71   0.18   1.88 
1 1 1    1   15   12 f   59.377   1.5634   33.519   75.800  11.91  10.84  -0.07  -4.14 
1 1 1    1   15   13 f   63.937   0.9995   58.458 -92.8000  -8.46  -7.75  -0.90  -4.25 
1 1 1    1   15   14 o   47.826   0.4465   44.877   81.500   5.15   2.19  -1.96  -1.55 
1 1 1    1   15   15 o   36.595   0.4826   28.192 -17.9000   1.55  -0.26  -0.20   0.10 
1 1 1    1   15   16 o   48.383   1.1933   57.042 -72.4000   9.54  -3.00  -2.76   1.56 
1 1 1    1   15   17 o   52.075   0.5652   47.307  105.900  -3.83   1.96  -3.23   1.85 
1 1 1    1   15   18 o   35.559   0.5148   42.128   8.6000   1.50   0.78  -0.66  -0.46 
1 1 1    1   15   19 o   72.498   0.3382   64.994  172.900  -0.88   0.17   0.11   0.62 
1 1 1    1   15   20 o   40.761   1.0620   42.448  116.000  -9.42   2.90  -2.11   1.88 
1 1 1    1   15   21 o   33.819   0.4333   33.312 -93.2000  -3.95   0.52  -2.67   1.68 
1 1 1    1   15   22 o   18.934   0.4603   24.329   71.200  -7.63   5.86  -3.26   8.19 
1 1 1    1   15   23 o   14.599   0.3321   12.519  137.400  -2.61   0.57  -0.95   0.26 
1 1 1    1   15   24 o   22.972   0.2160   24.398 -133.3000  -0.08  -0.33   0.01   0.71 
1 1 1    1   15   25 o   22.755   0.2188   21.338   54.000   0.94  -0.26  -0.63  -0.03 
1 1 1    1   15   26 f   16.978   0.2370   19.683  166.700  -0.87  -1.25  -0.19  -0.84 
1 1 1    1   15   27 o   13.533   0.2790   10.263 -77.4000   0.50  -0.04   0.64   0.87 
1 1 1    1   15   28 o   12.885   0.6525   9.2203 -53.7000   4.38  -6.79   0.48   2.47 
1 1 1    1   15   29 o   6.4435   0.5014   9.6642   96.500  -0.68  -0.67   0.09  -0.20 
1 1 1    1   15   30 o   7.6848   0.4549   4.2846 -80.7000  -1.22   1.00  -0.65   0.58 
1 1 1    1   15   31 o   2.0665   1.1218   1.4349 -104.9000  -0.35   0.48   0.00   0.04 
1 1 1    1   15   32 o   0.0000   2.2946  ?   ?    0.05   0.15  -0.01  -0.04 
1 1 1    1   15   33 o   11.528   0.3362   15.507 -149.6000  -1.27  -0.90   0.51   1.48 
1 1 1    1   15   34 o   7.1930   0.9229   6.7704   40.800   1.45   1.97   0.17  -0.17 
1 1 1    1   15   35 o   6.1201   0.6981   4.9497 -152.8000   0.68   1.37   0.18  -0.01 
1 1 1    1   15   36 o   4.5966   0.7198   3.7228   35.700  -0.39   0.05  -0.00   0.02 
1 1 1    1   15   37 o   5.0650   1.2240   4.0297  123.000  -0.20   0.63   0.02  -0.00 
1 1 1    1   15   38 o   3.3523   0.9780   0.5648   15.300   0.01   0.25   0.01   0.01 
1 1 1    1   15   39 o   9.2881   0.6742   9.1817  -4.4000   0.73   0.60   0.09   0.03 
1 1 1    1   17    0 o   44.364   0.2855   40.875   0.0000   0.17   0.00   0.00   0.00 
1 1 1    1   17    1 o   54.738   0.2419   55.862  133.600  -0.13   0.42   0.34  -1.89 
1 1 1    1   17    2 o   47.025   0.4634   72.822 -153.0000  -3.01   2.76   0.15   2.11 
1 1 1    1   17    3 o   46.260   1.2149   44.769   9.6000   9.61  16.98   5.93  -8.42 
1 1 1    1   17    4 o   38.346   0.9272   33.483  148.500  -5.73  -4.18  -0.72  -1.79 
1 1 1    1   17    5 o   14.572   0.5511   25.996 -170.0000  -1.42   4.92   2.04   1.17 
1 1 1    1   17    6 o   19.379   1.1417   16.125 -77.5000  -0.84  -8.41   1.70  -0.30 
1 1 1    1   17    7 o   26.469   0.6265   17.338   33.200   6.84  -5.02  -1.05   4.21 
1 1 1    1   17    8 o   24.139   0.7672   25.016 -112.3000   8.90  -4.89  -2.22   3.89 
1 1 1    1   17    9 o   66.705   1.4957   69.824 -168.2000  -6.40 -20.10   6.13  -3.55 
1 1 1    1   17   10 o   66.793   0.2969   62.766  -5.5000   0.04   1.14   0.58  -0.41 
1 1 1    1   17   11 f   6.7821   0.4303   11.358 -115.8000  -2.04  -1.12  -1.30  -1.74 
1 1 1    1   17   12 o   18.115   0.7668   27.230  175.700  -1.41  -2.29   0.30  -0.79 
1 1 1    1   17   13 o   54.694   0.6882   60.226   22.500   0.38   0.21  -0.02  -0.02 
1 1 1    1   17   14 o   47.972   0.2629   43.201  10.0000  -0.02  -0.34   0.08   0.07 
1 1 1    1   17   15 f   20.405   1.1408   5.8565 -144.0000   0.18  -3.53   0.63   0.01 
1 1 1    1   17   16 f   37.493   0.4036   34.426   71.300   0.82  -0.81  -0.06   0.20 
1 1 1    1   17   17 o   26.919   0.3314   19.072 -67.5000   2.87   0.08  -2.56   0.61 
1 1 1    1   17   18 o   20.967   0.3346   17.570 -77.0000   1.68  -0.52  -0.56   0.25 
1 1 1    1   17   19 o   25.952   0.1937   29.430 -157.6000   0.66  -1.36   0.35   1.95 
1 1 1    1   17   20 o   5.8663   0.8109   12.231   3.0000   5.55  -0.23  -1.79   0.24 
1 1 1    1   17   21 o   15.067   0.3395   18.156   39.100   0.14   0.09  -0.00  -0.01 
1 1 1    1   17   22 o   26.664   0.5048   32.312  157.400  -1.53   2.83   0.19   0.46 
1 1 1    1   17   23 f   17.885   0.7167   13.137 -45.0000   7.03  -4.49  -1.52   2.15 
1 1 1    1   17   24 o   22.697   0.4358   22.709 -103.6000   1.89  -1.28  -0.37   0.38 
1 1 1    1   17   25 o   7.9813   0.3747   11.751   67.500   0.82   0.01  -0.88   2.70 
1 1 1    1   17   26 o   10.325   0.3091   10.024 -35.1000   0.89  -0.32  -0.25   0.04 
1 1 1    1   17   27 o   12.318   0.2829   5.8931 -111.2000   0.31  -0.40  -0.18   0.14 
1 1 1    1   17   28 o   13.723   0.2747   17.486   80.400  -0.09  -0.16  -0.04   0.03 
1 1 1    1   17   29 f   9.2348   0.3658   9.7068   39.300   0.20   0.74   0.28   0.22 
1 1 1    1   17   30 o   7.6132   0.4417   5.3922 -87.6000  -0.47   0.20  -0.09  -0.16 
1 1 1    1   17   31 o   4.9163   1.0942   7.1140  167.800  -2.23   2.93   0.39   0.56 
1 1 1    1   17   32 o   7.6759   0.4483   3.3863  145.000   0.45   0.20   0.09  -0.02 
1 1 1    1   17   33 o   19.348   0.5327   16.797 -156.8000  -2.50   6.13   0.08   0.81 
1 1 1    1   17   34 o   8.5752   0.4477   4.4842   16.100  -1.00   1.05  -0.25   0.04 
1 1 1    1   17   35 o   11.305   0.3713   9.0218 -164.6000  -1.07  -1.33   0.28   0.12 
1 1 1    1   17   36 o   2.2253   1.0304   5.8177 -158.9000   0.09  -0.27  -0.05   0.03 
1 1 1    1   17   37 o   9.0667   0.6394   8.0739  -1.9000   1.38   0.19   0.15  -0.18 
1 1 1    1   19    0 f   15.228   0.2264   4.1979  180.000  -0.12   0.00   0.00   0.00 
1 1 1    1   19    1 f   48.188   0.3963   30.956   81.400  -0.80   1.86   0.28   0.64 
1 1 1    1   19    2 f   45.413   2.7439   27.075 -111.7000  -9.86 -13.65   0.70  -2.88 
1 1 1    1   19    3 o   23.886   0.3561   24.578 -139.4000  -0.33  -0.41  -0.04  -0.25 
1 1 1    1   19    4 o   20.665   0.7510   36.682 -171.3000  -1.80  -3.28   0.83  -1.03 
1 1 1    1   19    5 o   57.833   0.3202   36.143 -159.5000   0.00  -0.30  -0.05  -0.19 
1 1 1    1   19    6 o   63.218   0.8763   43.897   1.8000   2.87   2.24   0.21  -1.43 
1 1 1    1   19    7 o   7.1067   0.6595   12.719   52.600  -0.24  -0.38   0.01  -0.03 
1 1 1    1   19    8 o   13.855   1.1289   14.032  130.000  -8.49  -5.88  -0.70  -2.09 
1 1 1    1   19    9 o   32.548   0.7036   21.338 -27.2000  -3.67  -6.75   1.86  -2.21 
1 1 1    1   19   10 o   32.091   0.4010   30.335  -6.9000   2.49  -1.08  -0.61   1.08 
1 1 1    1   19   11 o   56.193   0.2924   50.976  157.200   0.11  -0.98   0.25  -0.10 
1 1 1    1   19   12 o   3.7203   0.3543   13.536 -93.1000  -0.01   0.04   0.15  -0.08 
1 1 1    1   19   13 o   45.936   0.3216   48.234   2.7000   2.11  -0.23  -1.03  -0.24 
1 1 1    1   19   14 o   32.766   1.1934   36.607  177.700 -13.73  -0.57  -2.83   0.07 
1 1 1    1   19   15 o   10.826   0.4917   9.7500  110.800  -3.73   3.89  -0.07   2.03 
1 1 1    1   19   16 o   6.2677   0.2875   17.809   27.600   1.31  -0.37  -0.58   0.27 
1 1 1    1   19   17 o   10.352   0.2061   12.489  123.000   0.16  -0.04  -0.04   0.06 
1 1 1    1   19   18 o   29.195   0.1904   27.300 -146.3000  -1.96   1.94  -0.92   1.22 
1 1 1    1   19   19 o   10.669   0.5582   4.5191  140.600   0.17   2.12   0.42  -0.14 
1 1 1    1   19   20 o   13.855   0.4645   17.740   50.100   3.22   0.81  -1.25  -0.32 
1 1 1    1   19   21 o   15.272   0.2022   17.827 -96.5000   0.15  -0.72  -1.45   1.57 
1 1 1    1   19   22 o   8.9446   0.2834   7.4797   82.700  -1.24  -0.50  -1.52  -0.04 
1 1 1    1   19   23 o   9.1034   0.6182   10.180 -27.8000   2.77  -1.04  -0.25   0.31 
1 1 1    1   19   24 o   10.965   0.2540   9.6963 -68.8000  -0.70   0.60  -1.16   0.21 
1 1 1    1   19   25 f   1.9661   0.8651   6.6882 -28.7000   0.54  -0.03  -0.14   0.10 
1 1 1    1   19   26 o   15.720   0.5789   11.317 -66.3000   6.30  -5.48  -1.71   2.92 
1 1 1    1   19   27 o   12.023   0.3564   8.9406   79.000   1.69   1.69   0.33  -0.45 
1 1 1    1   19   28 o   3.4832   1.5832   9.6847   42.500   0.98  -1.71   0.19   0.19 
1 1 1    1   19   29 f   4.0385   0.6507   2.0699   76.800  -0.42   0.24   0.04   0.07 
1 1 1    1   19   30 f   3.6711   0.6847   4.4964 -172.2000  -0.43  -0.19   0.16  -0.02 
1 1 1    1   19   31 o   7.7002   0.4274   5.0669  173.700  -0.03  -0.19  -0.02   0.00 
1 1 1    1   19   32 o   5.9334   0.5352   6.1162   75.800   0.60   1.31   0.31   0.41 
1 1 1    1   19   33 o   0.0000   2.2912  ?   ?   -0.05   0.23   0.00  -0.04 
1 1 1    1   19   34 o   6.7373   0.5333   5.4757  158.900  -0.75  -0.20   0.27   0.11 
1 1 1    1   19   35 o   7.6657   0.8173   5.0947 -164.6000   0.04  -0.25  -0.00  -0.01 
1 1 1    1   21    0 o   37.707   0.2673   37.614  -0.0000  -0.09   0.00   0.00   0.00 
1 1 1    1   21    1 o   40.309   0.1936   37.929 -161.0000  -0.92   5.71   4.41   3.18 
1 1 1    1   21    2 o   25.847   0.1610   15.774   72.300  -0.06   0.20   0.02  -0.30 
1 1 1    1   21    3 o   21.057   0.4998   17.266  119.200  -2.06   4.10   1.24   1.23 
1 1 1    1   21    4 o   40.088   0.4423   39.115 -118.5000  -0.46  -1.93   0.35  -0.42 
1 1 1    1   21    5 o   22.646   0.1699   23.882 -37.6000  -0.08  -1.61   1.72  -1.24 
1 1 1    1   21    6 o   15.628   0.5571   10.106 -114.9000  -5.58   0.60  -1.94   0.64 
1 1 1    1   21    7 o   40.257   0.2483   30.549   31.600  -1.49   1.81   0.70   0.83 
1 1 1    1   21    8 o   10.324   0.8658   6.0553  116.600  -7.89   9.08   0.35   3.58 
1 1 1    1   21    9 o   14.340   0.2986   11.986  108.400  -1.05  -0.47  -0.17  -0.27 
1 1 1    1   21   10 o   11.953   0.9298   18.609  126.300  10.71  12.50   0.54  -4.74 
1 1 1    1   21   11 o   15.821   0.7290   9.3569 -171.9000  -2.80  -1.25  -0.19  -0.25 
1 1 1    1   21   12 o   24.805   0.5542   25.537   6.9000   3.37   0.60  -0.67  -0.52 
1 1 1    1   21   13 o   9.3216   0.2987   5.3495  130.400   1.21   0.69  -0.16  -0.50 
1 1 1    1   21   14 o   19.383   0.6013   26.863 -150.8000   1.40  -1.93   0.03   0.35 
1 1 1    1   21   15 o   11.035   0.3939   10.939   14.300   2.70  -0.99  -0.72   0.92 
1 1 1    1   21   16 o   9.7283   0.3852   7.2976 -46.7000   2.33  -0.05  -0.75  -0.11 
1 1 1    1   21   17 o   6.4724   0.2804   12.290 -158.3000  -1.29  -0.11  -0.56   0.08 
1 1 1    1   21   18 o   15.126   0.1829   15.130 -177.6000  -1.84   2.96  -0.15   2.61 
1 1 1    1   21   19 o   15.607   0.4008   13.518   25.600  -0.57   1.31   0.35   0.12 
1 1 1    1   21   20 o   3.5032   0.4919   4.0147   17.000   0.16   0.49   0.09  -0.35 
1 1 1    1   21   21 f   8.9733   0.2662   5.3634 -172.0000  -0.54   0.06  -0.10   0.16 
1 1 1    1   21   22 o   18.838   0.1910   19.462   33.600   0.78  -0.57   0.68   0.03 
1 1 1    1   21   23 o   0.0000   1.8812  ?   ?    0.08   0.08  -0.09   0.09 
1 1 1    1   21   24 o   9.5880   0.2864   8.4179 -115.0000   0.31  -2.21   0.31   2.15 
1 1 1    1   21   25 o   6.5914   0.3732   5.5863 -70.9000  -0.11  -0.12   0.00  -0.00 
1 1 1    1   21   26 o   5.8774   0.4246   3.5147 -108.7000   0.17   0.29   0.05   0.06 
1 1 1    1   21   27 o   4.5152   0.5244   2.6973   14.200   0.34   0.25   0.14   0.02 
1 1 1    1   21   28 o   4.5699   0.5632   0.9140 -133.6000  -0.17   0.21  -0.02   0.01 
1 1 1    1   21   29 o   6.3841   0.4357   6.0503  116.100  -0.79   0.15   0.09   0.17 
1 1 1    1   21   30 o   7.0432   0.4207   5.5064  157.700   0.33   0.33   0.04  -0.00 
1 1 1    1   21   31 o   7.9666   0.4205   3.1796   52.100   0.11  -0.00   0.01  -0.00 
1 1 1    1   21   32 o   7.2586   0.7071   3.3276   26.300  -0.06  -0.05  -0.00   0.00 
1 1 1    1   23    0 o   11.546   0.1623   13.609 -180.0000  -0.13   0.00   0.00   0.00 
1 1 1    1   23    1 o   12.056   0.1202   8.3730  117.700  -0.24   0.09  -0.22  -0.55 
1 1 1    1   23    2 o   16.586   0.1235   19.265   52.400  -0.01  -0.06  -0.02   0.01 
1 1 1    1   23    3 o   21.743   0.2332   15.538 -34.7000   1.10   0.44   0.01  -0.84 
1 1 1    1   23    4 o   16.721   0.2437   23.481 -128.9000   1.37  -0.67  -0.14   0.48 
1 1 1    1   23    5 o   19.874   0.1568   11.175  132.200   0.07   0.67   0.11  -0.62 
1 1 1    1   23    6 o   10.376   0.2337   7.6994  123.400   1.38  -0.27  -1.10   0.01 
1 1 1    1   23    7 o   7.8953   0.3761   10.500   17.100   2.12   1.16  -0.50  -1.29 
1 1 1    1   23    8 f   11.491   0.7545   10.236 -119.1000   3.15  -8.45   1.42   0.98 
1 1 1    1   23    9 o   5.7595   0.4660   4.4595  121.900  -0.25   4.25   1.24   0.00 
1 1 1    1   23   10 o   9.4387   0.2686   9.0388 -12.4000   2.11   4.54   1.36  -2.71 
1 1 1    1   23   11 o   3.4106   0.5688   2.4868   3.5000  -2.56   3.37   0.25   1.19 
1 1 1    1   23   12 o   9.6835   0.3028   12.648   57.100   0.74   0.61   0.05  -0.27 
1 1 1    1   23   13 o   2.9819   0.3565   11.580  169.500  -0.56  -0.40  -0.03  -0.17 
1 1 1    1   23   14 f   7.0454   0.2010   3.7540 -135.3000  -1.17   1.25   0.18   0.52 
1 1 1    1   23   15 o   14.389   0.1598   6.2038 -89.4000   0.19  -0.64   0.08   0.00 
1 1 1    1   23   16 o   4.2807   0.3328   4.0893 -162.7000  -1.67  -0.57  -0.60  -0.26 
1 1 1    1   23   17 o   7.3508   0.2228   8.0633 -149.7000  -1.95  -0.49  -1.09  -0.11 
1 1 1    1   23   18 f   5.6968   0.3000   5.5023   72.900   3.48  -1.51  -0.96   2.58 
1 1 1    1   23   19 f   11.792   0.2247   8.0578   62.000  -0.48   1.14   0.41  -0.01 
1 1 1    1   23   20 o   11.063   0.2128   10.570 -114.6000  -0.77  -1.77   0.52  -0.12 
1 1 1    1   23   21 f   6.4784   0.4539   10.317   10.900   1.86  -0.84  -0.13   0.39 
1 1 1    1   23   22 o   11.228   0.2244   13.075 -21.5000   0.96  -0.35  -0.25  -0.27 
1 1 1    1   23   23 o   0.7689   0.8839   1.7889   4.0000   0.45  -0.48  -0.02   0.08 
1 1 1    1   23   24 o   0.0000   1.8158  ?   ?   -0.17   0.01   0.06   0.05 
1 1 1    1   23   25 o   5.4329   0.4079   3.3952   10.100   1.18   0.11  -0.16   0.52 
1 1 1    1   23   26 f   0.0000   1.9363  ?   ?    0.04   0.05  -0.00   0.01 
1 1 1    1   23   27 o   2.6266   1.2120   3.1703  174.500  -0.80   0.54  -0.00   0.12 
1 1 1    1   23   28 o   6.5976   0.7768   3.4914   33.800   0.04   0.81   0.03   0.01 
1 1 1    1   25    0 o   28.574   0.2257   23.628 -180.0000  -1.63   0.00   0.00   0.00 
1 1 1    1   25    1 o   13.347   0.1915   10.016  136.800  -0.14   1.48   0.21   0.13 
1 1 1    1   25    2 o   12.106   0.1154   10.716   23.200   1.37  -1.68   3.26   1.85 
1 1 1    1   25    3 o   23.263   0.1717   20.443  172.300  -0.55  -0.04   0.30  -0.05 
1 1 1    1   25    4 o   4.8224   0.2604   6.3654  119.900  -0.24  -1.15   0.71  -0.04 
1 1 1    1   25    5 o   2.9176   0.3955   1.2776 -12.1000   0.36  -0.00  -0.14   0.07 
1 1 1    1   25    6 o   4.4304   0.6842   5.7826 -42.4000   1.50   3.45   0.48  -0.42 
1 1 1    1   25    7 o   8.4471   0.1834   8.2916 -89.2000   1.85  -0.67  -2.41   0.21 
1 1 1    1   25    8 o   5.7574   0.2634   5.3691  119.000   0.05   0.22   0.07   0.02 
1 1 1    1   25    9 o   15.505   0.1712   10.248   39.800   0.12   0.16  -0.00   0.08 
1 1 1    1   25   10 o   7.5375   0.2238   5.9224 -55.7000  -0.65  -0.55   0.47  -0.45 
1 1 1    1   25   11 o   2.7418   0.4594   1.0818   64.500  -0.61   0.25  -0.24   0.08 
1 1 1    1   25   12 o   5.3086   0.2294   0.9056 -21.0000   0.28  -0.02  -0.03  -0.01 
1 1 1    1   25   13 o   4.9680   0.1901   6.9573 -170.7000  -0.12   0.05  -0.05  -0.03 
1 1 1    1   25   14 f   7.1080   0.1786   5.1020 -169.1000  -0.90   0.59   0.02   0.32 
1 1 1    1   25   15 o   8.1731   0.2595   8.2530  179.500  -0.21  -0.10   0.00  -0.01 
1 1 1    1   25   16 o   1.8582   0.5486   4.0327  117.400   0.07   0.09   0.02   0.07 
1 1 1    1   25   17 o   4.1717   0.3255   6.7531 -25.6000   1.26  -0.60  -0.45   0.16 
1 1 1    1   25   18 o   5.5494   0.2652   3.1418  154.100   0.32  -0.67   0.18   0.02 
1 1 1    1   25   19 o   0.1799   0.5428   2.7365  178.000  -0.08  -0.03  -0.01   0.00 
1 1 1    1   25   20 o   4.7413   0.3474   6.7022 -120.9000  -0.20   0.15  -0.01  -0.10 
1 1 1    1   25   21 o   3.6541   0.4536   8.9219   26.300  -0.05   0.33  -0.15   0.05 
1 1 1    1   25   22 o   5.3073   0.5121   6.3881 -27.4000   1.09  -0.38  -0.11   0.03 
1 1 1    1   25   23 o   6.6708   0.3265   5.6953   23.200   0.11   0.09   0.02   0.02 
1 1 1    1   25   24 o   5.6200   0.6607   2.4004 -33.8000  -0.04   0.06   0.00  -0.00 
1 1 1    1   27    0 o   14.346   0.1722   9.4905   0.0000  -0.37   0.00   0.00   0.00 
1 1 1    1   27    1 o   3.1311   0.5296   2.8633   17.700  -1.18   2.28   0.14   0.27 
1 1 1    1   27    2 o   0.3975   0.5422   2.2009   63.900   0.07   0.12   0.00  -0.00 
1 1 1    1   27    3 o   7.6064   0.5655   11.851  138.100  -4.01   3.51   0.21   1.32 
1 1 1    1   27    4 o   7.9011   0.3822   8.0122   76.700  -1.33   1.64  -0.02   0.19 
1 1 1    1   27    5 o   5.4044   0.2581   4.8845 -122.2000   1.92   0.08  -1.01   0.65 
1 1 1    1   27    6 f   7.9869   0.2974   5.2039  165.800  -0.53   0.87   0.18   0.08 
1 1 1    1   27    7 o   6.2876   0.2309   6.5743 -157.9000  -1.48  -0.52  -1.35   0.48 
1 1 1    1   27    8 o   4.6007   0.4979   4.4988 -134.3000   0.88  -3.04   0.73   0.19 
1 1 1    1   27    9 o   1.6637   0.7880   7.7388 -54.9000   0.05   0.53   0.05   0.00 
1 1 1    1   27   10 o   3.5159   0.6600   5.3240 -143.0000   0.45  -2.63   0.52   0.43 
1 1 1    1   27   11 o   8.9523   0.2864   9.5703   53.100   1.58   0.42  -0.28   0.05 
1 1 1    1   27   12 o   3.0562   0.4896   5.0558   11.200   0.16   0.87   0.18   0.04 
1 1 1    1   27   13 o   8.0949   0.2382   7.7635   70.300  -0.23  -0.07   0.01  -0.02 
1 1 1    1   27   14 f   1.0621   0.5522   2.3299  142.500  -0.27  -0.46   0.07  -0.06 
1 1 1    1   27   15 o   4.2917   0.4087   2.9529 -130.2000  -0.89   0.06  -0.07  -0.02 
1 1 1    1   27   16 f   1.4241   0.6761   0.9189   82.300   0.10  -0.10   0.01   0.01 
1 1 1    1   27   17 o   9.4849   0.1891   12.250 -122.5000  -0.81  -0.94  -1.08   0.63 
1 1 1    1   27   18 o   6.2394   0.4491   1.1082 -153.9000   0.27  -0.57   0.07   0.00 
1 1 1    1   29    0 o   7.7136   0.2082   8.8437   0.0000  -0.17   0.00   0.00   0.00 
1 1 1    1   29    1 o   6.1420   0.1427   5.2266  131.400  -0.32  -0.60   0.45   0.11 
1 1 1    1   29    2 o   10.267   0.1618   7.6039   54.200   0.70   0.48   0.09  -0.13 
1 1 1    1   29    3 o   3.1889   0.3572   3.5194 -52.5000   0.10   0.07   0.06   0.05 
1 1 1    1   29    4 o   5.7832   0.2466   7.0906 -168.9000  -0.55  -0.18  -0.02  -0.04 
1 1 1    1   29    5 o   3.2737   0.4687   5.3497  173.100  -0.04   0.81   0.13  -0.04 
1 1 1    1   29    6 o   9.9195   0.1831   6.0437 -176.2000  -0.59  -0.04  -0.03  -0.03 
1 1 1    1   29    7 f   4.8432   0.3442   4.7029 -45.9000  -0.10  -0.65   0.07  -0.12 
1 1 1    1   29    8 o   4.6489   0.5697   6.8846 -85.2000   0.15  -0.03   0.02  -0.02 
1 1 1    2    0    0 o   28.606   0.3693   16.132  -0.0000  -0.10   0.00   0.00   0.00 
1 1 1    2    0    1 o   58.239   0.5561   28.169   90.000  -0.00  -0.35   0.00   0.00 
1 1 1    2    0    2 o   7.8038   0.1631   10.387 -180.0000  -0.01   0.00   0.00   0.00 
1 1 1    2    0    3 o   53.506   0.3592   23.403 -90.0000   0.00   0.26   0.00   0.00 
1 1 1    2    0    4 o   62.464   0.3993   72.620   0.0000   0.75   0.00   0.00   0.00 
1 1 1    2    0    6 o   72.844   0.4455   65.620  -0.0000  -0.61   0.00   0.00   0.00 
1 1 1    2    0    7 o  129.608   2.0587  139.805 -90.0000   0.00   1.26   0.00   0.00 
1 1 1    2    0   10 o  100.958   0.6031  108.967  -0.0000  -0.24   0.00   0.00   0.00 
1 1 1    2    0   11 o  122.383   0.7068  114.574   90.000  -0.00  -1.52   0.00   0.00 
1 1 1    2    0   12 o   89.263   0.5478   85.288   0.0000   0.58   0.00   0.00   0.00 
1 1 1    2    0   14 o  167.944   1.2151  158.169  180.000  -1.20   0.00   0.00   0.00 
1 1 1    2    0   15 o   27.153   0.2572   7.0457 -90.0000  -0.00  -0.34   0.00   0.00 
1 1 1    2    0   16 o   14.139   0.2536   2.9474   0.0000   0.06   0.00   0.00   0.00 
1 1 1    2    0   17 o   42.040   0.3093   34.813   90.000   0.00   1.55   0.00   0.00 
1 1 1    2    0   18 o   13.251   0.2988   20.423  180.000  -0.01   0.00   0.00   0.00 
1 1 1    2    0   19 o   77.058   0.4964   87.601 -90.0000  -0.00  -1.36   0.00   0.00 
1 1 1    2    0   20 o   21.517   0.2662   40.890   0.0000  -0.08   0.00   0.00   0.00 
1 1 1    2    0   21 o   66.450   0.4373   61.810   90.000   0.00   0.45   0.00   0.00 
1 1 1    2    0   22 o   79.295   0.5181   73.830   0.0000   0.58   0.00   0.00   0.00 
1 1 1    2    0   23 f   16.000   0.3546   34.727 -90.0000  -0.00  -0.14   0.00   0.00 
1 1 1    2    0   24 o  106.844   0.6419  103.650 -180.0000  -0.45   0.00   0.00   0.00 
1 1 1    2    0   25 o   0.0000   3.2711   2.5935   90.000  -0.00  -0.00   0.00   0.00 
1 1 1    2    0   26 o   29.351   0.3285   22.519  180.000  -0.01   0.00   0.00   0.00 
1 1 1    2    0   27 o   36.255   0.3470   43.200   90.000   0.00   0.17   0.00   0.00 
1 1 1    2    0   28 f   53.234   0.4055   43.489   0.0000  -0.08   0.00   0.00   0.00 
1 1 1    2    0   29 o   58.129   0.4337   62.447   90.000   0.00   0.43   0.00   0.00 
1 1 1    2    0   30 o   0.0000   3.7014   2.0680   0.0000   0.02   0.00   0.00   0.00 
1 1 1    2    0   31 o   20.883   0.3647   20.457   90.000  -0.00  -0.14   0.00   0.00 
1 1 1    2    0   32 o   13.161   0.5257   0.6551   0.0000  -0.21   0.00   0.00   0.00 
1 1 1    2    0   33 o   19.370   0.3921   11.449   90.000   0.00   0.13   0.00   0.00 
1 1 1    2    0   34 o   17.358   0.4436   21.226  -0.0000  -0.10   0.00   0.00   0.00 
1 1 1    2    0   35 o   13.454   0.5391   30.711 -90.0000  -0.00  -0.58   0.00   0.00 
1 1 1    2    0   36 f   14.025   0.4989   19.768 -180.0000   0.26   0.00   0.00   0.00 
1 1 1    2    0   37 o   13.069   0.5291   13.740 -90.0000   0.00   0.44   0.00   0.00 
1 1 1    2    0   38 o   2.3022   1.5133   3.6561  -0.0000   0.09   0.00   0.00   0.00 
1 1 1    2    0   39 o   5.6657   0.9990   6.9350 -90.0000   0.00   0.03   0.00   0.00 
1 1 1    2    0   40 o   5.7533   0.8214   8.1067  180.000  -0.47   0.00   0.00   0.00 
1 1 1    2    0   41 o   13.019   0.5380   15.816   90.000   0.00   0.82   0.00   0.00 
1 1 1    2    0   42 o   1.7321   1.6207   1.9402  180.000   0.24   0.00   0.00   0.00 
1 1 1    2    0   43 o   5.5767   1.1282   3.3710   90.000  -0.00  -0.07   0.00   0.00 
1 1 1    2    0   44 o   0.0000   3.8341   4.0150  180.000  -0.12   0.00   0.00   0.00 
1 1 1    2    0   45 o   4.8785   1.3158   2.7256 -90.0000  -0.00  -0.32   0.00   0.00 
1 1 1    2    2    0 f   57.707   0.6587   78.039  180.000   0.14   0.00   0.00   0.00 
1 1 1    2    2    4 o   52.381   0.4070   39.814 -22.7000   0.14   0.15  -0.07  -0.03 
1 1 1    2    2    5 o   24.435   2.5496   20.956 -31.4000   1.23  -4.37   1.25   0.99 
1 1 1    2    2    6 o   54.976   3.8502   41.880 -89.7000  -2.13  -7.86   1.83  -1.59 
1 1 1    2    2    7 o   68.448   5.4426   66.777 -157.0000 -11.29  14.11   0.32   6.13 
1 1 1    2    2    8 o   68.872   1.6608   87.429  -6.3000   1.43   3.06   0.08  -3.26 
1 1 1    2    2   10 o   76.196   1.8478   62.715 -135.7000  -1.79  -0.65  -0.31  -0.09 
1 1 1    2    2   11 f  122.551   1.3193   96.369   80.200   0.73  -0.69  -0.94  -0.54 
1 1 1    2    2   12 o   44.544   1.4364   39.774   68.400   6.08   2.80  -1.51  -1.38 
1 1 1    2    2   13 o  200.177   2.3764  194.341 -135.6000  -1.88  -0.32   0.42   0.34 
1 1 1    2    2   14 o   56.851   5.3112   61.816   32.900  24.31  23.41   0.45 -11.55 
1 1 1    2    2   15 o   36.902   3.8574   22.845 -41.9000  -2.77 -25.62   6.61  -1.81 
1 1 1    2    2   16 o   29.350   3.2339   29.167 -141.3000 -15.15 -26.63   7.49 -10.72 
1 1 1    2    2   17 f   68.203   3.2021   78.720   99.600  32.57  24.62  -3.78  -9.09 
1 1 1    2    2   18 o   36.967   2.2850   28.805   54.100  10.78  -1.87  -4.39   0.82 
1 1 1    2    2   19 o   43.770   1.7427   52.530 -97.8000  -4.25  -4.61   0.85  -2.41 
1 1 1    2    2   20 o   25.993   3.4020   18.101 -42.1000  67.30 -49.72  -8.38  29.05 
1 1 1    2    2   21 o   51.177   3.6080   50.605   19.200  32.89  26.84  -2.08 -13.32 
1 1 1    2    2   22 o   79.977   0.3528   71.839 -114.8000  -6.14   2.28  -4.35  12.02 
1 1 1    2    2   23 o   12.004   1.0972   18.511  169.600  -3.13  -2.48  -0.24  -1.17 
1 1 1    2    2   24 o   90.389   0.8038   86.480  114.400  -7.06   1.09  -4.30   0.03 
1 1 1    2    2   25 o   64.908   1.0577   53.863 -63.6000  13.96   1.40  -5.61  -1.89 
1 1 1    2    2   26 o   60.958   0.2949   62.687 -82.3000   9.32  -3.15 -12.55   5.19 
1 1 1    2    2   27 o   80.627   1.9528   85.388   93.300  19.51  16.10  -2.97  -9.00 
1 1 1    2    2   28 f   38.480   1.6167   48.887 -63.2000   5.32  -7.13   1.22   2.64 
1 1 1    2    2   29 o   45.144   1.4435   45.161   89.400  -3.71  12.17   2.21   1.91 
1 1 1    2    2   30 o   36.056   0.9923   30.988  136.600  -1.84   3.18   0.56   0.65 
1 1 1    2    2   31 o   13.525   0.7681   7.8481  109.400   0.80   5.11   1.34  -0.56 
1 1 1    2    2   32 o   28.662   0.3489   30.084  106.100  -2.13   0.49  -2.76  -0.21 
1 1 1    2    2   33 o   17.481   0.2795   20.490 -53.5000  -0.91  -1.70   0.25  -1.03 
1 1 1    2    2   34 o   13.691   0.9237   15.204 -26.9000   2.76   1.25  -0.20  -0.30 
1 1 1    2    2   35 o   12.544   1.0743   14.400 -81.3000   8.20  -2.38  -1.98   0.84 
1 1 1    2    2   36 o   5.4498   0.7286   8.1036  140.100  -0.15  -0.32   0.11   0.03 
1 1 1    2    2   37 o   10.147   0.4712   13.920 -68.6000   0.64   0.57  -0.37  -0.10 
1 1 1    2    2   38 o   10.026   0.4467   12.061 -127.9000   1.03  -0.10  -0.16  -0.46 
1 1 1    2    2   39 o   10.462   0.4538   9.8373  150.500  -0.20   0.41  -0.10  -0.12 
1 1 1    2    2   40 f   6.5139   0.6002   2.7916   68.100   0.59   0.11   0.02   0.15 
1 1 1    2    2   41 o   10.328   0.4444   11.398   53.100   1.09   0.94   0.46   0.18 
1 1 1    2    2   42 o   2.8452   1.0637   3.5355  174.900  -0.56  -0.17   0.11   0.03 
1 1 1    2    2   43 o   3.5519   1.6272   2.6898 -65.8000  -0.90  -0.48   0.07  -0.10 
1 1 1    2    2   44 o   2.6840   1.3392   2.3762 -10.1000   0.02   0.58   0.00   0.04 
1 1 1    2    2   45 o   2.5018   1.5357   5.1905 -90.1000   0.36  -0.38  -0.03  -0.03 
1 1 1    2    4    1 o   40.789   3.1125   23.024   37.100   3.64  -6.68   1.15   2.63 
1 1 1    2    4    3 o   64.056   0.7875   16.074  111.100  -1.78  -0.47   0.42  -3.29 
1 1 1    2    4    5 o   68.347   6.1330   83.851 -158.9000  -8.18 -20.13   4.10  -5.37 
1 1 1    2    4    6 o  120.421   1.9930  122.023 -164.9000   0.42  -0.84   0.00   0.00 
1 1 1    2    4    7 f   51.222   5.0194   56.363 -44.4000  15.64   7.01  -4.58  -3.93 
1 1 1    2    4    8 f   91.401   6.2205   86.065 -115.4000 -14.94  -6.80  -1.63  -2.76 
1 1 1    2    4    9 o   14.358   1.3264   16.856   88.500  -2.98  -0.72  -2.06  -0.73 
1 1 1    2    4   10 o   88.928   3.1021   96.612  -8.5000  11.77  -9.16  -0.36   3.33 
1 1 1    2    4   11 f   84.416   3.7443   83.362 -50.4000  -1.12 -10.04   2.66  -0.12 
1 1 1    2    4   12 o   69.779   4.9118   81.093 -20.2000  20.22  -9.29  -4.74   4.46 
1 1 1    2    4   13 o   67.038   2.7059   52.152  131.700   3.53   9.47   5.04  -2.76 
1 1 1    2    4   14 o   34.751   1.3044   41.213   69.600   6.08  -1.65  -1.55   1.13 
1 1 1    2    4   15 o   34.497   1.7676   37.694   71.400   3.42  14.79   4.30  -2.71 
1 1 1    2    4   16 o   19.066   3.9789   13.774 -41.1000  46.13  -3.55 -14.70   1.78 
1 1 1    2    4   17 f   31.697   0.9484   30.817  154.300  -0.23   1.46   0.50   0.41 
1 1 1    2    4   18 o   22.304   1.0030   20.921 -86.6000  13.18  -0.94  -8.77   2.32 
1 1 1    2    4   19 o   42.653   0.8548   8.1908  141.300  -2.00   1.24  -3.64   3.12 
1 1 1    2    4   20 o   65.974   0.9473   64.890  162.600  -4.56   0.60  -0.43   0.17 
1 1 1    2    4   21 f   49.316   2.8423   26.109 -31.3000  28.38 -25.66  -2.24  14.47 
1 1 1    2    4   22 o   9.6124   0.3198   20.241 -90.6000   0.68   0.25  -4.36  -1.85 
1 1 1    2    4   23 o   44.567   2.1485   42.087 -25.2000  16.05 -21.43   2.89   8.28 
1 1 1    2    4   24 o   26.282   1.1411   38.384 -43.8000   6.88   2.97  -2.03  -2.45 
1 1 1    2    4   25 o   31.726   1.4028   37.041 -135.6000 -32.19   6.88 -18.19   9.18 
1 1 1    2    4   26 o   41.953   1.4664   40.211  117.100 -14.10   9.90  -1.32   4.45 
1 1 1    2    4   27 o   89.577   1.5899   89.091   72.200  24.67   5.41 -13.59  -3.39 
1 1 1    2    4   28 o   40.731   0.2479   35.790 -47.4000   0.26  -0.10   0.40  -0.33 
1 1 1    2    4   29 o   29.866   0.9314   22.410 -29.9000   4.79  -4.77  -0.29   2.10 
1 1 1    2    4   30 o   30.987   0.5228   26.423   98.200   3.66   1.27  -2.12  -0.92 
1 1 1    2    4   31 o   21.210   1.5162   14.370 -32.7000  12.45 -27.74   6.75   6.89 
1 1 1    2    4   32 o   35.250   0.3374   29.968  172.700  -1.09   1.83   0.06   0.36 
1 1 1    2    4   33 o   12.503   0.3552   11.827   21.600   1.04  -0.92  -0.47   0.85 
1 1 1    2    4   34 o   0.0000   2.5423  ?   ?   -0.07   0.08   0.04  -0.23 
1 1 1    2    4   35 o   16.779   0.3111   17.507 -142.7000  -1.65   2.13   1.63   1.28 
1 1 1    2    4   36 f   15.707   0.8837   14.876   6.7000   6.33   2.81  -0.71  -1.72 
1 1 1    2    4   37 o   18.222   0.2928   17.693 -134.0000   0.63  -0.24   0.23   0.15 
1 1 1    2    4   38 o   0.0000   2.6125  ?   ?   -0.17  -0.06  -0.03   0.05 
1 1 1    2    4   39 f   6.0044   0.6576   5.9710   95.000   0.42   0.52   0.27   0.23 
1 1 1    2    4   40 o   7.6961   0.6048   6.9111 -72.8000   0.27  -0.58   0.04  -0.01 
1 1 1    2    4   41 o   3.9337   0.9677   3.8425  119.200  -0.87  -0.47   0.17  -0.08 
1 1 1    2    4   42 o   4.2904   0.9611   8.2423   98.800  -0.19   0.60  -0.02  -0.07 
1 1 1    2    4   43 o   6.2144   1.2878   7.7114 -38.7000   0.86  -1.00   0.06   0.03 
1 1 1    2    4   44 o   4.3626   0.9216   3.2484   79.800   0.09   0.39  -0.00   0.04 
1 1 1    2    4   45 o   6.7485   0.8290   2.7327 -105.8000   0.06  -0.87  -0.02   0.06 
1 1 1    2    6    5 o  108.457   1.9496  107.257 -113.7000  -2.16  -0.08  -0.29   0.16 
1 1 1    2    6    7 o  113.242   0.7780  111.234   13.100   0.98   0.23   0.92   1.11 
1 1 1    2    6    8 o  128.701   1.2836  124.700 -150.5000   0.99   2.00   2.02   2.27 
1 1 1    2    6    9 o   93.946   0.4015   89.630   87.400   0.72  -0.50   0.03   0.14 
1 1 1    2    6   10 o  141.652   1.6438  158.889 -79.9000   1.39   2.58  -2.25  -2.16 
1 1 1    2    6   11 o  107.236   1.4805  103.561 -156.3000  -8.51   6.04  -0.27   3.12 
1 1 1    2    6   12 o   49.351   3.2929   44.905   25.700  10.03   1.09  -2.63  -0.89 
1 1 1    2    6   13 o   42.783   1.7338   35.310   78.500  10.66   3.80  -4.18  -2.68 
1 1 1    2    6   14 o   32.516   1.7726   28.963   23.100   1.48  13.80   3.35  -1.06 
1 1 1    2    6   15 o   43.997   1.0692   31.842 -59.0000 -16.76 -18.46  -1.75 -21.16 
1 1 1    2    6   16 o   38.611   0.2369   40.334 -43.5000  -3.35  -4.39  -7.00 -16.28 
1 1 1    2    6   17 o   18.913   1.2501   9.5485  151.300 -11.63  -4.14 -10.45 -11.28 
1 1 1    2    6   18 o   54.766   0.7869   51.418   74.100  22.89   3.88 -11.16  -2.90 
1 1 1    2    6   19 o   36.816   0.8849   44.946  108.700 -20.87  10.27  -9.27  13.88 
1 1 1    2    6   20 o   80.990   0.3657   92.441  157.900   1.01   3.25   1.09  -1.66 
1 1 1    2    6   21 o   26.641   0.4463   25.108   23.100   4.60  -4.43   0.66   8.12 
1 1 1    2    6   22 o   34.319   0.6572   40.785 -77.0000   2.99  -2.21  -0.26   1.35 
1 1 1    2    6   23 f   33.260   0.7118   30.824 -130.0000  -3.56  -0.31  -1.97  -0.08 
1 1 1    2    6   24 o   18.609   0.4243   9.0516 -131.5000  -3.04   0.89  -2.16   1.72 
1 1 1    2    6   25 o   11.668   0.7215   10.242 -115.7000   3.94   3.57  -0.30  -2.18 
1 1 1    2    6   26 o   29.371   1.2017   21.523   80.500   6.18   9.59   1.09  -2.16 
1 1 1    2    6   27 o   53.508   0.8419   46.387 -51.2000   0.24  -2.17   0.35   0.20 
1 1 1    2    6   28 o   25.810   0.4581   27.224 -159.0000  -3.05   1.95  -0.56   3.67 
1 1 1    2    6   29 o   6.1529   0.6040   16.385  164.400  -0.03   0.90   0.73   0.20 
1 1 1    2    6   30 f   32.155   0.6816   26.719   58.500 -14.53  10.90  -4.72  10.65 
1 1 1    2    6   31 o   11.239   0.4927   11.604 -12.0000  -1.19  -0.21  -0.25  -0.04 
1 1 1    2    6   32 o   22.969   1.4601   18.836   49.100  -0.89  15.19   2.89   0.08 
1 1 1    2    6   33 o   35.837   0.2697   29.307   34.100  -1.06   0.42  -0.02  -0.92 
1 1 1    2    6   34 o   17.943   1.3522   13.839 -58.8000  10.40  -8.04  -0.28   2.38 
1 1 1    2    6   35 o   7.8962   0.5648   1.8643   6.6000   0.34  -0.42   0.03  -0.71 
1 1 1    2    6   36 o   9.0983   0.5013   4.6631 -113.4000   3.49  -1.89  -1.92   1.03 
1 1 1    2    6   37 f   14.323   0.6451   17.767 -168.7000  -3.53  -2.41   0.85  -2.00 
1 1 1    2    6   38 o   8.2404   0.7281   7.9225 -74.6000  -0.62  -0.50  -0.02  -0.02 
1 1 1    2    6   39 o   3.3374   1.5681   3.2826 -50.6000   0.58   0.39   0.04  -0.08 
1 1 1    2    6   40 o   4.8382   1.0846   2.4759 -50.6000  -0.01   0.69   0.03  -0.02 
1 1 1    2    6   41 f   1.0138   1.2990   2.0641   31.300  -0.01   0.31   0.01   0.01 
1 1 1    2    6   42 o   16.766   0.6392   13.296   85.200   1.65   3.83   0.44   0.22 
1 1 1    2    6   43 o   5.6963   1.0654   4.1002 -94.6000  -0.38   0.34   0.01   0.01 
1 1 1    2    6   44 o   8.6433   0.5856   9.6103  153.000  -1.33   0.33  -0.03  -0.21 
1 1 1    2    8    2 o   60.918   4.9837   63.821 -32.1000  17.68 -11.36  -2.50   4.45 
1 1 1    2    8    5 o   97.628   0.8057   91.538  106.200  -2.90   1.91  -0.07   0.51 
1 1 1    2    8    6 o   23.580   0.1501   42.221  140.300  -2.19  -1.97  -2.05  -5.46 
1 1 1    2    8    7 o   34.447   0.7844   13.139 -12.9000   1.08   0.83   0.69  -2.49 
1 1 1    2    8    8 o  108.011   6.7763  110.223  177.700 -36.89   1.93  -9.72  -0.30 
1 1 1    2    8    9 o   53.513   3.0575   47.542  176.400  -5.26  -8.54   1.51  -2.27 
1 1 1    2    8   10 o   98.592   0.9055   96.830 -80.5000  -1.53  -3.76   0.35  -0.62 
1 1 1    2    8   11 f   9.9241   2.0257   16.480 -120.8000   1.46  -9.52   2.07   0.58 
1 1 1    2    8   12 o   13.805   3.2485   10.522  170.000  -0.59 -27.20   7.31  -0.11 
1 1 1    2    8   13 o   24.128   0.7731   11.516  111.700  -2.23  -1.25  -0.44  -1.44 
1 1 1    2    8   14 o   56.180   2.4732   66.306   2.1000  14.98  12.81   0.29  -8.66 
1 1 1    2    8   15 o   25.447   0.9712   30.561  156.600  -3.58  -1.34  -0.79  -0.51 
1 1 1    2    8   16 o   41.833   0.5239   33.873  139.700   1.40   4.08   0.86  -0.82 
1 1 1    2    8   17 f   39.326   0.2175   33.399   36.100   0.63   1.87   0.53  -0.58 
1 1 1    2    8   18 o   13.424   0.6725   14.752 -56.6000  -4.32  -0.67  -1.43  -0.40 
1 1 1    2    8   19 o   41.774   1.3915   44.265   44.100   6.46   4.50  -0.90  -3.62 
1 1 1    2    8   20 o   52.883   2.1448   48.710  122.600 -22.11   8.53  -9.46   7.32 
1 1 1    2    8   21 o   54.761   0.2785   55.513 -152.2000   0.58   0.72  -0.08  -0.42 
1 1 1    2    8   22 o   54.389   1.4661   57.270   80.200 -11.66  16.33   3.37   7.64 
1 1 1    2    8   23 o   43.292   0.2654   46.282  128.200   1.01   0.78  -0.64  -0.86 
1 1 1    2    8   24 o   32.853   1.1801   24.470 -177.4000 -15.60  17.45   0.66  10.52 
1 1 1    2    8   25 o   40.359   0.5825   26.613 -122.5000   3.80  -5.97   1.38   2.28 
1 1 1    2    8   26 f   37.953   1.6439   23.881 -131.4000 -23.55  -3.07 -10.00  -1.63 
1 1 1    2    8   27 o   65.566   1.0452   70.690 -103.8000   1.61  -5.06   1.16   1.80 
1 1 1    2    8   28 o   39.778   0.7949   32.348  118.800  -9.34  -1.07  -4.17  -1.85 
1 1 1    2    8   29 o   0.0000   2.4385  ?   ?    0.04  -0.31   0.24   0.02 
1 1 1    2    8   30 o   18.804   0.5343   11.009 -86.9000   0.01  -5.15   1.87   0.32 
1 1 1    2    8   31 o   34.644   0.3090   42.266   95.900  -2.36   0.73  -0.51   2.02 
1 1 1    2    8   32 o   6.2603   1.3422   5.1723   15.000   3.63  -2.34  -0.26   0.79 
1 1 1    2    8   33 o   17.617   0.2728   24.576   5.5000   2.24  -1.21   0.95   3.34 
1 1 1    2    8   34 o   20.259   0.2798   21.074 -30.5000   1.02  -1.69   1.36  -0.20 
1 1 1    2    8   35 o   7.4391   1.2662   7.0060 -88.6000   0.55  -6.30   1.24   0.50 
1 1 1    2    8   36 o   6.6524   0.6380   7.1994 -119.7000  -1.16   0.80   0.69   0.59 
1 1 1    2    8   37 o   7.4239   0.9003   5.9348  113.500  -1.71   2.48  -0.06   0.61 
1 1 1    2    8   38 o   0.0000   2.6457  ?   ?   -0.32  -0.27  -0.08  -0.04 
1 1 1    2    8   39 o   4.2947   0.8658   7.3657 -99.9000  -0.82  -0.29  -0.13   0.06 
1 1 1    2    8   40 o   5.9592   0.6668   6.3722   67.300   0.67   0.54   0.15   0.10 
1 1 1    2    8   41 o   2.1241   1.2253   2.4970 -31.9000   0.18   0.04   0.01  -0.00 
1 1 1    2    8   42 o   8.1033   0.5618   4.3713   96.000  -1.05   0.46   0.04  -0.16 
1 1 1    2    8   43 f   4.8566   1.0268   0.9071  127.300  -0.28  -0.23   0.01  -0.01 
1 1 1    2   10    0 o   33.624   0.2245   37.649   0.0000  -0.17   0.00   0.00   0.00 
1 1 1    2   10    1 o   36.684   1.5461   25.909  170.100  -3.85   2.93  -0.69   1.62 
1 1 1    2   10    2 o   16.745   3.7133   34.161 -129.8000 -12.99 -15.11   0.71  -5.63 
1 1 1    2   10    3 o   17.077   0.2841   42.283 -144.1000  -0.12  -0.32   0.33  -0.12 
1 1 1    2   10    4 o   67.579   2.1657   67.285  102.100   2.75   6.96   1.35  -1.83 
1 1 1    2   10    5 f   18.114   3.3326   16.363   69.900  28.44   8.88  -7.20  -5.40 
1 1 1    2   10    6 o   10.524   2.4674   8.9390   42.800  10.27  -0.22  -1.96   0.03 
1 1 1    2   10    7 o   37.593   2.6336   38.187  111.700   8.46  17.62   2.56  -3.82 
1 1 1    2   10    8 o   33.620   0.4145   34.925 -77.9000   0.62   0.78  -3.59  -1.09 
1 1 1    2   10    9 f   67.405   0.9512   70.860 -56.1000  -7.38 -11.88   1.24  -6.74 
1 1 1    2   10   10 o   36.358   3.1337   31.961 -77.4000   4.88 -28.09   6.09   1.72 
1 1 1    2   10   11 o   27.132   2.0195   35.070  117.300 -19.16  -4.41  -8.34  -5.08 
1 1 1    2   10   12 o   29.763   0.8875   8.2891 -172.9000  -2.81   5.52   3.73   3.19 
1 1 1    2   10   13 f   18.822   0.7801   8.4134  -8.6000   1.61   1.87   0.17  -0.80 
1 1 1    2   10   14 o   24.752   1.1672   24.587   64.600   0.52   6.31   1.66  -0.36 
1 1 1    2   10   15 o   17.815   1.6634   25.409 -174.6000  -8.79 -11.81   1.42  -4.35 
1 1 1    2   10   16 o   52.532   1.8470   41.500 -10.4000  17.18  18.76   1.73 -10.75 
1 1 1    2   10   17 o   51.185   2.7470   50.335   17.400  26.88   6.80  -7.21  -4.41 
1 1 1    2   10   18 f   41.438   1.2351   56.304  138.000  -6.36   0.80  -2.67   0.39 
1 1 1    2   10   19 o   83.866   1.6137   79.300  165.000  -3.70   3.39  -0.24   0.89 
1 1 1    2   10   20 o   31.347   3.1890   17.644 -139.5000  -6.27 -21.46   2.80  -1.68 
1 1 1    2   10   21 o   49.348   0.9062   46.759   0.5000   4.22  -5.28   0.24   2.32 
1 1 1    2   10   22 o   83.303   0.4641   88.124   37.000   0.32   0.14   0.16  -0.15 
1 1 1    2   10   23 o   39.186   0.4730   26.175 -124.5000   9.85  -1.63 -10.90   5.67 
1 1 1    2   10   24 o   28.464   0.7699   31.587  132.800   0.46   3.33   1.28  -0.13 
1 1 1    2   10   25 o   25.156   1.0457   19.426  133.000  -5.37   2.84  -0.80   1.49 
1 1 1    2   10   26 f   18.935   1.0010   31.946 -159.8000  -9.36   5.11  -1.34   2.38 
1 1 1    2   10   27 o   21.040   1.3693   18.079  135.000 -17.51   7.79  -3.25   3.27 
1 1 1    2   10   28 o   19.217   0.4783   17.582 -91.5000  -2.35  -1.60  -0.17  -0.66 
1 1 1    2   10   29 o   33.158   1.3986   35.836 -136.6000 -40.98   4.80 -15.55   5.48 
1 1 1    2   10   30 o   10.030   0.3887   14.049 -157.0000   0.02   0.00   0.00  -0.00 
1 1 1    2   10   31 o   6.6750   0.6121   12.805   90.600  -1.62   1.31  -0.38   0.72 
1 1 1    2   10   32 o   0.0000   2.3866  ?   ?    0.08   0.05  -0.06   0.21 
1 1 1    2   10   33 o   6.5524   0.5780   3.8276   5.0000  -0.14  -0.81   0.21   0.05 
1 1 1    2   10   34 o   9.9748   0.6003   11.839 -90.0000   0.30  -3.00   0.56   0.35 
1 1 1    2   10   35 o   4.5666   0.8045   1.8384  -5.8000  -0.75   0.74  -0.21   0.22 
1 1 1    2   10   36 o   0.0000   2.5295  ?   ?    0.23  -0.16   0.21  -0.12 
1 1 1    2   10   37 f   6.1120   0.6643   3.7078   93.500  -0.11  -0.05   0.01   0.00 
1 1 1    2   10   38 o   6.0985   0.6637   7.3201   85.300  -0.45  -1.88   0.45   0.37 
1 1 1    2   10   39 o   9.7820   0.4447   6.0884 -79.8000  -0.31  -1.01  -0.20  -0.05 
1 1 1    2   10   40 o   4.6749   0.7598   3.0230  119.000   0.59   0.26   0.01   0.11 
1 1 1    2   10   41 o   4.5624   1.1156   9.2916 -141.9000  -0.29  -0.55   0.03   0.00 
1 1 1    2   10   42 o   5.5756   0.7771   0.6703 -125.5000   0.01   0.02   0.00   0.00 
1 1 1    2   12    0 o   45.129   0.3070   62.989  -0.0000   1.04   0.00   0.00   0.00 
1 1 1    2   12    1 o   21.126   1.5190   17.717 -13.0000   7.12 -13.67   7.26   8.44 
1 1 1    2   12    2 o   75.523   2.1558   79.947  131.700  -1.75  13.20   6.07  -0.35 
1 1 1    2   12    3 o   29.218   0.5922   28.359   86.300  -0.36   0.46   0.23   0.20 
1 1 1    2   12    4 o   34.140   1.0815   49.897 -121.3000  -0.52  -1.40   0.22  -0.36 
1 1 1    2   12    5 o   52.760   0.9466   37.902 -147.6000  -2.54   0.85  -0.55   1.32 
1 1 1    2   12    6 o   74.904   0.3588   69.183 -29.6000  -1.08  -0.12   0.27  -0.84 
1 1 1    2   12    7 o   36.365   0.9849   45.930 -113.1000  11.16  -3.93  -5.96   4.06 
1 1 1    2   12    8 o   46.459   2.0873   28.046   66.900   9.56  14.06   1.84  -3.99 
1 1 1    2   12    9 o   69.357   1.7701   60.082 -34.9000   8.44  -7.68   0.04   2.98 
1 1 1    2   12   10 o   45.596   0.3919   37.000   97.600   3.32   2.88  -1.83  -4.63 
1 1 1    2   12   11 f   89.672   1.5764   83.624   97.500  -7.82   4.17  -2.21   2.20 
1 1 1    2   12   12 o   43.645   2.1961   60.788 -136.2000 -19.49  -4.31  -4.27  -1.74 
1 1 1    2   12   13 o   51.007   0.2873   67.135  150.200   0.36   1.43   1.23  -2.55 
1 1 1    2   12   14 o   42.864   0.6190   40.760 -48.5000   3.68   0.42  -1.98  -0.14 
1 1 1    2   12   15 o  123.553   1.1326  133.196 -56.7000   1.35  -0.16  -0.58  -0.47 
1 1 1    2   12   16 o   34.454   1.4798   43.824   50.600   7.59   1.59  -2.34  -1.23 
1 1 1    2   12   17 f   38.428   0.8523   44.206 -168.8000  -1.66   1.56   0.01   0.32 
1 1 1    2   12   18 o   34.871   1.8777   43.935 -164.5000 -22.40 -11.69  -4.83  -7.57 
1 1 1    2   12   19 o   71.136   1.4959   57.796  147.200 -19.95  -7.31  -4.08  -2.90 
1 1 1    2   12   20 o   54.535   0.7098   51.422   9.3000   4.63   3.18  -0.63  -5.00 
1 1 1    2   12   21 o   54.815   0.9737   52.834   17.500   5.44  -2.78  -0.72   1.68 
1 1 1    2   12   22 o   37.590   1.2927   32.748   90.100   4.10   3.26  -0.33  -0.88 
1 1 1    2   12   23 o   19.704   0.4828   17.581  -6.2000   1.16   2.63   1.15  -1.94 
1 1 1    2   12   24 o   24.315   0.6916   25.007 -78.1000   7.17  -1.88  -2.36   1.03 
1 1 1    2   12   25 f   41.008   0.2355   32.751  109.600  -0.46   0.50  -0.97   0.30 
1 1 1    2   12   26 o   4.3279   0.6595   6.2283 -154.7000  -1.21   1.58   0.23   1.40 
1 1 1    2   12   27 o   14.933   0.2442   8.5303 -129.8000   1.85   0.98  -0.60  -2.72 
1 1 1    2   12   28 o   0.3099   0.8336   9.8659 -179.4000  -0.45   0.46   0.15   0.50 
1 1 1    2   12   29 o   16.348   0.4660   10.147 -92.4000  -3.38  -0.66  -1.63  -0.06 
1 1 1    2   12   30 o   11.036   0.3823   10.824 -160.2000  -3.17   2.58  -1.34   2.34 
1 1 1    2   12   31 o   12.206   0.3315   4.5611   88.700  -0.77  -0.41   0.41  -0.54 
1 1 1    2   12   32 o   7.2921   0.5230   6.9595   41.200  -1.11   0.11  -0.19   1.31 
1 1 1    2   12   33 f   12.317   0.3269   5.0905  134.900  -0.51  -0.15  -0.01  -0.05 
1 1 1    2   12   34 o   4.3519   0.6799   6.1465   41.300   0.92  -0.68   0.80   0.67 
1 1 1    2   12   35 o   6.4677   0.5658   7.1182   36.400   0.70   0.98   0.42   0.99 
1 1 1    2   12   36 o   7.7688   0.5054   9.9152 -148.7000  -1.63   0.38   0.66   0.81 
1 1 1    2   12   37 o   4.2240   0.8472   1.4447 -167.2000  -0.75   0.98   0.29  -0.02 
1 1 1    2   12   38 o   4.2134   0.8346   3.3917   12.400   0.55  -0.05  -0.01   0.04 
1 1 1    2   12   39 o   12.119   0.4860   8.5923 -112.9000  -0.74  -1.79  -0.19  -0.19 
1 1 1    2   12   40 o   4.3494   0.8382   3.8699 -152.2000   0.03   0.03   0.00   0.00 
1 1 1    2   12   41 f   8.2318   0.6531   3.8109 -173.7000  -0.27  -0.58  -0.03  -0.02 
1 1 1    2   14    0 f  111.033   1.0390   91.615  -0.0000   0.11   0.00   0.00   0.00 
1 1 1    2   14    1 o   38.299   4.1651   29.022 -119.9000 -36.38 -50.51   4.02 -11.24 
1 1 1    2   14    2 o   15.325   0.5523   24.038 -81.3000  -1.92  -1.16  -0.29  -0.64 
1 1 1    2   14    3 o   83.445   1.5558   76.142  -7.1000  10.88  18.95   5.62  -7.31 
1 1 1    2   14    4 o   60.367   0.3337   59.611  154.200  -0.95   0.87  -0.95   1.13 
1 1 1    2   14    5 o   66.651   1.8674   58.495  100.400  -1.21  11.34   2.74   0.30 
1 1 1    2   14    6 f   18.279   1.8302   13.657 -173.4000  -9.37  -0.97  -1.59  -0.29 
1 1 1    2   14    7 o  100.796   0.8787   95.502 -117.6000  -2.59  -1.31  -3.56  -0.40 
1 1 1    2   14    8 o   56.281   1.2758   56.633   17.300   1.73   4.87   1.20  -1.28 
1 1 1    2   14    9 o   86.178   0.9079   66.643 -11.4000   4.14   3.57  -0.73  -1.87 
1 1 1    2   14   10 o   60.948   1.6517   51.900  141.500  -6.27  -6.73  -0.14  -3.04 
1 1 1    2   14   11 o   98.443   3.2048   74.621   94.500  -0.74  20.44   4.12   0.74 
1 1 1    2   14   12 o   66.806   1.0050   62.528 -100.7000  -2.60  -1.07  -0.33  -0.47 
1 1 1    2   14   13 o   50.367   2.6269   51.407 -158.1000 -15.02  -7.61  -1.97  -3.05 
1 1 1    2   14   14 f   66.028   0.3044   39.820 -34.2000   0.01  -1.13   0.23  -0.06 
1 1 1    2   14   15 o   65.333   0.5416   60.026 -147.8000  -8.07   7.46   0.40   5.57 
1 1 1    2   14   16 o   86.758   0.4624   81.730  114.500  -0.75   0.45  -1.27  -1.50 
1 1 1    2   14   17 o   61.492   0.5971   45.068  -5.1000   1.80   1.42   0.11  -1.23 
1 1 1    2   14   18 o   54.763   0.2774   31.747 -117.5000   0.10  -0.41  -0.45   0.31 
1 1 1    2   14   19 o   41.488   1.7665   25.432   21.600   8.70   8.45   0.26  -3.17 
1 1 1    2   14   20 o   32.336   0.2786   39.388 -44.1000   0.34  -0.48   0.30   0.21 
1 1 1    2   14   21 o   38.558   1.5687   52.910  100.500   9.97   7.37  -1.69  -3.78 
1 1 1    2   14   22 o   26.692   0.6455   29.894 -65.1000   5.18  -3.32  -0.95   1.57 
1 1 1    2   14   23 o   6.2422   0.4331   18.530 -70.7000   0.28  -0.62   0.17   0.25 
1 1 1    2   14   24 o   4.2821   0.9736   4.9696  108.400  -1.29   1.63   0.07   0.39 
1 1 1    2   14   25 o   0.0000   2.1363  ?   ?   -0.54   0.58  -0.02   0.38 
1 1 1    2   14   26 o   5.0732   0.8440   9.7521  138.800  -0.24   1.02   0.09   0.04 
1 1 1    2   14   27 o   17.420   0.2276   12.910   29.000  -2.26   0.14  -1.71   1.75 
1 1 1    2   14   28 f   15.291   0.2637   20.940   98.200  -1.25   0.29  -1.24  -0.53 
1 1 1    2   14   29 o   13.539   0.2727   14.072 -93.0000   0.06  -1.24   0.32  -0.17 
1 1 1    2   14   30 o   2.6336   1.2517   7.4749 -67.0000  -0.83  -0.45  -0.12  -0.12 
1 1 1    2   14   31 f   2.5694   0.9413   2.3741  -8.1000   0.22  -0.56   0.03   0.33 
1 1 1    2   14   32 o   5.0004   0.6366   5.7821 -52.9000  -0.02  -0.11  -0.03   0.01 
1 1 1    2   14   33 f   17.392   0.5775   17.444   76.000  -4.23   6.28  -0.97   3.71 
1 1 1    2   14   34 o   3.5634   0.8946   5.0756 -113.9000  -0.04  -0.04  -0.00  -0.00 
1 1 1    2   14   35 o   1.5782   1.1795   3.6529   81.600  -0.42   0.58   0.19   0.06 
1 1 1    2   14   36 o   5.2177   0.6411   4.1037  161.700  -0.03  -0.03   0.00   0.00 
1 1 1    2   14   37 f   6.3966   0.5788   3.1195 -61.8000   1.72  -0.44   0.34   0.40 
1 1 1    2   14   38 o   1.9185   1.2512   1.4438 -148.8000  -0.07   0.25  -0.02   0.01 
1 1 1    2   14   39 o   7.2940   0.5679   8.5612 -160.9000  -1.81  -0.06  -0.09   0.46 
1 1 1    2   14   40 o   8.9602   0.7437   2.3673  134.000  -0.07  -0.10  -0.00   0.00 
1 1 1    2   16    0 f   84.249   0.4915   72.886  180.000  -0.48   0.00   0.00   0.00 
1 1 1    2   16    1 o   57.935   1.5320   61.614 -49.4000   2.73 -10.84   4.20   1.71 
1 1 1    2   16    2 o   66.855   1.6046   59.484 -25.7000   5.23  -9.06   1.80   2.44 
1 1 1    2   16    3 o   48.622   0.2616   52.753  133.200   0.10   0.36   0.09  -0.28 
1 1 1    2   16    4 f   20.707   1.1653   25.165   63.900  -4.08  -2.36  -0.56  -1.08 
1 1 1    2   16    5 o   32.352   0.2993   36.889 -142.3000  -1.33   0.06  -1.11   0.41 
1 1 1    2   16    6 o   39.185   2.4565   41.261  113.400   0.48   8.90   0.93  -0.06 
1 1 1    2   16    7 o   52.520   0.2810   49.618   0.8000  -0.34  -2.75   1.04  -0.06 
1 1 1    2   16    8 f   15.941   1.4701   2.6306 -43.1000 -12.70  24.88   6.65   8.86 
1 1 1    2   16    9 o   29.136   1.3330   45.396 -54.1000  -7.87 -13.73   1.89  -3.49 
1 1 1    2   16   10 o   39.335   1.7773   41.015  162.600 -15.99 -17.14   0.17  -6.18 
1 1 1    2   16   11 f   30.307   1.2922   26.456  154.900 -18.27  -3.79  -6.83  -3.32 
1 1 1    2   16   12 o   59.237   1.5706   54.275   21.500  14.78   0.32  -3.13   0.10 
1 1 1    2   16   13 o   30.512   0.5565   10.947 -58.8000   2.31  -0.29  -0.76   0.10 
1 1 1    2   16   14 o   57.745   0.2803   68.401 -147.0000  -0.04  -0.29   0.01  -0.11 
1 1 1    2   16   15 o   85.261   0.3757   81.022  100.500   0.05   0.28  -0.04  -0.06 
1 1 1    2   16   16 o   12.174   0.3745   6.1302 -88.5000  -1.57  -0.22  -1.27  -0.62 
1 1 1    2   16   17 o   12.696   0.2270   11.145 -33.1000  -0.82  -0.34  -1.07  -0.58 
1 1 1    2   16   18 o   3.2722   1.4766   2.8809 -39.8000   1.47  -1.85   0.13   0.66 
1 1 1    2   16   19 o   19.980   0.5054   24.474 -98.2000  -1.70  -1.35  -0.05  -0.53 
1 1 1    2   16   20 o   14.465   0.9576   7.5630 -99.3000  -3.06  -6.13   0.71  -1.04 
1 1 1    2   16   21 o   18.369   0.3373   16.926  137.100   0.56   1.67   0.65  -0.27 
1 1 1    2   16   22 o   20.949   0.2008   23.739 -50.9000   1.32   0.05  -1.67  -1.83 
1 1 1    2   16   23 o   20.160   0.8278   18.628   49.400   9.12   3.32  -2.18  -1.48 
1 1 1    2   16   24 o   30.044   0.2100   33.448  106.200  -0.95   0.58  -0.94  -0.64 
1 1 1    2   16   25 f   33.027   0.4054   32.329 -93.5000   0.73  -1.80  -0.21   1.02 
1 1 1    2   16   26 o   5.1815   0.5417   2.1624   50.100   0.53   1.23   0.18  -0.30 
1 1 1    2   16   27 o   16.989   0.3788   13.687   84.200   0.05   3.12   1.54   1.08 
1 1 1    2   16   28 o   15.397   0.6241   16.736 -92.6000   4.03  -2.40  -0.20   1.18 
1 1 1    2   16   29 o   9.7743   0.3366   10.057 -116.5000   1.13  -1.52  -1.34   1.46 
1 1 1    2   16   30 o   3.2746   0.8061   3.0729  148.500  -0.53  -0.36  -0.26  -0.08 
1 1 1    2   16   31 o   8.9633   0.4091   6.7849  -0.0000   1.46   0.58  -0.52   0.15 
1 1 1    2   16   32 o   9.7666   0.3745   6.9843 -70.0000  -0.48   0.12  -0.04  -0.10 
1 1 1    2   16   33 f   14.073   0.3628   13.011   60.500  -1.02   1.61   0.39  -0.07 
1 1 1    2   16   34 o   7.3573   0.4868   3.1971 -46.6000   1.30  -2.15  -0.32   0.52 
1 1 1    2   16   35 o   10.087   0.3880   9.3545   54.600   1.53   0.69   0.57   0.11 
1 1 1    2   16   36 o   3.2943   0.8592   1.3471   9.4000   1.14  -0.00   0.07   0.34 
1 1 1    2   16   37 o   2.9176   1.0108   2.8555 -115.1000  -0.35  -0.23   0.03  -0.03 
1 1 1    2   16   38 o   7.4228   0.7791   6.4221  169.200  -0.86   0.24   0.12  -0.01 
1 1 1    2   18    0 o   34.530   0.2344   27.588  -0.0000   0.21   0.00   0.00   0.00 
1 1 1    2   18    1 o   34.926   0.4572   36.061 -66.3000   0.06  -2.71   0.97  -0.08 
1 1 1    2   18    2 o   26.312   1.7344   27.617   90.500  27.95  29.55   0.47 -15.03 
1 1 1    2   18    3 o   24.329   0.5397   6.7473 -142.0000  -0.42  -1.55   0.69  -0.22 
1 1 1    2   18    4 o   28.964   0.4850   13.260 -23.0000   0.84   2.22   2.62  -1.04 
1 1 1    2   18    5 o   6.8858   0.5453   13.445 -28.5000  -0.34  -2.01   0.84  -0.34 
1 1 1    2   18    6 o   37.591   0.8380   51.442  123.600  -1.51  -0.60  -0.40  -0.88 
1 1 1    2   18    7 o   24.390   0.6193   20.521   31.000  -0.02   1.35   0.27  -0.04 
1 1 1    2   18    8 o   31.398   1.0836   40.091 -59.5000   6.29  -1.56  -2.71   0.96 
1 1 1    2   18    9 o   38.810   0.4319   34.639   93.500   0.04  -0.01  -0.00  -0.00 
1 1 1    2   18   10 o   78.257   0.3719   72.826  154.300  -0.39   0.81   0.34  -0.04 
1 1 1    2   18   11 o   57.841   0.6122   51.659 -50.6000   0.70   0.51  -0.05  -0.07 
1 1 1    2   18   12 o   15.715   0.5447   17.010 -44.8000  -1.48  -6.60   3.45  -1.98 
1 1 1    2   18   13 o   26.171   0.1662   24.805 -151.7000  -0.18  -0.80   0.26  -0.27 
1 1 1    2   18   14 o   15.553   0.8154   9.8461  -7.5000   9.76  -0.26  -3.55   0.38 
1 1 1    2   18   15 o   31.265   0.3271   28.776   80.000  -0.23   0.60   0.09   0.04 
1 1 1    2   18   16 o   38.202   0.4258   35.709 -134.8000  -2.14  -3.19   0.82  -1.13 
1 1 1    2   18   17 o   7.2080   0.2877   8.7132 -102.4000   0.36   0.04  -0.07  -0.03 
1 1 1    2   18   18 o   22.918   0.4515   18.245   17.500  -1.08   2.80   1.17   0.62 
1 1 1    2   18   19 o   11.328   0.2339   9.5553 -37.2000   0.03   0.03  -0.03   0.02 
1 1 1    2   18   20 o   10.179   0.2810   6.9923 -19.8000   3.86   3.06   0.25  -6.16 
1 1 1    2   18   21 o   8.2325   0.4326   5.3165   72.500   0.27   0.52   0.02  -0.05 
1 1 1    2   18   22 o   15.092   0.3201   12.131   56.100   1.12   1.15  -0.28  -0.65 
1 1 1    2   18   23 f   30.219   0.3437   30.395  146.300  -1.58   1.08  -0.48   0.16 
1 1 1    2   18   24 o   20.715   0.5073   19.500   83.900  -3.67   2.80   0.06   0.86 
1 1 1    2   18   25 o   1.1296   1.0008   4.9682 -103.1000   0.40  -0.09  -0.24  -0.04 
1 1 1    2   18   26 o   19.555   0.6799   13.123  126.000  -8.63   5.79  -2.89   2.94 
1 1 1    2   18   27 o   9.8176   0.5012   5.1659 -26.8000   2.01  -0.37  -0.21   0.18 
1 1 1    2   18   28 o   23.487   0.4213   29.739 -118.1000  -0.09  -4.36   0.84   0.55 
1 1 1    2   18   29 o   4.9030   0.5845   2.7368 -142.6000  -0.62   0.13  -0.01   0.16 
1 1 1    2   18   30 o   5.4047   0.5354   3.8864  -1.9000   0.44  -1.25   0.37  -0.06 
1 1 1    2   18   31 o   6.5750   1.0978   4.5104 -29.1000   2.52  -0.54  -0.15   0.19 
1 1 1    2   18   32 o   3.3333   1.1917   3.0347 -68.0000   0.68  -1.70   0.06   0.33 
1 1 1    2   18   33 o   5.2439   0.8050   9.1034   84.400  -0.68   0.02  -0.02   0.03 
1 1 1    2   18   34 o   4.2125   1.0891   2.9430  -2.8000   0.45   1.21   0.13   0.01 
1 1 1    2   18   35 o   6.5105   0.5429   4.7356  -7.4000  -0.20   0.42  -0.02   0.03 
1 1 1    2   18   36 o   7.2818   0.8554   5.6910   86.300  -0.30   1.13   0.07  -0.07 
1 1 1    2   20    0 f   20.107   0.1652   28.843  180.000  -0.07   0.00   0.00   0.00 
1 1 1    2   20    1 o   14.332   1.4031   14.641  128.300  -4.75  21.66   5.59   2.40 
1 1 1    2   20    2 o   29.479   0.6418   26.921   8.9000   5.04   0.42  -1.55  -0.05 
1 1 1    2   20    3 f   24.909   1.4320   20.863 -73.6000   0.75 -12.91   2.27   0.15 
1 1 1    2   20    4 o   24.644   0.7245   33.429   68.700  -0.65   5.20   1.19   0.43 
1 1 1    2   20    5 o   13.086   0.3802   6.5508   58.700  -1.05  -2.79   1.38  -0.98 
1 1 1    2   20    6 o   46.217   0.2616   43.800  134.400   1.02   1.24  -0.21  -0.70 
1 1 1    2   20    7 o   21.146   0.9498   26.593 -101.6000   3.17 -12.13   3.67   1.76 
1 1 1    2   20    8 o   43.608   0.8508   43.011 -118.1000   6.50  -4.16  -1.61   2.25 
1 1 1    2   20    9 o   26.323   0.8368   25.513  135.200   0.94  10.12   3.53  -1.02 
1 1 1    2   20   10 o   22.041   0.5583   15.386 -170.3000  -4.22  -3.32  -0.57  -1.46 
1 1 1    2   20   11 o   41.590   0.9815   32.657   1.5000   7.97   2.54  -1.54  -1.68 
1 1 1    2   20   12 o   19.978   0.1473   17.804  100.500  -0.63   0.50  -1.46   0.77 
1 1 1    2   20   13 o   19.142   0.6694   8.5716 -177.1000  -6.09  -1.52  -1.36  -0.92 
1 1 1    2   20   14 o   34.085   0.1942   33.148 -21.8000   0.67   0.25  -0.10  -0.03 
1 1 1    2   20   15 o   10.342   0.7364   10.612 -127.1000  -6.79  -4.74  -1.30  -2.67 
1 1 1    2   20   16 f   16.599   0.1599   18.663 -133.9000  -1.37   0.12  -0.83  -0.32 
1 1 1    2   20   17 o   4.9709   0.5121   13.301   1.6000   2.65   0.41  -1.20  -0.22 
1 1 1    2   20   18 o   30.679   0.1961   28.082   61.500   0.58  -1.01  -0.32   0.49 
1 1 1    2   20   19 o   19.089   0.1839   18.606 -139.4000   0.06  -2.45   0.91   0.70 
1 1 1    2   20   20 o   4.4313   0.6557   4.4894 -28.5000   2.46   0.27  -0.41  -0.15 
1 1 1    2   20   21 o   13.515   0.2843   9.4977   20.300   1.03  -0.14  -0.24   0.35 
1 1 1    2   20   22 o   15.222   0.2052   17.915 -127.5000   0.29   0.71   0.34   0.15 
1 1 1    2   20   23 o   9.0136   0.2959   3.4019  137.800  -0.66  -0.75  -0.37  -0.42 
1 1 1    2   20   24 o   2.3002   0.8634   3.8250   76.500   0.01  -0.11   0.00   0.00 
1 1 1    2   20   25 o   13.140   0.2404   14.401   85.600   0.66   0.16   0.06  -0.18 
1 1 1    2   20   26 f   10.075   0.4700   8.1473  131.000  -3.98  -0.55  -1.03  -1.18 
1 1 1    2   20   27 o   6.4922   0.4344   7.2193 -73.2000  -0.47   0.21   0.32  -0.09 
1 1 1    2   20   28 o   3.7449   0.7534   3.5726 -152.5000  -0.34  -0.49  -0.01  -0.04 
1 1 1    2   20   29 o   4.9462   0.5943   0.9478 -130.8000   0.71  -0.57   0.05   0.08 
1 1 1    2   20   30 o   2.5874   1.2372   4.2907  -4.9000   0.43   0.30   0.01  -0.03 
1 1 1    2   20   31 o   5.4521   0.5661   4.1511 -113.7000  -0.14  -0.15   0.01  -0.00 
1 1 1    2   20   32 o   3.2254   0.7890   3.3296 -125.7000  -0.12  -0.18  -0.00   0.05 
1 1 1    2   20   33 o   4.5633   0.9481   1.8926  145.900   0.31   0.18  -0.02   0.03 
1 1 1    2   22    0 o   4.8683   0.2161   8.1835   0.0000  -0.03   0.00   0.00   0.00 
1 1 1    2   22    1 o   16.226   0.8129   18.095   6.3000   9.65   2.59  -1.61  -1.06 
1 1 1    2   22    2 f   25.836   0.5300   27.822 -106.3000   3.14  -3.04   0.40   1.97 
1 1 1    2   22    3 o   8.3896   0.6430   15.897 -170.7000  -5.73  -4.95  -0.25  -2.58 
1 1 1    2   22    4 o   32.587   0.6956   31.415  105.200  -1.38   6.61   1.91   0.20 
1 1 1    2   22    5 o   21.200   0.5410   12.010   46.600   1.49   1.97   0.55  -0.72 
1 1 1    2   22    6 o   30.244   0.5724   20.044   27.800   0.44   3.63   2.16   0.82 
1 1 1    2   22    7 o   18.225   0.1563   24.459 -101.2000   0.65   0.50  -1.99   0.77 
1 1 1    2   22    8 o   10.775   0.7432   13.846  141.600  -3.53   7.26   1.56   1.64 
1 1 1    2   22    9 o   15.161   0.1746   7.2813  177.100  -0.68   0.09  -0.22   0.30 
1 1 1    2   22   10 o   13.473   0.5392   11.862 -115.8000  -2.60  -5.19   0.77  -1.41 
1 1 1    2   22   11 o   9.1481   0.7802   11.246  152.400  -3.27   6.44   0.94   1.10 
1 1 1    2   22   12 o   13.145   0.9329   11.521 -101.3000  -6.37  -5.26  -0.16  -1.81 
1 1 1    2   22   13 o   15.799   0.4471   11.594   9.0000   1.55   2.57   1.25  -0.93 
1 1 1    2   22   14 f   8.4058   0.6398   9.9683   14.200   2.29   4.03   0.69  -0.88 
1 1 1    2   22   15 o   7.2186   0.2013   9.0150   1.0000   0.53   0.36   0.06  -0.39 
1 1 1    2   22   16 o   15.426   0.1560   11.317  155.500  -2.00   0.01  -1.41  -1.49 
1 1 1    2   22   17 o   12.388   0.5381   8.5741   19.300   6.84   1.48  -2.40  -0.45 
1 1 1    2   22   18 o   3.8850   0.4009   2.4681 -42.1000   0.06  -0.26  -0.59   0.33 
1 1 1    2   22   19 o   17.123   0.2249   13.007 -133.2000  -0.82  -5.77   1.61   0.10 
1 1 1    2   22   20 o   10.220   0.2251   9.5490   39.200   0.97   2.15   0.69  -0.34 
1 1 1    2   22   21 o   2.8905   0.5901   5.8197  130.000   0.02  -0.37   0.08  -0.06 
1 1 1    2   22   22 o   16.327   0.1911   15.064 -159.3000  -0.76  -2.07   0.75   0.17 
1 1 1    2   22   23 o   5.5430   0.3786   1.9478   73.100   0.31   0.35   0.08  -0.05 
1 1 1    2   22   24 o   7.5921   0.3176   5.7044  151.300  -0.23   0.98  -0.08   0.38 
1 1 1    2   22   25 o   7.6048   0.3305   3.5712  167.400  -1.37  -0.14  -0.27   0.39 
1 1 1    2   22   26 o   4.1053   0.5657   3.3040 -34.0000  -0.12  -0.02   0.01   0.00 
1 1 1    2   22   27 o   6.6951   0.5326   6.2688 -11.1000   1.15  -0.40  -0.02   0.11 
1 1 1    2   22   28 o   4.4555   1.9538   3.7560   13.900   0.52  -0.51   0.00   0.02 
1 1 1    2   22   29 o   7.1261   0.3988   6.8606 -90.9000  -0.35   0.27   0.02  -0.15 
1 1 1    2   22   30 f   6.6176   0.6755   4.4211 -41.5000   0.44  -0.72  -0.04   0.06 
1 1 1    2   24    0 f   15.893   0.1527   21.266   0.0000   0.42   0.00   0.00   0.00 
1 1 1    2   24    1 o   20.920   0.1498   15.164 -62.8000   1.47  -0.29  -0.94  -0.77 
1 1 1    2   24    2 o   16.171   0.5460   19.501 -172.6000  -3.32  -5.68   1.06  -1.21 
1 1 1    2   24    3 o   9.8960   0.4550   7.5392   96.900   3.21   4.33   0.24  -2.22 
1 1 1    2   24    4 o   14.728   0.5098   10.219  -6.2000   3.50   2.79   0.02  -1.15 
1 1 1    2   24    5 o   4.4830   0.9191   2.7678   5.6000   3.05   6.27   1.01  -1.13 
1 1 1    2   24    6 o   5.7995   0.4545   6.1882 -158.7000  -2.26  -2.90   0.51  -1.23 
1 1 1    2   24    7 o   14.918   0.6450   11.335  132.600  -9.30  -1.85  -3.55  -2.56 
1 1 1    2   24    8 o   12.393   0.4732   8.7171   53.900   3.03   4.02   1.34  -2.00 
1 1 1    2   24    9 o   10.696   0.2843   9.7075 -76.2000   1.51  -0.24  -0.74  -0.16 
1 1 1    2   24   10 f   12.669   0.1751   10.293  168.400   0.70   2.04   0.22  -0.33 
1 1 1    2   24   11 o   6.8523   0.2535   5.4031 -107.5000  -2.14   1.47  -0.08   1.19 
1 1 1    2   24   12 o   10.180   0.3388   8.4292 -108.8000   0.00   0.15   0.01   0.01 
1 1 1    2   24   13 o   5.5466   0.2105   4.9710  -1.9000   0.11   0.64   0.59   0.27 
1 1 1    2   24   14 o   11.392   0.2324   7.2029  -6.1000  -0.12   1.36   0.56  -0.37 
1 1 1    2   24   15 o   9.5609   0.1755   9.4470   47.600  -0.35  -0.39  -0.42  -0.03 
1 1 1    2   24   16 o   6.3028   0.2233   8.2866   7.9000   0.36   0.98   0.63  -0.00 
1 1 1    2   24   17 o   4.3778   0.5490   6.3189   62.300   3.93  -0.05  -0.89   0.20 
1 1 1    2   24   18 o   2.4953   0.4795   3.9726 -70.0000   0.20  -0.13  -0.09   0.00 
1 1 1    2   24   19 o   2.7166   1.0085   3.1452 -97.4000  -0.48  -0.93   0.06  -0.05 
1 1 1    2   24   20 o   8.8854   0.3072   12.463  107.700   0.13   1.28   0.11  -0.11 
1 1 1    2   24   21 o   5.1670   0.3638   7.9702 -164.8000  -1.04   0.26  -0.08   0.18 
1 1 1    2   24   22 o   8.5137   0.3225   8.8158  167.600  -0.38   0.21  -0.02   0.00 
1 1 1    2   24   23 o   3.4119   0.5290   3.3278 -179.9000   0.37  -0.40   0.12   0.04 
1 1 1    2   24   24 o   5.6930   0.5055   4.9916 -175.9000   0.24  -0.00  -0.00   0.00 
1 1 1    2   24   25 o   1.4869   0.9216   2.0733 -125.6000  -0.37  -0.15  -0.12   0.03 
1 1 1    2   24   26 o   6.8318   0.5045   5.7658  -7.0000   0.25   0.18   0.03  -0.00 
1 1 1    2   26    0 o   8.5088   0.1444   8.7956   0.0000   0.39   0.00   0.00   0.00 
1 1 1    2   26    1 o   2.0087   0.6192   7.1043 -163.7000  -1.28   1.18   0.03   0.48 
1 1 1    2   26    2 o   7.4307   0.5610   8.8255  152.900  -1.32   4.40   0.68   0.30 
1 1 1    2   26    3 o   8.9210   0.3600   12.215  -9.7000   3.55  -3.79   0.95   2.36 
1 1 1    2   26    4 o   9.9005   0.4722   9.5577 -161.0000  -2.05  -0.09  -0.18   0.03 
1 1 1    2   26    5 o   7.4038   0.9450   8.8915  163.200  -4.42  10.81   1.37   1.09 
1 1 1    2   26    6 o   6.4065   0.2349   7.8140 -54.5000  -0.03   0.15   0.00  -0.08 
1 1 1    2   26    7 o   2.2969   0.4932   4.9917   19.300   1.63  -1.47   0.13   0.87 
1 1 1    2   26    8 o   2.6523   0.4658   7.2356 -34.4000   0.14   0.32   0.11  -0.02 
1 1 1    2   26    9 f   4.5056   0.4496   5.2027 -145.0000   0.25  -2.83   0.71   0.39 
1 1 1    2   26   10 o   9.5237   0.2011   6.0203  107.900   0.44   0.14  -0.07   0.15 
1 1 1    2   26   11 o   2.6903   0.4945   5.2487 -102.3000  -0.54  -0.75  -0.08  -0.32 
1 1 1    2   26   12 o   1.4761   0.7525   3.1637  117.700   0.04   1.10   0.20  -0.07 
1 1 1    2   26   13 f   6.2365   0.2946   4.2334 -29.2000  -0.31   0.20   0.02  -0.23 
1 1 1    2   26   14 o   4.7681   0.3890   3.4139 -40.8000   0.59   0.11  -0.04  -0.08 
1 1 1    2   26   15 f   5.9339   0.3124   3.9453   39.100   1.59   0.92   0.05  -0.61 
1 1 1    2   26   16 f   1.8064   0.5712   3.9547 -60.7000  -0.05  -0.33   0.02  -0.02 
1 1 1    2   26   17 o   4.4401   0.3478   6.6534   97.000  -1.74   0.20  -0.48  -0.21 
1 1 1    2   26   18 o   3.8948   0.4245   3.6907   73.000   0.04  -0.34   0.01  -0.00 
1 1 1    2   26   19 o   2.2209   0.5378   1.1530 -94.0000  -0.10   0.06   0.04   0.01 
1 1 1    2   26   20 o   4.3175   0.4132   1.8657 -119.5000  -0.09  -0.34   0.02  -0.00 
1 1 1    2   26   21 o   6.0655   0.9715   4.3072 -81.8000  -0.66  -1.27   0.01  -0.10 
1 1 1    2   28    0 o   11.996   0.2089   16.499 -180.0000  -0.22   0.00   0.00   0.00 
1 1 1    2   28    1 o   4.7694   0.2239   1.3634 -41.0000   0.51  -0.41  -0.14   0.10 
1 1 1    2   28    2 o   9.0188   0.3956   5.7811 -82.8000  -0.02  -1.36   0.22  -0.35 
1 1 1    2   28    3 o   2.1366   0.4649   2.3443  141.100  -0.37   0.37  -0.18   0.16 
1 1 1    2   28    4 f   4.8877   0.2772   1.9301 -152.0000  -0.30  -2.57   0.66   0.13 
1 1 1    2   28    5 o   2.7516   0.4327   0.2858   69.300   0.21  -0.23  -0.23  -0.07 
1 1 1    2   28    6 o   12.210   0.1909   11.504   9.5000   1.27  -0.28   0.77  -0.38 
1 1 1    2   28    7 o   1.6353   0.5869   0.4713   26.000  -0.36   0.09  -0.15  -0.26 
1 1 1    2   28    8 o   6.1339   0.2660   4.5091   83.200   0.17   0.90   0.04  -0.28 
1 1 1    2   28    9 o   3.9258   0.3810   3.9816 -48.8000  -0.19  -0.51  -0.04  -0.16 
1 1 1    2   28   10 o   5.7169   0.4501   6.7606 -131.7000   0.75  -1.21   0.19   0.15 
1 1 1    2   28   11 o   0.7814   0.7757   0.2745   41.700   0.22  -0.20  -0.01   0.02 
1 1 1    2   28   12 o   3.9960   0.4283   2.1624  169.300  -0.39   0.47   0.25   0.08 
1 1 1    2   28   13 o   6.0305   0.3037   6.6822 -152.9000   0.61  -0.42   0.03   0.10 
1 1 1    2   28   14 o   5.0501   0.9470   2.6557 -136.3000   0.16   0.07   0.01   0.00 
1 1 1    3    1    1 o   51.048   0.6866   55.128  -4.3000   1.08  -0.67   0.20   0.91 
1 1 1    3    1    2 o   52.323   3.7971   18.822 -71.9000   6.11  -0.41  -1.46  -0.07 
1 1 1    3    1    3 o   29.121   4.5436   39.973   87.900   5.45  -4.39  -0.37   1.19 
1 1 1    3    1    4 o   32.732   0.8361   51.089 -64.2000  -1.29  -0.68  -0.18  -1.41 
1 1 1    3    1    5 o   86.565   4.1988   78.933 -164.5000  -6.77   6.54  -0.66   2.19 
1 1 1    3    1    6 o   75.375   1.3754   66.358  104.900   0.92   1.33  -0.33  -0.76 
1 1 1    3    1    7 o   98.229   4.5336   83.635   37.700   9.40  -2.99  -2.45   0.80 
1 1 1    3    1    8 o   71.700   0.9239   63.450 -138.0000   1.35  -1.70  -1.28   1.64 
1 1 1    3    1    9 o   70.794   3.1183   65.275  136.300  -3.05   4.87   0.87   1.01 
1 1 1    3    1   10 o   21.240   4.5650   13.517   23.700  -1.62   7.81   1.17   0.58 
1 1 1    3    1   11 o   93.306   4.1879   83.125 -173.5000 -17.24  13.01  -2.67   5.94 
1 1 1    3    1   12 o   24.993   1.4291   26.523   46.000   0.43   2.08   0.55  -0.17 
1 1 1    3    1   13 o  124.644   0.5881  106.872  -4.7000  -0.38  -0.07   0.14   0.13 
1 1 1    3    1   14 o   54.617   2.2595   43.569 -48.5000   7.34   0.77  -2.07  -0.13 
1 1 1    3    1   15 o   27.356   2.9614   16.231 -177.0000 -12.48   1.43  -3.19   0.56 
1 1 1    3    1   16 o   26.155   3.2804   38.390  124.400 -33.97   2.15 -10.37   1.89 
1 1 1    3    1   17 o   12.361   0.2012   7.9343   74.700  -2.06  -0.86 -15.12  -0.42 
1 1 1    3    1   18 o   46.016   4.2134   38.742 -152.4000 -59.46 -35.15  -9.49 -20.69 
1 1 1    3    1   19 o   39.184   1.8295   27.736   84.400  18.44   1.04  -9.90   0.42 
1 1 1    3    1   20 o   50.355   2.4453   54.363 -32.2000  38.31  12.80 -15.19 -12.86 
1 1 1    3    1   21 o   41.076   0.4081   37.533 -126.8000   0.06  -0.48   0.12   0.08 
1 1 1    3    1   22 o   58.346   1.2293   62.285  129.500  -5.70   2.55  -2.23   1.74 
1 1 1    3    1   23 o   19.724   0.2104   25.681 -29.8000  -0.15  -0.01   0.16  -1.11 
1 1 1    3    1   24 o   71.963   0.3446   54.846 -24.7000   0.47   0.24   0.62  -0.52 
1 1 1    3    1   25 o   30.434   1.0031   14.667 -57.6000  -0.57  -4.92   1.67  -0.55 
1 1 1    3    1   26 o   35.213   0.4416   37.316   49.800   2.36  -0.46  -2.81   2.31 
1 1 1    3    1   27 o   31.392   0.2173   30.165 -140.0000  -0.08  -0.07  -0.14  -0.01 
1 1 1    3    1   28 f   89.973   1.9167   84.075  168.000  -7.77   6.05   0.69   4.27 
1 1 1    3    1   29 o   38.898   0.5859   25.135 -45.0000   0.45  -2.46   0.43   0.29 
1 1 1    3    1   30 o   0.0000   2.3935  ?   ?    0.06   0.04  -0.14  -0.07 
1 1 1    3    1   31 o   19.542   0.2712   22.201 -36.2000   0.14  -0.25   0.64  -0.28 
1 1 1    3    1   32 o   17.876   0.2957   14.797 -106.4000  -0.54   0.65  -0.22   0.53 
1 1 1    3    1   33 o   14.721   0.4166   14.210 -106.7000   0.87  -2.19   0.62   1.00 
1 1 1    3    1   34 o   21.235   0.4048   24.477  176.000  -2.08  -3.16  -0.05  -1.51 
1 1 1    3    1   35 o   16.628   0.7005   16.915  150.700  -5.10   3.13  -1.62   1.70 
1 1 1    3    1   36 o   13.986   0.3674   21.596 -16.2000   1.03   0.36   0.35  -0.62 
1 1 1    3    1   37 f   7.0006   0.5867   12.233  159.000   0.31  -0.63  -0.01   0.15 
1 1 1    3    1   38 o   7.7448   1.0104   9.3711   54.700   3.16   3.99  -0.25  -1.25 
1 1 1    3    1   39 o   8.0523   0.5618   8.6227   14.700   0.48   0.34   0.17   0.22 
1 1 1    3    1   40 o   3.0642   1.0666   2.5479 -88.0000   0.16  -0.34  -0.08  -0.01 
1 1 1    3    1   41 o   12.663   0.3643   12.398 -88.5000  -0.92  -2.01  -0.48   0.76 
1 1 1    3    1   42 o   0.6897   1.2207   2.7743   5.2000  -0.17  -0.24   0.02   0.01 
1 1 1    3    1   43 o   1.9972   1.2774   1.4749 -178.0000   0.04  -0.18  -0.00   0.01 
1 1 1    3    1   44 o   0.7193   1.3160   2.8957   2.0000   0.06   0.19   0.01   0.01 
1 1 1    3    1   45 o   4.4547   2.0282   5.1259   97.300  -0.24   0.71  -0.04   0.03 
1 1 1    3    3    0 o   67.654   0.5032   8.8775  -0.0000   0.58   0.00   0.00   0.00 
1 1 1    3    3    1 o   50.769   1.3600   52.500   27.600   0.53   1.37   0.44  -0.15 
1 1 1    3    3    2 o   42.976   1.7757   53.860   38.800   1.33   2.32   0.26  -1.21 
1 1 1    3    3    3 o   36.997   1.7917   27.987 -165.9000   1.15  -2.53   0.99   0.66 
1 1 1    3    3    4 o  102.865   1.1873   67.980   87.600   0.58  -0.62   0.00   0.00 
1 1 1    3    3    5 o   42.211   2.9731   27.371   47.900   3.67   2.82  -0.43  -0.95 
1 1 1    3    3    6 o  115.675   5.4045  107.622 -91.6000  -7.61  -4.26  -0.31  -1.83 
1 1 1    3    3    7 o   81.502   7.3852   77.878 -171.3000 -26.82  -2.63  -6.13  -0.34 
1 1 1    3    3    8 o   76.354   3.9783   81.190  102.700  -4.20   5.19   0.42   0.94 
1 1 1    3    3    9 o   63.669   3.9358   76.913   53.100   8.90   6.10  -1.23  -2.06 
1 1 1    3    3   10 o   80.569   7.0690   82.624   48.400  11.73  30.17   5.70  -4.37 
1 1 1    3    3   11 o   14.377   1.0346   30.003 -102.4000   1.00  -0.28  -0.11   0.08 
1 1 1    3    3   12 o   97.464   1.1160  103.267 -123.2000  -0.81  -0.27  -0.31   1.10 
1 1 1    3    3   13 o   39.997   1.0215   37.170  177.700  -0.60   0.39  -0.36   0.28 
1 1 1    3    3   14 o   47.931   4.1319   64.395 -179.7000 -15.56   4.52  -3.23   1.72 
1 1 1    3    3   15 o   24.462   1.5649   29.643   72.600   7.49   4.89  -1.23  -4.08 
1 1 1    3    3   16 o   24.691   1.7762   29.123   60.600   9.96   3.69  -2.32  -1.67 
1 1 1    3    3   17 o   27.676   1.3107   18.323 -66.8000   8.24  -1.55  -2.62   1.43 
1 1 1    3    3   18 o   51.238   1.2092   45.869 -135.5000 -11.07   4.57  -3.80   6.78 
1 1 1    3    3   19 o   31.629   3.8485   30.756 -42.0000  61.55 -28.62 -13.98  15.88 
1 1 1    3    3   20 o   16.920   1.3484   29.352   33.000   6.86   3.63  -1.02  -1.60 
1 1 1    3    3   21 o   12.020   2.7077   25.245 -173.2000 -38.69  -3.00 -12.34  -2.07 
1 1 1    3    3   22 o   91.725   0.4117   87.340   82.500   2.04   0.58  -2.20   0.36 
1 1 1    3    3   23 o   21.706   0.6733   13.428 -121.7000  -3.25  -0.96  -1.33  -0.72 
1 1 1    3    3   24 o   54.900   1.4345   59.657 -100.7000  -2.70  -8.40   2.13  -1.94 
1 1 1    3    3   25 o   47.805   1.3862   29.319  123.000 -25.14   0.45  -6.74  -0.12 
1 1 1    3    3   26 o   46.153   0.2560   41.933 -72.4000  -1.49  -0.97  -0.11  -1.21 
1 1 1    3    3   27 o   73.140   0.9908   65.748 -75.0000  -8.29  -5.84  -9.65 -11.21 
1 1 1    3    3   28 o   67.702   2.1721   71.914  101.100  -2.84   7.28   1.59   0.87 
1 1 1    3    3   29 o   9.4919   1.3685   3.4557   43.300  -7.43  -1.60  -1.83  -0.92 
1 1 1    3    3   30 o   20.956   0.2838   17.106   24.800  -1.09   1.63   0.11   1.83 
1 1 1    3    3   31 f   12.025   0.3811   8.4428 -122.0000   0.91  -1.69   0.40   0.91 
1 1 1    3    3   32 o   15.900   0.4145   19.591 -38.4000   3.12  -2.82  -0.82   2.41 
1 1 1    3    3   33 o   15.567   0.6700   12.999 -87.4000   4.22  -1.99  -0.75   0.70 
1 1 1    3    3   34 o   20.918   0.5034   12.510 -170.3000   1.45  -5.99   2.36   0.35 
1 1 1    3    3   35 o   13.891   0.3445   20.452  112.900  -0.79   0.69  -1.00   0.36 
1 1 1    3    3   36 o   12.560   0.3833   10.855 -94.0000  -0.17   0.09   0.05  -0.02 
1 1 1    3    3   37 o   11.996   0.4716   16.564   73.800  -0.57   2.73   0.52   0.91 
1 1 1    3    3   38 o   9.9276   0.4537   9.6607   17.000   0.37   0.17  -0.05   0.02 
1 1 1    3    3   39 o   14.922   0.3365   16.446 -79.2000   0.94  -2.70  -0.79   1.08 
1 1 1    3    3   40 o   7.0268   0.8979   8.4513  113.300   0.21   2.03   0.15  -0.23 
1 1 1    3    3   41 o   0.1720   0.7777   1.9925 -37.0000   0.04  -0.15   0.01  -0.00 
1 1 1    3    3   42 o   1.6743   1.3104   2.9358 -36.6000  -0.16  -0.20  -0.01  -0.01 
1 1 1    3    3   43 o   6.2176   0.7216   7.4796  140.300  -0.44   0.14   0.03  -0.01 
1 1 1    3    3   44 o   4.4341   0.9637   3.7348 -108.6000   0.56  -0.12  -0.02  -0.05 
1 1 1    3    3   45 o   8.5815   0.9107   4.1071   97.300  -0.06   0.47  -0.01  -0.01 
1 1 1    3    5    0 o   74.701   0.7035   72.172 -180.0000  -0.00   0.00   0.00   0.00 
1 1 1    3    5    1 o   85.009   1.3876   85.564   9.3000   0.39   1.05   0.00   0.00 
1 1 1    3    5    2 o   96.204   2.0593   69.783 -141.7000   0.76  -1.75   0.47   0.06 
1 1 1    3    5    3 o   66.368   7.6930   56.407   64.100  24.90   8.34  -4.21  -4.06 
1 1 1    3    5    4 o   72.151   1.1052   72.229 -18.8000  -1.25  -3.17   1.63  -0.41 
1 1 1    3    5    5 o   43.988   3.0653   36.928 -135.6000  -5.63   0.89  -1.80   0.22 
1 1 1    3    5    6 o   73.964   3.8471   63.687 -10.2000   5.00  -3.80  -0.05   1.13 
1 1 1    3    5    7 o   26.286   0.4474   27.742   78.200   0.42  -0.31  -0.42   0.42 
1 1 1    3    5    8 o   84.247   0.5602   75.258   24.200  -0.19  -0.46   0.29   0.24 
1 1 1    3    5    9 o  125.727   5.2370  116.370 -108.1000  -4.23 -11.24   2.56  -1.23 
1 1 1    3    5   10 o   58.435   6.0331   69.267 -173.0000 -41.90  -1.30  -7.84  -0.08 
1 1 1    3    5   11 o   85.744   1.4475   63.828   25.300   0.11  -0.44   0.01  -0.44 
1 1 1    3    5   12 f   34.113   2.8026   28.900   95.900  -9.01   3.56  -2.47   1.95 
1 1 1    3    5   13 o   61.866   1.2524   54.523   2.4000   0.37   0.27   0.80   0.06 
1 1 1    3    5   14 o   22.239   0.3277   19.398 -173.4000  -0.88  -1.06   0.00  -0.25 
1 1 1    3    5   15 o   41.296   2.2302   34.240  159.500  -8.69   2.06  -4.40   1.12 
1 1 1    3    5   16 o   42.028   4.4002   38.591  162.300 -52.53  -7.26 -16.05  -5.83 
1 1 1    3    5   17 o   16.613   3.1746   9.9186  117.500  38.39  11.64 -13.12  -9.50 
1 1 1    3    5   18 f   40.868   1.7263   43.353 -118.4000 -52.57   8.85 -28.84  11.40 
1 1 1    3    5   19 o   69.483   3.8996   71.710 -103.4000 -33.50 -21.92  -5.27 -15.12 
1 1 1    3    5   20 o   80.698   1.5374   87.827   4.2000  12.92  -6.67  -1.59   2.90 
1 1 1    3    5   21 o   54.493   0.5068   51.864  150.800  -1.87   0.70  -0.22   0.26 
1 1 1    3    5   22 o   53.402   0.2726   46.816  120.900  -0.30  -0.57  -2.09  -1.56 
1 1 1    3    5   23 f   36.884   0.2607   33.025   69.300   2.12  -1.00  -1.29   1.02 
1 1 1    3    5   24 o   43.042   2.0647   43.619  167.500 -39.26 -12.91  -8.75  -6.96 
1 1 1    3    5   25 f   30.371   1.7139   41.415   5.8000  22.34 -13.12  -3.67   7.17 
1 1 1    3    5   26 f   61.909   0.3201   50.789 -73.9000   0.34  -0.63  -0.94  -3.25 
1 1 1    3    5   27 o   41.697   0.6400   50.364 -151.0000  -1.50  -4.01   1.14  -1.73 
1 1 1    3    5   28 o   28.301   0.3366   27.627   74.700   1.37   1.16  -0.65  -1.10 
1 1 1    3    5   29 o   20.268   0.2706   13.307 -170.0000  -0.24   0.38   1.52  -0.34 
1 1 1    3    5   30 o   13.209   0.9717   8.0250 -76.8000   5.96  -3.51  -0.82   1.29 
1 1 1    3    5   31 o   17.329   0.8203   9.8519  122.800  -7.64   5.28  -0.67   2.49 
1 1 1    3    5   32 o   23.631   0.5277   17.665 -35.3000   2.41  -3.00   0.57   1.16 
1 1 1    3    5   33 o   36.053   0.4047   31.034 -121.8000  -7.99   0.19  -3.03  -0.79 
1 1 1    3    5   34 o   13.982   0.3209   7.2905  101.300  -0.95  -0.34  -1.04   0.42 
1 1 1    3    5   35 o   17.033   0.5447   19.939   44.300  -0.30   0.55   0.02   0.01 
1 1 1    3    5   36 f   11.752   0.3730   12.239 -94.6000   1.56  -1.53   0.31   0.53 
1 1 1    3    5   37 f   19.220   1.1524   18.213   18.900  13.38  11.20   0.58  -4.31 
1 1 1    3    5   38 o   6.7145   0.6153   7.5180  148.100   0.30   2.46   0.42  -0.44 
1 1 1    3    5   39 o   6.3773   0.5990   5.8587 -162.0000  -0.50   0.79  -0.38  -0.35 
1 1 1    3    5   40 o   13.014   0.3532   10.196   90.000   0.56   1.81   0.28   0.60 
1 1 1    3    5   41 o   3.2891   1.0274   1.3546 -61.6000  -0.18  -0.36  -0.02  -0.02 
1 1 1    3    5   42 f   14.525   0.3677   12.364 -80.1000  -0.47  -2.13   0.01   0.34 
1 1 1    3    5   43 o   7.4327   0.5698   6.1632  152.400  -1.39   0.51   0.11   0.12 
1 1 1    3    5   44 o   8.2145   0.7995   5.5243 -28.8000   1.69  -0.33  -0.12  -0.07 
1 1 1    3    7    0 o   32.134   0.2333   57.500  -0.0000  -0.05   0.00   0.00   0.00 
1 1 1    3    7    1 o  111.655   1.8065  112.745  111.900   2.28  -0.42   0.00   0.00 
1 1 1    3    7    2 o   59.280   1.2351   52.709  107.800  -2.22   1.27  -0.13   0.35 
1 1 1    3    7    4 o   54.692   1.0369   62.375 -131.4000   3.88  -4.08   0.42   1.88 
1 1 1    3    7    5 o   83.235   0.4473   98.729 -48.7000  -1.67  -7.60   2.24  -1.78 
1 1 1    3    7    6 o   26.798   3.0371   26.272 -121.9000  -7.69  -2.36  -1.56  -1.21 
1 1 1    3    7    7 o   43.386   1.4862   32.982   38.800   1.28   5.13   1.01  -0.71 
1 1 1    3    7    8 o   91.059   3.5521   74.422 -43.7000   9.75  -2.27  -3.37   0.78 
1 1 1    3    7    9 o   60.722   3.5454   55.754 -139.6000  -2.77 -10.95   3.37  -1.26 
1 1 1    3    7   10 o   67.141   2.5247   66.228   60.700   2.21   1.15  -0.21  -0.68 
1 1 1    3    7   11 o   86.178   1.7988   74.116 -57.8000  13.54  -9.46  -0.46   3.13 
1 1 1    3    7   12 o   58.217   1.0487   46.312  173.300  -1.18  -0.30  -0.16  -0.41 
1 1 1    3    7   13 o   36.685   3.9857   18.280 -47.6000  51.32   2.84 -19.46  -3.55 
1 1 1    3    7   14 o   8.0387   1.8029   16.245   46.900   9.32   4.14  -1.95  -2.05 
1 1 1    3    7   15 o   57.664   0.6911   45.174   77.200   3.92   1.08  -8.66   5.32 
1 1 1    3    7   16 o   24.655   0.4486   11.360 -65.5000   0.48   0.52   0.47  -1.00 
1 1 1    3    7   17 o   19.063   1.1709   24.110  140.800   1.36   4.42   1.48  -0.89 
1 1 1    3    7   18 o   37.707   0.4283   47.956 -110.8000   0.67   0.26  -1.92   0.07 
1 1 1    3    7   19 o   31.298   3.9451   10.237 -53.3000 -21.80 -41.84   5.30  -7.25 
1 1 1    3    7   20 o   13.869   2.5840   10.871 -85.9000  26.04   0.94  -8.06  -0.70 
1 1 1    3    7   21 o   27.357   0.2032   37.073 -67.9000  -0.53  -0.38  -7.74   0.09 
1 1 1    3    7   22 o   30.051   0.6538   20.343 -60.0000   2.87   1.93  -0.43  -0.84 
1 1 1    3    7   23 o   25.488   1.6330   23.321 -16.5000  29.54   9.35  -7.96  -5.30 
1 1 1    3    7   24 o   46.834   0.2460   41.022   50.200   1.14  -1.05   0.32   1.11 
1 1 1    3    7   25 o   42.691   0.5733   40.390  107.200   2.10   3.26   3.11  -3.66 
1 1 1    3    7   26 o   13.578   1.1802   6.4686  138.100  -2.97  -2.76  -0.01  -0.98 
1 1 1    3    7   27 o   66.866   1.5696   63.235  117.300  -0.08   3.98   0.78   0.30 
1 1 1    3    7   28 f   33.989   0.2740   34.859 -25.7000   0.24  -0.29  -0.77  -0.57 
1 1 1    3    7   29 o   20.585   1.4347   12.222 -71.3000   7.46 -14.63   2.00   3.10 
1 1 1    3    7   30 o   12.318   0.3411   11.663  139.800   0.11   0.02   0.46   0.07 
1 1 1    3    7   31 o   26.721   0.2498   33.255 -101.4000   0.46   0.83  -3.51   1.65 
1 1 1    3    7   32 o   29.028   0.2870   21.595 -101.9000   0.86   0.95  -0.14  -0.33 
1 1 1    3    7   33 f   9.9761   0.9887   15.981 -158.7000  -5.70   6.05   0.61   2.71 
1 1 1    3    7   34 o   0.0000   2.5249  ?   ?    0.39  -0.20  -0.26   0.11 
1 1 1    3    7   35 f   18.912   0.2711   15.668   36.600   2.72  -1.17   1.11   2.59 
1 1 1    3    7   36 o   5.8642   0.6701   1.2896   94.900  -0.73   0.14  -0.07  -0.01 
1 1 1    3    7   37 o   12.113   0.3887   8.8366   0.1000   1.98  -0.22  -0.42  -0.24 
1 1 1    3    7   38 o   7.8728   0.6455   5.4071  154.900  -1.80   1.40  -0.51   0.18 
1 1 1    3    7   39 o   8.2799   0.5206   5.5313  179.300   0.62   0.17   0.16   0.04 
1 1 1    3    7   40 o   2.5675   1.2520   1.9238   9.3000  -0.42  -0.12  -0.03   0.02 
1 1 1    3    7   41 o   5.8310   0.7479   4.2262  175.300  -1.22  -0.47   0.10  -0.13 
1 1 1    3    7   42 o   5.0149   1.3167   5.1198 -81.7000  -0.32  -0.36  -0.01  -0.01 
1 1 1    3    7   43 f   5.4945   0.8442   1.7201  114.400  -0.10  -0.01   0.00  -0.00 
1 1 1    3    7   44 f   9.7773   0.8931   6.0759 -16.7000   0.27  -0.25   0.00  -0.01 
1 1 1    3    9    0 o   52.377   0.3216   74.199  180.000   0.08   0.00   0.00   0.00 
1 1 1    3    9    1 f   32.451   0.9263   32.378 -43.8000   1.07  -0.45  -0.21   0.35 
1 1 1    3    9    2 o   77.385   4.6319   77.047 -80.2000 -25.70 -12.59  -4.31  -6.99 
1 1 1    3    9    3 o   59.184   3.1041   54.284   87.600  10.25  10.76   0.87  -5.13 
1 1 1    3    9    4 o   77.112   0.3629   60.915 -72.9000  -0.74  -1.95  -1.99  -4.95 
1 1 1    3    9    5 o   89.770   2.9457   79.224 -168.1000  -3.35  -3.73   0.56  -1.32 
1 1 1    3    9    6 o   67.706   1.2307   58.848   59.200   5.41   0.88  -1.59  -0.18 
1 1 1    3    9    7 o   56.891   0.9004   61.112 -48.8000   2.34  -3.25   0.36   0.56 
1 1 1    3    9    8 o   29.462   2.1175   48.219   55.700   9.02   7.67  -0.21  -5.43 
1 1 1    3    9    9 o   29.417   2.2598   16.445   95.400  16.55  16.51  -0.59  -7.78 
1 1 1    3    9   10 o   79.147   0.3468   83.849  163.000   1.16   7.32   3.45  -4.16 
1 1 1    3    9   11 o   14.490   2.9781   29.377   18.100  25.40   0.64  -7.34  -0.62 
1 1 1    3    9   12 o   36.973   0.2500   54.638 -95.8000   1.29  -0.67  -3.16  -0.27 
1 1 1    3    9   13 o   35.519   0.6230   39.225 -130.2000  -1.35  -1.76  -0.04  -0.75 
1 1 1    3    9   14 o   34.334   1.2623   48.504 -63.8000  12.22  -0.37  -4.28   0.51 
1 1 1    3    9   15 o   19.130   0.6672   6.0765 -33.4000   1.14  -4.77   2.10   0.92 
1 1 1    3    9   16 o   33.173   0.8511   33.170  139.900  -2.25   0.21  -1.19   0.02 
1 1 1    3    9   17 o   18.510   2.6015   25.269  -2.3000  33.24  -2.31  -7.11   1.10 
1 1 1    3    9   18 o   17.364   0.7045   6.7880 -24.3000   1.88   0.84  -1.54  -2.31 
1 1 1    3    9   19 o   56.756   0.9958   57.573 -168.6000  -7.73  11.15   1.53   3.25 
1 1 1    3    9   20 o   26.607   0.5083   24.850   20.500   0.28   0.03  -0.24  -0.24 
1 1 1    3    9   21 o   39.952   0.2768   44.071 -53.6000   2.19   1.40  -0.22  -0.38 
1 1 1    3    9   22 o   67.039   0.8755   60.727 -117.2000  -1.40   0.41  -3.02  -1.70 
1 1 1    3    9   23 o   34.441   0.9267   31.259   64.500  12.70   3.83  -6.62  -5.23 
1 1 1    3    9   24 o   21.916   2.1393   31.426 -22.6000  13.54  -7.38  -2.24   3.11 
1 1 1    3    9   25 o   33.212   0.5440   30.412  123.300  -1.57   0.31  -2.97  -1.02 
1 1 1    3    9   26 o   22.253   0.2585   17.960   48.500   0.06   0.39  -2.97   0.28 
1 1 1    3    9   27 o   38.521   1.3988   29.564   2.0000  10.41  11.65   1.49  -6.08 
1 1 1    3    9   28 o   20.649   0.2431   13.589 -116.5000  -1.14  -2.24   0.66  -1.62 
1 1 1    3    9   29 o   22.130   0.7963   19.340   53.500   8.01   7.40  -0.51  -2.73 
1 1 1    3    9   30 o   11.596   0.3397   16.583   21.200   0.86  -0.30  -0.29   0.56 
1 1 1    3    9   31 o   16.300   0.2888   26.415 -94.0000   0.28  -1.84   0.61   0.65 
1 1 1    3    9   32 f   6.7048   1.3877   5.0284  -1.8000   8.36  -3.32  -1.70   1.33 
1 1 1    3    9   33 o   9.1937   0.6400   13.143 -173.3000  -0.96   0.37  -0.06   0.03 
1 1 1    3    9   34 o   9.9598   0.6624   15.439  138.600  -4.38   2.04  -1.29   0.78 
1 1 1    3    9   35 o   16.812   0.2934   11.787   75.800  -0.11   0.05   0.00  -0.01 
1 1 1    3    9   36 f   5.9245   0.5974   6.3361  157.900  -0.53  -1.18   0.47  -0.01 
1 1 1    3    9   37 o   10.466   0.4120   8.1101 -60.7000   1.66  -1.16  -0.06  -1.99 
1 1 1    3    9   38 f   5.7869   0.7314   6.5847 -60.9000   0.26  -1.37   0.18  -0.12 
1 1 1    3    9   39 f   6.5505   0.6173   4.9397  143.200  -0.91   0.60   0.01  -0.32 
1 1 1    3    9   40 o   6.6914   0.7232   6.4988 -64.0000   0.21   0.94  -0.01  -0.07 
1 1 1    3    9   41 o   2.6978   1.2995   4.5438   48.200  -0.05   0.48   0.00   0.04 
1 1 1    3    9   42 o   3.8142   1.0049   1.4741  102.400   0.35  -0.21   0.05  -0.02 
1 1 1    3    9   43 o   8.9947   0.7723   4.7043 -120.1000  -0.71   0.41   0.05  -0.02 
1 1 1    3   11    0 o   79.363   0.5052   84.120  180.000  -1.98   0.00   0.00   0.00 
1 1 1    3   11    1 o   48.769   0.4510   52.314   7.0000   0.32   1.02   0.13  -0.57 
1 1 1    3   11    2 f   52.337   1.9663   52.464 -28.1000   0.17 -12.67   4.76  -0.80 
1 1 1    3   11    3 o   57.141   1.0490   54.972 -69.7000   8.06   1.45  -3.82  -3.18 
1 1 1    3   11    4 o   33.731   3.2657   20.753   23.800  13.24  10.87  -0.73  -2.68 
1 1 1    3   11    5 o   72.969   1.5168   67.313   29.800   7.02   1.36  -2.83   0.01 
1 1 1    3   11    6 f   20.180   0.9739   20.031  158.700  -2.57  -7.15   4.28  -4.74 
1 1 1    3   11    7 o   64.929   1.5586   54.704  150.000  -1.46   4.77   0.51   0.59 
1 1 1    3   11    8 o   32.867   0.2749   29.660 -49.2000   0.37  -0.24  -0.13   0.08 
1 1 1    3   11    9 o   48.505   1.1852   46.589  144.000   5.10  13.35   7.59  -8.48 
1 1 1    3   11   10 o   42.466   0.7522   47.090  172.500  -1.17   2.38   1.31   1.12 
1 1 1    3   11   11 o  100.987   1.9249  111.041 -33.8000  18.72  12.70  -1.98  -8.32 
1 1 1    3   11   12 o   33.956   3.1212   34.238   44.600  37.98  10.35  -8.92  -4.93 
1 1 1    3   11   13 o   20.574   0.1598   25.222  100.400  -0.04  -0.07  -0.53   0.21 
1 1 1    3   11   14 o   23.695   2.8278   32.612 -146.8000 -40.57   2.03 -10.88   1.32 
1 1 1    3   11   15 f   81.525   0.9427   65.870  152.800  -1.18   0.48  -0.42   0.14 
1 1 1    3   11   16 o   53.281   0.3158   22.155 -78.0000   2.25  -0.28  -0.70   0.35 
1 1 1    3   11   17 o   41.774   0.6577   46.724 -72.9000   2.95  -1.64  -0.26   0.53 
1 1 1    3   11   18 o   57.165   1.2100   59.037   43.500   0.51   2.97   3.71   0.19 
1 1 1    3   11   19 o   18.637   0.9471   26.985   77.400   9.12   8.00  -0.58  -3.59 
1 1 1    3   11   20 o   34.492   1.2615   34.560 -128.3000  -9.68  -8.20  -0.51  -4.91 
1 1 1    3   11   21 o   45.339   0.2424   41.851 -118.3000  -2.91  -0.55  -1.36  -0.25 
1 1 1    3   11   22 o   61.165   1.3426   59.297 -127.4000 -13.54  -0.61  -4.36   0.39 
1 1 1    3   11   23 o   36.778   0.5735   17.105  107.700  -4.71   0.52  -2.04   0.97 
1 1 1    3   11   24 o   11.477   0.7007   7.8952 -161.0000  -3.56  -2.08  -1.09  -2.48 
1 1 1    3   11   25 o   9.0530   0.3950   10.212   69.200  -2.69   2.09  -1.64   4.01 
1 1 1    3   11   26 o   8.2746   0.4207   9.9568  -5.9000  -0.69  -0.39  -0.13  -0.16 
1 1 1    3   11   27 o   18.978   0.4996   26.952 -54.7000   3.45  -0.85  -1.41   0.50 
1 1 1    3   11   28 o   7.6652   0.7627   12.455   53.600   2.63  -4.14   0.74   1.28 
1 1 1    3   11   29 o   6.2075   0.5536   8.2690   87.000   1.07   0.76  -0.49  -0.74 
1 1 1    3   11   30 o   12.714   0.5432   10.346   44.400   3.44  -0.81  -1.58   0.27 
1 1 1    3   11   31 o   9.5667   0.8367   5.3368 -148.3000  -3.18  -0.45  -0.36  -0.05 
1 1 1    3   11   32 o   0.0000   2.3494  ?   ?   -0.08   0.20  -0.06   0.18 
1 1 1    3   11   33 o   16.651   0.2847   13.194   21.400   4.85   0.39  -1.26   0.32 
1 1 1    3   11   34 o   5.3078   0.8669   4.1016 -176.3000  -1.39   2.68   0.65   0.41 
1 1 1    3   11   35 o   2.8728   0.9448   7.3480 -107.1000   0.15  -0.39  -0.18   0.16 
1 1 1    3   11   36 o   3.2306   0.9376   4.6665   31.900   0.12   0.08   0.01   0.02 
1 1 1    3   11   37 f   1.8345   1.1813   1.9628 -103.8000  -0.01  -0.63   0.06  -0.16 
1 1 1    3   11   38 o   2.1075   1.1779   1.6181  164.700   0.07   0.26  -0.03  -0.02 
1 1 1    3   11   39 o   7.9480   0.5452   7.0676   96.100   0.64   1.77  -0.25  -0.29 
1 1 1    3   11   40 o   3.0061   1.0232   3.6040 -19.8000   0.01  -1.04   0.03  -0.17 
1 1 1    3   11   41 o   7.5751   0.5931   5.7208   49.000   0.15   0.11   0.00   0.01 
1 1 1    3   11   42 o   8.0412   1.0387   2.4575 -155.7000  -0.50   0.17   0.01  -0.02 
1 1 1    3   13    0 o   93.757   0.6903   77.299  180.000  -0.62   0.00   0.00   0.00 
1 1 1    3   13    1 o   38.420   4.0676   41.540 -94.9000 -25.41 -46.45   6.53 -10.78 
1 1 1    3   13    2 o   60.920   0.7999   77.498   99.600  -7.06   1.29  -2.70   0.60 
1 1 1    3   13    3 o   55.499   0.8949   54.365  113.500   2.78   5.23   2.93  -9.45 
1 1 1    3   13    4 o   47.599   0.4875   31.419 -28.5000   2.35   1.76  -0.13  -1.26 
1 1 1    3   13    5 o   72.090   0.7474   58.681 -32.6000  -0.03  -1.88   1.84  -1.40 
1 1 1    3   13    6 o   69.481   0.7789   70.119 -16.3000   5.53   4.05  -0.35  -2.62 
1 1 1    3   13    7 o   68.032   2.0857   65.142   77.300   8.27   8.95  -0.10  -3.42 
1 1 1    3   13    8 o   39.676   0.8522   38.497  156.500  -1.52   2.60   0.24   0.55 
1 1 1    3   13    9 f  116.004   0.8540  113.254  176.300  -0.70  -4.02   1.67  -2.39 
1 1 1    3   13   10 o   37.597   0.2366   28.929 -108.0000  -1.19  -0.39  -1.14  -2.17 
1 1 1    3   13   11 o  130.469   0.6902  118.324 -27.1000  -2.16  -1.54   0.63  -1.51 
1 1 1    3   13   12 o   62.752   1.2454   63.741   68.600  -0.65   4.64   1.70   0.18 
1 1 1    3   13   13 o   19.745   3.3026   16.217   8.3000  35.59   7.13  -7.81  -3.40 
1 1 1    3   13   14 o   31.045   1.0458   34.006 -146.8000  -4.54  -1.10  -1.61  -0.66 
1 1 1    3   13   15 o   84.433   1.4037   83.661  124.200 -14.28   0.56  -5.25  -0.39 
1 1 1    3   13   16 o   32.031   0.2703   33.307 -42.3000   0.13  -1.19   0.52   0.01 
1 1 1    3   13   17 o   13.605   0.1967   16.028 -142.5000   0.51  -0.30  -0.08   0.18 
1 1 1    3   13   18 f   67.321   1.4980   46.695   64.700  -3.24  14.36   3.13   1.90 
1 1 1    3   13   19 o   18.301   1.7823   13.458 -59.1000  -4.24  -5.22   0.26  -0.99 
1 1 1    3   13   20 o   36.573   0.7538   29.930 -138.2000  -1.53  -1.40   0.10  -0.59 
1 1 1    3   13   21 f   24.606   1.0314   23.612 -37.8000   5.08   2.37  -1.15  -1.75 
1 1 1    3   13   22 f   65.251   0.3909   43.701 -153.0000  -0.15  -1.14   0.36   0.20 
1 1 1    3   13   23 o   3.4530   1.5721   12.931  106.200  -3.35   1.04  -0.39   0.26 
1 1 1    3   13   24 o   13.522   0.4529   14.637 -143.4000  -1.49   0.14  -0.39   0.13 
1 1 1    3   13   25 f   25.210   0.2190   18.183 -93.4000   1.24  -1.18  -3.03   2.23 
1 1 1    3   13   26 o   17.012   0.2387   21.651   13.000  -0.18   0.75   1.22  -0.48 
1 1 1    3   13   27 o   25.658   0.2212   21.797 -111.3000  -0.35   0.40  -0.81   0.08 
1 1 1    3   13   28 o   7.8007   0.8904   10.276   24.200   2.09  -7.05   2.28   1.11 
1 1 1    3   13   29 o   16.769   0.6045   20.544  110.900   1.66   1.56  -0.07  -0.24 
1 1 1    3   13   30 o   6.9660   1.0904   7.0356 -17.0000   2.22  -0.64  -0.19   0.08 
1 1 1    3   13   31 o   6.8617   0.6471   7.7256  109.400  -1.82   1.43  -0.27   0.43 
1 1 1    3   13   32 o   5.7439   1.1790   5.0090  137.600  -0.37  -0.60   0.01  -0.02 
1 1 1    3   13   33 o   19.637   0.2707   18.770 -74.4000   6.23  -5.15  -2.90   2.75 
1 1 1    3   13   34 o   10.865   0.3683   9.8887  176.400  -0.74   0.02   0.32  -0.12 
1 1 1    3   13   35 o   3.4172   0.9075   4.9013 -31.8000   0.68  -0.18   0.10   0.20 
1 1 1    3   13   36 o   5.8543   1.1863   1.9863 -20.9000   1.59   1.20  -0.13  -0.11 
1 1 1    3   13   37 o   5.2743   0.6946   2.8692  147.900  -0.58  -0.44   0.12   0.10 
1 1 1    3   13   38 o   3.5616   0.8488   6.6364 -12.0000   0.78  -0.36  -0.11  -0.12 
1 1 1    3   13   39 o   0.0000   2.4031  ?   ?    0.18  -0.05   0.02   0.00 
1 1 1    3   13   40 o   5.8789   0.8747   1.8246   21.700   0.16   0.19   0.01  -0.00 
1 1 1    3   15    0 o   50.588   0.3338   65.679  -0.0000   0.08   0.00   0.00   0.00 
1 1 1    3   15    1 o   87.973   1.5063   81.772  138.700  -1.45   6.36   2.18   0.54 
1 1 1    3   15    2 o  162.975   2.5727  151.188  109.100  -1.47   0.37   0.00   0.00 
1 1 1    3   15    3 f  104.872   0.5436   98.250 -83.0000  -0.56  -0.43  -0.58   0.04 
1 1 1    3   15    4 o  100.466   1.7925   76.346 -86.5000  -6.26 -10.36   1.06  -3.30 
1 1 1    3   15    5 o  117.265   1.9010   92.634   33.200   7.10   2.22  -2.08  -0.71 
1 1 1    3   15    6 o   50.281   1.3410   53.395 -39.0000  -0.89  -3.67   0.55  -0.21 
1 1 1    3   15    7 o   92.474   0.4426   77.315  162.300   0.37   0.57   0.17  -0.09 
1 1 1    3   15    8 o   23.568   0.8572   29.797  112.100   1.64   8.97   6.82  -2.07 
1 1 1    3   15    9 o   36.670   1.1361   38.150 -80.4000  -2.21  -2.12  -0.06  -0.47 
1 1 1    3   15   10 o   13.310   1.8929   24.714  123.500  33.33  49.11  10.88 -28.37 
1 1 1    3   15   11 o   51.816   0.7063   42.445   82.500   2.21  -0.60  -1.01   0.31 
1 1 1    3   15   12 o   16.561   1.1451   7.5604 -46.2000 -11.76 -10.42  -0.69  -4.80 
1 1 1    3   15   13 o   37.052   1.1901   46.508  145.100  -5.76   1.45  -1.31   0.58 
1 1 1    3   15   14 o   42.414   0.4292   41.147   39.400  -0.71   3.82   0.97   0.25 
1 1 1    3   15   15 o   78.737   0.3561   79.682 -45.5000  -0.39   1.05   0.42  -0.07 
1 1 1    3   15   16 o   56.276   0.8392   54.062 -112.6000  -5.06  -2.97  -1.32  -1.41 
1 1 1    3   15   17 o   29.562   0.4456   39.425 -146.4000  -1.87   0.43  -0.54   0.44 
1 1 1    3   15   18 f   25.408   0.2373   16.603   87.200  -0.03   0.46  -0.50   1.98 
1 1 1    3   15   19 o   40.336   0.7569   49.192   96.600  -3.84   3.84  -0.72   2.88 
1 1 1    3   15   20 o   6.8450   0.3883   4.4740  156.900   0.01   0.10   0.12  -0.33 
1 1 1    3   15   21 o   27.507   0.4676   25.745   11.600   2.71   0.31  -0.46  -0.04 
1 1 1    3   15   22 o   38.300   0.3225   30.812  141.600  -1.12  -0.36  -0.04  -0.84 
1 1 1    3   15   23 o   38.684   1.0105   34.989 -113.1000 -13.41  -4.58  -4.93  -2.45 
1 1 1    3   15   24 f   13.266   0.9760   13.737 -38.2000  13.04  -7.82  -2.31   3.77 
1 1 1    3   15   25 o   9.1945   0.5933   15.320   60.600   2.06   2.11  -0.10  -0.74 
1 1 1    3   15   26 o   3.2219   0.8289   8.8310 -33.0000   1.15  -0.65  -0.15   0.40 
1 1 1    3   15   27 o   18.295   0.2275   14.582 -148.2000  -0.05  -0.12  -0.00   0.05 
1 1 1    3   15   28 o   7.6805   0.4562   6.3954 -23.3000   1.95   1.13  -0.14  -0.69 
1 1 1    3   15   29 o   10.465   0.5090   13.171   88.700  -2.82  -0.43  -0.56  -0.41 
1 1 1    3   15   30 f   9.3635   0.3691   4.8693   49.600   0.34   0.26  -0.14   0.01 
1 1 1    3   15   31 o   6.9829   0.4820   2.7281   37.000  -0.01  -0.36   0.00  -0.13 
1 1 1    3   15   32 o   13.517   0.5859   10.993  124.200  -2.71   0.75  -0.17   0.36 
1 1 1    3   15   33 o   8.8303   0.4000   9.4128 -86.0000   0.46  -0.43   0.16  -0.22 
1 1 1    3   15   34 o   3.3234   0.7742   6.0819  145.100  -0.48   0.66  -0.28   0.08 
1 1 1    3   15   35 o   10.875   0.3711   9.1214 -119.4000  -0.75   0.18   0.03  -0.12 
1 1 1    3   15   36 o   5.2869   2.3379   4.8439 -143.0000   0.30  -2.83   0.23   0.18 
1 1 1    3   15   37 o   6.4745   0.6118   2.2689 -15.6000   0.18  -0.96  -0.16   0.05 
1 1 1    3   15   38 o   8.3783   0.4874   8.3092 -11.0000   1.86   1.28   0.37  -0.34 
1 1 1    3   15   39 o   9.5855   1.4424   3.2486   1.4000  -0.29   1.52  -0.06  -0.02 
1 1 1    3   17    0 o   17.661   0.1960   17.355  180.000  -0.14   0.00   0.00   0.00 
1 1 1    3   17    1 o   47.240   0.7582   62.982  169.100  -5.72  14.17   9.36   7.28 
1 1 1    3   17    2 o   20.458   1.6961   33.098 -32.3000  18.93  19.94   0.57  -7.79 
1 1 1    3   17    3 o   43.080   0.6963   39.680   13.200  -2.86   4.63   0.76   2.13 
1 1 1    3   17    4 o   39.309   0.3403   22.457  175.400  -1.38  -1.25   0.18  -1.26 
1 1 1    3   17    5 o   33.102   2.5708   27.093 -143.3000 -26.55 -34.99   2.72  -8.95 
1 1 1    3   17    6 o   62.275   0.7044   37.781 -46.9000   3.47   2.37  -0.28  -2.15 
1 1 1    3   17    7 o   13.372   0.5148   22.239 -163.1000  -5.76  -6.52   0.71  -9.29 
1 1 1    3   17    8 o   37.097   0.9084   30.991  114.600  -7.99  -1.31  -2.09  -0.88 
1 1 1    3   17    9 o   22.702   0.8826   20.061   13.600   0.27   0.29  -0.00  -0.01 
1 1 1    3   17   10 o   41.342   0.2084   47.636 -36.9000  -0.04   0.14  -0.01   0.04 
1 1 1    3   17   11 o   15.102   1.1658   15.562  122.200  -0.22   4.35   0.91   0.14 
1 1 1    3   17   12 o   25.624   0.7326   23.526  134.700  -1.79  -1.87   0.17  -0.84 
1 1 1    3   17   13 o   17.125   0.5200   21.523  149.100  -1.39  -2.45   1.42  -1.67 
1 1 1    3   17   14 o   24.953   1.5807   17.877   3.9000   8.60  -0.01  -1.76  -0.12 
1 1 1    3   17   15 o   54.138   0.2669   55.055 -77.4000   0.64  -0.21  -0.46  -0.36 
1 1 1    3   17   16 o   21.264   0.4777   18.810   83.700   1.41   1.58   0.12  -0.47 
1 1 1    3   17   17 o   16.044   0.2168   16.239  145.600  -0.02   1.09   0.88  -0.21 
1 1 1    3   17   18 o   19.010   0.8422   26.287  138.700  -4.48   7.11   0.76   1.89 
1 1 1    3   17   19 o   29.336   0.9006   26.432   69.600   4.34   9.80   1.76  -1.53 
1 1 1    3   17   20 o   13.735   0.6299   19.395 -120.9000  -4.63  -6.78   1.39  -2.79 
1 1 1    3   17   21 o   22.950   0.3246   12.086 -71.3000   2.85  -0.25  -1.46   0.77 
1 1 1    3   17   22 f   23.104   0.1981   23.050 -142.6000  -0.55  -0.38  -0.35  -0.04 
1 1 1    3   17   23 f   24.349   0.2068   28.617 -76.5000   0.84  -0.52  -0.70  -0.05 
1 1 1    3   17   24 f   27.096   0.2187   20.916 -27.1000   0.93   0.48  -0.52   0.09 
1 1 1    3   17   25 f   14.511   0.2340   19.872   95.600  -0.12   0.25  -0.19  -0.06 
1 1 1    3   17   26 o   14.838   0.4204   17.976 -78.0000   3.27  -1.15  -1.32   0.32 
1 1 1    3   17   27 o   7.1129   0.3922   5.1670 -140.0000  -1.37   0.82   0.92   1.75 
1 1 1    3   17   28 o   26.268   0.5388   24.848   65.400   1.52   2.26   0.47  -0.19 
1 1 1    3   17   29 o   9.5731   0.3466   8.8631   2.9000   2.93  -0.68  -0.77   2.29 
1 1 1    3   17   30 f   6.4585   0.4840   5.8559  111.200  -0.08   0.15  -0.02  -0.03 
1 1 1    3   17   31 o   8.2064   0.8011   8.0055  146.100  -2.22  -0.23  -0.22   0.06 
1 1 1    3   17   32 o   2.6111   0.8611   4.3531  114.300  -0.02   0.23  -0.05  -0.00 
1 1 1    3   17   33 o   11.963   0.4311   11.508 -62.2000   0.36  -2.02   0.23  -0.36 
1 1 1    3   17   34 o   4.9990   0.6437   6.6044 -153.6000  -0.52   0.52   0.08   0.02 
1 1 1    3   17   35 o   6.9713   0.6159   4.3351 -134.4000  -0.68  -1.18   0.11  -0.01 
1 1 1    3   17   36 o   5.1114   0.6294   1.5413   85.100   0.32  -0.06   0.02  -0.04 
1 1 1    3   17   37 o   9.5420   1.2457   5.1269  174.000   0.36   0.47  -0.01   0.01 
1 1 1    3   19    0 o   63.846   0.3884   74.611 -180.0000  -0.18   0.00   0.00   0.00 
1 1 1    3   19    1 f   53.515   0.2548   69.628   11.800   0.29   0.01   0.29  -0.16 
1 1 1    3   19    2 f   43.875   0.9542   41.189 -53.7000  -1.84  -3.78   0.44  -0.86 
1 1 1    3   19    3 o   26.607   1.6774   34.912 -149.4000  -1.76  -9.50   2.60  -0.76 
1 1 1    3   19    4 o   39.542   1.4496   44.794 -73.9000   1.77  -5.12   1.00   1.09 
1 1 1    3   19    5 o   53.923   0.2915   50.748  147.100   0.95  -1.15   0.46   0.49 
1 1 1    3   19    6 o   25.995   0.3498   27.754 -37.2000   0.28  -5.58   2.13  -0.04 
1 1 1    3   19    7 o   23.506   0.9119   25.259  133.300  -4.75   8.64   1.33   1.83 
1 1 1    3   19    8 f   40.389   0.2597   33.844   68.600   3.81   2.77  -1.80  -2.61 
1 1 1    3   19    9 o   44.277   1.0545   49.398 -46.7000  -6.40 -21.22   8.29  -7.18 
1 1 1    3   19   10 o   31.529   0.3808   32.438   42.000   0.83   0.90   0.19  -0.44 
1 1 1    3   19   11 o   39.393   1.1503   35.854 -148.8000 -12.06 -11.69   0.50  -6.21 
1 1 1    3   19   12 o   21.516   0.7457   18.883 -115.9000   2.13  -5.16   0.93   1.09 
1 1 1    3   19   13 f   25.893   0.7477   25.149 -34.5000   2.09   2.45   0.14  -0.44 
1 1 1    3   19   14 o   22.990   0.5802   16.813  124.000   0.76   6.19   2.49  -0.22 
1 1 1    3   19   15 o   29.962   1.2352   20.730   33.800  10.79  11.55  -0.10  -3.39 
1 1 1    3   19   16 o   22.578   0.6155   22.615  109.900   0.50   4.25   0.88  -0.35 
1 1 1    3   19   17 o   18.520   1.0650   19.214  153.200 -14.25   1.04  -5.06   1.50 
1 1 1    3   19   18 o   17.450   0.3532   22.537 -127.8000  -1.31  -1.19  -0.65  -0.91 
1 1 1    3   19   19 o   15.940   0.1826   14.087   52.600  -0.04   1.06   0.61   2.08 
1 1 1    3   19   20 o   7.8401   0.2810   5.9550 -46.6000   0.95   0.61  -0.72  -0.63 
1 1 1    3   19   21 o   25.724   0.2997   21.472 -170.0000   1.14  -0.71   0.10   0.28 
1 1 1    3   19   22 o   8.6424   0.3021   8.9866 -29.4000   0.76   0.48  -0.18  -0.15 
1 1 1    3   19   23 o   14.766   0.2220   16.218 -37.1000  -0.09  -0.04   0.01  -0.01 
1 1 1    3   19   24 o   11.688   0.2505   7.6881 -165.7000   0.05  -0.39  -0.02  -0.25 
1 1 1    3   19   25 o   6.3179   0.4088   5.9634 -97.6000  -0.25  -0.36   0.34   0.11 
1 1 1    3   19   26 o   5.0467   0.5317   2.7741 -77.9000   0.77  -0.43  -0.21   0.09 
1 1 1    3   19   27 o   2.7507   0.8116   2.6940   76.400  -0.00  -0.15   0.01   0.01 
1 1 1    3   19   28 o   13.291   0.2648   15.234   39.600   0.78   0.69   0.52   0.33 
1 1 1    3   19   29 o   8.9725   0.3555   6.0160 -100.2000  -0.27   0.84  -0.05   0.15 
1 1 1    3   19   30 o   5.3341   0.5638   4.5490  163.900  -0.62   0.40   0.24  -0.03 
1 1 1    3   19   31 o   3.5236   1.5992   6.1804   45.600   0.53   0.22  -0.01  -0.03 
1 1 1    3   19   32 o   1.8455   1.1132   0.9271 -43.4000  -0.09   0.36  -0.00   0.04 
1 1 1    3   19   33 o   3.3699   0.9107   5.2482 -82.7000  -0.32  -0.26  -0.03  -0.02 
1 1 1    3   19   34 o   4.2456   0.8922   1.4278  102.100  -0.13  -0.05   0.01   0.00 
1 1 1    3   21    0 o   1.8439   0.4471   15.362  -0.0000   0.04   0.00   0.00   0.00 
1 1 1    3   21    1 o   11.288   0.1738   7.3028   24.600   1.12   1.37   0.03  -1.15 
1 1 1    3   21    2 o   8.6395   0.1659   12.955 -159.4000  -1.08   0.71   0.92   8.40 
1 1 1    3   21    3 o   20.313   0.1650   13.766 -176.1000  -1.37   1.18   0.40   1.67 
1 1 1    3   21    4 o   25.043   0.3784   31.434 -21.6000   2.15 -10.25   4.51   1.28 
1 1 1    3   21    5 o   8.2711   0.1912   13.410 -178.2000   1.43  -0.98  -0.23   0.97 
1 1 1    3   21    6 o   27.740   1.5477   23.161 -134.0000  -8.91 -22.40   5.43  -4.34 
1 1 1    3   21    7 f   14.260   0.7141   13.314  106.300  -9.31   4.58  -1.68   2.49 
1 1 1    3   21    8 f   14.712   0.9642   15.783   37.700  -0.19   9.69   2.16   0.21 
1 1 1    3   21    9 o   40.137   0.4177   36.120 -44.6000   1.37  -8.70   3.35   0.20 
1 1 1    3   21   10 o   19.637   0.7895   13.921   59.100  -0.67   6.02   0.86   0.07 
1 1 1    3   21   11 o   9.6561   0.2209   11.466 -100.0000   1.31   1.31  -0.21  -0.83 
1 1 1    3   21   12 o   10.850   0.5874   6.8164  156.700  -4.12  -8.27   1.43  -2.29 
1 1 1    3   21   13 o   6.3862   0.2807   15.446   92.400  -0.33   0.10  -0.08   0.03 
1 1 1    3   21   14 o   17.422   0.8920   12.384 -171.1000  -5.69  -3.45  -0.57  -1.81 
1 1 1    3   21   15 f   5.4021   0.5529   1.7419  171.000   0.85   3.71   0.95  -0.57 
1 1 1    3   21   16 o   13.915   0.5519   12.419   12.300   6.60   2.20  -1.25  -1.38 
1 1 1    3   21   17 o   13.940   0.6284   17.654 -113.8000  -6.23  -2.13  -2.47  -1.06 
1 1 1    3   21   18 f   4.8307   0.9397   5.2929 -63.2000   3.17   2.67  -0.16  -0.59 
1 1 1    3   21   19 o   12.122   0.1958   13.785   78.600  -0.06   2.41   1.27   0.96 
1 1 1    3   21   20 o   10.174   0.2315   9.1557 -134.9000  -0.16  -0.36  -0.48   0.02 
1 1 1    3   21   21 o   4.2202   0.4756   1.2233   41.200   0.26   0.32  -0.01  -0.06 
1 1 1    3   21   22 o   7.2941   0.2956   9.9610   59.100  -0.20   0.29  -0.37  -0.03 
1 1 1    3   21   23 o   7.4980   0.3262   4.7792 -24.5000   0.27  -0.09  -0.03  -0.01 
1 1 1    3   21   24 o   2.5794   1.2199   1.0400   3.3000  -0.07   0.47   0.03   0.02 
1 1 1    3   21   25 o   8.0030   0.3260   7.9479 -97.2000  -0.56   0.55  -0.32  -0.36 
1 1 1    3   21   26 o   8.4486   0.4141   5.1406   55.900   1.85   0.70  -0.06  -0.29 
1 1 1    3   21   27 f   0.0000   2.0186  ?   ?   -0.05  -0.14  -0.01   0.05 
1 1 1    3   21   28 o   8.4808   0.3548   7.0608 -163.7000  -0.96  -0.06   0.14   0.27 
1 1 1    3   21   29 o   4.9694   0.5662   2.8107  101.600   0.36   0.14   0.00  -0.02 
1 1 1    3   21   30 o   3.7910   1.6990   2.5160   35.000   0.93  -0.18  -0.05   0.04 
1 1 1    3   21   31 f   7.1854   0.6186   0.8421  180.000   0.40  -0.18   0.05   0.00 
1 1 1    3   23    0 o   4.0620   0.1768   2.4765 -180.0000   0.03   0.00   0.00   0.00 
1 1 1    3   23    1 o   6.5600   1.2005   9.5952  119.100   5.74  16.61   3.71  -3.14 
1 1 1    3   23    2 o   20.577   0.4795   24.781   69.600   2.36   0.39  -0.41  -0.30 
1 1 1    3   23    3 o   21.688   0.1622   19.252 -32.4000   0.70  -0.93   2.52  -2.49 
1 1 1    3   23    4 o   10.673   0.1658   13.531 -76.0000  -0.12  -0.05   0.08  -0.09 
1 1 1    3   23    5 o   20.080   0.8629   24.182 -159.8000  -2.98 -11.79   5.11  -1.28 
1 1 1    3   23    6 o   10.241   0.1755   13.158  158.100   0.27   0.70   0.09  -0.25 
1 1 1    3   23    7 o   10.945   0.7243   17.426  -8.9000   7.82   7.26   0.46  -5.29 
1 1 1    3   23    8 o   13.461   0.2826   15.798 -69.5000  -1.21  -0.41  -0.21  -0.72 
1 1 1    3   23    9 o   12.949   0.3620   14.015  101.600  -2.69  -0.27  -1.33  -0.97 
1 1 1    3   23   10 o   10.253   0.3611   12.878 -31.7000   2.82   1.19  -0.75  -1.56 
1 1 1    3   23   11 o   6.1395   0.2782   4.9142   22.100   0.05   0.41   0.33   0.23 
1 1 1    3   23   12 o   11.694   0.6489   15.422  105.400   0.17   0.91   0.07  -0.01 
1 1 1    3   23   13 o   5.8823   1.0074   3.6527 -113.7000   0.58  -6.31   1.10   0.33 
1 1 1    3   23   14 o   11.995   0.4203   9.6634  131.200  -0.72   0.42  -0.22   0.11 
1 1 1    3   23   15 o   8.2826   0.1667   6.9932  175.400   1.23  -1.40   0.59   0.95 
1 1 1    3   23   16 f   7.8701   0.1898   3.6323 -17.2000   0.08   0.25  -0.42   0.07 
1 1 1    3   23   17 o   8.3795   0.2392   11.374 -160.1000   0.58  -2.42   0.66   0.92 
1 1 1    3   23   18 o   5.0293   0.3224   2.7143 -132.8000  -1.66   1.22   0.17   1.07 
1 1 1    3   23   19 o   1.0110   0.8087   4.1395 -16.5000  -0.08  -0.58   0.21  -0.25 
1 1 1    3   23   20 o   10.694   0.2106   11.488 -95.2000   0.22   0.67   0.07  -0.00 
1 1 1    3   23   21 f   8.3839   0.2482   9.3101 -16.9000  -0.06   0.33  -0.02  -0.09 
1 1 1    3   23   22 o   2.9301   0.7206   3.4454   23.700  -0.43   0.58  -0.01   0.06 
1 1 1    3   23   23 o   7.5789   0.4104   5.1902 -15.7000  -0.76  -0.44   0.00  -0.06 
1 1 1    3   23   24 o   7.2593   0.3292   8.9095   7.1000   0.16  -0.17   0.02  -0.02 
1 1 1    3   23   25 o   0.5998   0.8858   4.2977   25.500   0.07   0.19  -0.06  -0.02 
1 1 1    3   23   26 o   1.9385   0.9503   2.5555  161.300   0.17  -0.03  -0.00   0.00 
1 1 1    3   23   27 o   7.9391   0.6235   7.9855  175.300  -2.31   0.75  -0.12   0.25 
1 1 1    3   23   28 f   6.3036   0.7453   2.7023  107.400  -0.32   0.10   0.01   0.01 
1 1 1    3   25    0 o   15.991   0.2766   7.7379  180.000  -0.18   0.00   0.00   0.00 
1 1 1    3   25    1 f   4.6115   0.2000   2.0740  169.500  -0.67   0.68  -1.10   1.57 
1 1 1    3   25    2 o   16.956   0.6851   11.392 -54.4000  -1.10  -7.83   2.08  -1.30 
1 1 1    3   25    3 o   11.468   0.2057   8.4426 -116.8000  -2.55   0.36  -1.82   2.95 
1 1 1    3   25    4 f   3.9698   1.2945   2.6884 -104.4000   2.99   8.21   1.20  -1.11 
1 1 1    3   25    5 o   13.209   0.3085   10.888   10.800  -0.49   3.22   0.75   0.56 
1 1 1    3   25    6 o   3.8552   0.5935   6.7790  -6.6000  -0.05  -3.02   0.64  -0.11 
1 1 1    3   25    7 o   6.0240   0.8701   3.6659 -20.5000   3.32  -4.14   0.06   0.59 
1 1 1    3   25    8 o   14.233   0.5360   11.745  134.300  -0.77  11.91   4.54  -0.78 
1 1 1    3   25    9 o   7.7811   0.2656   8.6407   86.500  -0.41   1.01   0.03   0.60 
1 1 1    3   25   10 o   7.5698   0.3800   9.9709 -19.1000  -2.33  -7.32   2.24  -2.67 
1 1 1    3   25   11 o   8.4179   0.4211   7.5845  128.500  -1.22  -0.44  -0.11  -0.34 
1 1 1    3   25   12 o   3.4722   0.4717   3.7944 -127.9000  -0.16  -0.03   0.10  -0.04 
1 1 1    3   25   13 o   5.7236   0.3338   6.0362 -142.4000  -0.90  -0.41  -0.55   0.00 
1 1 1    3   25   14 o   6.7817   0.4879   4.9742  104.700  -0.43   2.20   0.40   0.62 
1 1 1    3   25   15 o   2.3042   1.0332   2.2911 -176.2000  -4.06   0.02  -0.80  -0.07 
1 1 1    3   25   16 o   4.1353   0.2423   5.8418 -169.8000  -0.48  -0.34   1.00  -0.11 
1 1 1    3   25   17 o   3.2924   0.3462   5.7581 -108.1000   0.57  -0.40  -0.72  -0.02 
1 1 1    3   25   18 o   2.3948   0.4733   3.9161  138.300   0.00   0.04   0.00  -0.00 
1 1 1    3   25   19 o   0.0000   1.5438  ?   ?    0.04   0.12  -0.03   0.07 
1 1 1    3   25   20 o   7.2994   0.3614   2.1445 -66.1000   1.30   0.13  -0.10  -0.11 
1 1 1    3   25   21 o   2.8420   0.5235   2.3290  -1.7000  -0.23   0.01  -0.02   0.02 
1 1 1    3   25   22 o   4.6080   0.3970   5.1049 -75.9000  -0.10   0.08  -0.00   0.00 
1 1 1    3   25   23 o   4.7305   0.5920   2.3962 -81.7000  -0.06  -0.17   0.01   0.01 
1 1 1    3   27    0 o   8.6081   0.3513   10.704  -0.0000   0.70   0.00   0.00   0.00 
1 1 1    3   27    1 o   7.6230   0.4987   7.5984 -28.0000   2.94  -3.04   0.39   1.09 
1 1 1    3   27    2 o   5.6499   0.3370   5.5682 -125.9000  -2.62  -5.17   1.17  -1.02 
1 1 1    3   27    3 o   4.4681   0.2610   6.5854 -157.2000  -0.85   0.32   0.03   0.64 
1 1 1    3   27    4 o   1.8325   0.5324   5.1987 -74.8000   0.18   0.10   0.24   0.11 
1 1 1    3   27    5 o   7.1209   0.2428   6.6459   0.7000   0.68  -0.29   0.83   0.18 
1 1 1    3   27    6 o   6.0784   0.4261   4.3259  166.400  -0.51   2.54   0.86  -0.08 
1 1 1    3   27    7 o   7.3597   0.6817   8.8359   77.500  -3.26   4.32   0.52   0.84 
1 1 1    3   27    8 o   6.1990   0.2964   5.7281   42.000   1.40   0.09  -0.15  -0.11 
1 1 1    3   27    9 o   1.7709   0.6038   3.4864  151.400  -0.24   0.52  -0.05   0.27 
1 1 1    3   27   10 o   5.6946   0.2839   5.6778   49.800   0.21  -0.32   0.04   0.01 
1 1 1    3   27   11 o   3.7853   0.9620   6.5912 -112.4000   0.02  -2.48   0.24   0.06 
1 1 1    3   27   12 o   4.6458   0.6089   4.8172 -104.2000  -0.12  -0.89   0.04  -0.03 
1 1 1    3   27   13 f   6.3184   0.3378   8.3815   40.300   1.07   0.19   0.00  -0.39 
1 1 1    3   27   14 o   2.7023   0.6095   3.4842  104.600   0.01   0.12  -0.01  -0.03 
1 1 1    3   27   15 o   4.3352   0.4466   4.2817  160.500   0.04   0.33   0.00  -0.09 
1 1 1    3   27   16 o   5.8136   0.4039   3.6111  115.000   0.04   0.11   0.01   0.01 
1 1 1    3   27   17 o   10.565   0.2586   10.234 -91.3000   0.87  -1.05   0.17   0.11 
1 1 1    3   29    0 o   4.9598   0.5422   6.1117  -0.0000   0.10   0.00   0.00   0.00 
1 1 1    3   29    1 o   8.4647   0.6351   9.5431  148.200   0.55   1.62   0.09  -0.27 
1 1 1    3   29    2 o   4.0669   0.6231   1.0260 -125.3000  -2.02  -0.56  -0.16  -0.15 
1 1 1    3   29    3 o   8.5954   0.7346   10.738 -73.3000  -3.08  -3.76  -0.21  -1.12 
1 1 1    3   29    4 o   5.2255   0.3002   4.7999   92.900   0.09  -0.05   0.01   0.00 
1 1 1    3   29    5 o   5.2414   0.3869   5.2369  164.700  -0.24   0.43  -0.09  -0.39 
1 1 1    3   29    6 o   7.1946   0.8859   9.3006 -128.7000  -0.29  -0.07   0.01   0.02 
1 1 1    4    0    1 o   7.7846   0.1758   22.211 -90.0000   0.00   0.00   0.00   0.00 
1 1 1    4    0    2 f   52.285   0.3184   6.3435  -0.0000   0.01   0.00   0.00   0.00 
1 1 1    4    0    3 o   4.7749   0.1717   23.592 -90.0000  -0.00  -0.00   0.00   0.00 
1 1 1    4    0    4 o   23.622   0.1786   24.765  -0.0000  -0.14   0.00   0.00   0.00 
1 1 1    4    0    5 o   44.280   0.2805   7.0177   90.000   0.00   0.07   0.00   0.00 
1 1 1    4    0    6 o   21.534   0.1819   11.026  180.000   0.18   0.00   0.00   0.00 
1 1 1    4    0    7 o   45.959   0.2951   18.815   90.000  -0.00  -0.31   0.00   0.00 
1 1 1    4    0    8 f   97.715   0.5637   60.595  -0.0000   0.75   0.00   0.00   0.00 
1 1 1    4    0    9 o  114.762   0.7127   94.104 -90.0000   0.00   0.72   0.00   0.00 
1 1 1    4    0   10 o  129.201   0.9279  142.600  180.000  -1.13   0.00   0.00   0.00 
1 1 1    4    0   11 o   62.587   0.3946   72.360   90.000  -0.00  -0.04   0.00   0.00 
1 1 1    4    0   12 o   19.601   0.2120   5.1364 -180.0000  -0.12   0.00   0.00   0.00 
1 1 1    4    0   13 o   15.726   0.1947   14.500 -90.0000  -0.00  -0.01   0.00   0.00 
1 1 1    4    0   14 f   14.761   0.1939   19.619  180.000   0.05   0.00   0.00   0.00 
1 1 1    4    0   15 o   14.167   0.2052   6.5537 -90.0000  -0.00  -0.07   0.00   0.00 
1 1 1    4    0   16 o   8.6660   0.3009   28.310  -0.0000  -0.01   0.00   0.00   0.00 
1 1 1    4    0   17 o   36.767   0.3275   50.803 -90.0000   0.00   0.31   0.00   0.00 
1 1 1    4    0   18 o   62.774   0.4044   66.095   0.0000   1.36   0.00   0.00   0.00 
1 1 1    4    0   19 o   35.345   0.2918   27.756 -90.0000  -0.00  -0.16   0.00   0.00 
1 1 1    4    0   20 o   57.334   0.4096   49.435  180.000  -0.23   0.00   0.00   0.00 
1 1 1    4    0   21 o   54.370   0.3717   62.651   90.000   0.00   0.06   0.00   0.00 
1 1 1    4    0   22 o   39.966   0.3387   58.977   0.0000  -0.19   0.00   0.00   0.00 
1 1 1    4    0   23 o   39.185   0.3265   25.256   90.000   0.00   0.03   0.00   0.00 
1 1 1    4    0   24 o   21.726   0.3041   31.266 -180.0000  -0.05   0.00   0.00   0.00 
1 1 1    4    0   25 o   20.974   0.3054   16.890   90.000   0.00   0.09   0.00   0.00 
1 1 1    4    0   26 o   40.564   0.3216   28.740  180.000   0.15   0.00   0.00   0.00 
1 1 1    4    0   27 o   13.088   0.5495   14.536 -90.0000  -0.00  -0.12   0.00   0.00 
1 1 1    4    0   28 o   64.694   0.4772   66.316   0.0000   0.44   0.00   0.00   0.00 
1 1 1    4    0   29 o   6.2048   0.9357   11.328 -90.0000   0.00   0.03   0.00   0.00 
1 1 1    4    0   30 o   6.5651   0.7231   14.490  180.000  -0.07   0.00   0.00   0.00 
1 1 1    4    0   31 o   12.826   0.4843   8.2224   90.000  -0.00  -0.04   0.00   0.00 
1 1 1    4    0   32 o   15.482   0.4364   7.6176   0.0000   0.24   0.00   0.00   0.00 
1 1 1    4    0   33 o   2.3022   1.3433   6.6944   90.000   0.00   0.03   0.00   0.00 
1 1 1    4    0   34 f   33.850   0.3566   28.817   0.0000  -0.18   0.00   0.00   0.00 
1 1 1    4    0   35 f   7.4229   0.7985   1.9340 -90.0000  -0.00  -0.04   0.00   0.00 
1 1 1    4    0   36 f   11.323   0.4824   13.068 -180.0000  -0.78   0.00   0.00   0.00 
1 1 1    4    0   37 f   12.518   0.4768   11.388   90.000   0.00   0.09   0.00   0.00 
1 1 1    4    0   38 o   0.0000   3.5214   0.2179 -180.0000   0.13   0.00   0.00   0.00 
1 1 1    4    0   39 o   2.1909   1.5226   1.6515 -90.0000  -0.00  -0.04   0.00   0.00 
1 1 1    4    0   40 f   6.5192   0.9368   3.3427   0.0000   0.42   0.00   0.00   0.00 
1 1 1    4    0   41 o   5.2631   1.0115   5.8193   90.000  -0.00  -0.27   0.00   0.00 
1 1 1    4    0   42 o   2.0000   1.5750   2.4276  180.000   0.06   0.00   0.00   0.00 
1 1 1    4    0   43 f   4.5056   1.1728   1.5237   90.000   0.00   0.44   0.00   0.00 
1 1 1    4    0   44 o   6.2849   0.9149   7.9291  180.000  -0.21   0.00   0.00   0.00 
1 1 1    4    0   45 o   10.383   1.3078   1.8859 -90.0000  -0.00  -0.40   0.00   0.00 
1 1 1    4    2    1 f   13.523   0.3630   16.391 -164.4000   0.05   0.35   0.41  -0.48 
1 1 1    4    2    2 o   23.888   3.1376   48.403  134.100  -0.56   5.75   1.53   0.46 
1 1 1    4    2    3 f   53.261   0.2864   40.004 -149.5000  -0.17  -0.03   0.03  -0.06 
1 1 1    4    2    4 o   44.480   1.6018   63.152 -29.9000   1.20   0.55  -0.27  -0.15 
1 1 1    4    2    5 o   71.853   2.8456   49.606  161.400  -5.50  -2.24  -1.99  -0.95 
1 1 1    4    2    6 o   69.634   1.9624   71.866   80.300   3.78  -0.71  -1.43  -0.04 
1 1 1    4    2    7 o   63.851   0.2784   69.165 -61.4000  -0.12   1.24  -1.64  -3.23 
1 1 1    4    2    8 o   75.242   1.6395   84.877 -151.9000   4.57  -4.34   1.82   4.02 
1 1 1    4    2    9 o   77.665   5.6208   80.288   62.900  17.68  20.34   1.38  -5.83 
1 1 1    4    2   10 o   31.007   4.1610   32.221 -29.4000  10.54 -16.91   1.91   4.37 
1 1 1    4    2   11 o  101.439   1.1418  106.319 -74.7000   1.87   0.22  -0.34   0.07 
1 1 1    4    2   12 o   53.750   1.1408   38.831 -169.9000  -1.60  -1.17   0.07  -1.02 
1 1 1    4    2   13 o   17.727   0.2871   20.388   69.000   0.39  -0.14  -0.18   0.30 
1 1 1    4    2   14 o   44.259   2.3780   54.827   74.600  -5.02  16.55   5.55   2.70 
1 1 1    4    2   15 o   33.795   4.2370   25.476  139.100 -11.16  46.97  11.33   4.97 
1 1 1    4    2   16 o   46.187   3.2079   43.238 -26.5000   8.53 -28.05   9.06   4.68 
1 1 1    4    2   17 o   32.266   0.4707   39.910 -155.5000   0.39  -0.72   1.13   0.01 
1 1 1    4    2   18 o   53.645   1.0398   46.180 -38.5000   0.24  -8.01   8.34  -3.76 
1 1 1    4    2   19 o   32.776   2.6718   31.395 -59.0000  -7.99 -27.45   6.21  -4.24 
1 1 1    4    2   20 o   41.866   1.9291   41.133 -156.9000  -1.74 -35.26  18.78  -0.81 
1 1 1    4    2   21 o   59.709   1.2437   54.826   55.000   6.30   6.17  -0.44  -2.89 
1 1 1    4    2   22 o   18.316   0.5335   15.167   0.5000   0.11  -1.67   0.54   0.03 
1 1 1    4    2   23 o   56.562   0.2966   42.042 -174.6000  -0.44   0.05  -0.04   0.03 
1 1 1    4    2   24 o   45.547   0.2402   44.221   72.100   0.08   0.84   0.55  -0.46 
1 1 1    4    2   25 o   53.218   0.7045   45.215   22.000   3.96  -0.59  -0.64   0.11 
1 1 1    4    2   26 o   15.036   1.1473   29.066  156.200  -6.61   2.08  -0.98   0.73 
1 1 1    4    2   27 o   36.232   0.6008   38.648   98.700   2.47   1.37  -1.38  -1.12 
1 1 1    4    2   28 o   55.052   1.7248   51.213 -48.5000   8.54  -6.84  -0.12   2.98 
1 1 1    4    2   29 o   21.450   1.1315   38.456 -126.0000  -8.20  -0.20  -3.06   0.14 
1 1 1    4    2   30 o   22.271   0.8553   28.438 -137.9000  -9.02  -0.23  -3.12   0.14 
1 1 1    4    2   31 o   12.880   0.3468   11.050  147.200  -1.99   1.10  -0.97   1.05 
1 1 1    4    2   32 o   14.348   0.5561   10.380 -177.9000   3.42  -3.19   0.06   1.09 
1 1 1    4    2   33 o   17.290   1.0303   15.782  126.900  -0.36   4.09   0.42   0.12 
1 1 1    4    2   34 o   34.686   0.2771   33.605   17.900  -2.06  -0.72   3.56   1.64 
1 1 1    4    2   35 o   8.7717   0.4686   16.041 -19.9000  -0.07   0.19   0.05  -0.13 
1 1 1    4    2   36 o   4.3149   0.7038   9.6866   84.700   0.78  -0.13  -0.08   0.07 
1 1 1    4    2   37 o   15.715   0.3130   12.875   2.7000  -0.24  -0.20  -0.06   0.04 
1 1 1    4    2   38 o   12.926   0.3500   12.521 -149.0000  -0.21  -0.28  -0.01  -0.02 
1 1 1    4    2   39 f   12.346   0.4695   9.9974  138.900  -2.21   0.09  -0.19   0.22 
1 1 1    4    2   40 o   4.3496   0.8518   2.7824 -18.5000  -0.30  -0.45  -0.02  -0.04 
1 1 1    4    2   41 o   4.0544   0.8439   4.8068 -177.3000  -0.87   0.14  -0.06  -0.10 
1 1 1    4    2   42 o   1.4392   1.2719   2.4096 -84.7000   0.73  -0.12   0.08   0.14 
1 1 1    4    2   43 o   4.7812   0.7652   4.5592 -18.4000   0.68  -0.82   0.11  -0.15 
1 1 1    4    2   44 o   4.5339   0.8584   2.9628  128.600  -0.84   0.11   0.01   0.10 
1 1 1    4    4    0 o   59.582   0.3579   80.862  180.000  -0.15   0.00   0.00   0.00 
1 1 1    4    4    1 f   49.528   1.4072   42.269 -169.6000   0.08  -1.53   0.68  -0.29 
1 1 1    4    4    2 o   61.714   0.4053   52.073 -93.3000  -0.41   0.09  -0.12  -0.14 
1 1 1    4    4    3 o   52.467   0.3135   71.778 -65.1000  -0.16   0.33  -0.41  -0.41 
1 1 1    4    4    4 o   44.623   0.2269   34.868   73.500   0.37  -0.06  -0.16  -0.37 
1 1 1    4    4    5 o   78.489   5.1391   75.755   90.500  -7.58  10.49   1.36   2.44 
1 1 1    4    4    6 o   43.915   2.3678   39.317 -56.6000   5.03   0.77  -1.62  -0.16 
1 1 1    4    4    7 o   53.456   1.2707   62.065 -144.0000  -1.27   0.17  -0.25   0.00 
1 1 1    4    4    8 f   28.785   5.6470   45.676   71.700  31.27  24.32  -2.28 -10.32 
1 1 1    4    4    9 o   67.131   0.6983   59.302   5.6000   1.92   2.66   9.24  -3.60 
1 1 1    4    4   10 f  103.902   2.0552  107.745 -172.2000  -5.32  -7.10   4.48  -5.22 
1 1 1    4    4   11 o   81.344   1.8177   67.721  142.700  -2.22   0.52  -1.24  -0.11 
1 1 1    4    4   12 f   48.523   0.7516   56.620   10.200   1.29  -1.55   0.25   0.53 
1 1 1    4    4   13 o   26.005   2.6725   21.356 -163.9000   5.97 -19.41   5.10   4.00 
1 1 1    4    4   14 o   51.747   0.8802   61.868 -39.8000   0.44  -1.90   0.55   1.12 
1 1 1    4    4   15 o   57.185   1.2851   55.558 -43.1000  -0.07  -1.21   0.15   0.05 
1 1 1    4    4   16 o   4.8111   0.3216   10.812  157.600   0.03  -0.12   0.62  -0.18 
1 1 1    4    4   17 o   15.117   0.9394   17.595   82.000   0.48   4.56   1.51  -0.47 
1 1 1    4    4   18 o   13.206   1.2770   14.400 -134.1000   4.08  -8.05   1.66   2.16 
1 1 1    4    4   19 f   14.591   0.1870   8.4148   39.600   0.36   1.46   6.27  -1.44 
1 1 1    4    4   20 f   40.135   1.0702   24.998   63.500  -2.42   4.20   0.59   0.83 
1 1 1    4    4   21 o   18.042   0.2901   20.861   25.300   0.43   1.47   2.75  -1.05 
1 1 1    4    4   22 o   52.443   0.2583   54.544 -80.0000  -0.17   0.05   0.01   0.11 
1 1 1    4    4   23 o   16.017   1.4406   9.9048   78.700   5.87   7.99   0.80  -2.83 
1 1 1    4    4   24 o   19.163   1.0147   18.756   17.100   3.95  -6.55   0.77   1.59 
1 1 1    4    4   25 o   52.698   0.6555   46.347 -114.2000   3.57  -7.55   1.67   2.67 
1 1 1    4    4   26 o   67.463   0.3192   59.713  101.000  -2.55   1.35  -6.49   1.26 
1 1 1    4    4   27 o   26.662   0.5337   37.277   30.900   0.56   0.24  -0.07  -0.04 
1 1 1    4    4   28 o   32.679   0.4627   31.580 -77.4000  -2.22  -2.04  -1.88  -3.27 
1 1 1    4    4   29 o   30.791   0.4310   25.288  115.900   3.62   3.32   0.35  -2.60 
1 1 1    4    4   30 o   35.412   0.3057   18.531 -174.6000  -2.85  -0.82  -0.94  -1.17 
1 1 1    4    4   31 o   6.8399   0.5057   11.853 -99.3000  -0.50  -0.20  -0.17  -0.84 
1 1 1    4    4   32 o   21.768   0.3609   11.650 -165.1000  -2.75  -1.49  -0.41  -0.42 
1 1 1    4    4   33 o   28.503   0.3994   30.476   84.900   0.95   0.63   0.28  -0.36 
1 1 1    4    4   34 o   13.981   0.3102   11.404  -3.7000  -0.21   0.06   0.08  -0.16 
1 1 1    4    4   35 o   9.7817   0.5745   15.531 -94.4000   1.08  -5.39   1.98   0.15 
1 1 1    4    4   36 o   13.025   0.5051   17.183  104.000   0.05   3.06   0.51  -0.24 
1 1 1    4    4   37 o   10.748   1.1004   12.307 -120.3000  -3.24 -12.75   3.57  -0.77 
1 1 1    4    4   38 o   5.4929   0.7159   4.4997   67.700   0.45   0.97   0.17  -0.03 
1 1 1    4    4   39 o   3.7090   0.9278   7.6040   82.200  -0.35  -0.07  -0.02   0.03 
1 1 1    4    4   40 o   12.901   0.3738   10.437 -64.7000   0.51   0.80  -0.05  -0.06 
1 1 1    4    4   41 o   5.4239   0.7411   5.0757 -138.5000   0.49  -0.01   0.05   0.01 
1 1 1    4    4   42 o   7.8780   0.5351   5.3131  164.300  -0.16  -1.86  -0.08  -0.30 
1 1 1    4    4   43 f   8.6392   0.5422   6.8097   3.6000   1.01  -0.25   0.11   0.01 
1 1 1    4    4   44 o   2.0706   1.4835   1.3456  150.300  -0.11   0.48   0.01  -0.05 
1 1 1    4    6    0 o   18.665   0.1515   7.7021  180.000  -0.02   0.00   0.00   0.00 
1 1 1    4    6    1 o   35.979   5.6334   36.396  148.300  -0.27  47.46  13.65  -0.35 
1 1 1    4    6    2 o   58.368   0.9338   65.282 -129.6000  -1.26   0.37  -1.28  -0.11 
1 1 1    4    6    3 o   20.840   1.7638   33.741  119.900   0.35   3.49   0.92  -0.12 
1 1 1    4    6    4 o   41.774   0.4465   40.401   4.3000   0.22  -0.33   0.05   0.05 
1 1 1    4    6    5 o   89.666   2.4154   91.854 -140.5000  -1.49  -2.76   1.17  -0.71 
1 1 1    4    6    6 o   66.837   2.2222   54.103 -23.7000   1.71  -0.16  -1.42  -0.72 
1 1 1    4    6    7 o   47.217   1.9699   37.512 -61.2000   1.91  -0.51  -0.68   0.18 
1 1 1    4    6    8 o   80.749   1.2276   91.561  101.200   0.81   0.60  -0.85  -0.19 
1 1 1    4    6    9 o  117.139   1.2469  111.583   27.700   3.24  -3.10   2.19   2.77 
1 1 1    4    6   10 o   34.380   0.3904   38.472 -150.1000  -0.43   0.36   0.93   0.89 
1 1 1    4    6   11 f   69.064   0.7337   72.712  128.700  -0.31  -2.67   0.90  -3.21 
1 1 1    4    6   12 f   26.268   0.2264   35.719   29.000  -0.35  -2.35   1.61  -1.17 
1 1 1    4    6   13 f   55.757   1.7315   40.752  145.400  -6.61  -3.80  -0.81  -4.07 
1 1 1    4    6   14 o   20.221   0.8379   19.875 -106.7000  -1.55   1.51  -0.36   1.32 
1 1 1    4    6   15 o   57.597   4.7662   54.904 -74.9000  16.50 -42.39   8.44   9.57 
1 1 1    4    6   16 o   17.494   0.2892   24.004 -173.5000  -0.28   4.83   3.72   0.17 
1 1 1    4    6   17 o   53.208   1.1742   62.018  164.000   0.24   0.38  -1.21  -0.54 
1 1 1    4    6   18 o   24.511   0.7382   30.250   30.000  -0.05   1.03   0.45   0.12 
1 1 1    4    6   19 o   96.548   4.2683   88.810   44.300  14.91  52.14  21.29 -10.33 
1 1 1    4    6   20 o   19.773   0.9530   34.655 -119.5000  -5.90  -1.36  -1.76  -0.76 
1 1 1    4    6   21 f   66.082   0.5702   61.958 -68.2000  -0.02   1.31   1.80  -2.74 
1 1 1    4    6   22 o   13.806   0.6640   21.536   69.800   4.46  -0.33  -2.15   0.42 
1 1 1    4    6   23 o   49.771   0.6704   49.774 -121.7000  -1.74  -1.83  -0.01  -0.21 
1 1 1    4    6   24 o   38.714   0.7721   40.197 -159.5000  -7.20   5.62  -0.41   2.32 
1 1 1    4    6   25 o   13.949   0.2565   18.264 -137.8000   0.02   0.25   0.37  -0.27 
1 1 1    4    6   26 o   30.704   0.3524   23.096 -22.4000   0.46  -0.50   0.02   0.07 
1 1 1    4    6   27 o   37.568   0.3399   33.769   9.2000  -0.66   0.34   0.95   1.10 
1 1 1    4    6   28 o   11.641   0.3413   12.255 -139.0000   0.14   0.11  -0.53   1.35 
1 1 1    4    6   29 o   24.094   0.4954   17.517   71.900  -1.67   1.77  -0.35   1.57 
1 1 1    4    6   30 o   28.088   0.6720   19.518 -24.2000   4.23  -3.06  -1.04   1.89 
1 1 1    4    6   31 f   15.804   0.7073   12.720   12.300   4.57   1.00  -0.99  -0.63 
1 1 1    4    6   32 o   24.974   0.4213   23.252   78.000   0.03  -0.76   0.06  -0.01 
1 1 1    4    6   33 o   16.938   0.4118   21.764   51.300  -1.49   5.30   2.00   2.62 
1 1 1    4    6   34 o   12.327   0.3304   11.100 -154.1000  -0.06   0.05   0.00   0.00 
1 1 1    4    6   35 o   19.120   0.3743   21.884 -152.4000  -2.89   3.18   1.52   1.51 
1 1 1    4    6   36 o   20.067   0.4141   16.303  111.400  -2.52   0.10  -0.49  -0.74 
1 1 1    4    6   37 o   13.516   0.3404   10.520 -147.6000   0.98   0.53  -0.18  -0.02 
1 1 1    4    6   38 o   9.7399   0.5980   9.8538   2.0000   1.54   1.57   0.39  -0.27 
1 1 1    4    6   39 o   9.5541   0.5395   6.6991   23.000  -0.47  -1.51   0.27   0.20 
1 1 1    4    6   40 o   7.7100   0.5815   7.9294 -110.0000  -0.11  -0.90   0.01   0.10 
1 1 1    4    6   41 o   3.8174   0.9114   1.2927  131.900   0.09  -0.19  -0.01  -0.01 
1 1 1    4    6   42 o   2.3481   1.1474   3.9645   96.100  -0.01   0.27  -0.02  -0.01 
1 1 1    4    6   43 o   6.1015   0.8854   4.9583 -17.8000   1.45  -0.66   0.04   0.17 
1 1 1    4    6   44 o   7.0413   0.8598   3.4075 -156.3000   0.09  -0.44  -0.01   0.01 
1 1 1    4    8    0 f   20.070   0.1606   36.786  -0.0000  -0.23   0.00   0.00   0.00 
1 1 1    4    8    1 o   56.882   0.9912   55.511  179.900  -1.40   1.91   0.38   0.60 
1 1 1    4    8    2 o   52.731   5.9961   56.303   99.500   4.65  33.86   6.81  -1.51 
1 1 1    4    8    3 o   35.418   1.3797   30.946   9.0000   3.50   2.25  -0.82  -1.29 
1 1 1    4    8    4 o   49.597   0.3983   47.403   98.600  -0.05   0.28  -0.61  -0.43 
1 1 1    4    8    5 o   27.151   3.3262   28.324 -41.3000  11.18  -6.08  -1.98   2.73 
1 1 1    4    8    6 o   74.578   1.3607   77.909 -89.1000   0.05  -0.45   0.06   0.12 
1 1 1    4    8    7 o   43.870   2.1168   59.847  113.200  -6.89   0.56  -4.06  -0.05 
1 1 1    4    8    8 o   18.375   2.2157   20.551 -155.2000   1.10 -15.27   6.03   1.27 
1 1 1    4    8    9 o   48.264   1.3120   44.206 -28.8000   6.84   6.80   6.80 -14.72 
1 1 1    4    8   10 o   60.569   3.1973   70.708   22.400  14.33  13.48   0.47  -5.10 
1 1 1    4    8   11 o   28.141   0.6373   23.000   59.100   0.76   2.93   0.87  -0.76 
1 1 1    4    8   12 o   34.138   0.3684   46.591   48.300  -1.59   2.19  -4.49   7.48 
1 1 1    4    8   13 f   10.386   0.3294   10.442   67.800  -1.23  -0.53  -1.16  -2.27 
1 1 1    4    8   14 o   21.597   1.8807   14.890 -172.2000 -16.56   3.17  -3.80   1.62 
1 1 1    4    8   15 f   56.593   2.0072   56.196  141.500 -19.76  13.46  -1.51   4.56 
1 1 1    4    8   16 o   23.084   1.5400   23.696 -169.4000  -6.67  -4.43  -0.83  -2.25 
1 1 1    4    8   17 o   32.445   0.8872   47.126 -58.1000  -1.47  -0.72  -0.56  -1.28 
1 1 1    4    8   18 o   11.329   0.2980   1.3474   25.600   0.23  -0.23  -0.16   0.54 
1 1 1    4    8   19 f   48.294   1.4012   51.714   6.0000   1.95   4.19   2.56  -2.06 
1 1 1    4    8   20 o   44.367   0.2414   33.645  134.800   0.35   1.99   0.97  -0.67 
1 1 1    4    8   21 o   65.501   1.2058   82.434  146.600  -0.94   1.66   0.15   1.00 
1 1 1    4    8   22 o   55.735   2.3526   55.143   46.700  15.45  38.41  10.07  -8.67 
1 1 1    4    8   23 o   40.659   0.6304   39.809 -139.8000   0.09  -0.69   0.16   0.10 
1 1 1    4    8   24 o   52.491   0.6211   43.833 -113.2000  -0.40   0.20  -0.11  -0.68 
1 1 1    4    8   25 o   33.291   1.1458   42.702 -44.7000   2.48  -2.83  -0.14   1.62 
1 1 1    4    8   26 o   36.859   0.6205   27.236 -139.2000  -0.34  -0.04   0.29  -0.46 
1 1 1    4    8   27 o   20.174   0.6691   19.962 -101.9000  -5.05  -2.29  -3.18  -5.49 
1 1 1    4    8   28 o   24.120   0.5723   24.582  141.000   0.19   0.81   0.25  -0.03 
1 1 1    4    8   29 o   20.387   0.2897   14.384 -48.4000  -7.04  -6.27  -1.74  -5.86 
1 1 1    4    8   30 o   15.783   0.3187   14.062 -65.4000   1.55  -0.50  -1.42   0.27 
1 1 1    4    8   31 o   28.853   0.2306   32.271   76.100   2.04   0.32  -1.10   0.25 
1 1 1    4    8   32 o   0.0000   2.4029  ?   ?   -0.14   0.07  -0.14  -0.01 
1 1 1    4    8   33 o   6.0157   0.6086   9.5395  -4.2000  -0.11  -0.70   0.10  -0.08 
1 1 1    4    8   34 o   11.946   0.3443   13.367   53.200  -1.79   1.19   0.88   1.56 
1 1 1    4    8   35 o   12.482   0.3622   10.568 -140.2000  -0.30  -0.60  -0.02  -0.10 
1 1 1    4    8   36 o   5.9826   0.6392   8.9210   48.400   1.31  -0.47   1.64   0.85 
1 1 1    4    8   37 f   6.4570   0.6096   4.0892  120.800  -0.94   0.08   0.42  -0.33 
1 1 1    4    8   38 f   0.0000   2.5640  ?   ?   -0.22  -0.16   0.10  -0.00 
1 1 1    4    8   39 o   4.3662   0.8556   4.9728   9.9000  -0.32  -0.17  -0.02   0.01 
1 1 1    4    8   40 o   5.4543   0.7681   3.8649  172.800  -0.50   0.60   0.04   0.02 
1 1 1    4    8   41 f   2.4249   1.1127   1.0502 -171.1000   0.32   0.12  -0.01   0.03 
1 1 1    4    8   42 o   5.2989   1.4187   2.0271 -77.5000  -0.38   0.30   0.00   0.01 
1 1 1    4    8   43 o   6.0627   0.9874   1.5668   21.700   0.30  -0.58   0.01  -0.04 
1 1 1    4   10    0 o   80.139   0.4745   70.644  -0.0000   1.32   0.00   0.00   0.00 
1 1 1    4   10    1 o   16.214   1.3260   37.773 -165.9000  -4.64  -2.16  -1.04  -1.05 
1 1 1    4   10    2 o   38.259   0.6142   28.869  116.700   2.24   3.25   0.03  -2.99 
1 1 1    4   10    3 o   53.684   1.8703   37.621  117.900   8.89  16.42   3.51  -8.52 
1 1 1    4   10    4 o   35.388   1.0808   30.872   81.700  -3.30  -1.98  -0.66  -0.80 
1 1 1    4   10    5 o   62.451   1.7030   67.029 -95.5000  -2.03  -8.27   1.64  -1.43 
1 1 1    4   10    6 o   26.685   1.8988   37.925 -164.8000  -6.44  -4.87  -0.30  -1.64 
1 1 1    4   10    7 o   64.495   0.2970   72.723   50.700  -0.52  -0.78   0.59   0.06 
1 1 1    4   10    8 o   27.532   0.4677   33.377 -120.9000  -2.34   1.73   0.23   3.16 
1 1 1    4   10    9 o   20.531   0.6398   13.801 -27.1000   1.30   6.13   7.44  -1.63 
1 1 1    4   10   10 o   52.000   0.2471   55.488   25.700  -0.76  -0.06  -0.41  -0.31 
1 1 1    4   10   11 o   74.904   1.3446   73.147  174.800  -6.22 -17.43   5.81  -3.76 
1 1 1    4   10   12 o   21.354   2.5858   23.627 -161.2000  -7.36 -32.62  10.34  -5.20 
1 1 1    4   10   13 o   19.874   0.4758   39.034   8.3000   2.58   2.07  -0.22  -1.54 
1 1 1    4   10   14 o   46.776   0.3164   56.507   61.000  -2.25   3.62   0.64   2.20 
1 1 1    4   10   15 f   51.882   0.2641   55.270 -16.6000  -0.19   0.04   0.12  -0.38 
1 1 1    4   10   16 o   20.243   1.9425   27.918 -74.1000  -2.32 -16.95   5.83  -1.45 
1 1 1    4   10   17 o   30.354   0.3556   31.435  172.900   0.10   1.08   0.27  -0.09 
1 1 1    4   10   18 o   28.976   0.8297   18.535 -172.3000   0.42  -4.36   3.87   1.31 
1 1 1    4   10   19 o   26.909   0.5874   19.049   55.100  -1.46   2.12   0.34   1.36 
1 1 1    4   10   20 o   18.946   1.6642   12.727 -84.0000 -12.90 -33.78   8.79  -8.16 
1 1 1    4   10   21 o   41.416   0.8711   51.620   94.200   5.53   2.00  -3.08  -3.56 
1 1 1    4   10   22 o   67.339   0.4839   62.235   46.000   6.50  -0.51  -1.33   0.42 
1 1 1    4   10   23 o   31.807   0.4511   33.991 -85.9000   5.27   0.32  -2.35   0.12 
1 1 1    4   10   24 o   25.809   0.2277   26.994  156.500  -0.44  -0.19  -0.19  -0.06 
1 1 1    4   10   25 o   37.285   1.0849   39.439 -47.0000   7.59  -4.89  -2.42   3.55 
1 1 1    4   10   26 o   10.134   0.4672   11.617 -150.7000  -1.67   0.80  -0.66   0.63 
1 1 1    4   10   27 o   20.057   0.5367   30.732  138.400  -1.75  -1.62   0.13  -1.06 
1 1 1    4   10   28 o   2.9795   1.3773   4.8380   10.400   0.94  -0.75  -0.10   0.32 
1 1 1    4   10   29 o   26.641   0.3125   22.351 -141.5000   1.07  -1.64   0.44   0.44 
1 1 1    4   10   30 o   3.1722   0.8686   12.539 -159.3000  -0.49  -0.39   0.04  -0.26 
1 1 1    4   10   31 o   13.824   0.8701   16.992   7.0000   0.23  -3.13   0.36  -0.01 
1 1 1    4   10   32 o   11.419   0.3478   10.567 -109.3000   0.91  -0.55  -0.60   0.08 
1 1 1    4   10   33 o   11.314   0.3334   7.7671  121.800   0.38  -0.37  -0.06   0.06 
1 1 1    4   10   34 o   6.2035   0.5371   5.3772   4.6000   0.60  -0.47   0.42   0.22 
1 1 1    4   10   35 o   8.7207   0.4496   4.2735 -95.3000   0.28  -0.20   0.02  -0.14 
1 1 1    4   10   36 o   3.4628   0.8700   2.3568 -19.2000   0.00   0.15  -0.02  -0.01 
1 1 1    4   10   37 o   3.7511   0.8320   4.9425  137.300  -1.11  -0.53   0.31  -0.40 
1 1 1    4   10   38 o   3.4309   0.8923   1.5929 -124.7000   0.26   0.24   0.03  -0.01 
1 1 1    4   10   39 f   4.9270   0.7692   4.0177 -15.7000   0.83  -0.30   0.17  -0.10 
1 1 1    4   10   40 o   8.6908   0.4690   7.6667  117.200  -0.97   0.13   0.16  -0.00 
1 1 1    4   10   41 o   3.9289   1.0941   3.6638 -118.1000   0.01  -0.47   0.01   0.01 
1 1 1    4   10   42 f   6.4478   1.0635   2.2498 -25.3000  -0.61  -0.03   0.01   0.03 
1 1 1    4   12    0 o   38.273   0.2518   39.251  -0.0000   0.23   0.00   0.00   0.00 
1 1 1    4   12    1 f   54.238   1.5289   51.423 -166.7000  -0.31 -33.02  19.60   1.02 
1 1 1    4   12    2 o   26.539   0.4189   33.223 -62.3000   0.57  -2.29   0.60   0.39 
1 1 1    4   12    3 o   41.040   1.4130   43.107   21.100   1.03   8.23   1.16  -0.23 
1 1 1    4   12    4 o   28.263   1.2834   29.753   67.600  -5.14  10.88   2.19   2.91 
1 1 1    4   12    5 f   25.229   0.8762   16.638 -110.0000  -0.56  -0.69   0.01  -0.09 
1 1 1    4   12    6 o   88.551   2.2015   94.847  148.200  -5.26  19.75  10.83   4.10 
1 1 1    4   12    7 o   46.363   0.3548   33.460 -158.2000  -2.39   3.50   0.57   3.30 
1 1 1    4   12    8 o   63.333   0.2823   72.406 -88.7000  -0.33   0.12  -0.33  -0.16 
1 1 1    4   12    9 o   65.558   0.2905   72.974   32.600  -0.38  -2.80   2.10   0.19 
1 1 1    4   12   10 f   89.328   0.9987   91.910   58.600   3.88   2.24  -0.32  -1.16 
1 1 1    4   12   11 o   88.296   2.3346   93.891 -167.6000 -17.92   0.35  -4.90   0.82 
1 1 1    4   12   12 o   59.511   2.0629   58.287 -118.2000   0.03 -16.64   5.87  -0.49 
1 1 1    4   12   13 o   50.297   2.4911   54.294   2.3000  20.96  -1.97  -6.36   1.61 
1 1 1    4   12   14 o   32.582   2.1234   17.185 -126.2000 -10.52  -8.85  -0.36  -2.66 
1 1 1    4   12   15 o   34.445   0.1957   31.408 -89.0000   1.77  -0.02  -3.75  -1.49 
1 1 1    4   12   16 o   15.207   0.2273   12.883 -177.1000  -2.07   0.19  -1.49   0.42 
1 1 1    4   12   17 o   55.538   0.2740   62.712   95.200   0.33   0.68  -3.02  -1.88 
1 1 1    4   12   18 o   31.752   1.7532   31.185 -95.9000  -8.30 -23.42   6.01  -4.52 
1 1 1    4   12   19 o   38.868   0.6124   38.386 -107.0000  -4.64  -4.08  -0.32  -1.49 
1 1 1    4   12   20 o   32.222   0.9927   30.748   60.000   2.77   0.04  -1.11  -0.29 
1 1 1    4   12   21 o   12.870   0.3705   18.806  135.700   0.85   2.00   0.85  -1.17 
1 1 1    4   12   22 o   76.225   0.3552   70.379   34.400   2.63  -1.71   0.88   2.18 
1 1 1    4   12   23 o   46.741   0.2901   45.076 -44.7000   0.52  -0.81   1.56  -2.29 
1 1 1    4   12   24 f   10.971   0.3741   10.912   87.800   1.20   0.75  -0.18  -0.54 
1 1 1    4   12   25 f   23.822   0.2141   16.150   31.600   0.32  -0.20  -0.23   0.10 
1 1 1    4   12   26 o   30.960   0.2556   30.097 -174.3000  -0.48   0.16  -0.16  -0.03 
1 1 1    4   12   27 o   42.802   0.8938   45.540  114.300   7.45  10.19   0.32  -3.20 
1 1 1    4   12   28 o   12.860   0.6681   12.910 -48.4000  -1.90  -5.57   1.85  -0.93 
1 1 1    4   12   29 o   5.1319   0.5999   19.665 -55.4000   0.10  -0.09   0.16  -0.00 
1 1 1    4   12   30 o   7.1195   0.4592   8.4048 -70.4000  -0.48  -0.34  -0.31  -0.19 
1 1 1    4   12   31 o   14.437   0.2775   12.342 -43.4000   1.22  -0.10  -0.46  -0.93 
1 1 1    4   12   32 o   14.712   0.2882   17.665 -162.0000  -0.28   0.29  -0.08  -0.24 
1 1 1    4   12   33 o   21.788   0.4803   19.676  146.200  -4.96   2.85  -1.12   0.60 
1 1 1    4   12   34 o   17.811   0.2488   16.048   29.100   0.71  -0.55   0.41  -0.23 
1 1 1    4   12   35 f   1.7859   1.0403   3.6803  175.800  -0.55  -0.19   0.18   0.45 
1 1 1    4   12   36 o   2.0053   1.1887   1.8196   65.800   0.13   0.61   0.07   0.02 
1 1 1    4   12   37 o   9.6415   0.4157   8.2794  -4.6000   1.54   0.71   0.25   0.65 
1 1 1    4   12   38 o   3.4533   1.6029   6.4958 -143.3000   0.00   0.07   0.00   0.00 
1 1 1    4   12   39 o   0.0000   2.4987  ?   ?    0.02  -0.04  -0.00  -0.00 
1 1 1    4   12   40 o   2.9921   1.0987   2.5620  179.600  -0.51   0.79   0.18   0.01 
1 1 1    4   12   41 o   8.4429   1.3489   4.1795 -83.2000   0.27   0.07  -0.00   0.00 
1 1 1    4   14    1 o   58.284   0.5922   48.787 -43.8000   2.97  -0.99  -0.96   0.48 
1 1 1    4   14    3 o   49.763   0.2302   43.642   68.200  -2.52   1.63  -2.11   2.48 
1 1 1    4   14    5 o   94.354   1.7201   99.285 -163.1000  -4.20   2.07  -0.58   1.39 
1 1 1    4   14    6 o  175.130   2.9478  ?   ?    0.25   1.93   0.07   0.02 
1 1 1    4   14    7 o   93.167   2.7081   93.378   7.6000   7.44 -10.54   1.69   3.18 
1 1 1    4   14    8 o  105.962   0.7269   88.649 -49.7000  -0.90  -2.40   2.45   0.07 
1 1 1    4   14    9 o   75.668   1.7416   62.580  101.400  -3.89  10.35   2.51   1.69 
1 1 1    4   14   10 o   52.023   2.6851   61.938   64.000   8.73  21.52   5.06  -4.36 
1 1 1    4   14   11 o  108.141   0.9075   98.679 -125.7000   0.03  -1.55   0.26   0.13 
1 1 1    4   14   12 o   29.943   1.3141   21.645  110.200 -13.83  -4.37  -3.38  -2.58 
1 1 1    4   14   13 o   42.069   0.2865   38.317   1.5000  -0.30  -0.35   0.03  -0.07 
1 1 1    4   14   14 o   87.052   0.3788   76.935 -91.9000  -1.03  -1.68  -1.20  -2.54 
1 1 1    4   14   15 o   25.018   2.0855   22.325 -177.4000 -15.74 -48.69  13.32 -10.05 
1 1 1    4   14   16 o   51.471   0.7055   40.121   83.700   8.79   6.68  -1.42  -3.63 
1 1 1    4   14   17 o   53.008   1.7485   62.940   50.100   9.70   6.35  -1.60  -2.56 
1 1 1    4   14   18 o   56.076   0.2708   49.678 -137.7000  -1.32   0.38  -0.10   1.34 
1 1 1    4   14   19 o   34.962   1.1532   28.579 -95.0000   2.11  -5.48   1.21   1.51 
1 1 1    4   14   20 o   30.066   0.2006   32.184   68.900   0.70   0.34  -0.74  -0.19 
1 1 1    4   14   21 o   32.837   0.5023   21.693 -141.1000  -3.01  -4.04   0.19  -1.38 
1 1 1    4   14   22 o   30.481   0.5502   29.141 -10.0000   4.23   3.49   0.06  -3.29 
1 1 1    4   14   23 o   29.078   0.3761   19.555   88.700   2.16   0.21  -0.67   0.09 
1 1 1    4   14   24 o   8.5097   0.3247   6.4144  -1.9000   0.34   0.09  -1.33   1.54 
1 1 1    4   14   25 f   19.299   0.5953   20.025  166.900  -4.09  -0.24  -0.97   0.03 
1 1 1    4   14   26 o   10.000   0.8254   18.075   73.100   2.36  -0.16  -0.22   0.00 
1 1 1    4   14   27 o   17.807   0.3119   21.448   18.000   1.60   0.48  -0.87   0.00 
1 1 1    4   14   28 o   7.6075   1.1410   14.055 -146.3000   0.23  -4.89   0.59   0.14 
1 1 1    4   14   29 o   14.942   0.2697   15.055 -27.5000   0.03  -1.10   0.30  -0.73 
1 1 1    4   14   30 o   7.0028   0.4951   11.920 -157.4000  -0.30  -0.69   0.22  -0.03 
1 1 1    4   14   31 o   13.822   0.2686   11.069 -150.9000  -1.22  -0.32   0.07  -0.63 
1 1 1    4   14   32 o   6.8088   0.4750   3.1596 -36.2000   0.44   0.07   0.22   0.26 
1 1 1    4   14   33 o   4.6891   0.6845   4.8863  121.100  -0.33  -0.03  -0.02   0.04 
1 1 1    4   14   34 o   6.4933   0.7709   7.1926 -23.0000  -1.16  -0.50  -0.11  -0.02 
1 1 1    4   14   35 o   4.6020   0.6891   5.5636   71.800  -0.48  -0.22  -0.05   0.03 
1 1 1    4   14   36 o   8.0012   0.5010   10.169   23.200   1.19   0.74   0.37   0.21 
1 1 1    4   14   37 o   7.3549   0.5127   3.1791  101.300  -0.02   0.78  -0.11   0.06 
1 1 1    4   14   38 o   4.4179   0.7993   9.2488  168.500  -0.57   0.73   0.20  -0.03 
1 1 1    4   14   39 o   7.2659   0.7631   4.8378  159.500   0.30   0.02   0.00  -0.01 
1 1 1    4   16    0 o   85.044   0.5026   98.548  180.000   0.57   0.00   0.00   0.00 
1 1 1    4   16    1 o   47.235   0.2215   51.281   24.000   1.10   2.84   6.00  -2.25 
1 1 1    4   16    2 o   38.127   0.3999   44.991 -106.3000   0.95  -0.26  -0.25   0.24 
1 1 1    4   16    3 f   14.788   1.5601   25.738 -46.3000  -5.60 -20.38   4.35  -2.51 
1 1 1    4   16    4 o   52.729   0.2430   56.517  -4.3000   0.08  -3.25   5.52   2.65 
1 1 1    4   16    5 o   28.617   2.4623   27.281 -63.9000 -11.06 -60.62  18.35  -7.33 
1 1 1    4   16    6 o   50.216   0.6015   43.423   72.400   0.15   1.11   0.11  -0.01 
1 1 1    4   16    7 o   88.667   0.7813   86.401  135.900   1.20   4.66   3.47  -6.87 
1 1 1    4   16    8 o   18.409   0.2441   15.685 -141.1000  -0.45  -0.20  -0.08  -0.12 
1 1 1    4   16    9 o   44.126   0.2162   34.509 -128.2000  -0.07  -0.14  -0.28   0.40 
1 1 1    4   16   10 f   8.2187   0.7405   5.5141  128.000  -2.15   5.85   1.71   1.51 
1 1 1    4   16   11 o   33.163   1.3471   33.281 -27.6000   1.44  -6.15   1.66   1.11 
1 1 1    4   16   12 o   17.030   0.8656   15.068 -45.0000   3.02  -1.40  -1.02   0.97 
1 1 1    4   16   13 f   6.8950   0.5842   18.840 -61.3000  -0.39  -3.93   2.88  -0.76 
1 1 1    4   16   14 o   66.074   0.9471   54.798 -171.7000  -1.52   1.12  -1.02   0.59 
1 1 1    4   16   15 o   44.124   0.2451   37.946  111.700   0.49   0.43  -0.23  -0.20 
1 1 1    4   16   16 o   0.0000   1.8885  ?   ?    0.14  -0.11  -0.02   0.07 
1 1 1    4   16   17 o   50.638   0.3335   42.351   21.800   0.92   1.66   1.42  -0.49 
1 1 1    4   16   18 o   42.912   0.5538   41.263 -65.5000  -0.11  -1.06   0.12   0.01 
1 1 1    4   16   19 o   35.880   0.7509   25.966 -82.1000  -5.34  -6.99   1.42  -3.11 
1 1 1    4   16   20 o   25.241   0.1989   18.344   39.900   0.19  -0.01  -0.04  -0.09 
1 1 1    4   16   21 o   25.897   0.7693   27.979 -149.2000 -12.66   6.11  -2.55   4.16 
1 1 1    4   16   22 o   31.983   0.4341   31.672   39.700   1.88   0.83  -0.48  -0.25 
1 1 1    4   16   23 o   20.975   0.4755   32.337   96.300  -4.69   2.48  -1.62   1.30 
1 1 1    4   16   24 o   13.398   0.2464   14.867  163.000   0.14  -0.42   0.37  -0.58 
1 1 1    4   16   25 o   2.8719   0.9748   4.8663 -88.7000   1.67   0.43  -0.48  -0.38 
1 1 1    4   16   26 o   17.063   0.3463   12.917   86.200   0.71   0.94   0.19  -0.15 
1 1 1    4   16   27 o   6.9493   0.5769   9.5925   11.600   3.62  -1.06  -0.87   0.99 
1 1 1    4   16   28 f   12.753   0.3552   11.609 -158.1000  -1.46  -2.31   1.27  -0.59 
1 1 1    4   16   29 o   9.5686   0.3669   5.9710 -134.7000  -0.41  -0.27   0.32   0.23 
1 1 1    4   16   30 f   11.426   0.6493   10.477 -124.9000  -1.62  -2.85   0.30  -0.22 
1 1 1    4   16   31 f   2.6706   1.2762   1.6842 -62.6000   0.44   0.44   0.02  -0.05 
1 1 1    4   16   32 o   11.661   0.3775   10.880 -47.1000   0.22  -2.52   0.55  -0.91 
1 1 1    4   16   33 o   9.1655   0.5538   9.5428  154.900  -0.77   2.04   0.49  -0.22 
1 1 1    4   16   34 o   4.9067   0.6610   5.5678   47.600   0.30   0.41  -0.06   0.08 
1 1 1    4   16   35 o   7.0526   0.5158   5.7709   31.800   0.42  -0.43  -0.06  -0.02 
1 1 1    4   16   36 o   6.1700   0.6722   4.9543 -33.6000   0.41  -0.58  -0.02   0.04 
1 1 1    4   16   37 o   6.3004   0.6858   1.8799   87.300   0.45   0.15  -0.02   0.02 
1 1 1    4   18    0 o   7.0427   0.3512   8.9018  -0.0000   0.05   0.00   0.00   0.00 
1 1 1    4   18    1 o   24.487   0.5765   25.601   30.300   0.59   1.76   0.99  -0.44 
1 1 1    4   18    2 o   27.744   0.1849   28.419 -172.5000  -0.37  -0.02   1.09   1.63 
1 1 1    4   18    3 o   18.733   0.6226   26.946   8.4000   0.63  -2.66   0.74   0.27 
1 1 1    4   18    4 o   48.523   0.2696   39.314   19.100   0.82  -0.91   0.78   0.68 
1 1 1    4   18    5 o   33.654   0.3356   32.529 -49.0000   0.01  -0.05  -0.02   0.00 
1 1 1    4   18    6 o   34.940   0.8322   40.242 -147.4000  -0.72  -4.22   3.72  -0.20 
1 1 1    4   18    7 o   49.023   0.4744   37.092 -39.5000   0.95   0.47  -0.23  -0.12 
1 1 1    4   18    8 o   25.425   1.6629   32.888  117.700   1.83  14.00   4.84  -0.92 
1 1 1    4   18    9 o   54.593   0.8625   51.628  139.800  -0.02   4.78   1.75  -0.51 
1 1 1    4   18   10 o   13.053   0.3268   27.920 -42.5000   1.08   3.35   1.46  -1.26 
1 1 1    4   18   11 o   26.690   0.2619   31.586   79.600   0.71  -0.24  -2.82  -2.01 
1 1 1    4   18   12 o   6.7430   0.4080   13.951 -74.4000  -0.69  -2.07   0.45  -0.37 
1 1 1    4   18   13 f   44.018   1.0558   32.219  173.800  -5.41   1.76  -2.44   0.97 
1 1 1    4   18   14 o   24.068   0.1711   34.324 -179.8000   0.06   4.43   6.12  -1.85 
1 1 1    4   18   15 o   25.785   1.1759   26.479 -113.3000 -19.98 -12.56  -2.98  -5.20 
1 1 1    4   18   16 o   32.996   0.4132   31.118  -9.8000   3.77   4.11   5.25  -7.63 
1 1 1    4   18   17 o   34.139   1.1615   30.248 -12.6000  21.25  -4.82  -5.11   3.20 
1 1 1    4   18   18 o   17.224   0.5049   15.324  -9.9000   5.76   2.10  -2.52  -1.57 
1 1 1    4   18   19 o   10.721   1.1928   12.819 -82.1000   6.09 -12.42   1.58   2.35 
1 1 1    4   18   20 o   4.5487   0.4615   5.2181  133.400   0.08  -0.33   0.16   0.40 
1 1 1    4   18   21 o   17.134   0.1984   15.765   44.200  -0.10   0.12   0.05  -0.00 
1 1 1    4   18   22 o   16.662   0.2811   21.481   43.700   0.05   1.95   0.34   0.12 
1 1 1    4   18   23 o   19.981   0.2010   20.971  148.100  -0.72  -0.10  -0.16   0.27 
1 1 1    4   18   24 o   11.946   0.4531   8.6233 -171.2000  -0.63  -0.38  -0.03  -0.03 
1 1 1    4   18   25 o   4.1277   0.5823   4.3850 -11.9000   0.15   0.18   0.15   0.05 
1 1 1    4   18   26 o   6.1829   0.5545   7.9447   65.200  -0.41   0.41  -0.01   0.04 
1 1 1    4   18   27 o   5.1058   0.4882   3.2232 -35.4000   0.35   0.07   0.20   0.35 
1 1 1    4   18   28 o   11.654   0.5686   13.327 -139.2000   0.16  -3.28   0.64   0.55 
1 1 1    4   18   29 o   12.922   0.6152   9.9048  125.700  -2.24   2.33   0.08   0.19 
1 1 1    4   18   30 f   6.1878   0.4758   3.7146 -62.9000   0.50  -0.03   0.11   0.09 
1 1 1    4   18   31 o   2.7000   1.2731   3.8680 -86.0000   0.06  -0.69   0.04   0.02 
1 1 1    4   18   32 o   4.4489   0.6809   1.0131 -78.1000   0.10   0.14  -0.01  -0.00 
1 1 1    4   18   33 o   6.5511   0.5130   6.8672  123.800  -0.59   0.47  -0.02  -0.16 
1 1 1    4   18   34 o   5.2876   0.5929   4.0336   17.100   0.23  -0.04   0.03  -0.02 
1 1 1    4   18   35 o   6.2609   0.7709   3.2834  125.700   0.61  -0.57  -0.10  -0.04 
1 1 1    4   20    0 o   2.9665   0.3718   3.2303  180.000  -0.01   0.00   0.00   0.00 
1 1 1    4   20    1 o   28.387   0.3343   35.375 -125.3000  -1.98   0.39  -0.33   0.20 
1 1 1    4   20    2 o   14.377   0.1881   14.662 -150.7000   0.19   0.35   0.41  -0.23 
1 1 1    4   20    3 o   73.668   2.0722   80.255   46.600  -3.08  18.92   6.12   3.85 
1 1 1    4   20    4 o   22.291   1.0302   20.463 -147.1000  -0.97  -8.16   2.80  -0.42 
1 1 1    4   20    5 o   54.658   1.3386   43.401 -41.9000   0.95  -7.55   3.68   2.37 
1 1 1    4   20    6 f   16.156   1.4213   15.727   16.400   9.57  17.07   2.61  -3.86 
1 1 1    4   20    7 o   4.3347   0.8247   4.9155   62.100  -2.15   4.64   0.84   1.05 
1 1 1    4   20    8 o   21.381   0.6156   17.731   36.800   7.38  -1.17  -1.60   0.70 
1 1 1    4   20    9 f   55.448   0.3066   47.128  165.400  -2.17   9.54   7.13  -0.24 
1 1 1    4   20   10 o   6.7999   0.3712   9.2288 -57.2000   0.30  -0.12  -0.02   0.01 
1 1 1    4   20   11 o   17.831   0.4338   15.913  115.800   1.76   6.67   6.80  -2.34 
1 1 1    4   20   12 o   11.033   0.5050   17.266 -134.9000  -0.71  -5.07   2.11  -0.41 
1 1 1    4   20   13 o   12.757   0.4248   10.465 -119.4000   0.05  -2.77   1.12   0.31 
1 1 1    4   20   14 o   16.611   0.1973   9.7585   65.700   0.84  -0.19  -0.82  -0.43 
1 1 1    4   20   15 o   2.5668   1.1786   1.8407 -173.1000  -0.59  -3.08   0.42  -0.18 
1 1 1    4   20   16 o   5.8176   0.3066   0.9177   30.800  -0.12   0.14  -0.45   0.10 
1 1 1    4   20   17 o   7.9978   0.7589   9.3726   60.800   5.03   1.26  -1.17  -0.49 
1 1 1    4   20   18 o   1.8416   0.7177   6.0641   3.3000  -0.30  -0.45  -0.00  -0.35 
1 1 1    4   20   19 o   11.209   0.2273   15.754 -98.6000  -0.42  -0.27  -0.60   0.54 
1 1 1    4   20   20 f   7.7564   0.4121   6.8630  113.800   2.51   0.40  -1.33   0.03 
1 1 1    4   20   21 o   10.628   0.2363   11.095   43.500  -0.22  -0.40   0.20   0.04 
1 1 1    4   20   22 o   7.3145   0.3169   7.1978 -137.5000  -1.25   0.12  -0.57   0.91 
1 1 1    4   20   23 o   0.0000   1.8166  ?   ?   -0.26  -0.31   0.03  -0.06 
1 1 1    4   20   24 o   6.7839   0.3552   5.6068   29.000  -1.25   0.22  -0.43  -0.19 
1 1 1    4   20   25 o   3.2205   0.6644   0.9003   41.600   0.35   0.07   0.05  -0.15 
1 1 1    4   20   26 o   10.262   0.2816   9.2842 -78.6000   1.29  -0.93  -1.10  -0.22 
1 1 1    4   20   27 o   2.5411   1.1826   2.8215  176.800  -0.15   1.11   0.13   0.10 
1 1 1    4   20   28 f   7.5864   0.6537   1.3219   26.000   2.58   0.12  -0.22   0.10 
1 1 1    4   20   29 o   0.0000   2.0916  ?   ?   -0.08   0.02   0.00  -0.01 
1 1 1    4   20   30 o   2.8130   0.8200   3.2871 -172.0000  -0.10  -0.19   0.01   0.00 
1 1 1    4   20   31 o   2.8188   1.3296   2.7032  177.200  -0.30  -0.99   0.14  -0.01 
1 1 1    4   20   32 o   5.9989   0.6146   6.2130   28.000   0.44   0.05   0.08  -0.00 
1 1 1    4   22    0 o   19.713   0.1834   32.824  180.000  -0.76   0.00   0.00   0.00 
1 1 1    4   22    1 o   9.8262   0.5280   9.0796 -24.5000   0.09  -9.77   5.61  -0.52 
1 1 1    4   22    2 o   20.354   0.8638   19.485 -61.9000  -0.46 -13.87   3.53  -0.70 
1 1 1    4   22    3 o   0.0000   1.3765  ?   ?    0.02   0.09   0.05  -0.07 
1 1 1    4   22    4 o   11.647   0.1617   12.952 -150.0000  -0.62   0.84   1.13   0.84 
1 1 1    4   22    5 o   12.443   0.9044   12.106   35.700   3.56   4.94   0.71  -1.48 
1 1 1    4   22    6 o   32.780   0.9659   26.880   13.400   0.75   5.28   2.50   0.54 
1 1 1    4   22    7 o   11.836   0.3322   19.178 -170.3000  -2.16  -2.13   1.98  -4.47 
1 1 1    4   22    8 o   3.6073   0.5921   9.6780   93.400  -0.04   0.71   0.05   0.00 
1 1 1    4   22    9 o   7.2251   0.5164   4.6403 -93.7000   2.64   0.99  -0.62  -0.71 
1 1 1    4   22   10 o   6.1845   0.5076   2.3658  132.900  -2.49   0.21  -0.59   0.01 
1 1 1    4   22   11 o   8.6016   0.2250   2.3014   36.700   0.21  -0.04   0.02   0.17 
1 1 1    4   22   12 o   10.616   0.9975   9.5855 -90.2000   4.55  -6.86   0.44   1.55 
1 1 1    4   22   13 o   7.0557   0.5576   4.3259   29.000   0.20   2.67   0.47  -0.01 
1 1 1    4   22   14 o   6.6739   0.1788   2.8198  156.600  -0.02   0.08  -0.09   0.03 
1 1 1    4   22   15 o   1.6912   0.7813   7.4609 -171.9000  -0.27  -1.29   0.46  -0.12 
1 1 1    4   22   16 o   3.2010   0.4165   2.7446  177.200  -0.51  -0.09  -0.30   0.05 
1 1 1    4   22   17 o   16.341   0.5277   14.037   41.300   3.63   5.51   1.13  -1.32 
1 1 1    4   22   18 o   5.8714   0.3255   5.4829 -65.9000   1.38  -2.69   1.68   1.14 
1 1 1    4   22   19 o   8.8358   0.4316   4.0340 -16.2000   2.94   1.84  -0.67  -0.63 
1 1 1    4   22   20 o   11.709   0.4569   10.861   84.600   1.55   4.95   0.90  -1.48 
1 1 1    4   22   21 f   12.144   0.4075   9.5443 -151.8000  -3.04   0.28  -0.73   0.73 
1 1 1    4   22   22 o   8.0661   0.2867   5.5842   46.000   0.73   0.24   0.07  -0.21 
1 1 1    4   22   23 o   4.6091   0.4682   7.5828  137.500  -0.06   0.34  -0.14  -0.07 
1 1 1    4   22   24 f   12.634   0.2923   9.5510 -171.7000  -1.99   2.93   0.57   0.32 
1 1 1    4   22   25 o   3.3520   0.6292   2.5936 -127.8000  -0.77  -0.70  -0.13  -0.12 
1 1 1    4   22   26 o   4.8262   0.5050   4.8321 -115.5000  -0.06  -0.17   0.01   0.01 
1 1 1    4   22   27 o   3.1026   0.6818   5.4996 -31.4000   0.87   0.08  -0.10   0.24 
1 1 1    4   22   28 o   7.6361   0.3597   7.2528 -32.9000   0.60  -0.67   0.17   0.05 
1 1 1    4   22   29 o   8.1412   0.5431   6.7208 -108.4000   0.06  -1.33   0.02   0.23 
1 1 1    4   24    0 o   11.406   0.1300   10.444  -0.0000  -0.04   0.00   0.00   0.00 
1 1 1    4   24    1 o   8.2800   0.1504   8.7920  -1.3000   0.63   0.07   4.38  -0.76 
1 1 1    4   24    2 o   4.9110   0.2339   1.4698  156.500  -0.37   0.07   1.81   1.05 
1 1 1    4   24    3 o   12.458   0.2840   14.828  131.500   0.06   1.25   0.52  -0.57 
1 1 1    4   24    4 o   6.3586   1.1077   6.6642   70.600   2.05  19.40   4.45  -0.68 
1 1 1    4   24    5 o   8.7466   0.1813   7.9369 -123.9000   0.07  -0.14   0.03   0.00 
1 1 1    4   24    6 o   3.6484   0.3497   7.1129  153.200  -0.10   0.29   0.38  -0.11 
1 1 1    4   24    7 o   6.0649   0.2552   5.9940  133.800  -1.02   1.42   0.41   0.56 
1 1 1    4   24    8 o   8.2419   0.2279   5.6862  -5.8000   0.34  -4.21   3.00  -0.47 
1 1 1    4   24    9 o   9.0962   0.2039   11.880 -37.6000   0.81  -0.69   0.32   0.56 
1 1 1    4   24   10 o   7.3386   0.2495   9.8342  148.700   1.87   7.32   4.03  -3.72 
1 1 1    4   24   11 f   11.375   0.3982   5.3537 -88.1000   0.32  -0.08  -0.09  -0.10 
1 1 1    4   24   12 o   9.8230   0.2229   5.4779 -48.6000  -2.16  -5.71   0.94  -1.50 
1 1 1    4   24   13 o   8.4969   0.3897   4.6088   67.200  -0.43   0.48  -0.30   0.15 
1 1 1    4   24   14 o   9.8161   0.3158   8.1487 -96.0000  -0.63  -0.17   0.73   0.03 
1 1 1    4   24   15 o   3.4401   0.5077   2.0060 -14.2000   2.39  -2.35  -0.16   0.93 
1 1 1    4   24   16 o   2.0240   0.4638   2.1074 -119.1000   0.75   0.33  -0.11  -0.25 
1 1 1    4   24   17 f   9.5027   0.1873   8.4646   48.900   1.93  -0.23  -0.38   0.85 
1 1 1    4   24   18 o   8.0248   0.2114   7.0045   1.2000   2.99  -0.25  -0.86   0.87 
1 1 1    4   24   19 o   4.0273   0.4036   3.8079 -173.2000  -1.06   0.35  -0.08   0.32 
1 1 1    4   24   20 o   10.931   0.3902   7.9685   52.900   1.18  -0.12  -0.10  -0.07 
1 1 1    4   24   21 o   1.8617   0.6771   3.5377  129.200   0.05   0.35   0.05   0.13 
1 1 1    4   24   22 o   4.0374   0.8558   6.2180   83.300   0.51   0.28  -0.02  -0.01 
1 1 1    4   24   23 o   2.7230   0.6229   4.3010 -179.9000  -0.09  -0.09   0.03   0.02 
1 1 1    4   24   24 o   6.3711   0.3529   8.5622 -173.3000  -0.45  -0.06   0.19   0.12 
1 1 1    4   24   25 o   5.5232   0.6177   2.0393 -154.1000  -0.03   0.14   0.00   0.00 
1 1 1    4   26    0 o   4.3243   0.6210   3.1167  -0.0000  -0.27   0.00   0.00   0.00 
1 1 1    4   26    1 o   7.4541   1.1205   11.446  135.500  -2.41  29.37   5.80   0.56 
1 1 1    4   26    2 o   8.4915   0.1627   9.3791   72.200   0.36   0.03  -0.02  -0.17 
1 1 1    4   26    3 o   5.7674   0.5467   6.9202 -20.9000   2.45  -4.66   1.27   1.19 
1 1 1    4   26    4 o   8.4882   0.3441   4.4807   81.500   0.53   3.76   0.71  -0.02 
1 1 1    4   26    5 o   5.2841   0.2651   8.0866 -162.6000  -0.66  -0.07   1.17   1.60 
1 1 1    4   26    6 o   9.5414   0.1843   10.060  113.000   0.70  -0.25  -0.19  -0.07 
1 1 1    4   26    7 o   6.7318   0.9346   7.6231 -82.0000   3.54  -7.82   0.93   0.77 
1 1 1    4   26    8 o   8.6841   0.2057   5.5679 -107.5000   1.03   0.37  -0.55   0.74 
1 1 1    4   26    9 o   1.6597   0.6993   2.1972   87.700  -0.35   0.37   0.10   0.12 
1 1 1    4   26   10 o   6.4195   0.2747   10.044 -149.6000  -0.66  -1.14   1.29   0.60 
1 1 1    4   26   11 o   6.2578   0.7454   6.4930   69.700  -0.11   4.94   0.82   0.28 
1 1 1    4   26   12 o   5.0225   0.3616   5.0824   28.000   0.56  -0.85   0.39   0.08 
1 1 1    4   26   13 o   4.0138   0.4188   3.0509 -150.5000  -0.02   0.62   0.10  -0.21 
1 1 1    4   26   14 o   5.9183   0.3546   7.6951 -92.6000  -0.02  -0.51   0.02   0.12 
1 1 1    4   26   15 o   1.5638   0.7555   3.1208 -75.3000  -0.09  -0.15  -0.06   0.01 
1 1 1    4   26   16 o   3.8898   0.5215   3.5668   22.400   0.21   0.08  -0.01   0.00 
1 1 1    4   26   17 o   2.7480   0.3257   1.4712   91.100  -0.46  -0.27  -0.00  -0.13 
1 1 1    4   26   18 o   2.9005   0.3659   7.3045 -39.3000   0.28   0.02  -0.04  -0.12 
1 1 1    4   26   19 o   3.8178   0.3675   0.2125  121.900  -0.13  -0.50  -0.04  -0.25 
1 1 1    4   26   20 o   11.678   0.8770   7.7230   65.000  -1.75   0.91  -0.16  -0.01 
1 1 1    4   28    0 o   4.6476   0.5709   13.866 -180.0000  -0.63   0.00   0.00   0.00 
1 1 1    4   28    1 o   3.3937   0.5078   5.0153  -8.5000   0.05   0.06   0.01   0.01 
1 1 1    4   28    2 o   7.8476   0.4407   10.526 -15.2000   1.17  -4.08   2.21  -0.20 
1 1 1    4   28    3 o   4.7169   0.2834   5.8080   87.400  -0.15   0.76   0.25  -0.22 
1 1 1    4   28    4 o   4.8901   0.2605   2.5222  176.800  -0.36  -0.26   0.22   0.31 
1 1 1    4   28    5 o   3.0032   0.4092   4.2269 -28.3000  -0.12  -0.21  -0.12  -0.00 
1 1 1    4   28    6 f   7.5517   0.4929   5.7569   46.100  -0.92   2.76   0.25   0.42 
1 1 1    4   28    7 o   3.2851   0.4455   2.7790 -137.1000  -0.19   0.31  -0.02   0.07 
1 1 1    4   28    8 o   6.9044   0.3790   5.3788  157.900  -0.95   1.09   0.17   0.21 
1 1 1    4   28    9 o   6.2345   0.2839   3.1000 -136.6000  -0.50  -0.59  -0.12  -0.14 
1 1 1    4   28   10 o   6.7208   0.2663   5.7752 -100.8000   0.42   0.19  -0.06   0.00 
1 1 1    4   28   11 o   6.3000   0.3808   4.1611   89.400   0.06   0.35  -0.13  -0.02 
1 1 1    4   28   12 o   1.7321   2.3530   1.8451  108.200  -0.02  -0.05   0.00   0.00 
1 1 1    5    1    0 o   77.285   0.5326   45.280  180.000   0.56   0.00   0.00   0.00 
1 1 1    5    1    1 o   17.118   1.2160   4.6231  129.300  -1.29   0.34  -0.32   0.25 
1 1 1    5    1    2 o   37.974   1.0137   37.664 -54.2000   1.60   2.43   0.16  -1.61 
1 1 1    5    1    3 o   75.996   1.9463   75.089 -161.6000   1.58  -2.66   0.79   0.56 
1 1 1    5    1    4 o   51.197   0.7091   42.080 -45.7000   1.28   0.42  -0.14  -1.26 
1 1 1    5    1    5 o   61.586   1.6465   73.025  -4.6000   0.05  -2.48   0.75   0.37 
1 1 1    5    1    6 o   61.892   1.0647   79.613 -48.0000   0.54  -1.88   0.54   0.76 
1 1 1    5    1    7 o   48.597   2.0008   33.432  126.100  -7.15   1.11  -2.84   0.46 
1 1 1    5    1    8 o  102.863   0.4651  101.072  152.100  -0.16   2.24   1.60  -2.41 
1 1 1    5    1    9 o   51.998   1.7328   57.707   14.700   3.03  -3.69   0.68   1.65 
1 1 1    5    1   10 o   19.441   2.4289   17.344 -19.9000   4.52 -11.85   3.90   3.17 
1 1 1    5    1   11 o   64.260   3.7157   63.341 -170.9000 -15.75  11.75  -1.27   7.66 
1 1 1    5    1   12 o   68.118   2.2608   67.553  -0.9000   6.97  -3.98  -0.93   1.16 
1 1 1    5    1   13 o   25.340   2.9141   29.661  176.000 -11.47  -9.91  -0.72  -3.32 
1 1 1    5    1   14 o   11.147   0.5270   14.363 -94.2000   0.44  -1.35   1.21   0.56 
1 1 1    5    1   15 o   19.854   1.0639   14.956 -38.7000   1.10  -1.29   0.19   0.52 
1 1 1    5    1   16 o   39.600   0.4050   53.820 -149.2000  -0.56  -0.72   0.49  -0.30 
1 1 1    5    1   17 o   64.512   1.8045   63.961   62.300   6.56   2.72 -10.91  -0.47 
1 1 1    5    1   18 o   22.365   2.2743   40.154  102.700  -9.75  16.90   2.93   4.75 
1 1 1    5    1   19 o   46.843   0.8481   56.567   87.800  -0.50   1.08   0.71   0.37 
1 1 1    5    1   20 o   41.095   1.3920   39.635   1.5000   8.27  -7.76   0.14   5.14 
1 1 1    5    1   21 o   74.438   0.3343   58.416 -105.7000   0.23  -0.89  -4.57   0.91 
1 1 1    5    1   22 o   41.412   0.2264   35.478  175.400  -0.22  -0.17   0.47  -0.29 
1 1 1    5    1   23 o   27.561   1.1166   23.618  -0.6000   1.06  -6.63   2.09   0.54 
1 1 1    5    1   24 o   28.307   0.2282   21.237  166.200  -0.38  -1.45   3.61  -6.91 
1 1 1    5    1   25 o   29.014   1.0002   36.971 -126.6000   2.34 -15.74   6.42   2.33 
1 1 1    5    1   26 o   30.811   0.2996   20.363 -10.2000  -0.31   1.51   1.21   0.19 
1 1 1    5    1   27 o   2.9237   1.3831   3.0760 -63.2000  -0.94   1.95   0.16   0.22 
1 1 1    5    1   28 o   38.590   0.5986   34.584  170.800   0.81   1.09  -0.10  -0.56 
1 1 1    5    1   29 o   35.821   0.2408   43.088   69.000   0.62   0.32  -1.03   0.31 
1 1 1    5    1   30 o   24.239   0.3319   20.699  -2.3000   0.68   1.40   0.30  -0.24 
1 1 1    5    1   31 f   18.008   0.2521   13.718 -135.2000  -0.47   0.29   0.69   0.77 
1 1 1    5    1   32 o   15.960   0.2901   14.813   44.300   0.34  -1.43   0.96   1.78 
1 1 1    5    1   33 o   5.2650   0.7146   10.230 -53.3000  -0.04   0.14   0.01   0.03 
1 1 1    5    1   34 o   25.410   0.5430   28.436  179.400  -2.32   4.34   0.14   2.54 
1 1 1    5    1   35 o   18.533   0.4815   13.309   94.100   3.95  -2.08  -1.92   0.72 
1 1 1    5    1   36 o   9.3506   0.4304   9.6368 -98.5000   0.09  -0.32   0.02   0.00 
1 1 1    5    1   37 o   17.596   0.2779   12.820 -140.7000   1.32  -1.21   0.44   0.29 
1 1 1    5    1   38 o   4.8659   0.9795   5.7142   76.300   1.53  -0.39  -0.28  -0.02 
1 1 1    5    1   39 o   7.7481   0.5800   4.8317 -11.0000  -0.43   0.61   0.11  -0.12 
1 1 1    5    1   40 o   5.5795   0.6768   5.3616 -156.2000  -0.17   0.75  -0.10  -0.14 
1 1 1    5    1   41 o   5.1809   0.7274   3.8963   44.200  -0.49   1.22  -0.09   0.16 
1 1 1    5    1   42 o   0.0000   2.5593  ?   ?   -0.17  -0.11   0.02   0.00 
1 1 1    5    1   43 o   2.0490   1.2167   1.7463 -100.1000  -0.02  -0.00  -0.00   0.00 
1 1 1    5    1   44 o   7.0388   0.9549   6.7923 -12.6000   0.42  -0.02   0.01   0.01 
1 1 1    5    3    0 o   24.427   0.1768   61.943  -0.0000   0.09   0.00   0.00   0.00 
1 1 1    5    3    1 o   42.368   0.6501   29.253 -14.1000   0.01   0.08   0.00  -0.01 
1 1 1    5    3    2 o   27.281   1.7822   21.859 -146.5000  -1.65  -0.30  -0.41  -0.07 
1 1 1    5    3    3 o   57.189   2.4861   51.012  128.900  -3.14  -0.55  -0.75  -0.04 
1 1 1    5    3    4 o   22.938   1.1151   21.024 -37.8000   1.33   2.50   0.61  -1.17 
1 1 1    5    3    5 o   15.240   0.4852   20.641 -95.1000   0.98  -0.88   0.09   1.33 
1 1 1    5    3    6 o   16.759   0.5006   13.945  157.900   1.09   0.21  -1.83  -1.51 
1 1 1    5    3    7 f   56.686   3.2799   49.654  -3.6000  12.77  -1.88  -2.16   0.86 
1 1 1    5    3    8 o   81.760   1.9990   83.063 -69.0000  -2.94  -1.19  -0.43  -0.88 
1 1 1    5    3    9 o   42.144   0.2002   41.307 -176.7000  -0.59   1.22   4.53  -0.08 
1 1 1    5    3   10 o   25.702   3.1816   19.521   16.500  11.04   1.37  -2.04  -0.42 
1 1 1    5    3   11 o   14.774   2.5019   4.3805  128.100 -12.35  -6.54  -3.34  -4.57 
1 1 1    5    3   12 o   60.777   1.8727   54.393  117.700   0.55   6.90   1.19   0.06 
1 1 1    5    3   13 o   15.412   0.4636   36.603   79.500   0.55   0.25  -0.35  -0.20 
1 1 1    5    3   14 o   29.692   0.3512   29.553 -50.6000   0.16  -0.65  -3.71  -1.81 
1 1 1    5    3   15 o   12.564   0.2031   7.6073 -62.2000   0.10   0.08   0.61   0.34 
1 1 1    5    3   16 o   44.750   0.6186   45.856 -139.7000   0.46  -1.15  -2.14   2.04 
1 1 1    5    3   17 o   33.260   0.9076   35.585 -83.5000   0.64   0.09  -0.45   0.04 
1 1 1    5    3   18 f   72.172   0.3233   75.809  128.700 -18.74 -11.00  -3.24  -7.58 
1 1 1    5    3   19 o   35.066   0.9905   37.377  104.300   2.61   1.00  -3.93  -1.92 
1 1 1    5    3   20 o   30.313   0.1926   25.913   11.000  -3.17   3.21  -0.81   5.17 
1 1 1    5    3   21 o   24.738   1.9556   18.926 -162.5000 -11.86   3.10  -2.67   1.63 
1 1 1    5    3   22 f   34.299   1.3837   31.582  -7.5000   9.43   0.85  -2.84  -0.71 
1 1 1    5    3   23 o   53.792   0.2714   48.673 -83.4000  -0.54  -0.08  -0.64   1.04 
1 1 1    5    3   24 o   28.398   1.0647   37.739 -125.6000  -5.70  -6.04   0.22  -1.99 
1 1 1    5    3   25 o   23.490   0.6087   31.314   66.300  -1.14   6.98   3.48   1.45 
1 1 1    5    3   26 o   16.721   0.4859   7.9725 -34.3000   2.18   2.50   0.73  -2.43 
1 1 1    5    3   27 o   24.065   0.5069   28.775  162.800  -2.18  -0.12  -0.75  -0.24 
1 1 1    5    3   28 o   44.995   0.8476   40.580  154.300   0.45   2.85   1.06  -0.90 
1 1 1    5    3   29 o   22.289   0.5493   21.583 -56.0000  -0.61  -1.88   0.14  -0.08 
1 1 1    5    3   30 o   27.261   0.2253   22.932   42.400   0.29   0.06  -0.03  -0.03 
1 1 1    5    3   31 f   18.999   0.3972   18.707   67.600   1.72   0.52  -0.28  -0.31 
1 1 1    5    3   32 o   22.714   0.2570   28.143   10.400  -0.84   0.09  -0.48  -0.32 
1 1 1    5    3   33 o   15.555   0.3137   13.577 -94.2000   1.83   1.47  -0.48  -0.67 
1 1 1    5    3   34 o   14.769   0.2991   21.423 -149.9000  -0.10   0.68   0.11   0.20 
1 1 1    5    3   35 o   5.4607   0.9102   4.0298   12.500   2.14  -0.93  -0.41   0.23 
1 1 1    5    3   36 o   9.9442   0.4476   13.950 -140.1000  -0.05  -0.69   0.05  -0.24 
1 1 1    5    3   37 o   5.4426   0.7057   8.7211  168.500   1.08   0.31  -0.07  -0.14 
1 1 1    5    3   38 o   6.8288   0.5684   7.2689   33.100  -0.18  -0.97   0.21   0.17 
1 1 1    5    3   39 o   4.5994   0.8849   4.8254 -96.9000  -0.93   1.23  -0.32   0.24 
1 1 1    5    3   40 o   6.5494   0.6163   3.7337  178.400   0.32  -1.12   0.10  -0.13 
1 1 1    5    3   41 o   8.6033   0.5239   10.232   61.300   0.24  -0.45  -0.01   0.01 
1 1 1    5    3   42 o   4.1151   0.8853   4.4974   30.600  -0.48   0.52   0.06  -0.06 
1 1 1    5    3   43 o   4.0542   1.0316   2.8019 -142.0000  -0.33  -0.19   0.03  -0.00 
1 1 1    5    3   44 o   5.3116   1.2423   2.2013   97.900  -0.35   0.61  -0.03   0.01 
1 1 1    5    5    0 o   19.079   0.1585   16.740  -0.0000   0.05   0.00   0.00   0.00 
1 1 1    5    5    1 o   44.365   2.9994   41.788 -98.3000  -9.04 -10.60   0.29  -3.68 
1 1 1    5    5    2 o   43.336   0.3511   38.705 -174.3000  -1.30   0.90   0.13   1.50 
1 1 1    5    5    3 o   32.050   1.6077   26.020  120.100  -5.96  -0.51  -2.77  -0.82 
1 1 1    5    5    4 o   51.746   1.1681   32.677   43.900   0.12   2.14   1.08   0.24 
1 1 1    5    5    5 o   60.771   1.2958   52.341   46.900   0.51   0.77   0.47  -0.27 
1 1 1    5    5    6 o   43.294   0.4433   57.717 -98.2000  -4.11   0.05  -2.25   0.54 
1 1 1    5    5    7 o   27.811   0.1649   25.474  146.300  -0.06   0.06   0.02   0.02 
1 1 1    5    5    8 o   19.532   3.8072   9.6695 -169.5000 -10.45 -16.27   2.40  -4.82 
1 1 1    5    5    9 o   11.988   1.4864   15.466 -166.3000   0.28  -3.66   1.22   0.25 
1 1 1    5    5   10 o   33.426   5.9839   35.333 -46.7000  31.04 -49.67   7.00  13.28 
1 1 1    5    5   11 o   41.320   0.1978   48.287 -10.5000   0.62   0.20  -0.24   0.01 
1 1 1    5    5   12 o   55.611   2.4706   44.877  148.700 -10.44  29.74   9.91   5.97 
1 1 1    5    5   13 o   32.473   0.4175   21.502 -119.5000  -3.19  -0.67  -2.16  -0.20 
1 1 1    5    5   14 f   35.409   2.7723   37.540   10.500  14.95  10.17  -1.28  -4.43 
1 1 1    5    5   15 o   55.147   1.4661   50.215 -168.2000  -1.06   5.73   2.09   1.93 
1 1 1    5    5   16 o   18.156   2.3499   20.655 -162.6000 -28.07  -0.24  -6.17  -0.01 
1 1 1    5    5   17 o   62.624   1.4557   46.744 -34.8000  10.96  -1.31  -1.17   0.37 
1 1 1    5    5   18 o   29.213   2.4286   41.661   44.900  34.09   4.49  -7.76  -1.87 
1 1 1    5    5   19 o   19.421   1.6809   20.378 -115.9000   1.76 -12.63   3.33   1.06 
1 1 1    5    5   20 o   11.096   0.7875   0.9101   74.500   5.27  -1.07  -2.63   1.23 
1 1 1    5    5   21 o   43.951   0.2298   47.290   65.800  -1.50  -0.42  -1.02  -0.24 
1 1 1    5    5   22 o   46.282   1.1542   47.000 -168.3000  -7.68   7.77   0.32   3.29 
1 1 1    5    5   23 f   55.613   1.1075   66.508 -168.0000  -8.29  -1.39  -2.90  -1.46 
1 1 1    5    5   24 o   51.633   0.3306   51.492   7.7000   0.93  -0.38   9.71  -0.83 
1 1 1    5    5   25 o   37.761   1.6156   41.902   38.200  18.65  10.28  -2.81  -4.98 
1 1 1    5    5   26 o   11.378   0.3128   14.709 -143.7000   0.04  -0.48   1.45   2.13 
1 1 1    5    5   27 o   15.338   0.9936   9.6597  103.000   2.07   0.21  -0.24  -0.03 
1 1 1    5    5   28 o   23.003   0.2406   20.516  136.400   0.01   0.03  -0.01   0.01 
1 1 1    5    5   29 o   17.123   0.7326   16.060 -87.3000   3.48  -1.52  -0.39   0.50 
1 1 1    5    5   30 o   12.796   1.1643   14.680  118.800  -5.10   8.07   0.65   1.65 
1 1 1    5    5   31 o   20.540   0.2577   23.776  154.300   0.59   0.74  -0.09  -0.34 
1 1 1    5    5   32 o   11.133   0.6556   15.379 -79.8000   0.05  -3.27   0.86   0.23 
1 1 1    5    5   33 o   12.007   0.6563   15.033 -99.2000   4.54  -3.24  -1.16   1.81 
1 1 1    5    5   34 o   7.1340   0.5205   7.4137   81.800   1.32  -0.09  -0.49   0.60 
1 1 1    5    5   35 o   11.652   0.3528   13.403 -15.7000   1.44  -0.54  -0.09   0.18 
1 1 1    5    5   36 o   15.222   0.2970   14.003 -66.4000  -2.35  -1.03  -1.23   0.20 
1 1 1    5    5   37 o   6.6252   0.5777   6.0128   88.800   0.32   0.17  -0.06   0.09 
1 1 1    5    5   38 o   6.0088   0.6049   7.3051 -83.7000  -0.27  -0.33  -0.02  -0.02 
1 1 1    5    5   39 o   9.1703   0.4457   6.6585 -179.2000   0.85  -0.02   0.07  -0.20 
1 1 1    5    5   40 o   7.1622   0.5657   5.7230  112.900   0.04  -0.52  -0.06   0.02 
1 1 1    5    5   41 o   9.3519   0.8330   8.8705   13.600  -0.97  -0.41   0.01  -0.04 
1 1 1    5    5   42 o   1.2489   1.3163   1.8807   53.000  -0.38   0.30  -0.04  -0.05 
1 1 1    5    5   43 o   6.2622   0.7381   3.9124  169.100  -0.21   0.07  -0.00  -0.01 
1 1 1    5    7    0 o   10.649   0.1800   15.076   0.0000   0.06   0.00   0.00   0.00 
1 1 1    5    7    1 o   58.483   0.9448   71.277 -67.9000   0.69  -1.99   0.33   0.16 
1 1 1    5    7    2 o   53.982   1.9736   63.444  105.800  -0.60   7.38   1.55   0.06 
1 1 1    5    7    3 o   59.134   1.6666   51.002   69.100   1.33   0.54  -0.21  -0.54 
1 1 1    5    7    4 o   55.044   1.5188   56.163 -103.6000   1.78  -0.65  -1.21   0.33 
1 1 1    5    7    5 o   38.701   1.7089   40.051  102.400  -3.21   1.26  -1.61   0.97 
1 1 1    5    7    6 o   27.848   2.5406   15.877  112.600   4.10   2.93  -0.27  -1.08 
1 1 1    5    7    7 o   21.231   1.6950   20.022  120.900  -8.17   5.33  -0.76   2.11 
1 1 1    5    7    8 o   31.613   2.8133   32.294  165.700 -12.93   6.71  -2.86   3.32 
1 1 1    5    7    9 o   35.143   1.0190   53.235 -140.1000  -2.29  -1.62  -0.25  -0.43 
1 1 1    5    7   10 o   17.280   2.3197   10.767   14.200 -20.33  -8.22  -6.24  -6.71 
1 1 1    5    7   11 o   9.9073   0.1627   16.685 -162.4000  -0.19   0.41   3.90  -0.79 
1 1 1    5    7   12 o   56.301   0.6884   43.987 -116.9000   5.56  -2.43  -8.00   1.70 
1 1 1    5    7   13 o   57.410   3.0330   38.682 -70.3000  17.62 -20.53   1.63   5.80 
1 1 1    5    7   14 o   16.521   0.1492   8.5610 -71.1000   0.34  -0.34   0.09   0.41 
1 1 1    5    7   15 o   32.464   0.5660   31.165  125.700  -0.80  -0.51  -0.04  -0.07 
1 1 1    5    7   16 o   72.482   2.9259   58.944  -4.6000  14.85   0.47  -4.96  -0.93 
1 1 1    5    7   17 o   38.738   3.0099   42.884  -5.2000  24.19   6.77  -4.70  -3.12 
1 1 1    5    7   18 o  100.587   2.9831  100.425  158.000  -6.52  -2.07  -0.93  -0.97 
1 1 1    5    7   19 o   69.618   1.6965   64.624 -152.0000  -2.74  -2.54   0.42  -1.97 
1 1 1    5    7   20 o   47.825   1.5061   48.673   9.2000  13.44  -9.87  -1.04   4.27 
1 1 1    5    7   21 o   32.901   0.7834   29.788   16.700   9.08   4.52  -1.51  -1.81 
1 1 1    5    7   22 o   7.6295   1.1923   21.405 -78.7000  -1.20  -7.25   1.56  -0.50 
1 1 1    5    7   23 o   38.630   0.9235   44.604   2.6000   8.04   4.87  -1.45  -3.49 
1 1 1    5    7   24 f   26.745   1.0353   26.956 -21.9000   3.76  -1.66  -1.27   1.02 
1 1 1    5    7   25 o   44.959   0.3020   41.087   98.200   1.30   2.46   0.24  -0.73 
1 1 1    5    7   26 o   12.204   0.3593   7.1585 -98.7000   0.20   0.06   0.07  -0.65 
1 1 1    5    7   27 o   33.759   0.8662   23.187  129.000   3.02   8.16   3.69  -2.19 
1 1 1    5    7   28 f   38.355   0.6595   39.118   45.300  -0.79  -0.34  -0.04  -0.09 
1 1 1    5    7   29 f   17.482   0.6944   19.768 -131.4000  -4.97  -3.47  -0.37  -1.57 
1 1 1    5    7   30 o   33.680   1.0077   26.625  146.700  -7.86   1.29  -1.52   0.22 
1 1 1    5    7   31 o   16.195   0.2769   13.087 -126.9000  -0.86  -0.26  -0.87   0.68 
1 1 1    5    7   32 o   14.832   0.4097   18.661  176.100  -2.58   0.08  -0.68   0.28 
1 1 1    5    7   33 o   4.6650   0.7183   10.789  144.800   0.19   0.21  -0.03  -0.06 
1 1 1    5    7   34 o   6.2060   0.5997   4.3724 -47.0000   2.50  -0.05  -1.06   0.67 
1 1 1    5    7   35 o   8.7859   0.4708   5.3671 -22.8000  -0.30   0.08  -0.00   0.02 
1 1 1    5    7   36 o   16.393   0.5773   19.359 -70.5000   5.12  -4.80  -1.25   1.90 
1 1 1    5    7   37 o   3.7618   1.5953   2.1720   38.900  -0.06   0.77   0.05   0.04 
1 1 1    5    7   38 o   2.9539   1.0221   3.7853 -128.1000   0.54  -0.49  -0.11   0.06 
1 1 1    5    7   39 o   3.4714   1.0220   3.2120 -126.7000  -0.17   0.21  -0.01   0.01 
1 1 1    5    7   40 o   5.7804   0.7094   5.9129   61.500   0.93  -0.05   0.03   0.10 
1 1 1    5    7   41 o   1.2724   1.2962   1.7653 -46.0000   0.14  -0.18  -0.01  -0.01 
1 1 1    5    7   42 o   3.7009   1.0122   2.5075  121.100  -0.31   0.21  -0.02   0.00 
1 1 1    5    7   43 o   7.7287   0.7588   1.9330  118.200  -0.16  -0.36  -0.01   0.01 
1 1 1    5    9    0 o   24.212   0.1824   31.640  180.000  -0.00   0.00   0.00   0.00 
1 1 1    5    9    1 o   32.651   0.6577   27.327   72.900  -0.30   0.23  -0.06   0.06 
1 1 1    5    9    2 o   54.805   2.2674   57.165 -88.8000  17.70  -8.22  -9.00   7.04 
1 1 1    5    9    3 o   33.332   0.2280   29.105 -134.6000  -0.39  -0.31  -0.05  -0.07 
1 1 1    5    9    4 o   33.372   2.2876   27.533 -38.9000  11.58 -10.51  -0.04   3.70 
1 1 1    5    9    5 o   36.221   1.1200   37.658   64.700   6.66  -1.50  -1.81   1.28 
1 1 1    5    9    6 o   51.766   0.4507   52.626   93.900  -2.00   0.07  -0.53   0.31 
1 1 1    5    9    7 f   29.231   2.2126   42.348 -88.1000 -20.81  -7.13  -6.21  -4.08 
1 1 1    5    9    8 o   25.373   1.8377   19.575 -169.8000  -6.73   3.29  -1.32   1.38 
1 1 1    5    9    9 f   66.674   0.3709   71.596  164.500  -2.33   2.87   8.82  -0.01 
1 1 1    5    9   10 o   44.344   1.0010   44.203  155.700  -1.43   0.69  -0.19   0.13 
1 1 1    5    9   11 o   46.875   3.5272   49.655 -48.0000  16.99 -41.31   9.08   8.35 
1 1 1    5    9   12 o   54.436   0.2557   40.522  -2.8000  -0.62  -1.74   1.26  -0.43 
1 1 1    5    9   13 f   10.816   1.9736   10.091 -22.8000  15.17  14.02  -0.61  -6.54 
1 1 1    5    9   14 o   81.922   0.8921   80.983 -133.5000   5.54  -6.08  -0.36   3.22 
1 1 1    5    9   15 o   27.871   1.3896   22.486   17.700   5.88   5.82   0.09  -2.09 
1 1 1    5    9   16 o   37.882   1.7102   44.274   97.000   5.85   7.26   1.33  -4.31 
1 1 1    5    9   17 o   80.123   1.0259   71.317  179.900  -9.50  -0.49  -1.95   0.05 
1 1 1    5    9   18 o   30.299   0.4631   22.489   61.400  -0.41   0.29  -2.03   0.59 
1 1 1    5    9   19 o   47.087   0.2368   39.483 -100.2000  -0.89   0.04  -0.20   0.08 
1 1 1    5    9   20 o   44.434   0.9874   46.379 -29.3000  13.69  -0.16  -3.13   0.27 
1 1 1    5    9   21 f   9.4521   2.5939   19.050   66.300  28.52   3.53  -5.61  -1.37 
1 1 1    5    9   22 o   76.295   0.3514   78.053 -127.0000 -10.08   4.58  -2.58   4.57 
1 1 1    5    9   23 o   29.682   0.3601   31.414   26.400   0.43  -0.96   0.14   1.28 
1 1 1    5    9   24 o   27.587   0.2393   34.240   79.900   0.56   0.36  -2.20   0.42 
1 1 1    5    9   25 o   10.596   0.3864   13.632   39.300  -0.50   1.73   2.46   2.77 
1 1 1    5    9   26 f   23.656   1.3763   21.212   40.500  22.78   1.34  -8.32  -1.52 
1 1 1    5    9   27 o   9.2368   0.5251   8.9006 -118.5000  -3.81   2.06  -0.85   1.52 
1 1 1    5    9   28 o   9.7725   0.3649   13.259 -50.6000   0.04   0.40   0.35  -0.62 
1 1 1    5    9   29 o   29.387   0.2929   23.585   81.000   1.80   0.65  -0.56  -0.16 
1 1 1    5    9   30 o   10.705   0.7227   17.608   25.600   2.17  -6.95   2.21   1.08 
1 1 1    5    9   31 f   12.119   0.3085   13.882 -171.7000  -0.44  -0.50  -0.14  -0.23 
1 1 1    5    9   32 o   20.096   0.2426   24.024  103.300  -0.41   1.59  -1.42  -2.56 
1 1 1    5    9   33 o   0.7278   1.0855   9.8338 -93.5000   0.07  -0.30   0.03   0.04 
1 1 1    5    9   34 o   9.8796   1.0842   11.745 -121.4000  -3.98  -0.71  -0.36  -0.04 
1 1 1    5    9   35 o   8.9653   0.4494   5.2783   55.500   0.42   0.53  -0.22  -0.08 
1 1 1    5    9   36 o   10.430   0.3933   9.6313 -148.5000  -0.87  -0.54  -0.12   0.48 
1 1 1    5    9   37 f   3.1672   0.8695   1.9999   46.500   0.14   0.16   0.01   0.04 
1 1 1    5    9   38 f   3.8079   0.8689   3.2762   97.600   0.05   0.14  -0.01   0.01 
1 1 1    5    9   39 o   2.9547   1.0617   3.6265 -136.9000   0.02  -0.18  -0.00  -0.01 
1 1 1    5    9   40 o   7.1140   0.5479   6.8439 -33.8000   0.46  -0.34   0.05  -0.03 
1 1 1    5    9   41 o   1.7337   1.2136   1.6669 -124.0000  -0.19  -0.17  -0.03   0.01 
1 1 1    5    9   42 o   7.0290   0.7610   1.8642   94.800  -0.10   0.07  -0.00  -0.00 
1 1 1    5   11    0 o   14.188   0.1603   6.7288  180.000  -0.02   0.00   0.00   0.00 
1 1 1    5   11    1 o   22.726   0.3450   5.7209   55.500  -0.33   0.98   0.26   0.40 
1 1 1    5   11    2 f   17.836   0.9995   23.057 -32.4000   3.01  -1.77  -0.59   0.82 
1 1 1    5   11    3 o   22.398   1.4396   21.684 -25.3000   3.52  -5.22   0.60   1.33 
1 1 1    5   11    4 o   49.568   1.1006   40.035 -170.7000  -2.46   1.02  -0.47   0.66 
1 1 1    5   11    5 o   23.687   0.4134   39.435  145.700  -0.26   1.48   3.33   0.23 
1 1 1    5   11    6 o   44.005   1.4312   50.912 -41.4000   2.20 -10.83   5.80   1.82 
1 1 1    5   11    7 o   12.247   1.3707   12.896   10.300  15.18   3.43  -6.12  -3.07 
1 1 1    5   11    8 o   64.223   0.7049   73.423  143.700  -7.94  -5.66  -0.91  -5.19 
1 1 1    5   11    9 o   15.791   1.3263   25.653 -128.2000  -2.97  -3.79   0.18  -0.84 
1 1 1    5   11   10 o   57.236   1.4241   54.291 -73.9000  -2.33  -9.15   3.67  -2.72 
1 1 1    5   11   11 o   52.837   3.6424   48.752   15.800  50.12   7.16 -13.76  -3.39 
1 1 1    5   11   12 o   60.118   1.8403   57.713   57.300  -5.37  14.98   9.55   6.02 
1 1 1    5   11   13 o   74.628   0.3287   83.560 -132.8000   3.72  -1.84  -1.08   0.90 
1 1 1    5   11   14 o   35.628   1.5672   21.404  123.200  -2.49  11.19   2.75   1.47 
1 1 1    5   11   15 o   26.326   0.4994   21.945   45.400   2.77  -1.32  -1.24   2.02 
1 1 1    5   11   16 o   18.555   0.8844   10.909  127.000  -2.28  -0.79  -0.43  -0.38 
1 1 1    5   11   17 o   15.324   2.5468   33.325 -47.6000  60.37  -8.06 -16.20   4.23 
1 1 1    5   11   18 o   37.431   1.0060   31.101 -45.9000  11.93   4.69  -4.16  -4.51 
1 1 1    5   11   19 o   55.257   0.3608   45.523   80.900   0.96   1.07  -0.05  -0.33 
1 1 1    5   11   20 o   25.645   1.6232   24.702  166.300  -8.00   3.23  -1.51   1.25 
1 1 1    5   11   21 o   14.440   0.2273   9.3716 -53.1000   0.12   0.01  -0.06   0.35 
1 1 1    5   11   22 o   58.053   1.2072   63.537 -119.3000  -0.48  -5.00   1.47   0.14 
1 1 1    5   11   23 o   49.827   1.3972   57.014  134.000 -12.55   2.21  -2.60   0.57 
1 1 1    5   11   24 o   16.336   0.2990   19.634   18.300  -0.20   0.94   0.41   0.34 
1 1 1    5   11   25 f   55.834   0.2836   36.704 -149.4000  -0.89   0.09   0.27   0.96 
1 1 1    5   11   26 o   10.848   0.3463   9.9171  108.000  -3.75   2.18  -1.32   3.78 
1 1 1    5   11   27 o   33.585   0.2391   35.370 -39.7000   0.72   0.10  -0.04  -0.54 
1 1 1    5   11   28 o   2.2404   0.9030   4.3538  101.300   0.03   0.12   0.28   0.30 
1 1 1    5   11   29 o   19.622   0.2332   10.552   38.300   2.19   1.20  -0.12  -0.67 
1 1 1    5   11   30 o   7.3240   0.4525   2.1291 -164.0000  -0.60   0.46  -0.24   0.24 
1 1 1    5   11   31 o   13.061   0.3015   14.238  154.000  -0.30   0.95   0.23  -1.50 
1 1 1    5   11   32 o   13.350   0.3032   17.128   46.100  -0.08  -0.63   0.12   0.13 
1 1 1    5   11   33 o   19.416   0.5102   18.172 -17.8000   8.65   0.74  -2.15  -1.56 
1 1 1    5   11   34 o   9.8878   0.3811   10.720 -145.4000   0.48   0.07  -0.04   0.02 
1 1 1    5   11   35 o   6.5756   0.6838   5.1043  127.200  -3.33   1.50  -1.20   0.15 
1 1 1    5   11   36 o   4.2509   0.7644   2.0327 -130.2000  -0.59  -0.06  -0.04   0.10 
1 1 1    5   11   37 o   6.8192   0.5101   3.6656  172.000   0.02  -0.37  -0.04  -0.02 
1 1 1    5   11   38 o   3.1873   0.9592   5.3481   71.000  -0.21  -0.07  -0.00   0.01 
1 1 1    5   11   39 o   0.8891   1.2199   2.0604 -66.3000  -0.06  -0.32   0.01   0.03 
1 1 1    5   11   40 o   4.6704   0.7183   2.3910 -69.3000   0.19   0.58   0.02   0.12 
1 1 1    5   11   41 o   6.7163   0.7526   4.1922  135.600   0.01  -0.58  -0.02  -0.04 
1 1 1    5   13    0 o  131.650   1.2102  115.055  -0.0000  -0.15   0.00   0.00   0.00 
1 1 1    5   13    1 o  111.322   1.7435  115.581  -7.5000   7.62  -1.00  -3.13   2.29 
1 1 1    5   13    2 o  150.816   2.2958  147.324  122.300  -0.43  -0.91   0.00   0.00 
1 1 1    5   13    3 o   85.972   2.8961   83.957  158.200 -20.90  14.70  -2.04   8.66 
1 1 1    5   13    5 o   48.470   1.3028   43.435 -123.1000   1.93  -4.71   2.16   1.56 
1 1 1    5   13    6 o  163.426   1.8516  153.027   21.400   0.63   1.33   0.00   0.00 
1 1 1    5   13    7 o   19.127   0.6596   25.134   87.900  -2.95   2.73   0.04   3.61 
1 1 1    5   13    8 o  148.958   1.9023  149.478  158.100   3.13   0.82  -0.18  -0.21 
1 1 1    5   13    9 o   43.963   0.3322   26.932 -35.2000   0.24  -0.69   1.21  -0.00 
1 1 1    5   13   10 o   82.876   1.3560   80.736 -107.8000  -0.13  -4.95   0.75   0.08 
1 1 1    5   13   11 f   39.767   0.8164   36.970   63.100   3.49   0.70  -2.24  -0.51 
1 1 1    5   13   12 o   34.847   1.3240   34.323   54.900   7.82  -0.86  -2.10   0.32 
1 1 1    5   13   13 o   39.570   0.6009   32.025 -94.3000   0.82  -3.68   1.41   0.46 
1 1 1    5   13   14 o   73.594   0.3720   87.907   88.000   6.25   1.84  -8.16  -1.66 
1 1 1    5   13   15 o   41.931   1.8563   33.968   99.400  12.56  34.10   7.33  -6.76 
1 1 1    5   13   16 o   71.917   0.3412   67.710 -63.9000   0.38  -0.54  -1.77  -1.09 
1 1 1    5   13   17 o   61.226   0.4443   61.300 -98.6000  -4.83  -3.17  -5.61  -4.04 
1 1 1    5   13   18 o   36.226   0.3958   32.333   39.200   1.21  -0.34  -0.32   0.43 
1 1 1    5   13   19 o   13.006   0.2635   23.747   78.900   0.02   0.10  -0.32   0.49 
1 1 1    5   13   20 o   31.233   1.2164   32.955 -131.7000  -6.42  -2.79  -1.44  -1.21 
1 1 1    5   13   21 o   4.1182   0.6193   7.3959 -61.6000   0.44   0.04  -0.59   0.04 
1 1 1    5   13   22 o   32.128   1.5694   35.318 -158.5000 -18.82  -9.66  -2.23  -3.56 
1 1 1    5   13   23 o   34.727   0.6065   20.842   41.800   2.60  -1.38  -0.39   0.39 
1 1 1    5   13   24 o   9.2455   0.4330   8.8087 -144.5000   1.58  -1.87   0.03   1.01 
1 1 1    5   13   25 o   28.816   0.8923   26.190   56.400  14.08   1.69  -3.83  -0.42 
1 1 1    5   13   26 o   16.202   0.2427   13.083 -60.7000  -0.02   0.93   0.44   0.52 
1 1 1    5   13   27 o   15.391   0.7293   24.626 -134.1000  -5.56  -2.34  -1.36  -0.93 
1 1 1    5   13   28 o   6.3543   0.7195   10.470  101.900  -2.24   0.22  -0.41   0.15 
1 1 1    5   13   29 o   23.007   0.2412   22.963 -164.2000  -3.69   2.65   0.91   2.24 
1 1 1    5   13   30 o   15.132   0.2582   16.594   88.200   0.53   1.00  -1.77   1.30 
1 1 1    5   13   31 o   8.1900   0.3855   9.2499   21.400   0.62   0.24   0.82  -0.06 
1 1 1    5   13   32 o   5.9531   0.5499   10.163 -16.7000  -0.01  -0.23  -0.09  -0.03 
1 1 1    5   13   33 f   9.7936   0.3477   7.0423 -34.9000   0.07   0.71  -0.26  -0.21 
1 1 1    5   13   34 o   13.180   0.3128   10.689 -151.4000  -0.37   0.24   0.05  -0.06 
1 1 1    5   13   35 o   1.6589   1.1494   0.1890   85.100  -0.74   0.49  -0.09   0.07 
1 1 1    5   13   36 o   5.6548   0.6424   7.9899 -138.1000   0.13  -0.97  -0.15   0.16 
1 1 1    5   13   37 o   3.0083   0.8319   3.9370 -153.5000  -0.23  -0.40  -0.05   0.09 
1 1 1    5   13   38 o   5.0385   0.7260   7.0929   22.900  -0.57   0.71  -0.11  -0.00 
1 1 1    5   13   39 o   7.3459   0.5392   6.2619 -17.1000   0.01   0.28   0.00   0.01 
1 1 1    5   15    1 o   23.432   0.1512   8.5329   85.600   0.20   0.12  -1.48   0.30 
1 1 1    5   15    2 o   36.723   2.7176   33.180   98.100  -5.52  17.98   2.95   1.85 
1 1 1    5   15    3 o   17.950   0.2921   25.584  -7.9000  -0.78   0.18  -0.63   0.47 
1 1 1    5   15    4 o   85.083   2.1588   74.401 -150.3000   3.57 -12.24   4.46   1.92 
1 1 1    5   15    5 o   25.893   0.8295   30.115  160.500  -1.06   5.92   2.36   0.71 
1 1 1    5   15    6 o   40.261   0.6105   39.294  168.600  -6.46  -7.94   1.57  -5.17 
1 1 1    5   15    7 o   69.497   0.3011   81.461 -68.7000   5.06   0.94  -5.55  -5.35 
1 1 1    5   15    8 o   30.252   0.9907   37.884 -19.1000   6.35   3.77  -0.69  -1.42 
1 1 1    5   15    9 o   57.330   0.4257   65.100   85.300  -3.06   1.32  -6.53   2.29 
1 1 1    5   15   10 o   6.4445   0.6060   14.016 -92.7000  -6.33  -0.48  -2.98  -0.40 
1 1 1    5   15   11 o   51.256   1.1871   48.221  125.500  -1.96   6.21   1.63   1.48 
1 1 1    5   15   12 o   23.428   0.8735   29.850 -174.8000  -3.96  -1.13  -0.77  -0.54 
1 1 1    5   15   13 f   9.7414   0.2150   6.8666 -138.4000  -0.27   1.18   1.77   0.45 
1 1 1    5   15   14 o   67.062   0.3104   70.456   56.700   0.48   1.95   0.30  -0.40 
1 1 1    5   15   15 o   51.770   1.0020   41.123 -37.2000   1.53   0.43  -0.17  -0.20 
1 1 1    5   15   16 o   8.3422   0.4396   12.029 -133.6000  -1.16   1.75   0.45   1.45 
1 1 1    5   15   17 f   41.633   1.1365   48.927 -125.2000  -8.27  -3.41  -0.97  -1.21 
1 1 1    5   15   18 o   40.522   0.4812   39.503  120.100  -2.24   1.27  -0.22   1.63 
1 1 1    5   15   19 o   23.673   0.9606   17.481  112.300 -14.77  -3.26  -7.63  -2.72 
1 1 1    5   15   20 o   24.490   0.1907   25.504 -86.0000  -0.14  -0.49   0.01  -0.97 
1 1 1    5   15   21 o   33.924   0.4027   27.023   47.300   6.55  -1.10  -5.39   5.00 
1 1 1    5   15   22 o   29.600   0.2051   37.030 -134.4000  -0.21  -0.79   0.61   0.28 
1 1 1    5   15   23 o   4.0245   1.3093   0.9309 -132.2000   2.17  -0.94  -0.22   0.22 
1 1 1    5   15   24 f   3.3955   0.8850   5.5319   16.500  -1.13   0.72  -0.15   0.24 
1 1 1    5   15   25 o   13.327   0.5726   13.145 -48.6000   7.12   1.02  -4.68  -0.20 
1 1 1    5   15   26 o   10.920   0.4285   16.777 -118.5000   0.35  -1.82   0.22   0.18 
1 1 1    5   15   27 o   8.8264   1.3838   9.6385 -140.4000 -16.95   5.38  -3.49   3.13 
1 1 1    5   15   28 o   21.159   0.2211   18.637   25.900  -0.23  -0.02   0.06   0.01 
1 1 1    5   15   29 o   16.918   0.2740   11.396  139.900   0.17   1.38   0.35   0.50 
1 1 1    5   15   30 o   13.996   0.4191   14.175   45.100   1.36   5.47   2.52   0.15 
1 1 1    5   15   31 o   5.7912   0.5136   4.3227  -1.6000   0.11  -0.04  -0.00  -0.00 
1 1 1    5   15   32 f   12.989   0.3064   12.036  166.600  -1.63   2.73   2.34  -0.89 
1 1 1    5   15   33 o   6.6718   0.5143   8.8255   23.900   0.31   0.29  -0.04   0.05 
1 1 1    5   15   34 o   5.0197   1.2674   5.2761 -70.0000  -1.50  -2.19  -0.04  -0.32 
1 1 1    5   15   35 o   5.2057   0.6322   6.0206 -139.1000   0.71   0.19  -0.05   0.04 
1 1 1    5   15   36 o   6.9525   0.5364   7.9619 -179.0000  -0.30   0.60   0.03  -0.06 
1 1 1    5   15   37 o   6.2010   0.6905   3.0181 -78.0000  -0.01  -0.50   0.01   0.01 
1 1 1    5   15   38 o   7.1640   1.0402   3.1739  -2.6000   0.23   0.41  -0.00   0.02 
1 1 1    5   17    0 o   72.651   0.4405   63.303   0.0000   0.08   0.00   0.00   0.00 
1 1 1    5   17    1 o   67.738   2.1758   53.297 -118.5000 -10.01 -10.61   0.77  -3.50 
1 1 1    5   17    2 o   28.538   1.3070   33.331   67.800   5.75  -0.42  -1.29   0.32 
1 1 1    5   17    3 o   60.870   0.4265   52.341  150.600  -1.82  -1.72  -1.19  -1.52 
1 1 1    5   17    4 o   73.079   0.3444   63.834 -163.4000  -0.42  -0.98   0.51   0.06 
1 1 1    5   17    5 o   38.131   0.5599   38.834   92.700  -1.37   3.27   1.49   0.90 
1 1 1    5   17    6 o   38.276   0.2637   37.317   8.4000   0.36  -1.69   1.28  -0.03 
1 1 1    5   17    7 o   5.8118   2.4852   18.896 -11.4000  -0.06  -5.79   0.58  -0.02 
1 1 1    5   17    8 o   9.7222   1.3916   8.0536   84.000   0.13   6.49   1.28  -0.09 
1 1 1    5   17    9 o   37.059   0.5996   34.914 -40.3000   1.48  -0.15  -0.17   0.07 
1 1 1    5   17   10 o   31.892   0.9916   16.856 -96.3000  -6.80  -3.46  -1.66  -1.79 
1 1 1    5   17   11 o   11.959   1.0312   11.411 -61.2000   3.80  -1.87  -0.46   0.65 
1 1 1    5   17   12 o   27.183   0.8407   28.569 -172.5000  -7.21  -3.90  -1.27  -2.45 
1 1 1    5   17   13 o   35.074   1.2445   29.610   15.400  12.98  -5.60  -4.06   3.46 
1 1 1    5   17   14 o   53.747   0.6815   52.568   15.900   1.84   3.33   2.69  -1.38 
1 1 1    5   17   15 o   11.316   0.7874   11.523  108.100 -10.40  -0.89  -4.21  -0.92 
1 1 1    5   17   16 f   15.992   1.6962   23.194 -178.8000 -33.39 -18.64  -5.62  -9.72 
1 1 1    5   17   17 f   53.024   1.1660   45.484  165.500 -14.72   5.67  -2.44   3.42 
1 1 1    5   17   18 o   32.150   1.1884   29.405  126.200 -24.59  -0.80 -10.03   0.59 
1 1 1    5   17   19 o   1.5993   0.7939   1.5780   6.9000   0.02   0.07   0.16   0.50 
1 1 1    5   17   20 o   14.044   0.6326   12.666   98.700  -2.70   4.88   0.51   1.18 
1 1 1    5   17   21 o   8.9783   0.3042   9.1461 -89.1000  -0.61  -0.49  -0.18  -0.26 
1 1 1    5   17   22 o   42.112   0.4640   40.148 -131.2000   2.61  -4.13  -0.01   0.82 
1 1 1    5   17   23 o   15.802   0.4589   16.272  -5.0000   1.51  -0.01  -0.21   0.09 
1 1 1    5   17   24 f   18.699   0.5034   14.613 -51.6000   3.24  -0.69  -0.38   0.36 
1 1 1    5   17   25 o   7.6048   0.3325   3.7302  175.600   0.12   0.57  -0.10  -0.70 
1 1 1    5   17   26 o   3.9891   0.6413   3.8339 -94.3000  -0.03  -0.07   0.00   0.00 
1 1 1    5   17   27 o   9.4355   0.5664   7.1791  154.300  -2.68   0.46  -0.25   0.17 
1 1 1    5   17   28 o   7.0619   0.3975   9.4370   35.600   0.48   0.53  -0.48   0.47 
1 1 1    5   17   29 o   4.5022   0.5835   4.9500 -46.7000   0.57  -0.32  -0.25  -0.09 
1 1 1    5   17   30 o   1.0190   1.0624   4.9067   15.600   0.50  -0.55  -0.11   0.17 
1 1 1    5   17   31 o   1.0509   1.0831   1.1724   60.000   0.02   0.26  -0.05  -0.05 
1 1 1    5   17   32 o   5.7861   0.4994   7.5020  126.400   0.11   0.13   0.01   0.01 
1 1 1    5   17   33 o   5.1175   0.6011   7.7351 -33.4000   0.82  -0.84   0.21   0.04 
1 1 1    5   17   34 f   3.6493   0.9541   5.3852 -127.9000  -0.35  -0.35  -0.03  -0.01 
1 1 1    5   17   35 o   4.8819   0.6500   0.8830 -130.1000  -1.00   0.02  -0.08  -0.11 
1 1 1    5   17   36 o   8.8989   1.1747   3.7607   93.000   0.43   0.77  -0.03  -0.00 
1 1 1    5   19    0 o   11.402   0.2025   22.463   0.0000  -0.03   0.00   0.00   0.00 
1 1 1    5   19    1 o   20.214   0.1429   17.482 -173.8000   0.81  -0.33  -0.38   1.04 
1 1 1    5   19    2 o   45.276   0.7800   44.898   62.600  -3.48   3.09  -1.03   2.33 
1 1 1    5   19    3 o   54.938   1.1852   50.889 -138.1000   2.25  -8.11   3.12   3.31 
1 1 1    5   19    4 f   66.806   0.2885   53.529  117.200   1.10   1.55  -0.00  -0.24 
1 1 1    5   19    5 o   58.536   1.8221   49.278  100.600   5.06   9.14   1.77  -1.92 
1 1 1    5   19    6 o   28.493   0.1714   31.485  123.200   0.85  -0.04  -0.31   0.15 
1 1 1    5   19    7 o   16.406   0.7735   16.410 -132.0000  -4.12  -4.82   0.51  -2.21 
1 1 1    5   19    8 o   78.709   0.9932   84.373 -99.4000   3.62  -5.61  -1.69   6.15 
1 1 1    5   19    9 o   37.619   0.1924   41.843 -20.0000   0.55  -0.01   2.17  -0.02 
1 1 1    5   19   10 f   20.667   0.7530   8.9473 -148.0000   3.65 -13.43   4.65   2.20 
1 1 1    5   19   11 o   10.446   0.8150   11.524   11.600   5.09   4.59  -0.16  -1.10 
1 1 1    5   19   12 o   39.520   0.2081   36.466   47.800  -0.21   0.25   0.03  -0.32 
1 1 1    5   19   13 o   14.620   1.0701   15.173  -8.9000  17.45   4.52  -4.23  -2.63 
1 1 1    5   19   14 o   29.555   0.8387   26.135 -23.6000   6.11  -2.62  -0.60   0.82 
1 1 1    5   19   15 o   4.9647   0.9071   8.5458  117.000  -5.28  -5.16   0.09  -2.37 
1 1 1    5   19   16 o   12.490   0.8362   10.068 -173.1000  -3.75   1.55  -0.36   0.45 
1 1 1    5   19   17 o   6.6392   0.3673   6.9622 -166.9000  -0.91  -1.29   0.09  -0.82 
1 1 1    5   19   18 o   19.351   0.9321   18.904  140.900 -14.08  -4.06  -1.98  -1.58 
1 1 1    5   19   19 f   13.350   0.2026   9.0087  118.300  -0.82   0.41  -0.83  -0.11 
1 1 1    5   19   20 o   9.9495   0.7087   8.4730 -101.4000 -10.05  -1.52  -5.20  -0.59 
1 1 1    5   19   21 o   13.827   0.3980   15.774 -133.2000  -1.89  -1.03  -0.82  -0.43 
1 1 1    5   19   22 o   5.8572   0.4123   2.5617  166.000   0.39   0.23  -0.33   0.04 
1 1 1    5   19   23 o   9.7113   0.2632   11.805   59.400   0.53   0.04  -0.14   0.23 
1 1 1    5   19   24 o   5.6197   0.9205   3.1515 -31.9000  -2.70  -2.52  -0.11  -0.45 
1 1 1    5   19   25 o   2.2855   1.0780   3.5840 -117.2000  -0.11  -0.19   0.01  -0.01 
1 1 1    5   19   26 o   4.4914   0.7770   8.0287  117.000  -3.63   0.60  -1.15  -0.08 
1 1 1    5   19   27 o   4.0756   0.7290   0.5103   60.100  -0.09   0.59   0.03  -0.00 
1 1 1    5   19   28 o   4.5282   0.5657   2.4854 -61.7000   0.24  -0.82  -0.09   0.24 
1 1 1    5   19   29 o   6.1059   0.4846   3.9369 -59.7000   0.77  -1.27  -0.19   0.30 
1 1 1    5   19   30 o   5.3578   0.5372   3.8127   36.700   0.25  -0.15   0.03  -0.02 
1 1 1    5   19   31 o   4.1634   0.6204   2.2102  125.400   0.48   0.83   0.13   0.37 
1 1 1    5   19   32 o   6.6456   0.4594   5.4262 -157.7000  -0.04  -0.47  -0.02   0.09 
1 1 1    5   19   33 o   9.2370   0.4801   5.7022 -58.4000  -0.49  -0.63   0.08   0.03 
1 1 1    5   21    0 o   28.141   0.2186   26.757  -0.0000   0.67   0.00   0.00   0.00 
1 1 1    5   21    1 o   18.627   0.6077   19.774   41.700   0.48   1.51   0.17  -0.09 
1 1 1    5   21    2 o   30.359   0.3984   33.882  108.500  14.39  13.00  -2.93 -11.49 
1 1 1    5   21    3 f   32.272   0.2277   39.319 -129.2000  -0.95   0.77   0.11   0.38 
1 1 1    5   21    4 f   26.794   1.0441   26.088   77.000   3.50   6.78   1.76  -1.79 
1 1 1    5   21    5 o   4.6371   0.3852   5.1204  102.700   1.35   0.18  -0.30  -0.05 
1 1 1    5   21    6 o   21.437   1.1927   28.235 -144.8000  -0.86 -10.63   2.94   0.00 
1 1 1    5   21    7 o   4.7764   0.5979   7.0596 -14.8000   1.52   0.15  -0.24  -0.07 
1 1 1    5   21    8 o   21.761   0.4568   20.611 -103.7000  -5.83  -2.90  -1.41  -1.20 
1 1 1    5   21    9 o   11.611   0.4345   28.411   78.400  -2.24   1.71  -1.14   1.80 
1 1 1    5   21   10 o   20.805   0.1822   14.095  173.600   0.42   0.32  -0.16  -0.08 
1 1 1    5   21   11 o   5.1131   0.2275   10.599 -66.0000   0.82  -0.83  -0.63   1.83 
1 1 1    5   21   12 o   20.612   0.1445   16.147 -20.0000   1.65  -1.90   0.55   0.88 
1 1 1    5   21   13 o   5.4718   0.2569   8.7249 -146.7000   0.11  -0.00  -0.02   0.10 
1 1 1    5   21   14 o   3.4170   0.3710   6.0993 -31.7000  -0.05  -0.02  -0.03   0.04 
1 1 1    5   21   15 o   15.287   0.3414   23.150 -22.4000   1.19  -0.11  -0.78  -0.96 
1 1 1    5   21   16 o   7.9267   0.2164   7.4647   40.700   0.62  -0.00  -0.34   0.32 
1 1 1    5   21   17 o   11.840   1.0499   9.7910  171.700 -21.50  -4.69  -3.96  -2.35 
1 1 1    5   21   18 o   8.3647   0.7124   6.1674  115.500  -1.44   8.04   2.38   0.44 
1 1 1    5   21   19 o   4.9017   0.3694   3.8045  108.300   1.26  -0.45  -0.94   0.14 
1 1 1    5   21   20 o   11.564   0.3318   12.472 -108.0000  -1.02  -2.33   0.16  -1.66 
1 1 1    5   21   21 o   6.8422   0.3140   2.1896 -113.7000  -0.65   1.04  -0.60   0.81 
1 1 1    5   21   22 o   3.0386   0.6909   2.7266  113.600  -0.67  -0.02  -0.05  -0.02 
1 1 1    5   21   23 o   8.5640   0.3049   7.8996 -130.5000  -2.33  -0.75  -1.22   0.17 
1 1 1    5   21   24 o   6.4457   0.3619   8.2777   1.6000   1.38  -0.02  -0.26  -0.42 
1 1 1    5   21   25 o   4.7972   0.4950   7.1685   51.800   0.26   0.66  -0.30  -0.14 
1 1 1    5   21   26 o   7.1333   0.3705   6.6787  113.600  -0.18   1.39  -1.19   0.16 
1 1 1    5   21   27 o   4.8812   0.5190   4.5560  -8.9000  -1.21  -0.59  -0.32   0.07 
1 1 1    5   21   28 o   5.8477   0.8959   4.3976  116.900  -1.48   1.49   0.07   0.13 
1 1 1    5   21   29 o   9.5563   0.3280   9.2317   85.000   2.44   0.12  -0.35   0.29 
1 1 1    5   21   30 o   6.0306   1.3887   1.1149   21.400   0.79   0.47   0.01  -0.04 
1 1 1    5   23    0 o   3.1781   0.3394   0.5505  -0.0000   0.09   0.00   0.00   0.00 
1 1 1    5   23    1 o   8.2480   0.6513   10.757 -160.6000   2.16 -11.54   3.49   1.76 
1 1 1    5   23    2 f   5.2982   0.2431   6.0598 -173.6000   0.38   0.38  -0.61  -0.65 
1 1 1    5   23    3 o   17.607   0.2272   20.434 -13.9000   1.11   1.27   2.14  -0.67 
1 1 1    5   23    4 o   4.2407   0.3258   5.2456   46.500  -0.35  -0.02  -0.24  -0.24 
1 1 1    5   23    5 o   9.1716   0.4961   10.545  105.900   4.12   4.23  -0.13  -1.31 
1 1 1    5   23    6 o   5.5059   0.2739   11.675 -114.9000  -1.00  -0.21  -1.21   0.14 
1 1 1    5   23    7 o   2.0881   0.5885   4.5967   48.300  -0.11   0.66   0.31   0.23 
1 1 1    5   23    8 o   5.6737   0.6644   6.5424  153.800   1.02   4.18   0.58  -0.38 
1 1 1    5   23    9 o   13.992   0.1729   12.950 -177.3000  -2.39   6.39   3.33   1.34 
1 1 1    5   23   10 o   7.8705   0.2527   8.9143 -38.9000  -1.45  -2.82   0.49  -1.80 
1 1 1    5   23   11 o   11.845   0.5572   9.8946 -30.4000   2.13   2.84   0.96  -1.20 
1 1 1    5   23   12 f   13.217   0.4985   10.142  140.200  -2.82   1.05  -4.40  -0.89 
1 1 1    5   23   13 o   5.9759   0.4959   6.6953  136.400  -0.40   4.32   0.41   0.04 
1 1 1    5   23   14 o   5.7297   0.7157   9.5582 -10.6000   9.17   3.20  -2.49  -2.47 
1 1 1    5   23   15 o   7.5751   0.1940   3.2105   41.400   1.11  -1.98   0.42   0.36 
1 1 1    5   23   16 o   10.202   0.3061   8.8542  110.700   8.46   6.05  -1.43  -2.40 
1 1 1    5   23   17 o   13.975   0.2521   10.313 -116.4000  -0.03  -0.50   0.00   0.17 
1 1 1    5   23   18 f   5.1032   0.3618   6.4585  170.900   1.42  -1.25  -0.30   0.48 
1 1 1    5   23   19 o   6.2914   0.2894   4.5443  140.800  -0.08   0.52  -0.40   0.14 
1 1 1    5   23   20 o   9.3879   0.2265   5.3272 -73.4000  -0.82   1.76  -0.11   0.62 
1 1 1    5   23   21 o   3.8588   0.4885   3.7426   3.1000  -0.05  -0.47   0.05   0.03 
1 1 1    5   23   22 o   9.2240   0.2612   12.340 -127.2000  -1.33  -0.65  -0.43   0.66 
1 1 1    5   23   23 o   3.9175   0.5090   7.4017 -12.9000  -0.05  -0.26  -0.07  -0.01 
1 1 1    5   23   24 o   11.895   0.5161   6.3927   6.6000   3.79  -1.72   0.13   0.92 
1 1 1    5   23   25 o   3.9192   0.6799   1.0494  132.800   0.30   0.43   0.02  -0.02 
1 1 1    5   23   26 o   6.6740   0.9708   6.0650 -30.6000   0.21  -0.17  -0.00   0.00 
1 1 1    5   25    0 o   3.6194   0.2453   13.666  180.000  -0.01   0.00   0.00   0.00 
1 1 1    5   25    1 o   2.7589   0.3543   4.4572 -54.0000  -0.06  -0.28  -0.59  -0.60 
1 1 1    5   25    2 o   8.7500   0.4394   8.8011 -80.2000   3.07  -2.35   0.02   1.10 
1 1 1    5   25    3 o   2.7343   0.4262   5.7650  100.600   1.30   0.12  -0.58   0.10 
1 1 1    5   25    4 o   6.1819   0.4256   5.6832 -112.5000   0.92  -4.46   0.72   0.47 
1 1 1    5   25    5 o   3.2075   0.4020   7.0701   17.900   0.14  -0.28   0.13   0.02 
1 1 1    5   25    6 o   11.126   0.4101   11.144 -58.2000   0.55  -2.43   0.44   0.03 
1 1 1    5   25    7 o   6.0460   0.2691   10.995  178.400   0.68   1.25  -0.05  -0.83 
1 1 1    5   25    8 o   3.0625   0.4491   2.6338  179.900  -0.73   1.01   0.61   0.52 
1 1 1    5   25    9 f   4.1467   0.5861   6.6586 -95.6000   2.91   0.28  -0.59  -0.27 
1 1 1    5   25   10 o   7.0662   0.2718   11.683   18.400   1.56  -1.99   2.88   1.37 
1 1 1    5   25   11 o   2.3856   0.6091   1.7256   34.900   0.49   1.24   0.12  -0.24 
1 1 1    5   25   12 o   5.7012   0.3079   6.0608  139.100  -0.71   0.47   1.09  -0.20 
1 1 1    5   25   13 o   4.1163   0.7713   7.1187 -22.6000   1.48   1.07   0.03  -0.31 
1 1 1    5   25   14 o   9.2417   0.2519   9.6410  105.500   0.72  -0.05   0.45  -0.03 
1 1 1    5   25   15 f   3.9927   0.5659   6.2657   49.000  -1.63   0.49  -0.18   0.05 
1 1 1    5   25   16 o   2.4858   0.3841   3.9703 -107.4000  -0.41  -0.01  -0.03   0.01 
1 1 1    5   25   17 o   1.1813   0.6598   5.4980 -179.3000  -0.24  -0.28  -0.02  -0.05 
1 1 1    5   25   18 o   4.0055   0.3226   5.5856  141.500  -0.13   0.30   0.06  -0.14 
1 1 1    5   25   19 o   2.7831   0.4929   5.7611   91.900   0.08   0.44  -0.19  -0.19 
1 1 1    5   25   20 o   10.457   0.2229   9.4873 -110.8000   0.19  -0.38  -0.11  -0.04 
1 1 1    5   25   21 o   5.0252   0.3993   3.1836 -96.4000  -0.06  -0.42  -0.19   0.16 
1 1 1    5   25   22 o   8.0497   0.7432   3.3115 -49.6000   0.26   0.35  -0.03   0.00 
1 1 1    5   27    0 f   5.0100   0.5135   13.500   0.0000   0.36   0.00   0.00   0.00 
1 1 1    5   27    1 o   3.5195   0.2632   3.5107 -27.7000   0.04  -1.12   0.57  -0.49 
1 1 1    5   27    2 o   7.0375   0.4320   14.955  145.900  -0.54   2.73   0.82  -0.12 
1 1 1    5   27    3 o   4.9971   0.2681   5.6993  158.400  -0.10  -0.30   0.06   0.03 
1 1 1    5   27    4 o   2.7238   0.4265   4.7643 -26.6000   0.58   0.43   0.03  -0.13 
1 1 1    5   27    5 o   2.2264   0.4988   1.4667   28.600  -0.20   0.52  -0.17   0.39 
1 1 1    5   27    6 o   5.7698   0.4047   7.0516 -115.5000  -1.08  -0.58  -0.01  -0.13 
1 1 1    5   27    7 o   4.8980   0.3137   4.1944  157.600  -0.00  -0.78   0.13   0.25 
1 1 1    5   27    8 o   8.6132   0.2151   6.8861 -62.3000  -0.05  -0.76   0.04  -0.14 
1 1 1    5   27    9 o   2.5399   0.5275   2.8088   8.0000   0.01   0.03  -0.00  -0.00 
1 1 1    5   27   10 f   4.6954   0.3621   5.7414   89.600  -0.23   0.17  -0.04  -0.09 
1 1 1    5   27   11 o   4.3492   0.6323   4.8551 -82.3000   1.25  -0.98  -0.14   0.20 
1 1 1    5   27   12 o   1.2017   0.8129   1.2375 -152.1000   0.14   0.01  -0.01  -0.02 
1 1 1    5   27   13 f   3.0880   0.5555   1.3104 -28.9000   0.13   0.22  -0.11   0.14 
1 1 1    5   27   14 o   4.7505   0.4399   4.3567   62.700  -0.25   0.09  -0.04  -0.04 
1 1 1    5   27   15 f   7.4582   0.4476   6.8228 -27.6000  -0.10  -0.44  -0.03  -0.06 
1 1 1    6    0    0 o   70.723   0.5855   62.322 -180.0000  -0.14   0.00   0.00   0.00 
1 1 1    6    0    1 o   36.818   0.2428   33.138   90.000   0.00   0.19   0.00   0.00 
1 1 1    6    0    2 o   9.9750   0.1335   8.2675   0.0000   0.01   0.00   0.00   0.00 
1 1 1    6    0    3 o   6.4498   0.1736   2.1395   90.000  -0.00  -0.02   0.00   0.00 
1 1 1    6    0    4 o   35.994   0.2387   14.296   0.0000   0.22   0.00   0.00   0.00 
1 1 1    6    0    5 o   9.5864   0.1489   8.2841   90.000  -0.00  -0.05   0.00   0.00 
1 1 1    6    0    6 f   66.258   0.3961   58.887 -180.0000  -0.40   0.00   0.00   0.00 
1 1 1    6    0    7 o   53.357   0.3260   37.472   90.000   0.00   0.10   0.00   0.00 
1 1 1    6    0    8 o   74.742   0.4449   55.610  -0.0000  -0.05   0.00   0.00   0.00 
1 1 1    6    0    9 f   68.527   0.4148   77.347 -90.0000  -0.00  -0.40   0.00   0.00 
1 1 1    6    0   10 o   19.136   0.1812   8.5047   0.0000  -0.01   0.00   0.00   0.00 
1 1 1    6    0   11 o   12.100   0.2191   11.492   90.000   0.00   0.18   0.00   0.00 
1 1 1    6    0   12 o   37.039   0.2853   18.643  180.000   0.55   0.00   0.00   0.00 
1 1 1    6    0   13 o   23.979   0.2006   13.801   90.000   0.00   0.22   0.00   0.00 
1 1 1    6    0   14 o   35.338   0.2766   44.197  180.000  -0.35   0.00   0.00   0.00 
1 1 1    6    0   15 o   39.526   0.2764   58.261 -90.0000  -0.00  -0.09   0.00   0.00 
1 1 1    6    0   16 o   56.916   0.3805   49.795  -0.0000   0.03   0.00   0.00   0.00 
1 1 1    6    0   17 o   14.953   0.2143   6.7807 -90.0000  -0.00  -0.13   0.00   0.00 
1 1 1    6    0   18 f   4.7329   0.5795   2.9598 -180.0000  -0.02   0.00   0.00   0.00 
1 1 1    6    0   19 o   29.596   0.2894   23.033 -90.0000  -0.00  -0.07   0.00   0.00 
1 1 1    6    0   20 o   55.083   0.3768   61.052 -180.0000  -0.01   0.00   0.00   0.00 
1 1 1    6    0   21 o   44.757   0.3294   36.429   90.000   0.00   0.32   0.00   0.00 
1 1 1    6    0   22 o   11.593   0.3839   19.485 -180.0000   0.08   0.00   0.00   0.00 
1 1 1    6    0   23 o   15.093   0.3052   23.907 -90.0000  -0.00  -0.03   0.00   0.00 
1 1 1    6    0   24 o   69.184   0.4366   64.044   0.0000  -0.33   0.00   0.00   0.00 
1 1 1    6    0   25 o   0.0000   2.8636   0.3654 -90.0000   0.00   0.00   0.00   0.00 
1 1 1    6    0   26 o   0.0000   3.3015   14.955  180.000  -0.00   0.00   0.00   0.00 
1 1 1    6    0   27 o   19.677   0.4057   0.0923 -90.0000   0.00   0.06   0.00   0.00 
1 1 1    6    0   28 o   21.833   0.3715   29.820   0.0000  -0.00   0.00   0.00   0.00 
1 1 1    6    0   29 o   26.978   0.3187   27.316 -90.0000  -0.00  -0.54   0.00   0.00 
1 1 1    6    0   30 o   35.182   0.3504   18.507  180.000   0.39   0.00   0.00   0.00 
1 1 1    6    0   31 f   11.203   0.4378   7.1061   90.000   0.00   0.15   0.00   0.00 
1 1 1    6    0   32 f   10.276   0.5620   16.184  180.000  -0.10   0.00   0.00   0.00 
1 1 1    6    0   33 f   20.768   0.3271   24.950   90.000  -0.00  -0.19   0.00   0.00 
1 1 1    6    0   34 o   17.731   0.3646   22.056   0.0000  -0.07   0.00   0.00   0.00 
1 1 1    6    0   35 o   26.516   0.3774   22.420 -90.0000   0.00   1.59   0.00   0.00 
1 1 1    6    0   36 o   4.0000   1.0566   1.7358  180.000   0.18   0.00   0.00   0.00 
1 1 1    6    0   37 o   4.7854   1.0355   2.2608   90.000  -0.00  -0.17   0.00   0.00 
1 1 1    6    0   38 o   2.2136   1.3884   0.4155   0.0000  -0.02   0.00   0.00   0.00 
1 1 1    6    0   39 f   3.1781   1.3367   3.3114 -90.0000  -0.00  -0.08   0.00   0.00 
1 1 1    6    0   40 o   5.7619   0.9495   5.8580   0.0000  -0.63   0.00   0.00   0.00 
1 1 1    6    0   41 o   0.0000   3.7815   2.5402 -90.0000  -0.00  -0.02   0.00   0.00 
1 1 1    6    0   42 f   1.8974   1.5124   2.1279   0.0000   0.29   0.00   0.00   0.00 
1 1 1    6    0   43 f   3.9115   1.2540   1.1275   90.000  -0.00  -0.24   0.00   0.00 
1 1 1    6    0   44 o   8.3126   1.5943   5.7050 -180.0000  -0.15   0.00   0.00   0.00 
1 1 1    6    2    0 o   51.640   0.3223   60.695  -0.0000  -0.07   0.00   0.00   0.00 
1 1 1    6    2    1 o   22.861   1.6938   34.598   33.200   3.17   1.54  -0.53  -0.58 
1 1 1    6    2    2 o   26.495   1.1701   38.838  145.900  -1.14   1.39   0.02   0.71 
1 1 1    6    2    3 o   32.766   0.6683   25.622   70.400   0.55   0.39   0.00  -0.29 
1 1 1    6    2    4 o   29.065   0.1457   32.706  155.200  -0.15   0.01   0.14   0.38 
1 1 1    6    2    5 o   19.340   0.3720   15.868  113.300   0.42   0.66   0.08  -1.26 
1 1 1    6    2    6 o   15.397   3.3499   21.109  111.500 -15.13   5.15  -3.25   2.37 
1 1 1    6    2    7 f   59.922   2.2039   66.695 -81.0000 -11.82  -6.96  -8.65  -9.79 
1 1 1    6    2    8 o   20.167   4.4345   15.590  121.100 -23.48   9.37  -4.72   4.74 
1 1 1    6    2    9 f   34.098   2.2979   30.020 -112.1000  -9.09  -6.91  -0.55  -2.64 
1 1 1    6    2   10 o   33.309   0.2273   20.316  102.800  -0.09  -0.54   0.12  -0.01 
1 1 1    6    2   11 o   51.518   2.1218   41.331   51.900   6.68   2.54  -6.96  -2.10 
1 1 1    6    2   12 o   40.469   3.2514   29.219 -67.7000   5.81 -13.04   3.65   3.07 
1 1 1    6    2   13 o   10.608   0.1733   19.666   94.300   1.86  -0.23  -1.73   0.13 
1 1 1    6    2   14 o   40.012   0.1959   26.660   74.000  -0.21   1.02   0.09   0.07 
1 1 1    6    2   15 o   39.513   2.2902   29.661  -0.8000   9.58 -11.05   1.42   4.85 
1 1 1    6    2   16 o   39.887   3.2723   45.908   54.300  13.44  26.05   3.41  -5.17 
1 1 1    6    2   17 o   65.110   0.2908   79.636 -103.2000   4.47  -2.55  -7.25   5.19 
1 1 1    6    2   18 o   54.030   0.3050   52.251 -124.8000   0.67  -0.95  -0.08   0.75 
1 1 1    6    2   19 o   26.926   1.7944   19.770   92.100  -0.09  12.73   2.75  -0.07 
1 1 1    6    2   20 o   15.508   0.8614   12.786 -52.4000  -2.09  -4.04   1.18  -1.86 
1 1 1    6    2   21 o   15.071   0.6271   17.087 -21.5000   0.47  -2.55   1.17   0.36 
1 1 1    6    2   22 o   11.538   0.2420   26.280   82.600   0.18   0.30   0.20  -0.24 
1 1 1    6    2   23 o   17.685   0.7020   17.521  100.400  -7.24   1.38  -3.37   1.15 
1 1 1    6    2   24 o   23.129   0.2674   14.348 -162.5000  -0.07  -1.77   1.67   0.17 
1 1 1    6    2   25 o   34.920   0.9125   39.431  157.400  -8.07  -1.94  -2.12  -1.30 
1 1 1    6    2   26 o   21.372   0.2108   23.128 -77.2000   0.22   0.31  -2.51   0.91 
1 1 1    6    2   27 f   11.908   0.4764   29.089 -24.4000   2.30  -0.30  -2.86   0.12 
1 1 1    6    2   28 o   17.054   0.9735   19.549 -20.9000  13.29  -1.36  -3.81   0.57 
1 1 1    6    2   29 o   37.811   0.2509   26.392 -179.5000  -0.20   0.39  -0.28   0.28 
1 1 1    6    2   30 o   0.0000   2.2144  ?   ?   -0.21  -0.05  -0.18  -0.25 
1 1 1    6    2   31 o   19.962   0.2504   10.821 -88.0000  -0.09  -0.21   0.05   0.32 
1 1 1    6    2   32 o   25.504   0.2255   21.822 -163.5000  -1.16  -2.40  -0.36  -2.08 
1 1 1    6    2   33 o   11.213   0.6320   14.182   26.100   0.53   1.01   0.08  -0.07 
1 1 1    6    2   34 o   9.4067   0.4422   8.5910 -19.0000  -0.20  -0.14   0.07  -0.02 
1 1 1    6    2   35 o   8.3705   0.4329   4.0805  177.300  -1.43   0.35  -0.90  -0.36 
1 1 1    6    2   36 o   11.896   0.3750   9.5299   47.000   0.26   0.25   0.03  -0.01 
1 1 1    6    2   37 o   3.2558   0.8995   6.7681   2.2000   0.06  -0.15   0.01   0.00 
1 1 1    6    2   38 o   10.165   0.4586   9.9740 -106.3000  -1.50   0.72  -0.31  -0.05 
1 1 1    6    2   39 o   5.7434   0.6379   4.2191  135.400   0.09  -0.46  -0.01   0.05 
1 1 1    6    2   40 o   5.2726   0.6646   7.7055   44.000  -0.03   0.12   0.00  -0.00 
1 1 1    6    2   41 o   10.861   0.4282   10.724 -100.0000   1.18  -1.78  -0.23  -0.52 
1 1 1    6    2   42 o   6.3310   0.7291   2.8549 -148.9000  -0.70  -0.52  -0.03   0.07 
1 1 1    6    2   43 o   6.4873   1.5266   3.0878  130.000   0.16   1.79   0.07  -0.09 
1 1 1    6    4    0 o   21.249   0.1773   13.149  180.000  -0.08   0.00   0.00   0.00 
1 1 1    6    4    1 o   41.301   1.5414   34.812 -100.5000  -3.32  -0.92  -0.94  -0.83 
1 1 1    6    4    2 o   11.661   3.2750   16.257 -154.4000 -10.17   9.41  -0.35   3.55 
1 1 1    6    4    3 o   17.674   0.7669   17.241   20.300  -2.34   2.56   0.58   2.77 
1 1 1    6    4    4 o   35.630   1.7436   33.665  -0.8000   3.51   4.52   0.21  -1.33 
1 1 1    6    4    5 o   34.666   1.2343   35.827  168.800   0.13   3.92   4.26   0.79 
1 1 1    6    4    6 o   14.560   0.8780   28.598   94.300   1.81   0.00  -0.90  -0.10 
1 1 1    6    4    7 o   47.986   0.9453   42.400   4.1000   1.54  -0.65  -0.62   0.32 
1 1 1    6    4    8 o   41.995   2.1212   39.182 -173.2000  -3.20  -0.78  -0.29  -0.19 
1 1 1    6    4    9 o   32.374   1.7941   14.496 -166.1000  -3.79 -10.71   2.16  -1.42 
1 1 1    6    4   10 o   15.241   0.8982   15.415   49.900  -4.97  -0.29  -5.87   0.29 
1 1 1    6    4   11 o   29.895   0.8788   29.756 -107.5000  -1.22  -1.36   0.07  -0.24 
1 1 1    6    4   12 o   42.265   1.3886   28.984 -102.3000  -0.01  -2.87   1.09  -0.42 
1 1 1    6    4   13 o   31.356   0.3362   24.016  -2.9000   0.20   0.87   1.20   3.15 
1 1 1    6    4   14 f   50.953   2.4028   30.868  134.000 -25.53  -2.96  -6.35  -2.34 
1 1 1    6    4   15 o   51.165   0.2758   54.254   23.200   0.73  -0.78  -0.05   0.26 
1 1 1    6    4   16 o   48.339   1.2639   47.638   37.700   4.24   2.27  -0.51  -0.63 
1 1 1    6    4   17 o   69.206   0.3595   73.805  110.000  -1.44  -1.61  -0.65  -1.66 
1 1 1    6    4   18 o   39.041   0.2020   39.042 -40.3000   0.21  -0.18  -0.48   0.13 
1 1 1    6    4   19 o   30.471   1.6396   20.505 -96.9000   4.47  -8.04   1.08   1.95 
1 1 1    6    4   20 o   63.913   1.2840   57.734 -127.4000 -13.71   1.04  -6.80   2.01 
1 1 1    6    4   21 f   37.033   0.8029   37.022 -119.8000  -4.10  -0.91  -2.77  -1.95 
1 1 1    6    4   22 o   47.615   0.2499   46.734   57.200   4.03  -1.58  -4.18   8.73 
1 1 1    6    4   23 f   54.287   1.6124   47.404   45.200   9.35  11.73   1.55  -4.69 
1 1 1    6    4   24 o   15.109   0.4748   16.667  167.000  -3.34   2.42  -0.42   1.54 
1 1 1    6    4   25 o   7.3280   0.5895   0.6407 -142.0000  -1.85   0.46  -0.93   0.39 
1 1 1    6    4   26 o   10.984   0.9289   10.137   40.800   1.78   0.14  -0.24  -0.02 
1 1 1    6    4   27 o   23.334   0.7981   28.347 -135.4000  -3.48   1.72  -0.56   0.98 
1 1 1    6    4   28 o   11.708   0.6970   8.5503 -69.7000   6.52   0.29  -2.67  -0.03 
1 1 1    6    4   29 o   13.294   0.8527   8.2781   86.300   0.02   4.93   0.91  -0.07 
1 1 1    6    4   30 o   27.733   0.3291   24.907 -101.5000   3.77  -2.28  -4.41   2.97 
1 1 1    6    4   31 f   20.797   0.9390   19.570 -56.2000  -5.78 -16.28   3.35  -3.28 
1 1 1    6    4   32 o   0.0000   2.3272  ?   ?    0.07   0.22   0.12  -0.02 
1 1 1    6    4   33 o   4.5412   0.9187   6.3966  142.600  -1.23  -0.94  -0.02  -0.35 
1 1 1    6    4   34 o   7.0109   0.5205   9.6081   20.500  -0.91   0.17  -0.14   0.41 
1 1 1    6    4   35 o   9.1636   0.4497   13.393  137.500  -0.25   0.28   0.13  -0.19 
1 1 1    6    4   36 o   8.0073   0.5032   10.816   39.000   2.80  -0.93  -0.29   0.71 
1 1 1    6    4   37 o   0.0000   2.3451  ?   ?    0.15  -0.01   0.07  -0.01 
1 1 1    6    4   38 o   8.2588   0.4629   7.5320  173.400  -0.34   0.60   0.07  -0.18 
1 1 1    6    4   39 f   10.647   0.5228   8.8364   20.500   2.01   0.42  -0.01  -0.28 
1 1 1    6    4   40 o   5.3735   0.7072   3.5416 -73.2000  -0.22  -0.15  -0.01   0.01 
1 1 1    6    4   41 o   11.131   0.4051   10.746 -145.9000  -1.74  -0.31   0.31  -0.11 
1 1 1    6    4   42 o   4.6562   1.7876   3.8585  154.100   0.66   0.01  -0.02   0.01 
1 1 1    6    4   43 o   5.1134   1.3349   3.1368 -89.8000  -0.12  -0.32  -0.00  -0.01 
1 1 1    6    6    0 o   12.633   0.1448   22.339 -180.0000   0.01   0.00   0.00   0.00 
1 1 1    6    6    1 o   54.055   0.5949   56.125  161.300   0.34  -0.03   0.82   0.14 
1 1 1    6    6    2 o   45.351   1.2977   41.976 -12.8000   3.40  -0.69  -0.45   0.26 
1 1 1    6    6    3 o   56.595   1.5868   68.851 -112.1000  -0.26  -0.43   0.27  -0.06 
1 1 1    6    6    4 o   42.521   0.7369   28.091  123.800   0.13   0.09  -0.15   0.15 
1 1 1    6    6    5 o   32.293   1.6425   32.347   20.300   1.14   0.10  -0.32  -0.14 
1 1 1    6    6    6 o   48.628   3.4033   20.432 -161.9000 -14.56 -10.28  -1.48  -9.17 
1 1 1    6    6    7 o   40.901   1.1694   57.065  -3.3000   8.98  -9.70   0.48   2.56 
1 1 1    6    6    8 f   29.191   2.1877   28.522 -61.5000 -34.53 -21.70  -8.04 -14.31 
1 1 1    6    6    9 o   20.538   2.0665   25.890 -119.8000   2.87  -7.40   1.46   1.58 
1 1 1    6    6   10 o   66.193   0.3931   53.883   65.700  -8.06   1.44  -3.10   2.80 
1 1 1    6    6   11 o   41.463   0.7121   45.586 -170.5000  -0.54  -0.21   0.79  -0.50 
1 1 1    6    6   12 o   32.260   3.3438   46.914 -50.5000  40.02  -8.27 -10.12   5.12 
1 1 1    6    6   13 o   71.134   0.8117   84.289   49.400   0.51   1.32   0.60  -0.19 
1 1 1    6    6   14 f   60.457   0.4220   57.779 -148.7000  -4.22   3.78   0.85   5.39 
1 1 1    6    6   15 o   44.468   0.8500   34.772   20.500   1.89   5.67   3.85  -2.00 
1 1 1    6    6   16 o   56.977   3.3386   51.468  147.200 -38.99  18.01  -9.45   9.94 
1 1 1    6    6   17 o   59.491   1.7425   41.131 -172.0000  -4.23  -2.03  -0.52  -0.88 
1 1 1    6    6   18 o   89.267   1.3748   80.563 -18.2000   5.03  -0.29  -3.48  -0.93 
1 1 1    6    6   19 o   17.350   2.7461   14.820 -104.3000   7.14 -24.57   4.93   3.25 
1 1 1    6    6   20 o   56.050   0.6385   49.766  168.000  -1.09   5.86   2.46   0.50 
1 1 1    6    6   21 o   23.427   1.4620   31.616   96.400  -7.87  16.10   3.10   4.25 
1 1 1    6    6   22 o   16.352   1.5068   18.459   24.700  22.15  14.97  -3.22  -8.50 
1 1 1    6    6   23 o   24.026   0.2240   18.493  120.700   0.06  -0.14  -0.88  -0.89 
1 1 1    6    6   24 o   14.410   0.2592   2.7390   70.600  -0.52   0.17  -1.43  -0.01 
1 1 1    6    6   25 o   61.046   0.3048   51.276 -79.3000   0.18   0.50  -0.07  -0.21 
1 1 1    6    6   26 f   26.104   0.5757   26.462  122.800  -3.60   0.49  -1.86   0.12 
1 1 1    6    6   27 o   15.620   0.2667   17.231 -34.6000   0.26  -0.49   0.22   0.16 
1 1 1    6    6   28 o   40.425   0.6980   33.290 -102.9000   3.66  -3.31  -0.25   0.86 
1 1 1    6    6   29 o   21.703   0.3088   21.163  126.000  -1.68   0.52  -0.68   1.43 
1 1 1    6    6   30 f   27.386   0.4272   21.300 -51.6000   2.52  -0.52  -0.70   0.07 
1 1 1    6    6   31 o   0.0000   2.2856  ?   ?   -0.17   0.08  -0.15   0.04 
1 1 1    6    6   32 o   16.104   0.3666   5.9221   52.100   0.97  -0.52  -0.03   0.15 
1 1 1    6    6   33 o   11.927   0.4067   12.206 -49.6000   0.87  -0.98  -0.11   0.25 
1 1 1    6    6   34 o   10.095   0.9739   6.2838 -13.8000   8.11  -0.19  -1.76  -0.31 
1 1 1    6    6   35 o   10.060   0.3893   11.661  125.500   0.12   0.48   0.04   0.19 
1 1 1    6    6   36 o   8.9359   0.4729   11.830  122.600   1.74   1.04  -0.82  -0.10 
1 1 1    6    6   37 o   3.2409   1.5207   3.1026   36.400   0.34  -0.27  -0.03   0.02 
1 1 1    6    6   38 o   3.7562   0.8306   6.0514  114.400  -0.22   0.27  -0.02   0.02 
1 1 1    6    6   39 o   0.0000   2.3250  ?   ?    0.03   0.05   0.00   0.00 
1 1 1    6    6   40 o   5.9123   0.6287   3.2230 -167.5000  -1.14   0.06   0.04  -0.19 
1 1 1    6    6   41 o   4.7647   0.8701   4.6893 -178.3000   0.34   0.10  -0.00   0.02 
1 1 1    6    6   42 o   3.8866   1.0832   4.4658 -56.4000   1.15  -0.10  -0.06  -0.18 
1 1 1    6    6   43 o   10.310   1.0977   2.1782 -109.4000  -0.84  -0.66   0.02   0.02 
1 1 1    6    8    0 o   23.067   0.1849   24.819  180.000   0.10   0.00   0.00   0.00 
1 1 1    6    8    1 o   75.379   1.8095   54.951 -94.4000   1.50  -3.18   0.20   1.03 
1 1 1    6    8    2 o   59.497   0.4887   35.299   74.700   3.01   0.85  -5.81   4.67 
1 1 1    6    8    3 o   60.029   1.4057   51.214   51.300   0.82   2.68   1.47  -0.01 
1 1 1    6    8    4 o   32.392   2.5481   39.808 -138.5000   1.41 -19.62   6.87   1.68 
1 1 1    6    8    5 o   36.586   1.1334   20.529  134.300  -2.64  -0.75  -0.89  -1.15 
1 1 1    6    8    6 o   27.608   1.1500   24.101 -11.8000   0.99  -3.60   0.56   0.24 
1 1 1    6    8    7 o   69.284   1.1738   72.274 -101.4000  -1.70  -5.73   0.58  -0.63 
1 1 1    6    8    8 f   17.613   1.3891   19.541 -10.1000   3.70   6.96   2.68  -3.20 
1 1 1    6    8    9 o   55.660   2.7830   45.837   49.000   7.62  19.42   2.59  -3.08 
1 1 1    6    8   10 o   35.514   2.3809   42.598 -77.1000  11.33 -16.98   1.87   5.06 
1 1 1    6    8   11 o   16.181   0.5188   22.542   85.100   0.39   1.35   0.45  -0.24 
1 1 1    6    8   12 o   38.917   0.2133   47.795   36.200   0.00   0.13   0.05   0.06 
1 1 1    6    8   13 o   16.903   3.1741   18.758  179.600 -47.53  -5.70 -11.38  -2.63 
1 1 1    6    8   14 o   15.245   0.1430   16.714   52.200   1.03   0.12  -2.00  -0.01 
1 1 1    6    8   15 o   39.275   0.2234   35.942   31.400   2.32  -0.01  -5.11   2.24 
1 1 1    6    8   16 o   45.897   1.3494   37.134 -145.9000  -5.07   0.06  -2.53  -0.31 
1 1 1    6    8   17 f   69.849   0.4942   70.520 -17.5000  -1.08  -0.59  -0.35  -0.24 
1 1 1    6    8   18 o   55.316   1.4529   56.792 -36.3000   4.11   2.20  -0.96  -2.39 
1 1 1    6    8   19 o   61.670   2.2060   55.113  178.800 -23.16 -11.24  -4.96  -7.46 
1 1 1    6    8   20 o   48.293   1.4495   41.467  170.500 -25.10  13.13  -3.25   5.18 
1 1 1    6    8   21 o   22.549   2.7585   24.640  170.600 -71.34   2.81 -14.65   1.35 
1 1 1    6    8   22 o   43.533   0.4417   36.729   90.900  -3.66  -0.22  -1.91  -0.63 
1 1 1    6    8   23 f   9.3014   0.9424   25.635  139.000  -4.31   1.60  -1.34   1.02 
1 1 1    6    8   24 o   17.340   0.3145   13.972 -121.9000   0.44  -0.04  -0.19  -0.03 
1 1 1    6    8   25 o   22.791   0.4829   28.774 -68.8000  -4.37  -1.38  -2.18  -1.05 
1 1 1    6    8   26 o   6.8083   1.1169   3.5597   36.100   5.16  -3.84  -0.41   1.58 
1 1 1    6    8   27 o   25.023   0.6483   18.648 -37.5000   1.02  -0.50  -0.03   0.05 
1 1 1    6    8   28 o   22.442   0.5259   18.585 -155.6000  -2.04  -1.11  -0.12  -0.29 
1 1 1    6    8   29 o   7.5644   0.4518   5.5220  126.600  -1.62  -0.64  -0.36  -0.48 
1 1 1    6    8   30 o   14.815   0.2533   20.500 -147.7000  -1.18   0.95   2.33   1.91 
1 1 1    6    8   31 o   6.1280   0.4936   5.8747 -29.0000   0.20   0.23  -0.01  -0.03 
1 1 1    6    8   32 f   24.861   0.4186   27.654 -43.5000  -0.35  -5.57   2.34  -4.24 
1 1 1    6    8   33 o   6.7375   0.6317   6.8313   31.400   1.12   0.18  -0.11  -0.09 
1 1 1    6    8   34 o   7.2404   0.4868   5.8165   58.900  -0.02  -0.05   0.00   0.00 
1 1 1    6    8   35 o   3.3029   0.7888   2.7274  158.500  -0.15  -0.04   0.05  -0.01 
1 1 1    6    8   36 o   10.353   0.4075   11.355   92.600  -1.80  -0.03  -0.11  -0.62 
1 1 1    6    8   37 f   7.1553   0.5025   7.3459 -68.9000   1.39   0.49   0.33  -0.47 
1 1 1    6    8   38 o   0.0000   2.4080  ?   ?    0.02   0.11  -0.02   0.01 
1 1 1    6    8   39 f   5.1823   0.7030   4.8640  120.500  -0.37   0.62  -0.01  -0.12 
1 1 1    6    8   40 f   5.0302   0.7427   3.4116 -161.4000   0.23  -0.28   0.00  -0.02 
1 1 1    6    8   41 o   4.5799   0.8019   4.0820   48.300  -0.13  -0.24  -0.01  -0.01 
1 1 1    6    8   42 o   7.4942   0.9859   3.2212 -113.0000   0.04   0.03  -0.00   0.00 
1 1 1    6   10    0 o   14.849   0.1500   17.106  180.000  -0.20   0.00   0.00   0.00 
1 1 1    6   10    1 o   31.418   1.9244   38.474   58.100   4.28   8.05   1.25  -1.48 
1 1 1    6   10    2 o   84.355   3.7455   69.489   77.700  -5.31  24.91   4.46   3.09 
1 1 1    6   10    3 o   73.374   0.3092   71.947 -160.9000  -0.70   0.07  -0.12   0.09 
1 1 1    6   10    4 o   15.927   0.1373   15.805  101.600  -0.11   0.18   3.22  -1.75 
1 1 1    6   10    5 o   53.306   1.4326   62.274 -74.2000  -0.09  -6.40   1.17  -0.14 
1 1 1    6   10    6 o   53.416   0.5655   46.559 -119.7000  -0.67  -0.67   0.10  -0.31 
1 1 1    6   10    7 o   29.333   3.4273   18.618   64.800  49.56  20.39 -10.69 -10.14 
1 1 1    6   10    8 o   71.430   2.1936   51.608   9.3000  14.20  17.31   1.53  -5.38 
1 1 1    6   10    9 o   20.845   0.2123   21.631   10.700   1.65  -1.26  -0.55   1.35 
1 1 1    6   10   10 o   18.178   0.1452   11.070 -168.9000  -0.12   0.18   0.34   0.24 
1 1 1    6   10   11 o   31.874   2.0831   34.276  167.700 -23.11  -7.42  -7.74  -5.06 
1 1 1    6   10   12 o   50.879   0.6601   32.820 -103.9000  -1.17  -1.53   0.09  -0.22 
1 1 1    6   10   13 o   37.528   0.2324   34.976   99.100  -1.97   1.07  -0.91   0.95 
1 1 1    6   10   14 o   81.697   1.1121   83.414   36.300   3.39   4.13  -0.08  -2.00 
1 1 1    6   10   15 o   9.0732   1.0651   14.753  178.900  -4.73   2.99  -0.70   1.57 
1 1 1    6   10   16 o   33.626   1.2237   36.986 -55.7000  -6.64  -8.22   0.46  -2.98 
1 1 1    6   10   17 o   28.047   1.6270   31.039   52.000  35.11 -12.77  -7.61   6.70 
1 1 1    6   10   18 o   69.151   2.7550   71.137  173.300 -22.84  20.57  -1.29   7.27 
1 1 1    6   10   19 o   45.205   0.4332   36.382 -35.3000  -0.10  -0.73   0.21   0.01 
1 1 1    6   10   20 f   26.310   0.2208   19.551 -124.5000  -3.54   2.82   1.24  10.06 
1 1 1    6   10   21 o   24.755   0.1959   18.983 -47.8000  -0.05   0.14   0.13  -0.19 
1 1 1    6   10   22 o   40.977   0.2560   51.966   66.700  -0.81   1.49  -0.85   2.83 
1 1 1    6   10   23 o   37.628   0.2276   40.897 -88.6000   0.23  -0.91  -5.33   0.74 
1 1 1    6   10   24 o   48.840   0.2554   44.833 -108.6000  -0.41  -1.03  -3.41  -0.43 
1 1 1    6   10   25 o   24.294   0.4371   20.131  101.600   0.65   2.58   0.54  -0.19 
1 1 1    6   10   26 o   9.2652   1.4910   13.192   44.600  19.28   2.22  -5.08  -0.97 
1 1 1    6   10   27 o   6.1429   0.4896   8.1183   59.800  -0.41   0.43  -0.65   1.01 
1 1 1    6   10   28 o   11.436   0.5224   7.7718   54.200   4.17   2.23  -0.55  -1.04 
1 1 1    6   10   29 o   21.784   0.2283   13.560 -158.2000  -0.80  -1.29   1.18  -0.16 
1 1 1    6   10   30 o   9.6842   0.3374   8.1674 -141.9000   0.27  -1.46   0.55   0.59 
1 1 1    6   10   31 o   7.3796   0.4472   5.1145 -23.4000   0.07  -0.38   0.03  -0.00 
1 1 1    6   10   32 o   9.5805   0.5944   13.273 -119.6000   0.24  -3.42   0.77  -0.14 
1 1 1    6   10   33 o   9.1350   0.4139   7.8423  179.700  -0.09   0.59  -0.06  -0.35 
1 1 1    6   10   34 o   6.0725   0.6693   2.7927   92.500  -0.48   1.39   0.24   0.02 
1 1 1    6   10   35 o   5.9560   0.9072   6.0828 -15.7000   3.22   0.21  -0.51  -0.42 
1 1 1    6   10   36 o   8.8605   0.4539   8.4090   30.400   0.85  -0.26   0.15   0.15 
1 1 1    6   10   37 f   6.2272   0.5565   4.6004 -100.6000   0.18  -0.05   0.01   0.00 
1 1 1    6   10   38 o   0.0000   2.3555  ?   ?   -0.13   0.12  -0.00  -0.03 
1 1 1    6   10   39 o   0.0000   2.3611  ?   ?   -0.09   0.10  -0.01   0.00 
1 1 1    6   10   40 o   3.2394   0.9222   1.2402 -158.1000   0.06  -0.19  -0.01   0.01 
1 1 1    6   10   41 o   6.2898   0.9235   5.6030   11.200  -0.44   0.71  -0.05  -0.07 
1 1 1    6   12    0 o   22.439   0.2032   6.9847   0.0000  -0.00   0.00   0.00   0.00 
1 1 1    6   12    1 f   96.096   0.8154   81.166  140.400  -5.81  -8.87   0.89  -7.27 
1 1 1    6   12    2 o   35.315   0.5093   43.181  100.400   1.73   0.74  -0.36  -0.29 
1 1 1    6   12    3 o  100.901   2.2228   97.493 -45.7000  10.16  -8.02  -0.21   2.39 
1 1 1    6   12    4 o   37.977   0.3532   32.753   35.400  -1.27  -0.51  -0.40  -0.25 
1 1 1    6   12    5 o   56.819   2.5617   66.892   56.100  11.26  13.11   0.27  -2.99 
1 1 1    6   12    6 o   61.274   0.5264   64.398 -155.3000  -1.20  -1.44   0.19  -0.43 
1 1 1    6   12    7 o   83.418   0.5097   88.166 -128.6000  -0.29  -1.64   0.45   0.00 
1 1 1    6   12    8 o   83.933   0.4311   97.824  -6.5000   1.94   3.69   3.42  -2.07 
1 1 1    6   12    9 o   12.841   1.1771   4.7287   16.900   4.77  -3.03  -0.67   1.55 
1 1 1    6   12   10 o   22.011   1.6767   19.885  174.300   0.69  13.50   4.26  -0.58 
1 1 1    6   12   11 o   30.785   1.8340   27.938  154.800 -13.88  -0.26  -3.84   0.02 
1 1 1    6   12   12 o   20.154   0.3837   13.142   42.000  -2.16   1.13  -1.51   1.68 
1 1 1    6   12   13 o   30.980   0.1829   37.984  176.300  -0.06  -0.07  -0.26   0.14 
1 1 1    6   12   14 o   7.0202   0.5837   9.8738 -54.8000  -8.69   1.70  -7.02   3.06 
1 1 1    6   12   15 o   53.021   0.9193   49.808 -40.8000   4.59   0.05  -1.29  -0.21 
1 1 1    6   12   16 o   57.720   1.3507   43.044  159.500 -13.38   2.88  -4.64   1.52 
1 1 1    6   12   17 o   83.180   0.7585   83.447   64.400  -5.76   2.46 -13.48   1.85 
1 1 1    6   12   18 o   32.558   1.2118   28.474 -138.5000  -5.59  -5.54  -0.31  -2.40 
1 1 1    6   12   19 o   22.154   0.1932   18.510 -118.3000  -0.96   0.18  -0.57   0.54 
1 1 1    6   12   20 o   19.517   1.6284   18.007   44.800   8.20   8.09  -0.17  -2.48 
1 1 1    6   12   21 o   29.170   0.2057   37.360  119.000   0.33   0.18   0.09  -0.28 
1 1 1    6   12   22 o   32.327   0.7536   41.396   11.900   8.15   0.71  -2.25  -0.70 
1 1 1    6   12   23 o   58.778   0.2816   49.636 -97.3000  -0.04  -1.04  -0.74   1.52 
1 1 1    6   12   24 o   41.845   0.2358   37.441  125.800   0.56   1.09  -1.34  -0.97 
1 1 1    6   12   25 o   33.410   0.3713   25.506 -57.5000  -1.58  -0.21  -0.13  -0.08 
1 1 1    6   12   26 o   16.046   0.3758   13.424  176.100  -0.59  -1.08   0.10  -0.32 
1 1 1    6   12   27 o   9.2132   0.3431   1.7963   47.600   1.10   0.97   0.79  -1.59 
1 1 1    6   12   28 o   11.167   0.3316   20.388 -52.9000  -0.13  -0.90   0.17  -0.14 
1 1 1    6   12   29 o   24.630   0.5547   19.342   85.500  11.14   4.68  -5.75  -2.04 
1 1 1    6   12   30 f   17.185   0.2298   14.934 -60.4000  -0.71   0.12   0.63   0.26 
1 1 1    6   12   31 o   1.6400   1.1356   0.6665   13.800  -0.34   0.24   0.10   0.14 
1 1 1    6   12   32 o   0.0000   2.2118  ?   ?   -0.12   0.25   0.01   0.05 
1 1 1    6   12   33 o   11.455   0.3233   9.5328  177.500  -0.32  -0.13  -0.02   0.02 
1 1 1    6   12   34 o   16.378   0.2730   12.359   52.800   1.09  -0.80  -0.22  -0.00 
1 1 1    6   12   35 o   3.8061   0.7281   3.1225  -1.5000   0.85  -0.31  -0.04  -0.38 
1 1 1    6   12   36 o   3.4057   1.1633   4.6371  126.700  -1.25  -0.40  -0.03  -0.16 
1 1 1    6   12   37 o   4.9676   0.6755   2.6364   4.8000  -0.53   0.16  -0.03  -0.03 
1 1 1    6   12   38 o   5.7559   0.6273   5.6390 -137.1000   0.90  -0.41   0.09  -0.17 
1 1 1    6   12   39 o   4.8102   0.6918   3.8489  172.800  -0.26  -0.06   0.01  -0.02 
1 1 1    6   14    0 o  110.366   0.7269  140.097  180.000  -0.60   0.00   0.00   0.00 
1 1 1    6   14    1 o   23.909   1.1877   18.266 -134.7000   3.79  -5.13   0.42   1.66 
1 1 1    6   14    2 o   38.706   1.1953   44.621 -33.0000  -0.05  -3.80   1.15  -0.16 
1 1 1    6   14    3 o   35.055   1.7757   48.261   85.200  -0.46  13.97   3.10   0.35 
1 1 1    6   14    4 o   66.753   0.8136   63.860   85.500  -0.20   0.13   0.06   0.09 
1 1 1    6   14    5 f   38.302   0.3348   33.585   42.100   0.08   0.41   0.27  -0.50 
1 1 1    6   14    6 o   40.353   0.7730   45.712 -106.1000  -3.49  -1.45  -2.06  -1.45 
1 1 1    6   14    7 o   23.239   0.2847   35.337 -44.7000   3.71   1.61  -6.08  -4.76 
1 1 1    6   14    8 o   54.232   1.9816   55.989   33.300  32.26 -13.62  -6.64   7.55 
1 1 1    6   14    9 o   63.923   0.3397   70.918 -111.3000   0.87  -0.80  -1.69   1.19 
1 1 1    6   14   10 f   34.556   1.6485   22.346 -139.4000   1.45 -26.39   8.69   1.31 
1 1 1    6   14   11 o   34.812   0.1862   30.198 -54.7000  -2.16  -3.76   1.64  -4.50 
1 1 1    6   14   12 f   11.094   0.4148   19.302 -87.7000   0.11   3.13   2.34  -0.03 
1 1 1    6   14   13 o   36.708   0.2329   34.228  107.100  -0.82   0.12  -0.19   0.16 
1 1 1    6   14   14 o   73.406   0.9139   72.746 -85.1000   0.60  -0.66  -0.26   0.22 
1 1 1    6   14   15 o   28.230   1.0213   30.771  136.900  -4.08  -3.02  -0.30  -2.02 
1 1 1    6   14   16 o   26.468   0.4726   28.680   67.200   0.14  -0.46   0.04   0.05 
1 1 1    6   14   17 o   29.040   0.1925   13.865  135.400   1.30   0.41  -0.46  -0.72 
1 1 1    6   14   18 o   24.021   0.9806   22.590   52.300   5.01  11.46   1.85  -1.77 
1 1 1    6   14   19 o   37.234   1.9325   34.361 -10.5000  30.31 -11.85  -7.14   7.70 
1 1 1    6   14   20 o   40.516   0.3867   33.400  115.500   0.37   1.32  -1.02  -3.50 
1 1 1    6   14   21 o   4.8243   1.2421   5.4260 -139.2000  -6.55   3.28  -1.40   2.10 
1 1 1    6   14   22 f   7.0719   0.3927   13.004   69.500   0.22   1.52   0.33  -0.06 
1 1 1    6   14   23 o   0.7082   0.9161   4.6364 -133.6000   0.09   0.07  -0.24  -0.15 
1 1 1    6   14   24 f   8.2950   0.6471   4.2412  128.700  -0.09   3.56   0.93  -0.09 
1 1 1    6   14   25 o   11.232   1.4979   13.027 -141.9000 -18.93  -6.88  -4.07  -2.91 
1 1 1    6   14   26 o   12.069   0.7891   9.7724   59.300   8.31   1.03  -1.57  -0.61 
1 1 1    6   14   27 o   8.4605   0.6481   7.9848  139.300  -9.85   1.84  -3.90   0.74 
1 1 1    6   14   28 o   12.196   0.2821   13.458 -112.1000  -2.86   4.07  -0.29   2.98 
1 1 1    6   14   29 o   10.079   0.3371   8.8936 -35.0000   0.05  -0.21  -0.00   0.03 
1 1 1    6   14   30 o   14.887   0.2452   15.474 -98.1000   0.89  -2.71  -0.52   2.54 
1 1 1    6   14   31 o   4.3243   0.6842   3.7162   92.000  -0.27  -0.05   0.08  -0.02 
1 1 1    6   14   32 o   9.2116   0.3404   7.3196   42.100   0.55   0.74  -0.10   0.69 
1 1 1    6   14   33 o   0.0000   2.1737  ?   ?    0.03  -0.16   0.02  -0.04 
1 1 1    6   14   34 o   4.9604   0.6225   5.5480  109.400  -0.51   0.54   0.15  -0.13 
1 1 1    6   14   35 o   3.3691   1.5527   1.1501  -0.7000  -0.80   0.41  -0.01   0.05 
1 1 1    6   14   36 o   4.1879   0.7144   5.9492   55.900   0.13  -0.06   0.01   0.00 
1 1 1    6   14   37 f   3.0287   0.8453   3.5921   50.700   0.22  -0.21   0.05  -0.03 
1 1 1    6   14   38 o   5.8232   0.7526   1.8587  150.400   0.43  -0.38  -0.03  -0.06 
1 1 1    6   16    0 o   93.376   0.5361   90.005  180.000  -1.19   0.00   0.00   0.00 
1 1 1    6   16    1 o   31.589   0.1733   14.027  173.900   0.02  -0.47   0.47  -4.07 
1 1 1    6   16    2 o   71.273   0.3032   51.356  152.200   2.20   0.89   0.36  -5.93 
1 1 1    6   16    3 o   32.161   0.9526   23.511 -36.1000   7.64   1.06  -2.21  -0.47 
1 1 1    6   16    4 o   81.393   0.6799   78.225   17.500   3.24   3.24   0.19  -0.90 
1 1 1    6   16    5 f   30.037   0.6407   24.993   70.100  -1.05   0.29  -0.10   0.07 
1 1 1    6   16    6 o   28.477   0.1590   15.253 -90.5000   0.27   0.09  -0.39   0.25 
1 1 1    6   16    7 o   39.221   0.1939   48.210  114.900  -0.08   0.38  -0.30  -0.96 
1 1 1    6   16    8 o   11.144   0.4708   12.535 -87.1000   0.82  -0.33  -0.21   0.16 
1 1 1    6   16    9 o   14.637   1.0870   32.321 -89.8000  -3.49  -3.43  -0.09  -1.13 
1 1 1    6   16   10 o   17.405   1.6341   11.408 -175.6000 -10.93  -3.99  -2.52  -2.35 
1 1 1    6   16   11 o   35.431   0.2522   40.795 -148.0000  -0.11  -0.00  -0.01   0.02 
1 1 1    6   16   12 o   6.4842   0.7836   9.8756   65.800   2.08   1.33  -0.26  -0.63 
1 1 1    6   16   13 o   36.651   0.4478   18.611 -67.0000  -0.66  -0.53   0.03  -0.19 
1 1 1    6   16   14 o   24.571   0.7306   37.100 -145.1000   0.18  -1.43   0.12   0.05 
1 1 1    6   16   15 o   21.707   0.3084   7.2589 -54.6000   1.08  -0.16  -0.30   0.02 
1 1 1    6   16   16 o   12.022   0.5702   11.261   66.800  11.29  -1.24  -8.45   1.31 
1 1 1    6   16   17 o   28.252   0.1861   23.443   23.300  -1.16   0.26  -0.80  -0.13 
1 1 1    6   16   18 o   53.493   1.6377   60.041 -41.3000  21.32  -6.17  -7.79   8.61 
1 1 1    6   16   19 f   13.141   0.3771   7.1783  100.000  -1.80   1.75  -0.05   0.38 
1 1 1    6   16   20 o   6.5591   0.3595   10.917 -131.3000  -1.31   1.48   0.61   1.89 
1 1 1    6   16   21 o   15.797   0.8116   7.2280 -27.0000   5.66   0.06  -0.62  -0.09 
1 1 1    6   16   22 o   58.452   0.2914  ?   ?   -2.08   4.72  -0.94   2.18 
1 1 1    6   16   23 f   5.8809   0.4216   11.253 -112.2000  -0.15  -0.13   0.08  -0.10 
1 1 1    6   16   24 o   13.487   0.5224   14.939  122.000  -6.38   2.70  -1.40   2.71 
1 1 1    6   16   25 o   10.057   0.5314   12.240  157.100  -2.48  -0.40  -0.51  -0.02 
1 1 1    6   16   26 o   8.2971   0.5894   11.257  147.900  -3.29  -1.73  -0.29  -0.76 
1 1 1    6   16   27 o   4.2286   0.9387   3.1369   22.500   2.27  -0.39  -0.30   0.19 
1 1 1    6   16   28 o   10.153   1.4783   12.557 -112.5000 -25.73 -21.48  -1.75  -6.08 
1 1 1    6   16   29 o   7.0684   0.3922   6.7553 -21.3000  -0.50  -0.33  -0.04  -0.02 
1 1 1    6   16   30 o   5.4267   1.0405   8.3496 -163.5000  -4.33  -0.18  -0.74  -0.35 
1 1 1    6   16   31 o   2.0591   1.0625   1.2737  157.600  -0.35  -0.04  -0.02  -0.02 
1 1 1    6   16   32 o   9.4831   0.3575   8.9059 -32.0000   0.19  -0.27   0.02  -0.01 
1 1 1    6   16   33 o   6.5299   0.6086   6.5665 -159.1000  -0.93   0.04  -0.03   0.06 
1 1 1    6   16   34 o   4.7738   0.6343   7.0012  108.900  -0.80   0.47   0.19  -0.20 
1 1 1    6   16   35 o   1.4100   1.1270   2.9145   40.600   0.32   0.18   0.03  -0.04 
1 1 1    6   16   36 o   7.1636   1.2736   5.8609 -35.2000   1.56   0.56  -0.01  -0.10 
1 1 1    6   18    0 o   31.071   0.2316   43.007  180.000  -0.14   0.00   0.00   0.00 
1 1 1    6   18    1 o   32.826   0.1842   34.657  133.300  -0.35   0.38   0.37   0.29 
1 1 1    6   18    2 f   49.759   0.7856   42.101 -104.6000   2.97  -2.96  -0.18   0.82 
1 1 1    6   18    3 o   13.906   0.1419   10.071   90.000  -0.14  -0.09  -0.00  -0.04 
1 1 1    6   18    4 o   43.204   0.2144   36.540 -65.5000  -0.09  -1.28   0.86  -2.52 
1 1 1    6   18    5 o   46.372   0.2292   37.720 -101.7000  -0.58   0.50  -0.84   0.22 
1 1 1    6   18    6 o   63.799   0.2855   61.034 -47.9000   0.73  -0.13  -0.22  -0.16 
1 1 1    6   18    7 o   22.001   1.2416   22.459 -54.0000  14.90  -3.09  -3.34   1.25 
1 1 1    6   18    8 o   61.605   1.5582   56.746   91.300 -15.75   6.85  -2.49   2.02 
1 1 1    6   18    9 o   39.920   1.4399   33.229  134.000 -13.09  11.36  -0.82   3.55 
1 1 1    6   18   10 o   42.642   0.3730   52.352  140.300   1.87   8.21   5.20  -4.57 
1 1 1    6   18   11 f   5.2704   0.2965   5.3768   60.000   0.09  -0.20  -0.56   2.32 
1 1 1    6   18   12 o   9.9704   0.5832   7.5730 -17.7000  -6.11  -7.85   0.98  -5.26 
1 1 1    6   18   13 o   11.205   0.9377   5.5998  -8.5000  13.82  -3.58  -3.32   2.04 
1 1 1    6   18   14 f   27.778   0.1810   26.730 -164.4000  -0.06  -0.23  -0.00  -0.09 
1 1 1    6   18   15 o   14.537   0.8327   10.858  162.500 -10.78   1.77  -2.34   0.95 
1 1 1    6   18   16 f   7.6846   0.2351   9.1305 -67.7000   0.42  -1.20   0.50   0.74 
1 1 1    6   18   17 o   19.683   0.5269   11.709 -66.8000   2.88   1.10  -1.89  -0.54 
1 1 1    6   18   18 o   21.785   0.2569   21.929 -42.7000   1.81   2.47   0.33  -0.49 
1 1 1    6   18   19 o   10.143   1.0883   10.875 -141.9000 -10.78  -3.73  -2.51  -1.63 
1 1 1    6   18   20 o   17.992   0.9770   14.039   10.600  11.46  -0.10  -2.81   0.63 
1 1 1    6   18   21 o   15.710   0.5960   18.718   39.000   5.15   1.98  -2.34  -0.90 
1 1 1    6   18   22 o   18.985   0.1975   18.349   62.700   0.06   0.62   0.06   0.03 
1 1 1    6   18   23 o   14.729   0.2097   12.983 -85.9000  -0.86  -1.18  -0.98  -0.75 
1 1 1    6   18   24 o   8.3886   0.3200   10.096 -171.1000  -0.71  -1.02   1.25  -0.12 
1 1 1    6   18   25 o   1.1584   0.9501   6.1677  119.400   0.53   0.38  -0.16  -0.16 
1 1 1    6   18   26 o   4.7755   1.1190   6.9196 -34.1000   4.04   0.09  -0.64  -0.20 
1 1 1    6   18   27 o   7.8035   0.5116   5.8122 -61.4000   3.22  -1.19  -0.99   0.16 
1 1 1    6   18   28 o   5.4681   0.4772   6.7892  135.800   0.84  -0.40   0.32   0.22 
1 1 1    6   18   29 o   6.4882   0.4371   4.8554  119.700   1.74   1.11  -1.09   0.41 
1 1 1    6   18   30 o   5.2157   0.5371   7.2766 -163.5000  -0.72  -0.03  -0.03  -0.07 
1 1 1    6   18   31 f   3.8993   0.6965   2.0364  -7.3000   1.13  -0.87  -0.34   0.05 
1 1 1    6   18   32 o   10.034   0.3552   9.1178 -19.0000  -0.21  -0.04   0.01   0.00 
1 1 1    6   18   33 o   8.7694   0.3844   8.1707  129.800  -0.05   0.50  -0.06   0.06 
1 1 1    6   18   34 f   8.4359   0.7905   2.5139   79.700   0.41   0.82  -0.04  -0.03 
1 1 1    6   20    0 o   22.287   0.1913   28.141  180.000  -0.46   0.00   0.00   0.00 
1 1 1    6   20    1 o   16.668   1.0301   19.896 -139.6000  -5.89 -16.85   5.15  -3.61 
1 1 1    6   20    2 o   39.952   0.2806   38.359 -83.0000  -7.50  -5.89  -2.79  -4.85 
1 1 1    6   20    3 o   28.814   0.1566   25.670   36.200  -1.01   0.19  -0.13   0.10 
1 1 1    6   20    4 o   39.917   0.4802   31.485 -58.7000   4.48  -3.16  -0.11   0.67 
1 1 1    6   20    5 f   7.6929   0.2619   6.0519 -128.8000  -1.22  -0.11  -0.24  -0.02 
1 1 1    6   20    6 o   7.5805   0.1894   13.677 -60.4000   0.83  -0.11  -0.72   0.04 
1 1 1    6   20    7 o   20.743   0.1412   16.391  167.200   0.66  -2.72   1.16   0.29 
1 1 1    6   20    8 f   36.506   0.2809   48.308   86.900   8.23  -0.12  -3.73   1.11 
1 1 1    6   20    9 o   35.804   0.7782   33.940 -72.8000   2.37  -1.49  -0.54   0.38 
1 1 1    6   20   10 o   21.514   0.1654   19.252   22.300  -2.11   2.07   0.84   1.68 
1 1 1    6   20   11 o   16.908   0.1540   16.488   51.500   0.67   0.39  -0.49  -0.14 
1 1 1    6   20   12 o   17.693   0.3799   21.247  152.200  -1.37   3.15   0.70   1.62 
1 1 1    6   20   13 f   19.658   0.1541   14.016   99.400   0.78   0.67  -0.49  -0.37 
1 1 1    6   20   14 o   9.3583   0.9166   15.047 -159.6000  -9.48   4.86  -1.15   1.87 
1 1 1    6   20   15 o   12.764   0.1869   13.091  157.000  -0.03   0.34   0.05   0.09 
1 1 1    6   20   16 o   11.553   0.3777   10.496  151.400  -1.10   0.60  -0.13   0.11 
1 1 1    6   20   17 o   7.5051   0.2438   6.4675 -94.7000  -2.07   0.09  -2.24   1.62 
1 1 1    6   20   18 o   9.5604   0.5592   11.639 -77.5000  -2.46  -2.74  -0.14  -1.05 
1 1 1    6   20   19 o   8.1134   0.4473   2.4870  -6.7000   2.78  -1.07  -0.60   1.15 
1 1 1    6   20   20 o   15.197   0.8229   10.525   59.000  12.81   6.99  -4.92  -4.36 
1 1 1    6   20   21 o   4.6572   0.4388   9.0465   30.400   0.89  -0.39  -0.22   0.09 
1 1 1    6   20   22 o   11.312   0.2288   9.0210 -69.7000   3.57   0.13  -1.82  -2.68 
1 1 1    6   20   23 o   2.4249   0.7225   2.0098 -109.9000  -0.56   0.37  -0.13   0.08 
1 1 1    6   20   24 o   3.7625   0.5708   4.9623  166.000   0.04   0.68  -0.26  -0.58 
1 1 1    6   20   25 o   2.1878   0.7877   3.5498 -179.9000  -0.07  -0.09  -0.02   0.00 
1 1 1    6   20   26 o   4.5511   0.8364   7.3265 -41.9000   4.10  -1.06  -0.98   0.06 
1 1 1    6   20   27 o   7.9991   0.3320   6.1737  155.500  -1.39   0.20   0.11  -0.69 
1 1 1    6   20   28 o   2.0774   0.8350   3.2623  144.700   0.40   0.20  -0.06   0.15 
1 1 1    6   20   29 o   6.4404   0.4437   8.8946 -102.3000  -1.12  -2.02  -0.19  -0.41 
1 1 1    6   20   30 o   4.6227   0.6001   2.9622 -124.1000   0.34  -0.38  -0.04   0.03 
1 1 1    6   20   31 o   7.0927   0.6650   5.8787 -10.0000   0.09  -0.07   0.00   0.00 
1 1 1    6   22    0 o   1.8708   0.6306   4.2415   0.0000  -0.02   0.00   0.00   0.00 
1 1 1    6   22    1 o   7.8901   0.4002   10.449  151.500  -1.13  -0.55  -0.10  -0.17 
1 1 1    6   22    2 o   2.3841   0.3607   7.0855   21.500   1.08   0.81  -0.09  -0.56 
1 1 1    6   22    3 f   16.993   0.5435   23.549 -179.7000  -2.52  -5.08   2.01  -1.41 
1 1 1    6   22    4 o   12.463   0.3161   19.067 -128.6000  -0.08  -1.17   0.36   0.11 
1 1 1    6   22    5 o   15.938   0.3091   18.083 -75.3000   2.05   0.50  -0.53  -0.81 
1 1 1    6   22    6 o   11.397   0.1659   10.169   39.100   0.12   0.34   0.11   0.57 
1 1 1    6   22    7 o   8.1280   0.3562   10.170  -2.2000   2.00   0.97  -0.33  -0.75 
1 1 1    6   22    8 o   10.502   0.1926   4.6671 -154.8000  -0.12  -0.07  -0.05   0.03 
1 1 1    6   22    9 o   6.5115   0.1531   13.009 -12.1000   0.12  -0.48   0.75  -0.31 
1 1 1    6   22   10 o   8.8129   0.4697   8.7263   39.900   4.91   1.29  -1.03  -0.42 
1 1 1    6   22   11 f   14.441   0.5237   19.016  141.100  -8.73  -3.68  -2.75  -4.92 
1 1 1    6   22   12 o   15.362   1.0582   8.4330   20.700  15.45  -2.85  -2.63   0.62 
1 1 1    6   22   13 o   15.724   0.6487   20.020 -55.4000   7.05  -1.59  -1.96   0.34 
1 1 1    6   22   14 o   14.947   0.4562   15.274  145.000  -2.50   1.46  -1.27   0.67 
1 1 1    6   22   15 o   11.105   0.2960   13.978  129.100  -2.14   1.87  -1.87   1.93 
1 1 1    6   22   16 o   9.9057   0.2523   16.206 -97.5000   2.28  -1.19  -1.60   0.73 
1 1 1    6   22   17 o   0.1738   0.5546   4.9821   15.900  -0.24  -0.14  -0.37   0.32 
1 1 1    6   22   18 o   3.2703   0.4764   2.5886   90.400  -1.37   0.82  -0.49   0.37 
1 1 1    6   22   19 o   2.0648   0.6120   3.4617   11.500   0.20   0.02  -0.02   0.01 
1 1 1    6   22   20 o   3.7297   0.4723   4.5780   37.100   0.16  -0.43  -0.22   0.16 
1 1 1    6   22   21 o   5.7201   0.3610   4.6776  151.300   1.10   0.04  -0.17  -0.29 
1 1 1    6   22   22 o   8.5099   0.2721   10.870   18.600   1.07   0.53  -0.39   0.16 
1 1 1    6   22   23 o   4.2858   0.4867   0.5217 -179.9000  -1.14   1.04  -0.56   0.28 
1 1 1    6   22   24 o   7.6556   0.4382   7.2940  168.100  -1.27  -0.00  -0.09   0.09 
1 1 1    6   22   25 o   3.5407   0.5678   1.9873 -79.3000  -0.03  -0.50   0.03   0.09 
1 1 1    6   22   26 o   5.1493   0.4785   5.3682  153.900   0.04   0.16   0.00  -0.01 
1 1 1    6   22   27 f   5.3881   0.5084   3.0939  131.600  -0.15   0.60   0.06  -0.03 
1 1 1    6   24    0 f   2.7203   0.4246   5.9329  -0.0000   0.03   0.00   0.00   0.00 
1 1 1    6   24    1 o   5.1112   0.2062   8.3698 -55.9000   1.56   2.31   0.26  -2.48 
1 1 1    6   24    2 o   2.6077   0.3648   3.3950 -175.5000  -0.05   0.03  -0.02   0.01 
1 1 1    6   24    3 o   3.0682   1.1068   2.1563 -80.8000  -2.63   2.33  -0.03   0.60 
1 1 1    6   24    4 o   0.0000   1.4404  ?   ?    0.02  -0.04   0.00   0.02 
1 1 1    6   24    5 o   2.0020   0.9335   3.8348   74.800   0.14   1.38   0.14  -0.02 
1 1 1    6   24    6 o   5.9970   0.3699   4.7380  130.200   0.48   1.60   0.24  -0.27 
1 1 1    6   24    7 o   4.4521   0.8064   7.3673  -6.9000   3.66   0.33  -0.45  -0.15 
1 1 1    6   24    8 o   2.8998   0.6487   3.8086   37.700   0.45   1.87   0.41  -0.11 
1 1 1    6   24    9 o   3.5238   0.4649   9.3400  110.400  -0.68   0.89  -0.08   0.38 
1 1 1    6   24   10 o   10.007   0.2269   10.195  159.400  -0.14   1.45   0.51  -0.37 
1 1 1    6   24   11 o   5.6417   0.3472   3.9807 -156.3000  -0.01  -0.92   0.29   0.27 
1 1 1    6   24   12 o   12.019   0.2129   12.321 -56.9000  -5.80  -3.86  -1.26  -1.37 
1 1 1    6   24   13 o   4.6651   0.7249   1.9948 -154.8000  -8.08   2.88  -1.55   1.02 
1 1 1    6   24   14 o   5.4617   0.2217   2.4016 -76.6000   1.66   1.65  -1.43  -1.59 
1 1 1    6   24   15 o   7.5661   0.1969   10.106 -118.5000  -1.88  -0.13  -0.84   0.82 
1 1 1    6   24   16 o   4.9928   0.7288   4.9276   49.200   2.39   1.24  -0.10  -0.28 
1 1 1    6   24   17 o   3.7392   0.3812   4.4235   53.500   0.24   0.30  -0.04  -0.06 
1 1 1    6   24   18 o   2.3197   1.0479   1.5605 -113.4000  -0.27   0.35   0.00   0.02 
1 1 1    6   24   19 o   7.0515   0.2589   8.4294 -55.7000   0.91  -0.85  -0.78  -0.80 
1 1 1    6   24   20 o   5.5317   0.3296   6.2175  165.500  -0.37  -0.11   0.13   0.06 
1 1 1    6   24   21 o   3.7560   0.5165   4.9807   83.800  -1.08   0.31  -0.34  -0.06 
1 1 1    6   24   22 o   4.0709   0.5178   3.3072   10.200   0.28  -0.39   0.03   0.02 
1 1 1    6   24   23 o   5.6128   0.5640   2.6152 -80.5000  -0.23  -0.57  -0.08  -0.09 
1 1 1    6   26    0 o   11.300   0.1571   10.220  180.000   0.05   0.00   0.00   0.00 
1 1 1    6   26    1 o   4.8031   0.2720   4.2813  163.300   0.23   0.54  -0.19  -0.34 
1 1 1    6   26    2 o   10.656   0.5510   15.441 -76.3000   0.16  -2.95   0.41  -0.14 
1 1 1    6   26    3 o   9.2472   0.2219   11.460 -37.2000  -0.81  -0.55  -0.50   0.10 
1 1 1    6   26    4 o   2.4852   0.4366   4.4493   71.700  -0.13   0.30   0.09  -0.41 
1 1 1    6   26    5 o   0.0000   1.4747  ?   ?   -0.15  -0.13   0.06  -0.05 
1 1 1    6   26    6 o   6.6184   0.2428   8.8677   58.800  -0.09  -0.30   0.05   0.06 
1 1 1    6   26    7 o   3.4657   0.4823   3.5029 -22.0000  -0.98  -1.45  -0.01  -0.38 
1 1 1    6   26    8 o   6.1133   0.3627   7.5977  116.300   0.76   1.24   0.24  -0.14 
1 1 1    6   26    9 o   4.0566   0.5283   2.1853   96.400   0.91   0.16  -0.09   0.01 
1 1 1    6   26   10 o   2.0884   0.6588   5.7040 -88.6000  -0.23  -0.17  -0.10   0.03 
1 1 1    6   26   11 o   1.6281   0.7205   0.3907   57.400   0.11   0.00   0.00   0.02 
1 1 1    6   26   12 o   1.8899   0.6916   2.1769   77.300   0.04   0.27  -0.14   0.08 
1 1 1    6   26   13 o   3.4978   0.5124   3.7131 -153.2000  -0.27  -0.38   0.12   0.02 
1 1 1    6   26   14 o   2.3606   1.0963   3.8024 -120.3000   1.03  -0.87  -0.11   0.18 
1 1 1    6   26   15 o   8.2861   0.2924   10.099  144.800   0.51  -0.55   0.03   0.04 
1 1 1    6   26   16 o   5.3737   0.1953   3.0220  126.600   0.20   0.56  -0.83   0.46 
1 1 1    6   26   17 o   8.4735   0.2125   7.9223 -85.2000  -0.43  -0.17  -0.06   0.12 
1 1 1    6   28    0 o   2.7928   0.8058   7.1829   0.0000   0.03   0.00   0.00   0.00 
1 1 1    6   28    1 o   6.7338   0.1742   3.1456 -11.9000  -0.04   0.03  -0.00   0.00 
1 1 1    6   28    2 o   5.7229   0.4133   6.1665   6.0000   0.89  -0.69   0.06   0.19 
1 1 1    6   28    3 o   5.3555   0.2730   8.0657 -152.2000  -0.12   0.00   0.02  -0.02 
1 1 1    6   28    4 f   6.5447   0.6172   10.215  179.800  -1.60  -2.72   0.31  -0.29 
1 1 1    6   28    5 o   10.551   0.2971   9.9791  -3.1000  -0.14  -0.43  -0.04  -0.05 
1 1 1    6   28    6 f   5.3025   0.4569   3.7861  150.200   0.13  -0.13  -0.02  -0.00 
1 1 1    6   28    7 o   6.8245   0.4905   9.3569   96.500  -0.39  -0.23   0.01  -0.02 
1 1 1    7    1    0 o   61.730   0.3744   25.948 -180.0000  -0.49   0.00   0.00   0.00 
1 1 1    7    1    1 o   66.745   1.8293   60.121 -18.8000   3.21   2.80   1.06  -3.58 
1 1 1    7    1    2 o   69.884   0.3031   74.318 -25.5000  -0.36  -1.27  -0.02  -1.79 
1 1 1    7    1    3 o   52.001   4.9732   53.401 -144.7000  -9.96 -26.99   6.74  -4.96 
1 1 1    7    1    4 f   81.080   0.3367   87.625  167.300  -0.52   0.75   1.07  -0.25 
1 1 1    7    1    5 o   52.242   0.4585   48.782   28.000   1.70  -3.33   6.38   2.87 
1 1 1    7    1    6 o   50.245   3.6477   65.139 -28.2000   6.78 -17.23   3.95   3.09 
1 1 1    7    1    7 o   31.811   0.8706   25.480  140.200  -2.07  -3.98   1.70  -1.76 
1 1 1    7    1    8 o   16.877   1.3138   20.299 -11.3000   4.03   2.98  -0.21  -0.91 
1 1 1    7    1    9 o   18.475   1.3313   30.400 -140.8000  -5.19  -0.98  -2.38  -0.62 
1 1 1    7    1   10 o   20.363   0.9914   14.399  163.600   0.23   2.35   1.53  -0.73 
1 1 1    7    1   11 o   23.450   1.3444   34.171 -59.0000  -0.59  -3.68   1.41  -0.76 
1 1 1    7    1   12 o   18.528   1.7677   35.529  110.400   0.55  10.98   4.12  -0.75 
1 1 1    7    1   13 o   7.8012   1.8617   9.0470 -29.6000   8.43   2.20  -1.78  -0.94 
1 1 1    7    1   14 o   17.598   0.3414   18.007 -105.2000  -0.19  -0.63   0.51  -0.54 
1 1 1    7    1   15 o   53.718   2.4642   52.168  131.000 -12.87  12.00   0.02   5.01 
1 1 1    7    1   16 o   78.158   0.5487   95.468 -81.9000   0.28   0.05   0.13  -0.20 
1 1 1    7    1   17 f   40.247   0.8260   38.711   94.100  -1.43   3.11   0.26   0.37 
1 1 1    7    1   18 o   83.477   2.1356   88.171   63.400  -2.65  18.56   3.90   1.57 
1 1 1    7    1   19 o   10.222   0.7516   7.2981 -18.2000   1.73  -2.17   0.28   1.04 
1 1 1    7    1   20 o   39.440   0.6040   44.242  166.700  -0.84   1.88   0.73   0.54 
1 1 1    7    1   21 o   37.512   0.2087   16.177 -122.4000  -0.33   0.14  -0.46  -0.00 
1 1 1    7    1   22 o   47.547   0.2442   51.919 -25.0000  -0.49   1.62   2.13   0.26 
1 1 1    7    1   23 o   14.288   0.3111   24.702  163.800  -2.52   3.54   1.43   3.31 
1 1 1    7    1   24 o   11.839   0.5400   13.873   25.900   3.71   2.79  -0.56  -1.66 
1 1 1    7    1   25 o   37.258   1.5134   32.801   14.400   6.85   6.21   0.13  -2.94 
1 1 1    7    1   26 f   32.053   0.3966   22.708 -179.7000  -0.96  -0.47  -0.22  -0.14 
1 1 1    7    1   27 o   1.9765   1.0778   6.6567 -85.3000  -0.85  -0.73  -0.04  -0.46 
1 1 1    7    1   28 o   15.099   1.1481   12.823 -179.1000  -6.49 -13.78   2.44  -3.25 
1 1 1    7    1   29 o   26.154   0.9795   15.724   22.400   5.85   7.36   0.15  -1.19 
1 1 1    7    1   30 o   5.6948   0.6029   2.6664 -40.0000   1.28   0.97  -0.19  -0.41 
1 1 1    7    1   31 o   0.0000   2.3289  ?   ?    0.06   0.26   0.38   0.07 
1 1 1    7    1   32 o   17.436   0.3384   14.522 -10.3000  -0.50   1.54   0.19   0.39 
1 1 1    7    1   33 o   14.811   0.3822   20.628 -142.9000  -0.08  -3.47   1.21   0.39 
1 1 1    7    1   34 o   10.044   0.8788   9.4936  145.200  -3.18   4.95   0.71   0.90 
1 1 1    7    1   35 o   5.6717   0.6215   6.0812  120.700  -0.49  -1.19   0.02  -0.55 
1 1 1    7    1   36 o   5.2050   0.6038   2.1317 -36.6000  -0.08  -0.00   0.01   0.01 
1 1 1    7    1   37 o   3.6157   0.8576   0.7889 -88.9000  -0.56   0.39   0.26  -0.28 
1 1 1    7    1   38 o   7.2904   0.5390   6.0570   75.500   0.44   0.47  -0.06  -0.02 
1 1 1    7    1   39 o   6.2613   0.6281   6.4511   20.300   1.32  -0.19   0.44  -0.05 
1 1 1    7    1   40 o   6.2414   0.5445   7.3485 -128.8000   1.81   1.58   0.43  -0.25 
1 1 1    7    1   41 o   4.8045   0.8198   5.9027  103.200  -0.83   1.10   0.17  -0.02 
1 1 1    7    1   42 o   0.0000   2.7095  ?   ?   -0.12  -0.07   0.01   0.01 
1 1 1    7    1   43 f   6.8650   1.1753   1.6349 -55.2000   0.60   0.08   0.02  -0.00 
1 1 1    7    3    0 o   35.519   0.2405   20.749   0.0000   0.17   0.00   0.00   0.00 
1 1 1    7    3    1 o   46.271   2.2209   62.810 -24.2000   4.08  -0.87  -1.16   0.30 
1 1 1    7    3    2 o   61.162   3.7589   44.821 -100.5000   5.77 -18.99   7.19   6.36 
1 1 1    7    3    3 o   18.858   0.5848   16.107 -35.5000   2.94   0.71  -1.47  -0.57 
1 1 1    7    3    4 f   14.355   5.8217   14.260   62.100   5.58  35.73   4.42  -1.33 
1 1 1    7    3    5 o   67.087   1.5527   63.782   59.300   0.73   4.72   0.57  -0.28 
1 1 1    7    3    6 o   48.243   2.9832   46.840   74.900   8.44  21.82   3.49  -3.91 
1 1 1    7    3    7 f   47.483   0.2114   29.287  167.100  -0.51   0.05   0.27   0.54 
1 1 1    7    3    8 o   47.923   1.7185   27.856 -27.0000   5.88  -7.12   1.65   3.67 
1 1 1    7    3    9 o   23.516   4.2808   23.473 -57.6000   3.51 -52.73  14.76   1.40 
1 1 1    7    3   10 o   34.057   0.9800   46.994 -114.3000  -1.43   0.04  -0.77   0.50 
1 1 1    7    3   11 o   31.214   2.3543   24.657  109.300  -2.86  13.15   3.56   1.20 
1 1 1    7    3   12 o   28.324   2.6382   28.759  116.800  -2.74  16.64   3.85   0.97 
1 1 1    7    3   13 f   35.433   0.1755   33.247 -56.3000  -0.32   0.03  -0.04  -0.00 
1 1 1    7    3   14 o   18.390   0.7971   20.053 -19.4000   1.37   0.84  -0.18  -0.30 
1 1 1    7    3   15 o   83.139   0.5923  105.112 -154.1000  -0.56  -0.26   0.35   1.53 
1 1 1    7    3   16 o   24.459   1.3796   22.049   70.300  -1.34  11.86   3.05   0.83 
1 1 1    7    3   17 o   43.256   0.4586   34.194   73.500   1.70   0.97  -1.31  -1.11 
1 1 1    7    3   18 f   27.444   1.5808   32.785 -87.2000  -7.79  -6.16  -0.84  -2.89 
1 1 1    7    3   19 o   7.0002   1.2811   9.7561 -146.8000   2.00   5.99   1.33  -0.97 
1 1 1    7    3   20 o   29.907   0.6311   37.224  136.100  -2.12  -1.10  -0.48  -0.94 
1 1 1    7    3   21 o   22.454   0.1716   23.273   52.100   0.16  -0.25   0.12   0.14 
1 1 1    7    3   22 o   20.116   1.4355   24.179 -136.4000  -8.14 -18.92   4.17  -4.18 
1 1 1    7    3   23 o   8.3105   0.3699   11.752   31.400   0.04   0.04  -0.35   0.67 
1 1 1    7    3   24 o   21.021   0.6477   20.722 -39.6000   0.87  -3.15   1.08   0.46 
1 1 1    7    3   25 o   21.992   0.5860   21.918 -140.6000  -4.36   3.50  -0.23   3.65 
1 1 1    7    3   26 f   14.157   0.8131   19.116  170.800  -3.76   3.48   0.02   2.16 
1 1 1    7    3   27 o   32.712   0.2269   15.359   9.4000  -0.08   0.18  -0.24  -0.14 
1 1 1    7    3   28 o   24.147   0.4473   22.607   32.200   0.47   5.04   1.30  -0.08 
1 1 1    7    3   29 o   15.853   0.7000   14.987 -38.7000   4.11  -3.18  -0.18   2.19 
1 1 1    7    3   30 o   4.5903   0.8240   7.8980 -28.3000  -0.19   2.80   0.86   0.21 
1 1 1    7    3   31 o   12.177   0.3047   7.7190   72.200  -0.26   0.54   0.14   0.05 
1 1 1    7    3   32 o   2.5897   0.9537   5.1348   18.300   0.07   0.84   0.57  -0.49 
1 1 1    7    3   33 o   6.3967   0.5092   1.8338   35.000   0.74   0.51   0.06  -0.27 
1 1 1    7    3   34 f   4.9435   0.7146   0.2425  179.800   0.28  -0.29   0.25  -0.02 
1 1 1    7    3   35 o   6.1709   0.5866   2.6830 -101.6000   0.05  -0.17  -0.01  -0.04 
1 1 1    7    3   36 o   11.360   0.3277   12.061 -152.5000  -1.27  -1.92   2.51   1.17 
1 1 1    7    3   37 o   0.4957   1.0261   4.7688  149.800  -0.66  -0.43   0.03  -0.15 
1 1 1    7    3   38 o   10.014   0.8696   7.7281   49.400   3.45   7.05   1.64  -0.56 
1 1 1    7    3   39 o   10.945   0.4087   10.259 -102.0000   0.06  -1.13  -0.17   0.10 
1 1 1    7    3   40 o   5.2271   0.6759   3.1334  169.300  -0.51   1.18   0.15  -0.13 
1 1 1    7    3   41 o   8.1966   0.4756   8.6734   60.300   0.14   0.27  -0.01   0.01 
1 1 1    7    3   42 o   7.8056   1.2647   6.8869 -47.4000   0.74  -1.41   0.10  -0.02 
1 1 1    7    3   43 o   8.5585   1.0860   5.2124   53.800   0.83   0.77   0.02   0.05 
1 1 1    7    5    0 o   24.308   0.1776   17.052   0.0000  -0.05   0.00   0.00   0.00 
1 1 1    7    5    1 o   73.797   0.7604   82.354 -173.7000  -3.33   2.39  17.55  -2.59 
1 1 1    7    5    2 o   58.869   0.2585   59.513 -82.3000  -2.40  -1.48  -2.54  -0.88 
1 1 1    7    5    3 o   96.389   2.3223   75.842   97.000   2.35   4.02   3.18  -0.48 
1 1 1    7    5    4 o   8.0270   1.0176   4.3361 -59.5000   1.93  -3.76   0.96   1.50 
1 1 1    7    5    5 f   39.980   3.9795   23.427 -69.6000  12.60 -35.87   6.81   6.30 
1 1 1    7    5    6 o   36.110   2.7657   25.860   63.600  -5.29  14.11   2.34   2.48 
1 1 1    7    5    7 o   15.425   0.4489   20.250   0.3000   3.66  -2.78  -0.52   6.05 
1 1 1    7    5    8 o   7.9285   1.2595   20.841   71.800  -5.45   3.34  -1.22   2.15 
1 1 1    7    5    9 f   9.4455   1.8857   7.6864 -34.6000   7.70   7.34  -0.05  -2.76 
1 1 1    7    5   10 o   28.953   1.2353   39.832 -179.5000  -3.70  10.61   5.89   3.34 
1 1 1    7    5   11 o   28.569   0.1580   16.587   82.900   0.40  -0.70   0.83   0.21 
1 1 1    7    5   12 o   69.449   1.8197   71.011   74.900   5.68   6.55   0.50  -1.87 
1 1 1    7    5   13 o   48.462   1.7909   55.509 -113.5000  -3.96 -14.47   3.34  -1.69 
1 1 1    7    5   14 o   20.089   1.0577   20.572   4.1000   4.96  -1.26  -0.94   0.56 
1 1 1    7    5   15 o   42.203   0.3955   39.431  173.000  -1.11   2.51   0.84   0.65 
1 1 1    7    5   16 o   62.914   0.4573   53.337 -83.1000   0.03  -0.28   0.01   0.22 
1 1 1    7    5   17 o   16.328   1.1407   19.232 -73.4000   1.11  -4.37   1.11   0.67 
1 1 1    7    5   18 o   54.400   1.8448   51.316  151.600  -6.80  -1.33  -0.66  -0.21 
1 1 1    7    5   19 o   15.927   2.1070   0.9758   67.500  -6.42  22.87   7.43   4.74 
1 1 1    7    5   20 o   43.993   0.9315   31.915 -20.6000   2.66  -8.18   0.87   0.56 
1 1 1    7    5   21 o   11.689   0.2287   6.5669   25.400   0.34  -0.22  -0.75   0.78 
1 1 1    7    5   22 o   18.133   1.1568   11.576 -117.7000 -12.49  -3.40  -3.55  -2.25 
1 1 1    7    5   23 o   10.956   0.3470   11.837  -8.3000   0.32   0.23  -0.03  -0.06 
1 1 1    7    5   24 o   7.9213   0.4298   20.522  170.100  -0.09   1.67   1.09  -0.01 
1 1 1    7    5   25 o   19.115   0.2652   20.672  152.700  -0.30   0.20   0.08   0.32 
1 1 1    7    5   26 f   6.2495   0.5750   6.1003 -138.6000  -2.28  -2.45  -0.05  -2.35 
1 1 1    7    5   27 o   7.5369   0.4066   7.0253   74.700  -0.46  -0.23   0.14  -2.45 
1 1 1    7    5   28 o   14.719   0.2391   7.3766  153.800   0.99   0.66  -0.05  -0.29 
1 1 1    7    5   29 o   18.214   0.6846   19.821 -54.8000  -6.26  -6.90  -0.50  -6.32 
1 1 1    7    5   30 o   19.551   0.5090   17.636   45.300   1.38   1.91  -0.03  -1.19 
1 1 1    7    5   31 o   0.7926   1.0900   14.957  144.300   0.24   0.34  -0.01  -0.17 
1 1 1    7    5   32 o   8.5321   0.4275   11.585   0.1000   0.51  -0.15  -0.06   0.29 
1 1 1    7    5   33 o   14.155   0.8368   6.3499   39.400  -1.58  13.49   3.32   1.59 
1 1 1    7    5   34 o   10.724   0.3686   11.057 -159.0000  -0.40  -0.61   0.13  -0.05 
1 1 1    7    5   35 o   7.2053   0.5093   9.5693 -32.1000   0.03  -2.16   0.55   0.48 
1 1 1    7    5   36 o   3.8007   0.7545   2.7897 -148.8000   0.24  -0.19  -0.07   0.00 
1 1 1    7    5   37 o   1.5850   1.2371   3.3678 -126.9000  -0.10  -0.07  -0.00  -0.00 
1 1 1    7    5   38 f   0.0000   2.3557  ?   ?   -0.09   0.01   0.01  -0.00 
1 1 1    7    5   39 o   7.4302   0.5215   8.7664 -165.6000  -0.88   0.98   0.22  -0.19 
1 1 1    7    5   40 o   5.8530   0.7114   4.7076   5.9000   0.86  -0.85   0.13  -0.02 
1 1 1    7    5   41 o   6.3863   0.7017   6.1573  -7.7000   1.12   0.20   0.13  -0.02 
1 1 1    7    5   42 o   4.4709   1.1941   2.2015   7.6000  -0.26   0.16   0.01  -0.01 
1 1 1    7    7    0 o   25.485   0.2005   37.062  -0.0000  -0.25   0.00   0.00   0.00 
1 1 1    7    7    1 o   16.834   0.1196   14.648 -102.1000   0.63   0.16  -0.47  -0.04 
1 1 1    7    7    2 o   35.461   2.2127   43.332   3.5000  11.11   5.67  -2.13  -3.98 
1 1 1    7    7    3 o   68.525   0.2895   75.019  153.100  -1.32   8.71   6.20  -0.97 
1 1 1    7    7    4 o   51.668   1.2882   53.533 -156.4000  -2.57  -0.18  -0.18   0.01 
1 1 1    7    7    5 o   51.559   3.4671   44.300   9.7000  20.26   9.87  -2.52  -4.12 
1 1 1    7    7    6 f   38.258   0.5643   46.612   70.100  -0.60   1.23  -2.41   2.94 
1 1 1    7    7    7 o   16.871   1.4920   26.368 -173.5000  -3.00  -2.63  -0.04  -0.89 
1 1 1    7    7    8 o   38.677   4.4099   37.626 -69.5000  11.96 -47.59  10.49   6.55 
1 1 1    7    7    9 o   8.7380   1.2736   15.461   77.100  -4.76  11.82   4.25   4.23 
1 1 1    7    7   10 f   36.899   4.2818   45.659  172.800 -16.53  82.81  21.21   9.36 
1 1 1    7    7   11 o   40.526   1.1868   43.553   40.600   1.97   3.21   0.56  -0.86 
1 1 1    7    7   12 f   70.344   2.0328   62.284  150.900  -5.76  23.90   6.72   2.73 
1 1 1    7    7   13 o   43.774   1.7601   28.582 -106.8000  -1.01 -13.78   3.92  -0.31 
1 1 1    7    7   14 o   75.581   0.3336   77.824   43.900   0.18   1.63   1.63   1.04 
1 1 1    7    7   15 o   60.205   0.7605   67.899 -130.6000   0.88  -2.06   0.45   0.87 
1 1 1    7    7   16 o   12.563   0.7969   22.838   7.5000   3.16  -1.36  -1.10   1.06 
1 1 1    7    7   17 o   41.374   0.2186   34.451  107.200   2.69   1.65  -1.65  -1.98 
1 1 1    7    7   18 o   54.811   0.2540   53.739 -179.3000   0.87   0.41  -0.57  -0.23 
1 1 1    7    7   19 o   57.625   0.7002   46.069  -3.4000   0.32  -1.75   5.18 -13.04 
1 1 1    7    7   20 f   29.497   0.2297   26.633 -32.6000  -1.64  -0.54  -0.25  -0.15 
1 1 1    7    7   21 o   11.623   0.2735   24.336 -32.2000   0.01   0.00   0.01   0.01 
1 1 1    7    7   22 o   43.935   0.2346   43.185 -85.1000   0.07   0.47  -0.11  -0.55 
1 1 1    7    7   23 o   13.405   0.6653   9.6159   88.000   1.36   1.52  -0.01  -0.76 
1 1 1    7    7   24 o   29.867   0.3181   23.790   24.600   0.01   2.77   1.77   0.55 
1 1 1    7    7   25 o   35.208   0.2240   26.889  112.200   0.01   0.27   0.05   0.21 
1 1 1    7    7   26 o   22.776   0.9098   23.027  135.300  -2.38   8.76   3.09   1.41 
1 1 1    7    7   27 f   37.079   0.2433   26.764 -166.4000  -0.83 -10.34   5.32   0.62 
1 1 1    7    7   28 o   8.0629   0.4459   6.9643   71.700  -2.92  -0.89  -1.99  -0.87 
1 1 1    7    7   29 o   22.287   0.3681   22.800 -31.4000   3.31   4.01   0.69  -1.62 
1 1 1    7    7   30 o   11.844   0.3041   14.397   42.000   2.19  -0.22  -1.49   1.38 
1 1 1    7    7   31 o   5.7211   0.5388   7.7424   29.500   0.07  -0.75   0.41  -0.16 
1 1 1    7    7   32 o   12.512   0.4351   10.329  138.500   0.18   2.28   0.32  -0.19 
1 1 1    7    7   33 o   3.9170   1.3210   10.677 -168.7000  -1.43  -0.37  -0.11  -0.09 
1 1 1    7    7   34 o   9.2604   0.3831   5.9329 -168.4000  -0.14   0.27   0.05  -0.06 
1 1 1    7    7   35 o   6.7948   0.6597   6.3927 -32.8000   0.05  -1.16   0.08  -0.03 
1 1 1    7    7   36 o   5.0965   0.7071   8.3655 -58.0000   0.76  -0.12   0.07  -0.27 
1 1 1    7    7   37 o   8.2122   0.4498   8.7763  152.300  -1.01   3.30   1.14  -0.47 
1 1 1    7    7   38 o   0.3087   0.8997   0.9330  173.700  -0.38  -0.04  -0.00  -0.05 
1 1 1    7    7   39 o   5.5383   0.6630   4.0869 -49.5000   0.91  -0.57   0.02  -0.24 
1 1 1    7    7   40 o   2.7020   0.9515   4.9795 -27.8000   0.11  -0.30  -0.00  -0.03 
1 1 1    7    7   41 o   3.2237   1.4025   2.1225 -87.2000  -0.19   0.37   0.01  -0.03 
1 1 1    7    7   42 o   10.053   1.7832   2.7225  116.100  -1.14  -0.41   0.02   0.00 
1 1 1    7    9    0 f   58.367   0.3610   83.683  -0.0000   0.68   0.00   0.00   0.00 
1 1 1    7    9    1 o   29.332   1.6922   39.236   20.500  10.71   2.57  -1.75  -0.81 
1 1 1    7    9    2 o   86.952   3.3068   93.451 -123.3000  -5.20 -21.96   6.86  -2.51 
1 1 1    7    9    3 o   41.697   1.1292   60.387 -10.8000   0.58  -2.44   1.33   1.08 
1 1 1    7    9    4 o   71.578   0.7212   77.301 -17.8000  -0.07  -1.92   1.77  -1.42 
1 1 1    7    9    5 o   46.463   1.0219   51.155  129.700 -11.90   1.33  -2.66   0.79 
1 1 1    7    9    6 o   34.218   1.0976   14.676   89.700  -6.36   8.46   0.77   2.25 
1 1 1    7    9    7 o   16.209   0.2115   5.5721 -171.3000  -1.23   2.58   1.14   1.22 
1 1 1    7    9    8 o   55.989   1.2934   58.967  175.300  -2.72  -0.80  -1.73  -2.33 
1 1 1    7    9    9 o   12.399   4.1576   8.7438 -134.5000  24.44 -67.15   6.95   5.73 
1 1 1    7    9   10 o   20.850   0.5180   20.407  133.700  -1.21  -2.34   0.37  -0.61 
1 1 1    7    9   11 f   19.451   0.5369   15.569 -83.3000   0.66  -7.37  16.25   4.97 
1 1 1    7    9   12 o   31.781   0.5316   28.649  165.600   0.26   0.99   0.31  -0.11 
1 1 1    7    9   13 o   44.440   0.2182   44.716   19.800   0.33  -0.30   1.02   0.54 
1 1 1    7    9   14 o   46.468   0.8460   55.484 -133.6000  -0.41  -2.70   0.86  -0.45 
1 1 1    7    9   15 o   41.308   0.2050   38.213 -150.6000  -0.33   0.01   0.43   1.32 
1 1 1    7    9   16 o   59.510   1.3983   65.157   61.000   7.16  13.48   1.26  -2.17 
1 1 1    7    9   17 o   43.823   1.3449   30.354  146.200 -13.30  -3.68  -3.58  -2.51 
1 1 1    7    9   18 o   29.769   2.1257   37.426 -11.4000  22.97 -30.70   2.38   8.90 
1 1 1    7    9   19 o   8.8719   2.5445   12.388   12.400  21.78  15.26  -1.75  -4.93 
1 1 1    7    9   20 o   19.973   0.6176   23.097   54.100  -2.20   3.60   1.05   3.35 
1 1 1    7    9   21 f   13.859   0.5573   21.142 -106.2000  -0.36  -0.59   0.03  -0.07 
1 1 1    7    9   22 o   30.822   1.3810   29.492 -116.0000  -1.16   1.00  -0.00   0.08 
1 1 1    7    9   23 o   33.465   0.2092   36.050   30.100  -1.27   2.20   0.28   1.75 
1 1 1    7    9   24 o   29.725   0.5736   27.436   70.800  -1.10   2.06   0.07   0.13 
1 1 1    7    9   25 o   16.709   1.3858   12.191   73.400  11.87  22.30   4.51  -7.38 
1 1 1    7    9   26 f   2.2070   1.0720   8.9314 -89.5000   1.17   0.36  -0.22  -0.17 
1 1 1    7    9   27 o   31.718   0.5125   30.888 -175.8000  -2.60  -1.01  -1.18  -0.37 
1 1 1    7    9   28 o   9.8226   0.5307   10.615  109.300   1.99   2.39  -0.10  -1.30 
1 1 1    7    9   29 o   13.828   0.3485   12.757 -18.1000   2.01   2.29   0.48  -0.99 
1 1 1    7    9   30 o   10.818   0.3461   8.2074  -2.8000   1.12   0.27  -0.30  -0.56 
1 1 1    7    9   31 o   14.083   0.2480   7.6035   21.600   0.52  -0.75  -0.19   0.29 
1 1 1    7    9   32 o   5.6924   1.5737   3.8825 -174.3000   0.57   4.00   0.42  -0.19 
1 1 1    7    9   33 o   4.1011   0.7026   1.4315 -173.7000   0.77   0.05  -0.22   0.32 
1 1 1    7    9   34 o   8.1078   0.8102   7.9449   68.100  -0.11   5.54   1.16   0.48 
1 1 1    7    9   35 o   5.8469   0.6033   4.9546 -116.2000  -0.01  -0.20  -0.03  -0.00 
1 1 1    7    9   36 o   6.9175   0.5221   6.4650 -134.2000  -0.59  -0.52   0.06  -0.05 
1 1 1    7    9   37 o   4.0504   0.7750   8.1211   99.300  -0.60   0.58   0.17  -0.09 
1 1 1    7    9   38 o   6.0174   0.6149   3.3328 -75.2000   0.71  -0.47  -0.08  -0.08 
1 1 1    7    9   39 o   4.4376   0.6764   5.3493 -42.4000   0.16  -0.36  -0.02  -0.04 
1 1 1    7    9   40 o   3.5154   0.9218   2.4918  105.300  -0.18   0.24   0.02  -0.03 
1 1 1    7    9   41 o   8.6893   1.1505   5.1160 -175.2000   0.08  -0.06   0.00   0.00 
1 1 1    7   11    0 o   4.6797   0.3006   20.600  180.000   0.04   0.00   0.00   0.00 
1 1 1    7   11    1 o   14.428   2.8002   19.993 -176.4000 -18.97 -41.18   8.58  -9.80 
1 1 1    7   11    2 o   81.921   1.0118   69.120 -64.3000  -1.70  -2.79   0.59  -0.64 
1 1 1    7   11    3 o   33.730   0.4452   33.743   76.400  -1.13  -0.50  -0.15  -0.13 
1 1 1    7   11    4 o   11.772   1.0826   7.5582 -162.2000  -5.00   2.09  -0.94   0.90 
1 1 1    7   11    5 o   22.733   2.1620   15.378 -33.6000  27.47  -0.04  -8.38  -0.19 
1 1 1    7   11    6 o   28.343   0.9703   31.597 -140.8000   3.98  -4.42   0.07   2.80 
1 1 1    7   11    7 o   26.137   1.9233   21.721  124.900 -13.82   8.78  -2.40   4.66 
1 1 1    7   11    8 o   48.246   0.2361   47.242  133.800  -0.23   0.52   0.70   0.06 
1 1 1    7   11    9 o   51.642   1.5289   46.872 -94.2000   4.44  -6.43   0.70   2.76 
1 1 1    7   11   10 o   27.020   0.5696   11.386  165.300  -0.31   1.64   0.68   0.39 
1 1 1    7   11   11 o   68.860   0.7515   76.453   57.900  -0.31   2.06   1.77   2.38 
1 1 1    7   11   12 o   75.933   1.2359   78.526 -62.5000   4.79  -9.21   1.90   2.04 
1 1 1    7   11   13 o   25.026   0.3117   22.161  154.800  -0.33   4.27   2.63   0.15 
1 1 1    7   11   14 f   37.282   0.6237   50.264 -79.6000   3.75  -3.13  -0.73   2.34 
1 1 1    7   11   15 o   14.261   0.2051   18.886 -173.6000  -0.62  -0.18  -0.34  -0.30 
1 1 1    7   11   16 o   71.600   0.6208   63.443   61.500  -0.03   0.19   0.01   0.01 
1 1 1    7   11   17 o   93.628   0.7752   85.077 -98.9000   2.94  -1.79  -0.83   0.69 
1 1 1    7   11   18 o   36.230   0.5754   42.414  134.200   0.46   5.15   3.67  -1.77 
1 1 1    7   11   19 o   20.978   0.9754   17.793   76.800  -0.47   4.05   1.11   0.39 
1 1 1    7   11   20 o   13.698   0.7285   15.727   31.400  -0.31   4.19   1.69   0.41 
1 1 1    7   11   21 o   15.729   0.5366   20.684 -60.1000   3.33  -1.48  -0.73   0.67 
1 1 1    7   11   22 o   26.469   0.9526   32.135 -157.1000  -7.85  -0.87  -1.96  -0.24 
1 1 1    7   11   23 o   66.165   0.3174   59.663   96.500  -3.24  -0.46  -1.01  -1.60 
1 1 1    7   11   24 o   30.307   0.9264   22.190   6.9000   5.65  -2.41  -0.68   1.03 
1 1 1    7   11   25 o   18.132   0.6861   12.796 -104.6000  -1.09  -6.45   1.85  -0.93 
1 1 1    7   11   26 o   33.375   0.2268   24.107 -31.1000   0.97   2.27   0.80  -0.30 
1 1 1    7   11   27 o   23.152   0.3736   13.831  132.900   1.89   5.09   1.42  -5.26 
1 1 1    7   11   28 f   12.423   0.2864   14.064  166.600  -0.89  -0.02   3.37  -1.91 
1 1 1    7   11   29 f   14.784   0.4360   10.304 -42.7000  10.17   1.37  -6.31  -4.79 
1 1 1    7   11   30 o   11.116   0.3120   12.394  134.700   0.81  -0.04   0.01  -0.86 
1 1 1    7   11   31 f   4.2710   0.6339   3.5131 -53.8000   1.09  -0.39  -0.09   0.19 
1 1 1    7   11   32 o   2.4295   1.1798   2.7990   90.600  -0.21  -0.30   0.03  -0.02 
1 1 1    7   11   33 o   10.690   0.6252   7.8871   32.300  -0.40   1.65   0.08   0.13 
1 1 1    7   11   34 o   7.9727   0.8438   6.9408 -75.3000   0.15  -2.34   0.19  -0.08 
1 1 1    7   11   35 o   9.0909   0.6629   8.0883 -133.7000  -2.59  -1.83   0.35  -0.49 
1 1 1    7   11   36 o   1.2240   1.1437   1.8212 -46.0000   0.30  -0.06   0.01   0.03 
1 1 1    7   11   37 o   3.4733   0.8439   0.7035   87.300   0.07  -0.30  -0.01  -0.03 
1 1 1    7   11   38 o   4.4539   0.7235   1.7443   17.500  -0.43  -0.10   0.03  -0.02 
1 1 1    7   11   39 o   5.6834   0.6449   1.5812   50.400  -0.08   0.09  -0.00   0.00 
1 1 1    7   13    0 o   44.557   0.2910   70.096  -0.0000   0.18   0.00   0.00   0.00 
1 1 1    7   13    1 o   37.650   0.1797   38.232 -174.8000   0.15   0.14   0.08  -0.10 
1 1 1    7   13    2 o   44.599   1.1054   51.505  154.600  -6.21   0.84  -2.36   0.37 
1 1 1    7   13    3 o   7.8769   0.5668   4.7069   56.000   2.52  -0.07  -1.22   0.11 
1 1 1    7   13    4 o   61.336   0.8235   59.479 -91.0000   0.08  -1.60   0.41   0.16 
1 1 1    7   13    5 o   35.093   0.1872   42.893 -139.8000  -0.84   0.13  -1.07   1.23 
1 1 1    7   13    6 o   44.486   0.8561   52.480   56.200   0.64  -0.21  -0.02   0.02 
1 1 1    7   13    7 o   46.419   1.0112   63.606   67.200   2.12   4.21   0.73  -0.79 
1 1 1    7   13    8 o   67.637   2.1941   54.595  171.300 -31.77  47.29   9.52  19.78 
1 1 1    7   13    9 o   30.564   0.1660   30.303  132.200   0.28  -0.10  -0.03   0.04 
1 1 1    7   13   10 o   63.174   0.5432   58.220   14.200   8.75 -17.33  27.91  24.21 
1 1 1    7   13   11 o   7.9070   0.1953   8.0336  -7.0000   1.19   1.00  -0.42  -1.72 
1 1 1    7   13   12 o   25.113   1.9221   27.744 -87.1000   9.68 -31.39   6.60   4.72 
1 1 1    7   13   13 o   26.115   1.0311   22.160 -72.5000   1.20  -4.72   0.60   0.36 
1 1 1    7   13   14 o   45.810   1.3064   46.832  122.900  -1.71   5.19   0.99   1.07 
1 1 1    7   13   15 o   21.034   0.3534   27.792   25.800   0.59   1.48   2.03  -0.82 
1 1 1    7   13   16 o   37.844   0.8304   45.694 -117.6000  -2.89   1.27  -0.41   0.71 
1 1 1    7   13   17 o   14.085   0.2154   18.424  176.000  -0.34  -0.24   0.29  -0.86 
1 1 1    7   13   18 f   22.533   1.0600   22.748   8.9000 -15.30 -17.87   2.02  -9.30 
1 1 1    7   13   19 o   20.569   1.1587   16.772  161.800 -10.06   1.02  -1.89   0.50 
1 1 1    7   13   20 o   18.242   0.1842   21.622 -66.7000   0.25  -0.31   1.11  -3.93 
1 1 1    7   13   21 o   35.820   0.2082   37.360 -113.6000   0.33   0.37   0.02  -0.03 
1 1 1    7   13   22 o   25.061   0.1951   27.792  132.600   0.11  -0.90   0.20   0.17 
1 1 1    7   13   23 o   7.6977   0.7256   9.6668   38.700   4.19  -1.18  -1.05   0.77 
1 1 1    7   13   24 o   20.202   0.3108   21.384 -37.7000   0.28  -2.48   3.57  -4.62 
1 1 1    7   13   25 o   0.0000   2.0000  ?   ?    0.17  -0.40   0.05   0.07 
1 1 1    7   13   26 o   14.781   0.5325   12.146 -56.2000 -12.17  -5.92  -2.93  -5.42 
1 1 1    7   13   27 o   19.676   0.2461   20.006   54.900  -0.14   0.06   0.02   0.00 
1 1 1    7   13   28 o   7.1777   0.6913   8.7255  142.100  -2.69   2.13   0.01   0.76 
1 1 1    7   13   29 o   8.8869   0.5365   5.3956   50.800   1.79   2.56   0.42  -0.50 
1 1 1    7   13   30 o   12.958   0.2736   12.942  105.300   0.59   0.22   0.08   0.42 
1 1 1    7   13   31 o   10.525   0.3449   11.899 -137.6000  -0.62  -0.72   0.12  -0.07 
1 1 1    7   13   32 o   5.8765   0.5627   4.0897 -92.1000  -0.10  -0.96  -0.46   0.49 
1 1 1    7   13   33 f   9.2663   0.3704   3.8128 -50.3000  -0.21  -0.25  -0.02   0.04 
1 1 1    7   13   34 o   7.3317   0.6528   5.7225 -102.3000   2.80  -0.64  -0.12   0.48 
1 1 1    7   13   35 o   3.8048   0.6918   2.3921   66.600   0.07   0.15  -0.01   0.01 
1 1 1    7   13   36 o   2.4617   0.9937   3.8113 -50.4000   0.40  -0.06   0.05  -0.03 
1 1 1    7   13   37 o   3.6621   0.8431   5.3173 -141.7000   0.25   0.38  -0.02  -0.03 
1 1 1    7   13   38 o   5.0120   0.8366   2.4779 -31.2000  -0.54   0.53   0.09  -0.06 
1 1 1    7   15    0 o   35.752   0.2596   42.578  -0.0000   0.40   0.00   0.00   0.00 
1 1 1    7   15    1 o   30.542   0.1828   25.524   6.0000   0.12  -0.74   1.15  -0.16 
1 1 1    7   15    2 f   63.425   1.3048   50.386 -23.3000  14.53   8.28  -3.25  -4.42 
1 1 1    7   15    3 f   37.032   0.1832   34.800 -43.9000  -0.09  -0.47   0.83   0.33 
1 1 1    7   15    4 o   59.382   1.3703   54.329 -178.0000  -6.06  -9.45   1.17  -2.04 
1 1 1    7   15    5 f   25.013   1.0461   30.689 -139.9000   5.67 -13.15   3.77   3.68 
1 1 1    7   15    6 o   27.469   1.4335   26.433   24.300  19.02   1.51  -4.47  -0.86 
1 1 1    7   15    7 o   35.397   0.8575   33.791  151.100  -1.67   2.31   0.41   0.72 
1 1 1    7   15    8 o   36.999   1.0731   33.620  177.300  -1.17  -2.36   0.33  -0.31 
1 1 1    7   15    9 o   21.191   0.1530   8.9522   36.300  -0.05  -0.03   0.00  -0.02 
1 1 1    7   15   10 o   20.244   1.2912   18.829   51.000   1.44   4.15   0.59  -0.40 
1 1 1    7   15   11 o   37.927   0.2084   34.521   32.100  -0.87   0.44   0.30   1.26 
1 1 1    7   15   12 o   31.097   0.9120   19.129 -64.7000   0.55  -1.03   0.04   0.04 
1 1 1    7   15   13 o   38.858   0.7358   36.840   46.700  -1.95   2.42  -1.30   4.14 
1 1 1    7   15   14 f   22.806   0.5527   27.848   50.300  -0.16   2.29   0.62   0.19 
1 1 1    7   15   15 o   18.735   1.0143   21.745 -130.7000 -13.67   2.73  -3.73   1.80 
1 1 1    7   15   16 o   3.9933   0.8188   3.3983   73.100   2.14   3.05   0.31  -0.92 
1 1 1    7   15   17 o   5.1646   0.7376   5.3619 -108.4000   1.73  -1.65   0.00   0.58 
1 1 1    7   15   18 o   47.180   0.8396   51.897  135.400  -1.74   3.07   2.33   0.85 
1 1 1    7   15   19 o   15.793   0.5868   10.240  158.900  -4.35   2.85  -0.63   2.29 
1 1 1    7   15   20 o   14.866   0.9954   19.650 -107.3000  -0.96 -10.93   3.01  -0.77 
1 1 1    7   15   21 f   13.465   0.2187   14.993  117.900  -3.50  -0.09  -2.63  -1.16 
1 1 1    7   15   22 o   39.461   0.2255   35.265 -101.1000   3.45  -1.41  -0.44   0.16 
1 1 1    7   15   23 o   10.114   0.6659   10.329 -142.7000  -4.25  -1.06  -1.55  -0.47 
1 1 1    7   15   24 o   6.3545   0.3878   9.1694 -48.1000  -0.03   0.06   0.00   0.00 
1 1 1    7   15   25 o   4.0886   0.5876   3.6256 -37.3000   0.44   0.21  -0.19  -0.05 
1 1 1    7   15   26 o   9.3787   0.3072   16.219 -23.9000  -0.25   2.43   0.89   0.71 
1 1 1    7   15   27 o   8.3104   0.3622   8.1115   3.9000   0.55  -0.20   0.41  -0.66 
1 1 1    7   15   28 o   10.906   1.0672   10.237   97.700   7.95  15.82   1.89  -3.82 
1 1 1    7   15   29 o   4.8372   0.5773   6.8167  110.100   0.69   1.39  -0.01  -0.37 
1 1 1    7   15   30 o   7.1223   0.3733   7.2069   42.500   1.77  -0.45  -0.57  -0.18 
1 1 1    7   15   31 o   3.4758   0.8377   1.5552 -92.6000  -1.04  -0.93  -0.15  -0.16 
1 1 1    7   15   32 o   6.2689   0.4997   5.3636  174.100   0.27  -0.33  -0.05  -0.05 
1 1 1    7   15   33 o   3.5046   0.7616   2.3998  118.900  -0.83  -0.03  -0.05  -0.10 
1 1 1    7   15   34 o   3.2622   1.5132   4.6328 -17.2000   0.46  -1.06   0.11   0.02 
1 1 1    7   15   35 o   2.7895   0.8607   3.8135 -102.4000   0.17  -0.20  -0.04  -0.00 
1 1 1    7   15   36 o   2.6626   1.1890   2.8719 -155.4000  -0.01   0.27  -0.01  -0.02 
1 1 1    7   17    0 o   19.639   0.2240   32.724   0.0000   0.14   0.00   0.00   0.00 
1 1 1    7   17    1 o   57.488   0.3006   66.162 -42.1000   2.17   0.68  -0.48  -1.07 
1 1 1    7   17    2 o   8.7358   0.3301   12.705 -69.1000   0.02  -1.24   0.74   0.11 
1 1 1    7   17    3 o   20.334   1.5307   12.250   22.900   7.60  -2.28  -1.29   0.97 
1 1 1    7   17    4 o   15.778   0.1536   11.742 -97.3000  -0.74   0.71  -0.68   1.51 
1 1 1    7   17    5 o   44.637   1.0678   50.710   25.100   3.49   2.09  -0.14  -0.37 
1 1 1    7   17    6 o   31.388   0.9906   29.278  130.700  -4.52  10.09   2.27   2.11 
1 1 1    7   17    7 f   26.052   1.0543   10.073  100.800  -9.57   1.63  -2.09   0.56 
1 1 1    7   17    8 o   22.867   0.2143   19.550 -122.3000   0.17  -0.29  -0.09   0.33 
1 1 1    7   17    9 o   14.847   1.6699   22.027  164.800 -28.01  28.23   0.36  11.49 
1 1 1    7   17   10 o   40.529   1.3548   45.584   18.300   9.83  13.88   2.46  -5.06 
1 1 1    7   17   11 o   17.701   1.2625   20.186 -33.8000   9.85 -10.80   0.37   2.81 
1 1 1    7   17   12 o   14.124   1.1377   12.468 -177.0000 -14.56  -4.14  -3.08  -2.06 
1 1 1    7   17   13 o   29.554   0.1787   19.235 -136.9000  -0.14  -0.06   0.04  -0.04 
1 1 1    7   17   14 o   13.506   0.8140   6.9582  138.100  -6.84   7.00   0.23   2.65 
1 1 1    7   17   15 o   20.217   0.5989   22.388 -24.3000  -0.57  -3.07   0.63  -0.38 
1 1 1    7   17   16 o   16.269   0.8597   12.556 -40.4000   6.48  -8.13   1.41   4.17 
1 1 1    7   17   17 o   23.568   0.2960   19.768   83.300   1.76   3.27   0.55  -0.47 
1 1 1    7   17   18 o   12.166   0.8616   16.127  140.900  -2.65   7.52   2.34   1.41 
1 1 1    7   17   19 f   12.998   0.4573   11.766  132.600   0.49   3.23   1.88  -1.42 
1 1 1    7   17   20 o   18.449   0.2088   20.018  125.000   0.25   0.55   0.48   0.68 
1 1 1    7   17   21 o   11.377   0.2389   12.044  167.600  -0.01   0.08   0.00   0.01 
1 1 1    7   17   22 o   32.711   0.3854   35.005 -102.9000   0.19  -2.87  -3.86   1.36 
1 1 1    7   17   23 o   14.763   0.2084   14.700  140.300  -0.41   0.04   0.25  -0.25 
1 1 1    7   17   24 o   6.2835   0.4228   10.034   15.600   1.06   0.03  -0.41   1.40 
1 1 1    7   17   25 o   10.408   0.9490   14.973 -26.5000  12.70   8.64  -0.75  -3.49 
1 1 1    7   17   26 o   3.2649   0.7030   4.2450 -111.7000  -0.09  -0.05   0.01   0.02 
1 1 1    7   17   27 o   7.7242   0.8546   7.4343  138.700  -5.77   0.45  -1.03  -0.18 
1 1 1    7   17   28 o   5.4357   0.4970   3.7307   10.100   0.59   2.89   0.50  -0.77 
1 1 1    7   17   29 o   6.5806   0.4388   4.6019 -119.7000  -0.32  -0.32  -0.07   0.03 
1 1 1    7   17   30 o   8.1255   0.3811   10.685   31.700   2.96   1.13   0.48  -1.23 
1 1 1    7   17   31 o   4.6291   1.1168   2.9686 -84.1000  -1.37   0.36  -0.10  -0.01 
1 1 1    7   17   32 o   9.0251   0.4786   11.793  161.800  -1.96  -0.99   0.19  -0.28 
1 1 1    7   17   33 o   6.5133   0.5133   6.6200 -19.4000   0.78  -1.23  -0.13   0.23 
1 1 1    7   17   34 o   4.5351   1.1716   6.7042 -61.1000  -0.19  -0.99   0.02  -0.09 
1 1 1    7   19    0 o   19.852   0.1970   29.343   0.0000   0.22   0.00   0.00   0.00 
1 1 1    7   19    1 o   13.426   1.1751   9.8296   55.900  15.88  12.21  -1.09  -4.87 
1 1 1    7   19    2 f   33.058   0.5819   23.493   84.100   3.47   2.68  -0.44  -0.88 
1 1 1    7   19    3 o   8.1691   1.2742   8.7746 -103.6000  15.37 -15.16   0.04   4.78 
1 1 1    7   19    4 f   26.510   0.7037   20.602  165.700  -5.41   6.12   0.38   1.58 
1 1 1    7   19    5 o   19.616   0.8483   23.031 -29.8000   3.74   7.78   0.80  -1.16 
1 1 1    7   19    6 o   26.069   0.9607   27.651   98.700  -6.94   6.81  -0.35   2.51 
1 1 1    7   19    7 o   34.960   0.3231   30.999   31.900   1.71  -1.07  -0.05   0.44 
1 1 1    7   19    8 o   21.201   0.1472   15.346 -116.6000  -0.52  -0.13  -0.77   1.40 
1 1 1    7   19    9 o   35.890   0.7179   31.280  140.600  -8.46   8.71   0.73   3.60 
1 1 1    7   19   10 o   13.972   0.3322   17.586 -57.3000   1.50  -2.82   0.87   0.96 
1 1 1    7   19   11 o   36.652   0.3240   34.325 -129.4000  -1.04   0.94  -0.15   0.17 
1 1 1    7   19   12 o   21.488   0.7875   18.707 -80.8000   7.76  -7.20  -0.69   2.75 
1 1 1    7   19   13 o   11.048   0.3151   6.4257 -107.3000  -1.16  -0.49  -0.27  -0.16 
1 1 1    7   19   14 o   12.265   0.7115   12.466   58.200   9.18  -2.53  -2.46   1.90 
1 1 1    7   19   15 o   1.6046   0.7834   7.6004   31.300   0.28  -1.00   0.38   0.17 
1 1 1    7   19   16 o   6.2876   0.2858   1.9676 -59.5000   0.25  -0.18  -0.05   0.05 
1 1 1    7   19   17 o   10.960   0.2754   12.917 -59.1000   0.43  -1.16   0.07   0.09 
1 1 1    7   19   18 o   5.1303   0.5897   4.8337   18.600  -0.77  -1.90   0.19  -0.14 
1 1 1    7   19   19 o   8.7480   0.2546   7.2017  118.500  -0.60   0.13   0.04  -1.53 
1 1 1    7   19   20 o   8.7662   0.5755   7.1491 -89.0000  -4.19  -4.95  -0.28  -2.82 
1 1 1    7   19   21 o   3.6538   0.6111   7.1292 -118.4000  -0.80  -0.15  -0.11  -0.01 
1 1 1    7   19   22 o   13.506   0.3617   13.151  154.000  -6.92  -3.18  -0.96  -2.42 
1 1 1    7   19   23 f   9.0137   0.2850   12.437   75.900   0.05   0.31  -0.14   0.00 
1 1 1    7   19   24 o   10.630   0.2757   6.8698   7.4000   0.73  -0.75  -0.64  -0.76 
1 1 1    7   19   25 o   4.4347   0.4980   4.3122 -93.0000  -0.79  -0.57  -0.66   0.06 
1 1 1    7   19   26 f   8.8163   0.5270   4.4042  148.600  -1.42   0.61  -0.46  -0.24 
1 1 1    7   19   27 o   4.2285   0.7438   3.1414   36.600   2.35  -1.71   0.10   0.51 
1 1 1    7   19   28 o   8.9003   0.3378   7.4302 -43.3000  -1.72  -0.44  -0.18   0.07 
1 1 1    7   19   29 o   5.0803   0.5495   3.5480   39.200  -0.23   0.27   0.03  -0.03 
1 1 1    7   19   30 o   3.0308   0.8264   2.8217   46.200  -0.51   0.24  -0.09  -0.00 
1 1 1    7   19   31 o   7.6624   0.5578   5.5619 -171.2000  -0.73   0.16   0.07  -0.12 
1 1 1    7   21    0 o   10.909   0.2025   19.751  180.000   0.01   0.00   0.00   0.00 
1 1 1    7   21    1 o   15.938   0.3016   12.889  -2.7000   1.45   1.58   0.70  -1.21 
1 1 1    7   21    2 o   26.059   0.1682   26.711 -91.5000  -0.94  -0.44  -0.92   0.66 
1 1 1    7   21    3 o   13.983   0.1386   14.618 -11.4000   0.05  -0.03  -0.00  -0.03 
1 1 1    7   21    4 o   16.586   0.2762   17.153   31.200  -0.59   0.19  -0.14   0.02 
1 1 1    7   21    5 f   16.731   0.7710   19.875   63.200  -4.79   5.16  -0.11   1.53 
1 1 1    7   21    6 o   17.649   0.5673   15.483   78.200  -1.08   2.80   0.29   0.40 
1 1 1    7   21    7 o   18.164   0.7395   18.286 -141.5000  -3.64  -4.89   0.39  -0.76 
1 1 1    7   21    8 o   10.665   0.5013   4.5876 -29.3000   1.85   2.03  -0.02  -0.35 
1 1 1    7   21    9 o   12.260   0.6046   11.142  120.300   0.22   9.87   2.74  -0.53 
1 1 1    7   21   10 o   14.218   0.4299   10.162 -178.5000  -3.95  -3.19  -0.49  -1.06 
1 1 1    7   21   11 o   4.0038   0.3238   3.7488   3.6000  -0.39  -0.69  -1.01  -2.60 
1 1 1    7   21   12 o   20.360   0.4567   15.235 -138.2000  -0.31  -3.11   0.91   0.27 
1 1 1    7   21   13 f   22.396   0.8388   24.514  148.200  -6.96   3.00  -2.26   1.08 
1 1 1    7   21   14 o   12.253   0.1984   8.7400 -12.0000   3.51  -0.16  -0.92   0.41 
1 1 1    7   21   15 o   19.747   0.9572   21.438 -77.9000  13.13  -6.87  -2.41   2.19 
1 1 1    7   21   16 o   8.6459   0.2046   8.5362   25.500  -0.36  -0.22  -0.31   0.06 
1 1 1    7   21   17 o   6.4100   0.8538   3.3486   47.000   9.71  -5.64  -1.06   2.54 
1 1 1    7   21   18 f   6.5142   0.3059   2.2411   64.400   0.46  -0.15   0.04   0.19 
1 1 1    7   21   19 o   5.2819   0.3785   3.6218 -142.4000  -1.06   0.47   0.12   0.71 
1 1 1    7   21   20 o   4.3801   0.4266   4.9617 -123.2000  -0.95  -0.56  -0.18  -0.12 
1 1 1    7   21   21 o   8.5202   0.5144   2.9715 -23.8000   3.39   2.19  -0.96  -0.64 
1 1 1    7   21   22 o   5.7693   0.3732   7.5436  176.800  -0.32   0.46  -0.18  -0.29 
1 1 1    7   21   23 o   1.3885   0.9150   1.4836  -8.7000   0.74  -0.41  -0.36   0.02 
1 1 1    7   21   24 f   1.8597   0.9151   4.1382 -59.4000   0.13  -0.13  -0.01   0.01 
1 1 1    7   21   25 o   2.9157   0.6568   2.0026  111.400   0.07   0.45   0.05   0.06 
1 1 1    7   21   26 o   3.8746   0.5810   2.0884   74.500   0.16   0.12   0.00  -0.01 
1 1 1    7   21   27 o   4.5019   0.5287   5.4252 -46.3000   0.20  -0.26   0.06  -0.04 
1 1 1    7   21   28 o   4.9229   1.1242   3.2216   37.400   0.02  -0.50   0.01   0.01 
1 1 1    7   23    0 o   3.1305   0.4677   3.5801   0.0000  -0.04   0.00   0.00   0.00 
1 1 1    7   23    1 f   12.944   0.1411   5.7897   96.800  -0.81  -2.47   0.64  -2.14 
1 1 1    7   23    2 o   15.909   0.4790   13.916   77.400  -6.47   1.44  -1.51   1.35 
1 1 1    7   23    3 o   5.7532   0.6487   3.5412  108.900  -5.35   3.93  -0.46   1.12 
1 1 1    7   23    4 o   8.6495   0.3779   1.9522  -5.8000   0.22  -3.62   0.83  -0.06 
1 1 1    7   23    5 o   8.7248   0.5146   8.8817 -110.1000   3.08  -3.20  -0.10   0.81 
1 1 1    7   23    6 o   4.0266   0.5120   1.8788 -127.8000   0.60  -0.35  -0.01   0.03 
1 1 1    7   23    7 o   3.9140   0.2710   1.4644   10.200   1.75   0.46  -1.07  -0.27 
1 1 1    7   23    8 o   2.7418   0.4989   1.3645 -75.3000   2.41   0.12  -0.59   0.01 
1 1 1    7   23    9 o   1.8890   0.6772   1.1250 -113.2000   0.58  -0.24  -0.07   0.05 
1 1 1    7   23   10 o   3.4380   0.3271   4.8614 -69.9000   1.20  -0.07  -0.68  -0.24 
1 1 1    7   23   11 o   7.0825   0.1999   2.0782 -50.2000   0.08  -0.17  -0.01   0.04 
1 1 1    7   23   12 o   11.345   0.1603   15.031  110.000   0.61   1.94   0.01  -1.70 
1 1 1    7   23   13 o   6.4787   0.2450   7.6085   93.300   0.29  -0.22  -0.12  -0.42 
1 1 1    7   23   14 o   4.9391   0.2966   7.9848 -99.6000   0.34  -0.45  -0.64   0.20 
1 1 1    7   23   15 o   4.5528   0.3339   0.8764   22.200  -0.04  -0.10  -0.04  -0.01 
1 1 1    7   23   16 o   4.6636   0.6358   5.3383 -43.9000   4.51  -2.14  -0.39   0.79 
1 1 1    7   23   17 o   2.4377   0.5521   3.2078 -146.0000   0.33   0.29  -0.33   0.17 
1 1 1    7   23   18 o   5.8906   0.5387   5.6208 -21.4000   3.91  -0.96  -1.02   0.07 
1 1 1    7   23   19 o   4.3850   0.3910   3.3963  159.900  -0.63   0.86   0.28   0.11 
1 1 1    7   23   20 o   6.0679   0.3316   7.8299   80.200   0.12   0.78  -0.51   0.17 
1 1 1    7   23   21 o   7.0657   0.4131   7.3572 -56.3000   1.23   0.82   0.05  -0.16 
1 1 1    7   23   22 o   7.0788   0.3810   7.1448  162.300  -1.23   0.10  -0.08   0.11 
1 1 1    7   23   23 o   3.3194   0.9109   5.0927   95.800  -0.03   0.14   0.00  -0.00 
1 1 1    7   23   24 o   9.9652   0.5002   5.3022 -132.2000  -1.31   0.57  -0.20  -0.06 
1 1 1    7   25    0 o   17.587   0.1968   13.050  -0.0000  -0.16   0.00   0.00   0.00 
1 1 1    7   25    1 o   6.1596   0.2014   6.5128  -9.1000   0.29   0.10   0.25   0.13 
1 1 1    7   25    2 o   18.261   0.4798   15.923   72.700  -2.57   0.31  -0.22   0.67 
1 1 1    7   25    3 o   5.8572   0.1743   7.8221  113.500  -0.23   0.02  -0.01   0.04 
1 1 1    7   25    4 o   10.526   0.3186   8.7064  174.200  -0.93  -1.14  -0.36  -0.35 
1 1 1    7   25    5 o   5.9351   0.2894   7.5790 -109.6000  -0.14  -0.33  -0.19  -0.03 
1 1 1    7   25    6 o   8.3935   0.2274   9.7808 -149.0000   0.45   0.55   0.17   0.58 
1 1 1    7   25    7 o   5.6903   0.4859   0.9271   17.000   2.63   0.57  -0.67   0.00 
1 1 1    7   25    8 o   9.7713   0.2246   10.057 -54.3000  -0.44   0.63  -0.04   0.08 
1 1 1    7   25    9 o   2.2793   0.6175   1.5054 -86.3000  -0.02  -0.31   0.05   0.04 
1 1 1    7   25   10 o   3.8291   0.4770   0.6821 -49.1000  -1.02  -0.95   0.15  -0.27 
1 1 1    7   25   11 o   1.7878   0.7093   2.0777   56.400   0.11  -0.27   0.06  -0.02 
1 1 1    7   25   12 f   3.2657   0.2626   1.1251  167.000  -0.86  -0.39  -0.21  -0.08 
1 1 1    7   25   13 o   1.8840   0.4784   1.4458  111.400  -0.60  -0.11  -0.17   0.04 
1 1 1    7   25   14 o   4.7607   0.2591   5.2461   3.3000   0.25  -0.04  -0.00   0.04 
1 1 1    7   25   15 f   3.6437   0.3656   5.7272 -18.6000  -0.02   0.36  -0.24  -0.03 
1 1 1    7   25   16 o   5.1407   0.3044   1.4983   23.600   0.06  -0.48  -0.15   0.15 
1 1 1    7   25   17 o   3.2327   0.5933   1.2303   17.800   0.41  -0.05  -0.03  -0.01 
1 1 1    7   25   18 o   6.1082   0.2796   4.6365  152.400  -0.03   0.44   0.00   0.12 
1 1 1    7   25   19 o   4.8201   0.4587   3.4714  109.700  -0.65   0.14  -0.11  -0.10 
1 1 1    7   27    0 o   9.4921   0.1910   8.6894 -180.0000  -0.12   0.00   0.00   0.00 
1 1 1    7   27    1 o   7.4697   0.3612   2.7089  123.700  -1.24  -1.87   0.13  -0.14 
1 1 1    7   27    2 o   2.9037   0.5140   1.5397   49.400  -0.73   0.39   0.00   0.14 
1 1 1    7   27    3 o   7.5699   0.2675   3.5014   73.800   0.18  -0.11   0.01   0.01 
1 1 1    7   27    4 o   11.548   0.1920   9.9049   11.000   1.06   0.96   0.43  -0.20 
1 1 1    7   27    5 o   12.388   0.3491   9.7826 -162.5000  -0.53  -0.39  -0.13   0.06 
1 1 1    7   27    6 o   5.8425   0.3066   6.0390  148.700   0.01  -0.07  -0.00   0.01 
1 1 1    7   27    7 o   9.0391   0.3215   10.582 -54.3000   0.15  -0.13   0.01   0.01 
1 1 1    7   27    8 o   5.3570   0.3450   6.8692 -111.9000  -0.14   0.16  -0.04  -0.06 
1 1 1    7   27    9 o   4.9769   0.3947   8.2338   73.500   0.35   0.36  -0.08  -0.05 
1 1 1    7   27   10 o   5.4876   0.5229   3.7647  137.600  -0.15   0.40  -0.02   0.05 
1 1 1    7   27   11 o   4.7729   0.6734   5.1908  153.700   0.07  -0.24  -0.02  -0.03 
1 1 1    8    0    0 o   29.742   0.2864   12.855   0.0000   0.50   0.00   0.00   0.00 
1 1 1    8    0    1 o   4.2190   0.3491   11.636   90.000  -0.00  -0.01   0.00   0.00 
1 1 1    8    0    2 o   49.710   0.3168   56.765  180.000  -0.59   0.00   0.00   0.00 
1 1 1    8    0    3 o   10.296   0.1672   1.3425 -90.0000  -0.00  -0.02   0.00   0.00 
1 1 1    8    0    4 o   56.656   0.3482   50.613   0.0000   0.00   0.00   0.00   0.00 
1 1 1    8    0    5 o   9.6850   0.1923   21.649   90.000   0.00   0.13   0.00   0.00 
1 1 1    8    0    6 o   13.401   0.1658   19.281  180.000  -0.26   0.00   0.00   0.00 
1 1 1    8    0    7 o   54.346   0.3374   36.598 -90.0000  -0.00  -0.90   0.00   0.00 
1 1 1    8    0    8 o   13.153   0.2095   3.0049  -0.0000   0.21   0.00   0.00   0.00 
1 1 1    8    0    9 o   93.030   0.5386   88.797   90.000   0.00   1.82   0.00   0.00 
1 1 1    8    0   10 o   31.415   0.2385   21.160   0.0000  -0.26   0.00   0.00   0.00 
1 1 1    8    0   11 o   38.735   0.2616   36.502   90.000  -0.00  -0.24   0.00   0.00 
1 1 1    8    0   12 o   10.817   0.2086   2.5553   0.0000   0.10   0.00   0.00   0.00 
1 1 1    8    0   13 o   49.660   0.3231   42.278 -90.0000  -0.00  -0.17   0.00   0.00 
1 1 1    8    0   14 o   31.840   0.2508   60.584   0.0000  -0.20   0.00   0.00   0.00 
1 1 1    8    0   15 o   6.0992   0.3337   12.099 -90.0000   0.00   0.01   0.00   0.00 
1 1 1    8    0   16 o   20.555   0.2285   27.520  180.000   0.06   0.00   0.00   0.00 
1 1 1    8    0   17 o   16.796   0.3270   16.481 -90.0000   0.00   0.08   0.00   0.00 
1 1 1    8    0   18 o  103.688   0.5955   82.326  180.000  -0.55   0.00   0.00   0.00 
1 1 1    8    0   19 o   37.930   0.2761   29.842 -90.0000  -0.00  -0.06   0.00   0.00 
1 1 1    8    0   20 o   48.063   0.3429   26.959   0.0000   0.03   0.00   0.00   0.00 
1 1 1    8    0   21 o   18.240   0.2887   22.161   90.000  -0.00  -0.09   0.00   0.00 
1 1 1    8    0   22 o   67.922   0.4447   61.478  180.000   0.10   0.00   0.00   0.00 
1 1 1    8    0   23 o   4.8888   0.7387   16.616 -90.0000  -0.00  -0.00   0.00   0.00 
1 1 1    8    0   24 o   43.571   0.3495   40.799  -0.0000   0.12   0.00   0.00   0.00 
1 1 1    8    0   25 o   6.7380   0.6778   8.5342 -90.0000   0.00   0.05   0.00   0.00 
1 1 1    8    0   26 o   6.2370   0.6501   14.792   0.0000   0.10   0.00   0.00   0.00 
1 1 1    8    0   27 f   8.3905   0.5208   14.563   90.000  -0.00  -0.14   0.00   0.00 
1 1 1    8    0   28 o   8.7579   0.5973   20.297 -180.0000  -0.35   0.00   0.00   0.00 
1 1 1    8    0   29 f   3.8471   0.9212   5.9527   90.000   0.00   0.14   0.00   0.00 
1 1 1    8    0   30 f   6.6257   0.6748   6.4812   0.0000   0.03   0.00   0.00   0.00 
1 1 1    8    0   31 o   6.7971   0.6790   11.650 -90.0000  -0.00  -0.21   0.00   0.00 
1 1 1    8    0   32 o   6.3561   0.7357   0.3977  180.000  -0.01   0.00   0.00   0.00 
1 1 1    8    0   33 o   4.1833   1.0660   0.0407   90.000   0.00   0.04   0.00   0.00 
1 1 1    8    0   34 o   2.9326   1.3125   5.4092   0.0000   0.22   0.00   0.00   0.00 
1 1 1    8    0   35 o   9.5289   0.5027   3.0023   90.000  -0.00  -0.16   0.00   0.00 
1 1 1    8    0   36 o   8.1486   0.6304   3.8542  180.000  -0.46   0.00   0.00   0.00 
1 1 1    8    0   37 o   7.0781   0.7035   6.1714   90.000   0.00   0.07   0.00   0.00 
1 1 1    8    0   38 f   3.0822   1.1765   0.9345   0.0000   0.12   0.00   0.00   0.00 
1 1 1    8    0   39 o   9.2574   0.6495   5.1180 -90.0000   0.00   0.47   0.00   0.00 
1 1 1    8    0   40 o   0.0000   3.4929   0.5726  180.000  -0.12   0.00   0.00   0.00 
1 1 1    8    0   41 o   4.6797   0.8921   2.5200 -90.0000  -0.00  -0.27   0.00   0.00 
1 1 1    8    0   42 o   1.9748   1.9912   4.2850  180.000   0.04   0.00   0.00   0.00 
1 1 1    8    2    0 f   11.743   0.1638   31.016   0.0000   0.10   0.00   0.00   0.00 
1 1 1    8    2    1 o   70.366   0.6495   62.074  169.900  -1.05   1.74   2.06  -0.31 
1 1 1    8    2    2 o   34.602   2.0935   55.036  118.600   1.22   7.18   1.59  -0.32 
1 1 1    8    2    3 o   47.533   3.6177   29.777  119.900   6.64  36.77  11.94  -3.12 
1 1 1    8    2    4 o   15.604   1.0440   18.920 -124.5000  -3.49  -6.33   3.84  -4.71 
1 1 1    8    2    5 o   19.214   2.2112   8.0579 -44.2000   5.60 -16.94   4.43   3.71 
1 1 1    8    2    6 o   72.326   0.6512   67.165 -115.9000  -1.36  -2.06  -6.55   3.14 
1 1 1    8    2    7 o   39.247   1.9691   29.285 -96.2000  14.23  -5.04  -6.62   7.92 
1 1 1    8    2    8 o   80.191   3.2379   87.952   61.700  17.66   7.19  -6.82  -3.61 
1 1 1    8    2    9 o   27.785   4.5178   9.1925   39.000 -24.07  46.95   8.45  10.69 
1 1 1    8    2   10 o   35.873   3.0825   23.896   15.900  13.51  29.56   4.99  -5.01 
1 1 1    8    2   11 o   12.189   0.8591   25.735 -172.8000  -2.41 -10.87  12.61  -6.60 
1 1 1    8    2   12 o   34.153   0.9826   23.481 -171.1000  -0.73  -4.24   0.79  -0.22 
1 1 1    8    2   13 o   61.530   2.1884   70.103  110.500   0.86  17.87   4.26  -0.76 
1 1 1    8    2   14 o   43.471   0.6721   53.379   20.600   1.17   0.78  -0.06  -0.31 
1 1 1    8    2   15 o   95.055   0.4078   90.534   30.000  -0.55   2.65   0.74   0.97 
1 1 1    8    2   16 o   33.274   0.1903   40.270 -150.7000   0.27  -0.33   0.05   0.11 
1 1 1    8    2   17 o   71.703   0.3756   68.144 -79.8000   0.06  -0.22   0.01   0.00 
1 1 1    8    2   18 o   45.425   0.5657   39.934  174.100  -1.15   3.69   1.67   0.76 
1 1 1    8    2   19 o   39.312   0.4431   19.080 -23.8000  -0.47   0.28  -0.45   0.25 
1 1 1    8    2   20 o   23.705   0.6338   30.409 -31.1000   6.29   3.44  -1.10  -1.55 
1 1 1    8    2   21 f   34.844   0.5724   30.461 -175.5000  -3.95   5.02   0.67   1.98 
1 1 1    8    2   22 o   10.286   0.5860   21.418 -51.6000  -2.76  -3.50   0.26  -1.27 
1 1 1    8    2   23 o   27.581   0.8003   26.307 -79.4000   1.76  -2.46   0.15   1.03 
1 1 1    8    2   24 o   48.499   0.5621   35.837  127.100  -0.18   2.73   1.32   0.93 
1 1 1    8    2   25 o   37.013   0.7113   23.335   44.200   0.65   5.08   1.91  -0.07 
1 1 1    8    2   26 o   11.986   1.4686   16.093   37.900  13.98  -2.94  -2.48   0.99 
1 1 1    8    2   27 o   34.450   0.2255   11.395   95.800  -6.89  -0.31  -3.30  -1.06 
1 1 1    8    2   28 o   17.983   1.3820   10.347 -121.5000 -30.77 -13.09  -5.50  -6.35 
1 1 1    8    2   29 o   18.334   0.5430   21.470 -170.0000  -2.47  -1.91  -1.06  -1.68 
1 1 1    8    2   30 o   0.6414   1.0294   4.1882  138.200  -0.39   0.06  -0.23   0.33 
1 1 1    8    2   31 o   16.186   0.2645   14.846  165.600  -0.77  -0.10   1.53  -0.77 
1 1 1    8    2   32 o   4.8185   1.3125   4.8408   82.300  -1.51   1.10  -0.08   0.15 
1 1 1    8    2   33 o   7.6676   0.4483   12.031  -0.2000   0.57   0.72   0.08  -0.09 
1 1 1    8    2   34 o   3.6200   0.7759   4.5150 -88.7000   0.11  -0.26   0.07  -0.04 
1 1 1    8    2   35 o   8.9116   0.3982   5.1866 -25.7000  -0.51   0.28   0.32  -0.01 
1 1 1    8    2   36 o   4.3218   0.9678   1.9031   53.300   0.64  -1.02   0.15   0.07 
1 1 1    8    2   37 o   5.1494   1.3221   4.4173 -15.9000  -0.15  -3.44   0.47  -0.30 
1 1 1    8    2   38 o   9.2250   0.4032   6.2784 -119.5000  -1.19  -1.61   0.53   0.39 
1 1 1    8    2   39 o   9.9097   0.4557   8.1719  122.200  -1.84   0.81   0.15  -0.51 
1 1 1    8    2   40 o   2.4562   1.1933   5.6954   41.300  -0.06   0.01  -0.00   0.00 
1 1 1    8    2   41 o   3.9997   0.8776   3.9298 -116.4000   0.20   0.29   0.01   0.04 
1 1 1    8    2   42 f   6.5034   1.8264   4.7085  136.700  -0.24   0.50  -0.01  -0.00 
1 1 1    8    4    0 o   25.466   0.1948   20.578  -0.0000  -0.20   0.00   0.00   0.00 
1 1 1    8    4    1 o   28.207   4.7046   34.985 -136.0000  -9.20 -65.10  13.77  -4.54 
1 1 1    8    4    2 o   33.332   3.0170   7.4423  -7.7000   6.19  20.87   5.99  -3.16 
1 1 1    8    4    3 o   26.369   0.1852   23.201   20.700   0.79  -1.44   0.57   0.48 
1 1 1    8    4    4 f   66.840   2.2842   60.041 -157.0000   0.13 -12.24   6.19   2.29 
1 1 1    8    4    5 f   56.459   1.2286   62.322 -163.7000  -2.67   2.35  -0.22   0.52 
1 1 1    8    4    6 o   13.501   1.8606   21.755  140.800 -10.37   9.72  -0.48   4.32 
1 1 1    8    4    7 f   50.216   2.1513   46.600  115.400  -2.35  12.99   5.37   0.79 
1 1 1    8    4    8 o   45.918   0.8298   33.875   75.300  -4.54   2.01  -0.20  10.10 
1 1 1    8    4    9 o   43.566   0.6559   36.732 -19.7000   0.42   1.87   0.39  -0.04 
1 1 1    8    4   10 o   39.045   3.4925   60.902 -74.8000  43.38 -43.33   0.45  16.99 
1 1 1    8    4   11 o   61.248   1.3696   56.919 -132.8000  -2.39  -6.04   1.15  -0.84 
1 1 1    8    4   12 o   37.671   1.3927   36.646 -31.9000   2.65  -6.31   0.97   1.15 
1 1 1    8    4   13 o   32.445   0.9374   44.786  130.100   8.73   7.51  -0.49  -7.45 
1 1 1    8    4   14 o   40.372   1.1068   45.215   33.600   4.40   4.23   0.10  -1.78 
1 1 1    8    4   15 f   73.583   1.9866   69.890   40.900  10.33   3.76  -1.99  -1.32 
1 1 1    8    4   16 o   65.198   1.5729   72.367 -164.5000  -7.39   4.56  -0.62   1.66 
1 1 1    8    4   17 f   34.725   0.6592   46.322   20.100   1.71   3.78   1.26  -1.14 
1 1 1    8    4   18 o   29.452   0.8862   29.802  103.000  -7.01  -0.24  -3.19  -0.49 
1 1 1    8    4   19 o   27.187   1.2569   19.631 -105.2000  -9.72  -9.35   0.02  -4.23 
1 1 1    8    4   20 o   17.754   0.2267   20.184 -17.0000  -0.24  -0.09  -0.15  -0.37 
1 1 1    8    4   21 o   28.881   0.3822   24.715 -100.3000   2.34  -1.05  -3.74   2.38 
1 1 1    8    4   22 f   13.498   0.2359   5.1964 -29.6000  -0.81  -0.35  -0.73  -0.44 
1 1 1    8    4   23 o   12.604   0.7195   10.309   98.600   1.26   1.51   0.04  -0.38 
1 1 1    8    4   24 o   29.536   1.0201   22.117  -9.1000   1.04   2.52   0.40  -0.28 
1 1 1    8    4   25 o   17.761   0.2262   15.759 -62.2000   0.09  -0.43   0.09   0.08 
1 1 1    8    4   26 o   0.0000   2.1033  ?   ?   -0.19  -0.02  -0.22  -0.11 
1 1 1    8    4   27 o   9.5722   1.8271   10.337 -108.6000   0.14 -28.17   8.46  -0.15 
1 1 1    8    4   28 o   10.032   0.3330   8.2148  149.200  -1.78  -0.16  -3.78   1.20 
1 1 1    8    4   29 o   29.929   1.0884   23.082   99.700   2.53  12.44   3.89  -2.60 
1 1 1    8    4   30 o   13.113   1.2062   19.139  158.900 -15.42  -5.57  -2.66  -2.74 
1 1 1    8    4   31 o   11.205   0.4083   3.4688 -10.8000  -0.09   0.91   0.27  -0.10 
1 1 1    8    4   32 o   0.0000   2.1083  ?   ?   -0.15  -0.39   0.06  -0.26 
1 1 1    8    4   33 o   10.309   0.3840   11.543  164.500  -1.71   0.75   0.08   1.02 
1 1 1    8    4   34 o   6.4059   0.4989   4.0430   90.700   0.14   0.78   0.06  -0.22 
1 1 1    8    4   35 f   7.3915   0.9325   1.6253  120.800   1.99  -3.54   0.62   0.45 
1 1 1    8    4   36 o   8.0841   0.4443   7.3431 -31.9000   0.59  -1.14   0.31  -0.60 
1 1 1    8    4   37 o   8.6461   0.4086   8.7262 -92.3000   0.05  -0.45  -0.05   0.05 
1 1 1    8    4   38 o   0.8895   1.1827   2.4936   27.800  -0.41  -0.10   0.08  -0.02 
1 1 1    8    4   39 o   9.9113   0.3904   12.309   56.100   0.17   1.11  -0.17   0.11 
1 1 1    8    4   40 o   2.3930   1.0837   0.8921  127.000   0.20   0.32   0.02   0.03 
1 1 1    8    4   41 o   0.4515   1.2407   1.8901  171.800  -0.02  -0.12  -0.00   0.00 
1 1 1    8    6    0 o   4.6152   0.3327   0.1930  180.000   0.03   0.00   0.00   0.00 
1 1 1    8    6    1 o   80.307   2.8293   83.593   40.100   3.39  20.57  10.78  -0.16 
1 1 1    8    6    2 o   10.681   0.1488   8.6403 -161.9000  -0.17   1.52   2.78  -0.13 
1 1 1    8    6    3 o   93.805   0.3812   80.074 -90.7000  -5.34  -2.24  -0.97  -0.38 
1 1 1    8    6    4 f   13.410   1.6595   4.5861   32.900   3.32 -11.66   2.93   1.64 
1 1 1    8    6    5 o   7.2403   1.2417   12.033   29.200   8.80  -4.96  -2.35   4.34 
1 1 1    8    6    6 o   33.011   3.6064   27.463 -167.9000 -56.50  23.41  -8.52   8.86 
1 1 1    8    6    7 o   29.240   3.2740   24.149  125.300 -48.22  49.72   0.91  18.45 
1 1 1    8    6    8 o   49.096   2.0056   44.470   88.000 -18.55  11.17  -8.24  12.58 
1 1 1    8    6    9 o   25.395   1.7126   13.007  133.100 -14.24  -3.70  -4.16  -2.54 
1 1 1    8    6   10 o   30.278   3.1430   29.135 -114.6000  -6.05 -40.96  10.73  -2.94 
1 1 1    8    6   11 o   59.297   0.5071   58.608 -91.6000  -7.43  -2.38  -1.89  -1.02 
1 1 1    8    6   12 o  103.852   0.6016   98.613 -62.6000 -10.96 -18.20   3.06 -10.76 
1 1 1    8    6   13 o   39.308   0.6636   40.013  136.200  -0.42   1.89   0.83   0.62 
1 1 1    8    6   14 o   43.762   1.7193   35.029 -172.5000  -7.83  -6.84  -0.17  -2.61 
1 1 1    8    6   15 o   33.258   0.9548   23.294  103.200   0.49   2.80   0.43  -0.20 
1 1 1    8    6   16 o   13.140   1.7944   16.287  169.300 -10.71  -1.05  -2.00  -0.36 
1 1 1    8    6   17 o   32.851   1.0759   30.387   27.300   0.28   8.97   3.82   0.07 
1 1 1    8    6   18 o   40.209   1.1014   52.171   30.200   9.86   5.24  -1.75  -2.27 
1 1 1    8    6   19 o   17.566   0.7857   12.925  138.300  -0.91  11.13   3.95   0.51 
1 1 1    8    6   20 o   11.087   0.2652   8.2480  -4.9000   0.05   0.67   1.00   0.05 
1 1 1    8    6   21 o   21.656   0.9104   20.491 -132.4000  -1.88  -2.67   0.33  -0.67 
1 1 1    8    6   22 o   26.800   0.8412   36.642   92.200  -1.92   1.68  -0.14   0.48 
1 1 1    8    6   23 o   30.629   0.2435   21.660 -101.5000   1.04  -0.90  -0.71   0.93 
1 1 1    8    6   24 o   46.044   0.8641   38.099 -173.0000  -6.43  10.15   2.68   3.69 
1 1 1    8    6   25 o   15.468   0.9326   15.302 -20.1000   9.72  -7.62  -0.72   3.85 
1 1 1    8    6   26 o   38.169   0.6738   35.277 -48.0000  -2.87  -4.71   0.56  -3.99 
1 1 1    8    6   27 o   24.921   0.9775   22.744   4.8000  21.97  18.78  -0.61  -8.87 
1 1 1    8    6   28 o   10.800   1.0691   11.741   20.800  11.65   6.02  -2.54  -3.11 
1 1 1    8    6   29 o   26.752   0.4156   30.118  142.600 -10.78  -3.08  -4.18  -5.83 
1 1 1    8    6   30 o   8.6253   0.9175   3.2321 -100.0000  -1.43  -3.53   0.37  -0.49 
1 1 1    8    6   31 o   4.2512   0.7173   6.6225 -76.0000   1.26  -0.35  -0.50   0.02 
1 1 1    8    6   32 o   6.1999   0.5326   7.6930 -156.3000  -0.34   0.12   0.18   0.15 
1 1 1    8    6   33 f   3.2362   1.1859   5.7456   69.800  -0.10   1.58   0.43  -0.14 
1 1 1    8    6   34 f   3.7107   0.7913   4.6353   40.600  -0.21   0.55  -0.02   0.15 
1 1 1    8    6   35 o   7.5389   0.4271   7.9325  175.300   0.78  -0.13   0.46  -0.10 
1 1 1    8    6   36 o   4.6137   0.7208   3.9362  162.400  -0.47  -0.19   0.05   0.14 
1 1 1    8    6   37 o   4.3532   0.7325   5.2710  -4.1000   0.39  -0.06   0.05  -0.00 
1 1 1    8    6   38 f   5.8894   0.6536   6.8709  -9.8000   1.08   0.74   0.09  -0.10 
1 1 1    8    6   39 o   0.0000   2.4085  ?   ?    0.14   0.12  -0.01   0.02 
1 1 1    8    6   40 o   1.9363   1.2519   4.2196  163.100  -0.15  -0.20   0.02   0.00 
1 1 1    8    8    0 o   50.243   0.3174   46.321  180.000  -0.29   0.00   0.00   0.00 
1 1 1    8    8    1 o   64.807   0.2863   65.986   97.600   0.13   2.60   0.93  -0.36 
1 1 1    8    8    2 o   19.732   0.1217   13.233 -73.6000  -0.87   0.11  -4.08   4.29 
1 1 1    8    8    3 o   68.648   1.3353   65.031 -25.7000  -2.40 -20.73  10.88  -4.02 
1 1 1    8    8    4 o   28.648   2.7147   33.980   85.200 -12.92  36.98   9.28   7.80 
1 1 1    8    8    5 o   45.339   2.3058   62.202 -131.6000  -3.73 -15.74   3.71  -1.59 
1 1 1    8    8    6 o   58.789   0.3751   59.891 -129.3000  -1.23   0.74  -0.03   1.07 
1 1 1    8    8    7 f   48.625   0.8988   62.781  -4.6000   7.83 -13.37   2.22   3.39 
1 1 1    8    8    8 o   47.996   0.2197   43.126  117.000   4.27  -0.30  -1.10   0.31 
1 1 1    8    8    9 f   20.649   0.9700   14.531 -110.7000   4.70 -12.43  14.72  15.20 
1 1 1    8    8   10 o   56.093   1.1080   63.940 -26.2000  -0.17  -0.24   0.53   0.40 
1 1 1    8    8   11 o   15.300   0.3351   22.373 -173.7000   1.65  -4.93   4.60   2.97 
1 1 1    8    8   12 o   39.874   1.0261   44.521   14.900   5.66  -2.16  -0.86   0.89 
1 1 1    8    8   13 o   48.185   0.2218   63.319  175.400   0.02   0.53   0.40  -0.45 
1 1 1    8    8   14 o   26.742   1.9838   24.184  157.700 -15.58   5.27  -2.88   2.35 
1 1 1    8    8   15 o   50.889   0.2816   45.964   11.000   0.87  -2.82   1.29   0.50 
1 1 1    8    8   16 o   62.012   0.2883   63.706 -119.4000   0.29  -0.30   0.16   0.14 
1 1 1    8    8   17 o   10.246   1.1619   5.7018 -108.1000  12.15   1.29  -2.93  -0.68 
1 1 1    8    8   18 o   5.4171   0.4382   8.9209  179.700   0.10  -0.13   0.10   0.19 
1 1 1    8    8   19 o   25.037   1.1477   36.255 -153.7000  -3.10  -3.25   0.14  -0.91 
1 1 1    8    8   20 f   32.105   1.1816   26.306   36.900   7.78  -0.48  -2.11   0.52 
1 1 1    8    8   21 o   39.864   0.6266   45.104   70.200   2.45   0.93  -0.49  -0.26 
1 1 1    8    8   22 o   9.5349   0.7420   15.648   53.200   4.67   0.16  -2.17  -0.30 
1 1 1    8    8   23 o   29.601   0.4435   28.764 -149.9000  -2.56   1.24  -0.85   3.53 
1 1 1    8    8   24 o   37.847   0.5833   30.313 -173.8000  -6.84  -3.39  -1.07  -2.08 
1 1 1    8    8   25 o   35.447   0.8536   28.860 -79.8000   2.27  -8.26   3.27   0.96 
1 1 1    8    8   26 f   9.9062   0.6423   8.1745 -138.4000  -4.36   4.28   0.27   2.79 
1 1 1    8    8   27 o   29.624   0.2929   25.482   43.600  -2.17   2.68  -0.09   0.96 
1 1 1    8    8   28 o   8.4851   1.0514   21.084 -57.2000   1.85  -7.12   1.59   0.66 
1 1 1    8    8   29 o   14.554   0.2671   8.5626  143.800  -0.20  -0.34  -0.49   0.10 
1 1 1    8    8   30 o   1.9649   1.0231   2.7528  -1.7000   0.18  -0.65   0.10   0.03 
1 1 1    8    8   31 o   16.984   0.5610   17.379 -150.7000  -3.91  -4.51   1.33  -1.95 
1 1 1    8    8   32 o   0.0000   2.2913  ?   ?    0.00   0.23  -0.04  -0.16 
1 1 1    8    8   33 o   9.4147   0.3605   8.3303   49.300  -0.13  -0.76  -0.06  -0.32 
1 1 1    8    8   34 o   7.6205   0.4709   7.3140 -86.0000  -0.30  -0.65  -0.03   0.30 
1 1 1    8    8   35 o   5.2656   0.7073   6.6582  100.500   0.24   1.06   0.04  -0.12 
1 1 1    8    8   36 o   4.7972   0.6345   3.6304   66.200   0.04  -0.14  -0.01  -0.00 
1 1 1    8    8   37 f   8.3421   0.6035   10.031 -51.0000   0.76  -3.34   0.59  -0.43 
1 1 1    8    8   38 o   3.3925   0.9488   1.1080  160.900   0.45   0.15   0.03  -0.02 
1 1 1    8    8   39 f   8.3606   0.4579   7.7808  148.300  -1.52  -0.64   0.12  -0.13 
1 1 1    8    8   40 o   5.9414   0.8658   2.8340  151.100  -0.39   0.37   0.00   0.00 
1 1 1    8   10    0 o   43.528   0.3148   64.663  180.000  -0.64   0.00   0.00   0.00 
1 1 1    8   10    1 o   18.296   0.5037   30.665 -62.2000  -0.43  -1.14   0.14  -0.14 
1 1 1    8   10    2 o   18.753   1.6820   21.872  101.100   4.66  17.38   5.41  -2.93 
1 1 1    8   10    3 o   40.373   0.1919   61.081  151.000  -0.13  -0.93   0.58  -0.49 
1 1 1    8   10    4 o   34.306   1.5851   44.073  125.600  -6.09   6.67   0.19   1.42 
1 1 1    8   10    5 o   45.134   1.5946   50.330 -25.2000  15.30   4.94  -3.31  -2.12 
1 1 1    8   10    6 o   29.636   3.3545   41.437   60.700  -7.28  37.50   9.39   4.06 
1 1 1    8   10    7 o   63.738   3.4390   43.575  -1.2000  30.13   4.41  -7.62  -2.81 
1 1 1    8   10    8 o   45.451   1.2357   50.777 -42.0000  -0.48  -3.62   2.27  -0.15 
1 1 1    8   10    9 o   48.439   1.7484   42.141  155.600  -4.51  -1.62  -0.80  -0.84 
1 1 1    8   10   10 o   65.198   0.9684   62.474   11.700   8.02   3.43  -1.10  -0.95 
1 1 1    8   10   11 o   69.655   1.6240   74.972 -89.0000  -3.17  -0.87  -1.85  -2.72 
1 1 1    8   10   12 f   51.992   1.2857   65.782  179.300 -21.52   8.71  -3.78   4.09 
1 1 1    8   10   13 o   51.748   2.7563   64.407   11.400  48.10  12.58 -10.35  -6.36 
1 1 1    8   10   14 o   17.010   0.8731   16.858   88.900  -4.76   6.95   0.89   2.55 
1 1 1    8   10   15 o   65.880   1.2291   65.216   98.900 -16.53   6.72  -7.74   5.66 
1 1 1    8   10   16 o   47.572   0.6320   39.433 -146.1000   2.99  -5.75   1.68   3.58 
1 1 1    8   10   17 o   50.499   1.6197   56.061  164.900 -13.91  -1.76  -3.66  -0.43 
1 1 1    8   10   18 o   35.285   0.1951   30.498   9.8000   1.02  -1.22   2.05   1.65 
1 1 1    8   10   19 o   32.225   1.3509   26.122 -89.2000  -6.78  -5.91  -0.04  -2.57 
1 1 1    8   10   20 o   7.2756   0.3850   13.426 -119.2000   0.08  -0.10   0.02   0.03 
1 1 1    8   10   21 o   9.0496   0.4928   6.6331   67.500  -2.63  -0.46  -0.81  -0.23 
1 1 1    8   10   22 o   18.799   0.7342   16.929 -138.6000  -3.18  -2.62  -0.07  -0.59 
1 1 1    8   10   23 o   14.677   0.9153   20.598 -69.4000   6.64  -6.12  -0.05   2.58 
1 1 1    8   10   24 o   6.8772   0.3847   12.264 -95.0000   0.54  -1.64   1.08   1.27 
1 1 1    8   10   25 o   15.662   0.6005   15.515  155.100  -0.39   4.48   1.57   0.03 
1 1 1    8   10   26 o   23.699   0.4880   14.183  115.800  -0.96   1.12   0.29   0.31 
1 1 1    8   10   27 o   14.059   0.5933   14.242 -16.8000   7.67   5.11  -0.78  -3.71 
1 1 1    8   10   28 o   9.1783   0.3670   9.3457 -38.2000   0.65  -0.13   2.58  -1.57 
1 1 1    8   10   29 o   6.3891   0.5083   3.0332  132.900  -2.13  -0.66  -0.48  -0.85 
1 1 1    8   10   30 o   9.1190   0.4703   5.2968 -169.1000  -3.35  -0.56  -1.18  -1.21 
1 1 1    8   10   31 o   1.7732   1.0468   1.8930  159.300   0.11  -0.27   0.01   0.01 
1 1 1    8   10   32 o   6.6802   0.4750   9.6910   41.500   0.45  -0.41   0.24  -0.51 
1 1 1    8   10   33 o   5.5663   0.5953   5.3087 -109.5000   0.18  -0.82  -0.22   0.26 
1 1 1    8   10   34 o   9.3843   0.5176   7.2199 -135.6000  -3.17  -5.07   1.76  -0.90 
1 1 1    8   10   35 o   9.6006   0.3956   8.5089   89.900   0.32   1.55  -0.60   0.15 
1 1 1    8   10   36 o   2.4472   1.1638   2.7015 -29.4000  -0.56  -0.67  -0.04  -0.08 
1 1 1    8   10   37 o   4.6086   0.7017   2.5143 -114.5000   0.19  -0.53  -0.01  -0.07 
1 1 1    8   10   38 o   6.1353   0.5436   6.6318   96.600  -0.13  -0.03   0.00   0.00 
1 1 1    8   10   39 o   5.1478   1.1035   2.9934   74.100  -0.11   0.26   0.00  -0.01 
1 1 1    8   12    0 o   27.689   0.2061   20.528  180.000  -0.15   0.00   0.00   0.00 
1 1 1    8   12    1 o   24.081   1.8867   13.790 -69.0000   9.69  -6.30  -0.91   2.26 
1 1 1    8   12    2 o   18.398   0.8000   1.0356 -82.5000  -3.02   0.38  -0.80   0.25 
1 1 1    8   12    3 o   18.142   1.7612   20.036 -131.3000  15.46 -21.22   3.57  12.16 
1 1 1    8   12    4 o   50.299   1.6199   48.656   99.600  -0.53   5.85   0.95   0.26 
1 1 1    8   12    5 o   62.610   0.7963   63.874   5.2000   6.91 -10.63   4.90   7.47 
1 1 1    8   12    6 o   16.784   0.4118   25.353  -0.9000   0.87   0.72  -0.04  -0.56 
1 1 1    8   12    7 o   19.627   1.3694   15.560 -164.2000 -16.62  11.00  -1.79   4.46 
1 1 1    8   12    8 o   29.702   1.5889   21.341  -9.5000  24.35 -20.61  -1.17   8.39 
1 1 1    8   12    9 o   19.578   0.5157   19.905   92.100  -2.34   0.62  -0.84   0.40 
1 1 1    8   12   10 o   75.419   2.0417   81.617 -127.2000   3.41 -29.11   7.94   2.65 
1 1 1    8   12   11 o   26.865   1.0785   31.133 -86.1000   3.76  -6.58   0.76   1.44 
1 1 1    8   12   12 o   22.967   1.1455   23.612   59.800   9.05   3.47  -1.64  -1.59 
1 1 1    8   12   13 o   37.221   0.2002   31.284   41.000   0.59   0.15  -0.06   2.22 
1 1 1    8   12   14 o   48.312   0.2372   43.279  104.200   1.96   1.35  -0.68  -0.72 
1 1 1    8   12   15 o   6.3117   0.7670   20.084 -137.9000  -1.00   2.18   0.39   0.42 
1 1 1    8   12   16 f   38.705   0.2735   37.205  107.600  -1.49  -0.65  -0.75  -0.31 
1 1 1    8   12   17 o   19.794   0.9972   28.432   11.500   4.08   1.77  -0.72  -0.94 
1 1 1    8   12   18 o   24.945   0.8476   24.579 -64.5000   4.82 -10.61   2.96   2.84 
1 1 1    8   12   19 o   15.982   0.2435   16.180 -159.0000  -0.14  -1.51   0.85   0.01 
1 1 1    8   12   20 o   19.883   0.1855   27.876 -134.0000  -0.30   0.15   0.52   0.70 
1 1 1    8   12   21 o   43.338   0.2708   41.267   96.000  -8.08   3.14  -4.88   1.86 
1 1 1    8   12   22 o   33.641   0.6831   30.457 -10.3000   4.33  -0.99  -1.45   1.55 
1 1 1    8   12   23 o   15.583   0.2503   23.952 -79.5000  -2.44  -1.21  -4.98  -2.44 
1 1 1    8   12   24 f   9.7988   0.3026   11.400 -166.1000  -1.32   1.72   2.78   2.47 
1 1 1    8   12   25 f   0.5140   0.9168   3.2662 -131.2000  -0.60   0.14  -0.38   0.05 
1 1 1    8   12   26 o   21.411   0.5885   13.665  122.300   4.47   2.27  -0.25  -0.57 
1 1 1    8   12   27 o   8.5004   0.3595   12.566 -76.9000   0.57  -0.83  -0.66   0.76 
1 1 1    8   12   28 f   6.1127   0.5238   0.1785 -107.5000   1.24  -1.49   0.27   0.45 
1 1 1    8   12   29 o   6.2687   0.9384   8.3719 -104.7000  -1.05  -2.50   0.28  -0.17 
1 1 1    8   12   30 o   6.4526   0.4065   7.2735 -75.1000   0.22  -0.48   0.16  -0.02 
1 1 1    8   12   31 o   12.367   0.3273   13.397   46.600   2.57   1.99   1.91  -1.10 
1 1 1    8   12   32 o   4.6780   0.6697   1.5556   35.300  -0.57  -0.26  -0.00  -0.05 
1 1 1    8   12   33 o   10.141   0.3417   8.0475  148.100  -0.94   0.98   0.00  -0.61 
1 1 1    8   12   34 o   8.4413   0.3977   7.7916   76.000  -0.65  -0.03   0.12  -0.04 
1 1 1    8   12   35 o   3.9877   0.9659   1.4367 -142.8000   0.25  -0.19   0.00   0.01 
1 1 1    8   12   36 o   0.2685   0.8093   3.0540 -156.2000  -0.14  -0.22  -0.01   0.04 
1 1 1    8   12   37 o   4.1225   0.7921   4.6761   68.000  -0.37  -0.08   0.00   0.05 
1 1 1    8   12   38 o   6.5024   0.9353   0.8472  131.100   0.40   0.09   0.02  -0.00 
1 1 1    8   14    0 o   4.7958   0.4026   2.4373  180.000  -0.00   0.00   0.00   0.00 
1 1 1    8   14    1 f   7.2009   1.1897   20.590 -26.0000  -6.52 -13.55   2.86  -3.51 
1 1 1    8   14    2 o   44.295   0.6752   34.149  178.300  -6.16   6.13   0.70   5.58 
1 1 1    8   14    3 o   30.612   0.4735   35.250  136.200  -2.76   0.99  -0.75   0.78 
1 1 1    8   14    4 o   46.393   0.6867   36.315   42.000   0.53  11.27   7.42   0.22 
1 1 1    8   14    5 o   25.179   0.3646   19.686 -37.8000  -1.85  -3.11   1.39  -1.98 
1 1 1    8   14    6 o   42.981   1.7622   43.993 -124.7000 -17.43 -19.84   0.73  -4.32 
1 1 1    8   14    7 o   23.447   1.9657   27.287 -11.0000  12.24  13.46   0.65  -4.50 
1 1 1    8   14    8 o   66.188   0.2941   52.272 -38.9000   1.22   0.87   2.25  -1.02 
1 1 1    8   14    9 o   7.5450   0.3028   2.6447   82.100  -0.75  -0.04  -0.36  -0.08 
1 1 1    8   14   10 f   26.065   0.4485   31.253  163.800  -1.27   2.23   1.15   1.16 
1 1 1    8   14   11 o   18.097   0.7848   17.397   81.100   4.41   1.19  -1.35  -0.63 
1 1 1    8   14   12 o   53.937   0.8080   54.029   88.700   5.64   1.44  -1.39  -0.39 
1 1 1    8   14   13 o   24.717   0.3137   19.113 -114.0000  -2.31   0.33  -1.39   0.86 
1 1 1    8   14   14 o   15.848   1.1366   27.897 -103.7000  16.36  -8.34  -4.02   5.07 
1 1 1    8   14   15 o   16.185   1.1761   1.5865 -91.1000  11.32  -5.57  -1.41   1.99 
1 1 1    8   14   16 o   25.280   1.4568   13.263  138.500 -16.26  13.33  -1.03   4.08 
1 1 1    8   14   17 o   17.125   0.7310   10.081  179.900  -6.49   3.33  -1.40   2.33 
1 1 1    8   14   18 o   35.713   0.7836   36.567 -66.5000  -4.62  -7.61   0.93  -3.95 
1 1 1    8   14   19 o   9.3633   0.2879   10.379 -108.3000  -0.17  -0.31   0.34  -0.14 
1 1 1    8   14   20 o   22.488   0.6707   30.163   65.900   4.79   4.98  -0.56  -3.49 
1 1 1    8   14   21 o   3.7794   0.5096   8.7823   28.000   0.46  -1.12   0.83   0.46 
1 1 1    8   14   22 o   18.775   0.1934   8.5753   70.900  -0.01  -0.75  -1.30   1.19 
1 1 1    8   14   23 o   5.0033   0.8267   1.8414   6.5000   0.12  -0.59   0.03   0.01 
1 1 1    8   14   24 o   9.7559   0.3013   10.710 -135.8000  -0.34   0.63  -1.19   0.42 
1 1 1    8   14   25 o   13.867   0.7828   15.671   21.100   5.43   3.11  -0.88  -0.92 
1 1 1    8   14   26 o   7.0371   0.6325   12.113  147.000  -1.63   1.33   0.05   0.45 
1 1 1    8   14   27 o   9.6567   0.2898   8.2267 -148.2000  -3.03   1.05  -0.36   3.39 
1 1 1    8   14   28 o   5.4828   0.5675   3.3433 -28.8000  -0.58  -1.91   0.25  -0.41 
1 1 1    8   14   29 o   6.3131   0.4394   6.3544 -107.2000   0.53  -1.31   0.28   0.02 
1 1 1    8   14   30 f   4.6668   0.5669   5.8530 -110.4000  -0.34   0.33  -0.07   0.03 
1 1 1    8   14   31 o   2.8971   0.7719   0.5644 -27.0000  -0.02   0.22  -0.04   0.00 
1 1 1    8   14   32 o   1.6572   1.1084   0.2816  147.400  -0.35   0.21  -0.06  -0.01 
1 1 1    8   14   33 f   4.3301   0.6509   7.1952   36.700   0.47  -0.24   0.07  -0.10 
1 1 1    8   14   34 o   5.0686   0.5810   0.5896  149.100  -0.15  -0.70  -0.15   0.06 
1 1 1    8   14   35 o   0.0000   2.2787  ?   ?   -0.22   0.10  -0.04  -0.07 
1 1 1    8   14   36 o   0.7886   1.2250   2.6647   86.500  -0.10   0.44   0.04  -0.02 
1 1 1    8   16    0 o   40.109   0.3080   13.512  -0.0000  -0.13   0.00   0.00   0.00 
1 1 1    8   16    1 o   58.956   0.2704   46.303  168.600  -1.73  -0.73   2.52  -3.46 
1 1 1    8   16    2 o   52.002   0.6624   60.574   80.500  -1.61   3.68   0.62   1.34 
1 1 1    8   16    3 o   15.595   0.4436   20.415  122.800  -2.02  -0.21  -1.32  -0.05 
1 1 1    8   16    4 f   17.478   0.5882   13.956  171.000  -2.15   4.23   2.49   2.60 
1 1 1    8   16    5 o   13.422   0.1469   12.493  104.900  -0.06   0.14   0.44  -0.75 
1 1 1    8   16    6 o   28.385   0.1889   9.6406  168.900   0.94  -3.42   2.65   0.77 
1 1 1    8   16    7 o   12.923   1.0365   20.744 -61.2000 -12.48 -12.41  -0.23  -5.74 
1 1 1    8   16    8 o   32.140   0.4538   9.8491 -116.3000  -0.41   1.65   0.71   0.85 
1 1 1    8   16    9 o   30.158   0.9957   13.793 -20.3000   7.25  -3.67  -0.79   1.31 
1 1 1    8   16   10 o   27.555   0.8125   28.735 -134.1000  -1.28  -6.42   1.19  -0.37 
1 1 1    8   16   11 o   15.196   0.7405   14.225  127.800  -8.13  -0.30  -1.88  -0.24 
1 1 1    8   16   12 o   14.888   1.2284   19.229 -11.6000  13.27  -6.81  -1.57   2.05 
1 1 1    8   16   13 o   30.424   1.0109   23.742 -169.6000 -13.91   2.55  -4.30   2.36 
1 1 1    8   16   14 o   20.016   0.7646   29.931   35.500   9.14  -2.83  -2.50   2.15 
1 1 1    8   16   15 o   16.311   0.5905   21.437  131.000 -16.05  -1.57  -6.54  -1.84 
1 1 1    8   16   16 f   21.944   0.3425   15.381  119.900  -0.17  -0.07  -0.09   0.09 
1 1 1    8   16   17 o   26.949   0.1928   26.761 -79.7000  12.82  -5.81  -7.36   5.70 
1 1 1    8   16   18 o   21.972   0.7612   24.598 -105.6000  -0.83  -4.08   0.83  -0.69 
1 1 1    8   16   19 f   12.263   0.9918   16.286   9.1000   7.92  -6.17  -0.34   2.45 
1 1 1    8   16   20 o   10.788   0.2468   11.794 -61.6000   0.57  -1.26   0.20   0.59 
1 1 1    8   16   21 o   8.3284   0.3064   12.346 -78.9000   1.19   0.03  -0.24  -0.10 
1 1 1    8   16   22 o   19.033   0.6227   23.223   74.300   6.84   2.82  -2.10  -1.01 
1 1 1    8   16   23 o   11.757   0.4954   14.663   15.700   3.63  -3.14   0.28   1.65 
1 1 1    8   16   24 o   4.7860   0.5138   4.5583 -138.9000  -0.55  -0.31  -0.32  -0.03 
1 1 1    8   16   25 f   5.5044   0.4461   8.9069  127.500  -0.10   1.27   0.53  -0.31 
1 1 1    8   16   26 o   12.963   0.2788   10.951  125.100  -0.24   0.35  -0.00   0.01 
1 1 1    8   16   27 o   5.4350   0.4587   2.4015 -97.0000  -0.79  -0.14  -0.18   0.39 
1 1 1    8   16   28 o   7.2272   0.6337   5.0449 -77.1000   1.36  -1.92   0.27   0.23 
1 1 1    8   16   29 o   0.0000   2.0765  ?   ?    0.02  -0.02  -0.00  -0.00 
1 1 1    8   16   30 f   9.4865   0.3097   10.298 -142.6000  -1.58  -2.08   1.15   0.16 
1 1 1    8   16   31 f   3.5989   0.7953   0.9070 -13.4000   0.10   0.75   0.05   0.02 
1 1 1    8   16   32 o   8.2476   0.4690   11.209   9.8000   2.06   1.78   0.42  -0.31 
1 1 1    8   16   33 o   4.8837   0.7114   4.2269  158.200   0.33   0.36   0.05  -0.00 
1 1 1    8   16   34 o   2.3620   1.3125   4.2943  159.800  -0.15   0.26   0.00  -0.03 
1 1 1    8   18    0 o   8.6255   0.2588   13.144  180.000  -0.04   0.00   0.00   0.00 
1 1 1    8   18    1 o   13.986   0.8428   15.768   82.600 -12.60   3.50  -2.99   1.59 
1 1 1    8   18    2 o   16.463   0.5532   6.0282 -17.0000   0.88  -5.29   2.20   0.46 
1 1 1    8   18    3 o   12.630   0.9841   2.2877   3.1000 -16.42  18.51   1.84  11.05 
1 1 1    8   18    4 o   12.364   0.8829   6.8433   63.700  -0.70   8.68   1.70   0.19 
1 1 1    8   18    5 o   21.392   0.2182   22.315  155.700  -0.91   3.24   1.29   1.28 
1 1 1    8   18    6 o   14.613   0.9308   19.878 -157.5000  -8.76  -4.26  -0.89  -1.26 
1 1 1    8   18    7 o   34.128   0.2017   36.876 -147.4000   1.35  -1.83  -0.46   1.61 
1 1 1    8   18    8 f   21.068   0.4754   24.568 -35.9000   6.03   1.87  -2.29  -2.23 
1 1 1    8   18    9 o   19.463   0.9558   26.164 -21.2000  10.34 -15.72   2.28   4.44 
1 1 1    8   18   10 o   7.1841   1.1340   6.5284 -85.5000   1.00  -4.02   0.22   0.11 
1 1 1    8   18   11 o   22.476   0.1660   19.669   78.700  -0.38  -0.17  -0.13  -0.03 
1 1 1    8   18   12 o   32.897   0.1809   27.720   92.100  -0.08   0.92  -0.43  -0.85 
1 1 1    8   18   13 o   10.458   0.1853   3.8335  112.400   0.34   0.48  -0.41  -0.68 
1 1 1    8   18   14 o   9.1608   0.2157   7.8653 -54.0000  -0.40   0.01  -0.15   0.11 
1 1 1    8   18   15 o   12.820   0.3485   16.854 -139.2000  -1.60   2.13   0.69   1.04 
1 1 1    8   18   16 o   12.332   0.1815   9.0457 -69.8000   0.07   0.30   0.05   0.00 
1 1 1    8   18   17 o   17.637   0.2660   12.357   61.500  -0.48  -0.03  -0.02   0.26 
1 1 1    8   18   18 f   11.234   0.3325   14.481   68.600  -0.96   3.56   0.85   0.92 
1 1 1    8   18   19 f   10.816   0.2029   14.911 -23.4000   1.18   1.63   1.51  -1.04 
1 1 1    8   18   20 o   10.001   0.5230   11.565 -138.9000   2.91 -11.20   3.47   3.03 
1 1 1    8   18   21 o   8.2142   0.3127   7.5191  123.300  -0.68   0.66  -0.76   0.29 
1 1 1    8   18   22 o   6.2675   0.3786   5.5599   28.500   0.67  -0.96   0.28   0.22 
1 1 1    8   18   23 o   9.2313   0.2715   9.9401 -70.8000   0.09  -0.80  -0.91   0.09 
1 1 1    8   18   24 o   4.1952   1.4209   4.6191  172.500   0.81   0.88   0.02  -0.05 
1 1 1    8   18   25 o   5.3373   0.4324   4.6038  126.000  -1.15   0.62  -0.91  -0.27 
1 1 1    8   18   26 o   6.7940   0.3496   4.2057   82.300  -1.36   1.33  -0.46   0.34 
1 1 1    8   18   27 o   10.589   0.3070   7.3322 -102.3000   0.45  -2.28  -0.33   0.87 
1 1 1    8   18   28 o   6.0451   0.4416   2.3458 -177.1000  -1.03  -0.29  -0.15   0.24 
1 1 1    8   18   29 f   7.2077   0.3980   2.8688   50.800   0.31  -0.30  -0.04  -0.01 
1 1 1    8   18   30 o   7.0410   0.4232   3.8186 -141.5000  -0.28   0.26   0.03  -0.02 
1 1 1    8   18   31 o   8.3830   0.4474   5.7002   47.800   0.50  -0.86   0.10  -0.01 
1 1 1    8   18   32 o   7.9157   0.6916   8.3880 -21.8000   0.38  -0.08   0.01   0.01 
1 1 1    8   20    0 o   23.520   0.2211   30.325  -0.0000   0.70   0.00   0.00   0.00 
1 1 1    8   20    1 o   12.533   0.1486   7.9466   37.800  -0.22   0.17  -0.17   0.05 
1 1 1    8   20    2 o   37.090   0.3208   29.263   88.500   0.17   1.68  -0.56  -1.60 
1 1 1    8   20    3 o   11.849   0.1499   11.019 -150.2000  -0.07  -0.10  -0.09  -0.02 
1 1 1    8   20    4 o   22.154   0.1777   18.834  151.900  -0.00  -0.05   0.00  -0.00 
1 1 1    8   20    5 o   14.022   0.6383   15.458 -143.8000  -2.06  -3.82   0.49  -0.56 
1 1 1    8   20    6 o   22.879   0.9995   19.564 -124.3000   1.15 -10.38   1.81   0.72 
1 1 1    8   20    7 o   30.780   0.4257   20.404   75.700   4.56  -2.45  -2.38   1.18 
1 1 1    8   20    8 o   19.155   0.1463   18.010 -40.2000   0.18  -1.36   0.85  -0.44 
1 1 1    8   20    9 o   21.877   0.8131   12.004 -127.3000  11.92 -15.17   2.66   5.63 
1 1 1    8   20   10 o   7.6574   0.2162   9.8735 -118.4000   0.35  -0.29  -0.37   0.19 
1 1 1    8   20   11 f   5.2772   0.5751   4.8852 -82.8000  -2.89  -1.38  -0.34  -0.54 
1 1 1    8   20   12 f   16.127   0.2571   17.493   59.000  -2.93   1.61  -1.56   0.87 
1 1 1    8   20   13 o   20.080   0.6433   24.968 -10.9000   7.54  -3.12  -2.47   1.24 
1 1 1    8   20   14 o   3.5980   0.4252   2.4236   15.500   0.58   0.00  -0.38  -0.26 
1 1 1    8   20   15 o   6.4833   0.2818   7.8335  102.300  -2.08  -0.62  -0.78  -1.31 
1 1 1    8   20   16 o   4.8703   0.7825   2.0423  156.200  -6.30  -0.45  -1.40  -0.38 
1 1 1    8   20   17 o   9.5348   0.2151   8.8005  116.500  -1.04  -0.43  -0.52  -0.04 
1 1 1    8   20   18 o   5.7622   0.3326   5.4493 -101.9000  -0.56  -0.34  -0.96   0.56 
1 1 1    8   20   19 o   5.9884   0.3287   4.2616   4.1000   0.28  -0.16   0.22  -0.10 
1 1 1    8   20   20 f   6.6159   0.3127   9.2030  110.200  -0.77  -0.28  -0.01  -0.25 
1 1 1    8   20   21 o   4.1738   0.4396   0.6536  102.800   0.13  -0.32   0.08  -0.02 
1 1 1    8   20   22 o   6.9423   0.3119   7.4525 -23.4000  -0.03  -0.54  -0.18  -0.17 
1 1 1    8   20   23 f   5.3605   0.5300   4.4919 -162.3000  -1.08  -0.44  -0.01  -0.16 
1 1 1    8   20   24 o   2.2788   1.0647   2.9063  116.200  -0.19   0.64   0.03   0.13 
1 1 1    8   20   25 o   3.3231   0.6095   1.5487  109.100   0.12   0.26  -0.05  -0.02 
1 1 1    8   20   26 o   4.3438   0.6745   3.7961 -111.8000   0.01   0.05   0.00  -0.00 
1 1 1    8   20   27 o   2.9802   0.7010   3.5027 -65.6000  -0.27  -0.53  -0.16   0.15 
1 1 1    8   20   28 o   7.4460   0.3673   4.5782  126.000  -0.34   0.14  -0.03  -0.03 
1 1 1    8   20   29 o   6.5107   0.5684   5.4897  163.100   0.21   0.71   0.03   0.13 
1 1 1    8   22    0 o   15.556   0.1968   14.053  180.000   0.12   0.00   0.00   0.00 
1 1 1    8   22    1 f   10.989   0.6164   8.1279  162.200  -3.44  -4.94   0.70  -1.21 
1 1 1    8   22    2 o   14.781   0.6574   13.869 -94.8000  11.36  -4.31  -2.08   2.56 
1 1 1    8   22    3 o   5.8165   0.2340   9.0922 -50.3000  -0.06  -0.70   0.46  -1.36 
1 1 1    8   22    4 o   8.1208   0.1678   5.7554   27.600  -0.84   0.96   0.43   0.58 
1 1 1    8   22    5 o   16.394   0.1984   11.129  112.700  -0.45  -0.89   0.48   0.04 
1 1 1    8   22    6 o   9.1870   0.1617   8.1017  144.800   0.00   1.49   0.56  -0.28 
1 1 1    8   22    7 o   5.4954   0.4289   8.1890  149.900  -1.63  -0.82  -0.11  -0.21 
1 1 1    8   22    8 o   2.7975   0.3936   6.5114 -106.3000   0.32  -0.16  -0.40   0.03 
1 1 1    8   22    9 o   6.0930   0.3146   10.881 -88.5000  -1.32  -0.86  -0.27  -0.32 
1 1 1    8   22   10 f   7.1768   0.1945   6.0355 -52.2000   0.26   0.14  -0.05  -0.02 
1 1 1    8   22   11 o   4.2641   0.3623   8.6410   39.000  -0.18   0.52   0.07   0.24 
1 1 1    8   22   12 o   5.7493   0.3223   10.460 -47.3000   0.25  -3.70   1.35  -0.22 
1 1 1    8   22   13 o   9.9373   0.2341   10.613 -93.8000  -0.19  -0.52   0.15   0.05 
1 1 1    8   22   14 o   10.308   0.4363   10.350   64.800   4.32   2.87  -0.41  -0.56 
1 1 1    8   22   15 o   7.2307   0.2546   6.9602   39.400  -0.05   0.55  -0.09  -0.49 
1 1 1    8   22   16 o   5.6096   0.3133   11.524  135.500  -0.05   0.03   0.01   0.00 
1 1 1    8   22   17 o   8.5292   0.2340   6.5538   59.400   0.02  -1.24  -1.47   0.48 
1 1 1    8   22   18 o   12.442   0.1993   10.373 -134.8000  -0.87  -0.86   0.52   0.21 
1 1 1    8   22   19 o   3.1204   0.6374   3.6766  120.100  -0.93   2.13   0.17   0.65 
1 1 1    8   22   20 o   6.7532   0.3120   6.2855 -55.9000  -0.46  -0.46  -0.14  -0.02 
1 1 1    8   22   21 f   5.5903   0.3596   5.2698  177.800  -1.06   0.72   0.14   0.23 
1 1 1    8   22   22 o   7.5330   0.2805   9.2768   18.700   0.46   0.15  -0.02   0.09 
1 1 1    8   22   23 o   2.3717   1.1220   0.5643  137.700   0.03   0.25   0.01  -0.01 
1 1 1    8   22   24 o   7.2496   0.4258   5.3185   65.000   0.72   0.22   0.02  -0.11 
1 1 1    8   22   25 o   5.1046   0.6543   3.4978 -78.9000   0.09   0.00  -0.00  -0.00 
1 1 1    8   24    0 o   2.4495   0.5932   5.5057  180.000  -0.01   0.00   0.00   0.00 
1 1 1    8   24    1 o   5.9796   0.2290   4.6322  164.100   0.59   1.58   0.69  -0.17 
1 1 1    8   24    2 o   20.786   0.5295   15.234 -110.4000   3.94  -1.99  -0.04   0.97 
1 1 1    8   24    3 o   5.8176   0.2189   2.5051  147.000   0.63   0.49   0.03  -0.14 
1 1 1    8   24    4 o   10.335   0.1542   5.5541 -84.5000  -0.89  -0.69   0.02  -0.13 
1 1 1    8   24    5 o   3.4967   0.3421   2.0917   41.900   1.03   0.35  -0.55  -0.08 
1 1 1    8   24    6 o   11.376   0.3376   12.868   29.800   1.43   1.42  -0.27  -0.44 
1 1 1    8   24    7 o   2.5441   0.4372   2.4281 -51.6000   0.02  -0.37  -0.37   0.38 
1 1 1    8   24    8 o   8.3397   0.5079   7.0768  151.200  -7.44   2.53  -1.64   2.63 
1 1 1    8   24    9 o   4.1347   0.4856   0.5632   79.600   2.18   0.15  -0.37   0.06 
1 1 1    8   24   10 f   8.1844   0.2265   4.9669   37.000   0.02   2.04   0.43   0.27 
1 1 1    8   24   11 o   5.8537   0.2620   3.2230 -162.5000  -0.71  -1.19  -0.01  -0.28 
1 1 1    8   24   12 o   5.9531   0.2366   5.0151 -98.8000   0.80   0.08  -0.16   0.52 
1 1 1    8   24   13 o   3.5440   0.4551   2.7725   23.500  -0.16   0.69   0.15  -0.06 
1 1 1    8   24   14 o   5.1582   0.3301   6.3726  128.200  -0.35  -0.75   0.01  -0.07 
1 1 1    8   24   15 o   4.9470   0.4313   3.8722   86.800   0.46   0.83   0.17  -0.04 
1 1 1    8   24   16 o   5.2770   0.5991   5.6620 -131.7000  -0.95  -1.30   0.14  -0.13 
1 1 1    8   24   17 o   5.6859   0.3241   1.2699 -178.6000  -0.24   0.02   0.02  -0.04 
1 1 1    8   24   18 o   8.8290   0.2304   7.9305   48.200   0.06   0.60   0.03  -0.07 
1 1 1    8   24   19 o   5.3080   0.3377   3.2516 -112.7000  -0.10  -0.71   0.05  -0.06 
1 1 1    8   24   20 o   5.0850   0.4568   7.8510 -156.9000  -0.57  -0.28  -0.12   0.03 
1 1 1    8   26    0 o   4.1593   0.4333   2.2129   0.0000   0.04   0.00   0.00   0.00 
1 1 1    8   26    1 o   3.8433   0.3055   5.0527   24.800  -0.07  -0.20  -0.06  -0.04 
1 1 1    8   26    2 o   7.5705   0.1988   5.2553  127.100   0.61   0.63  -0.34  -0.07 
1 1 1    8   26    3 o   2.9886   0.3946   2.2750 -73.9000   0.26  -0.19   0.03   0.05 
1 1 1    8   26    4 o   8.0522   0.1771   6.5575 -142.7000  -0.06   0.45  -0.03   0.09 
1 1 1    8   26    5 o   6.9106   0.1970   3.7233   43.300   0.14   0.48  -0.02   0.23 
1 1 1    8   26    6 o   12.583   0.5206   12.920 -31.0000   4.68  -1.56  -0.41   0.10 
1 1 1    8   26    7 o   8.4193   0.2059   6.0071  160.100  -0.46  -0.54   0.17   0.03 
1 1 1    8   26    8 f   10.217   0.3480   10.015   84.000  -0.12   1.42   0.10  -0.39 
1 1 1    8   26    9 o   4.8314   0.4152   4.3132 -101.2000  -0.24   0.05  -0.01   0.01 
1 1 1    8   26   10 o   2.3775   0.6059   2.8523 -155.6000  -0.93  -0.64  -0.09  -0.11 
1 1 1    8   26   11 f   6.2343   0.2587   7.2847 -58.9000  -0.18  -0.52   0.09   0.01 
1 1 1    8   26   12 o   4.3170   0.3364   4.9219   38.500   0.45  -0.20  -0.01   0.04 
1 1 1    8   26   13 o   9.8578   0.2171   9.8468   56.600   0.39  -0.44   0.14  -0.12 
1 1 1    9    1    0 o   10.964   0.1927   18.062 -180.0000  -0.13   0.00   0.00   0.00 
1 1 1    9    1    1 o   44.515   1.6950   52.735   94.500  -7.64   7.31  -1.56   5.35 
1 1 1    9    1    2 o   40.764   0.5418   33.682 -128.5000  -0.19   0.77  -0.92   1.24 
1 1 1    9    1    3 o   58.864   1.5138   75.409 -66.6000   1.54  -3.41   0.35   1.14 
1 1 1    9    1    4 o   69.311   0.3569   65.491   27.000   0.13  -0.31  -0.03  -0.14 
1 1 1    9    1    5 o   79.782   1.4929   80.192 -123.4000 -12.63  -3.22  -4.83  -0.75 
1 1 1    9    1    6 o   33.969   0.9463   21.618   90.500  -0.15   4.44   1.37   0.41 
1 1 1    9    1    7 o   74.654   0.6627   64.263   88.300  -0.49   1.13   1.33   0.02 
1 1 1    9    1    8 o   86.126   0.6571   90.601 -130.3000   4.16  -8.40   1.70   3.65 
1 1 1    9    1    9 f   31.195   1.5351   40.450 -39.7000   2.65 -20.75  12.26   2.46 
1 1 1    9    1   10 f   18.584   0.3978   15.004  172.400   1.68  -1.73   0.88   4.27 
1 1 1    9    1   11 o   43.269   3.2561   40.684 -159.3000 -40.18 -55.33   7.14 -19.75 
1 1 1    9    1   12 o   13.270   2.0329   9.3998 -149.5000 -17.43  15.09  -0.77   5.96 
1 1 1    9    1   13 o   49.199   2.6736   51.248   30.600  24.10  21.07  -0.68  -8.31 
1 1 1    9    1   14 o   62.336   2.3313   63.068  166.500 -20.96   7.47  -4.47   3.14 
1 1 1    9    1   15 o   42.145   2.1553   45.830  180.000 -13.14  -1.54  -2.53  -0.75 
1 1 1    9    1   16 o   14.962   0.2256   16.276 -101.5000   2.45  -0.96  -4.98   3.35 
1 1 1    9    1   17 o   27.232   1.2372   15.389   0.6000   8.76  -0.77  -3.35   0.38 
1 1 1    9    1   18 o   75.449   2.5735   73.157   6.9000  41.66 -10.84  -7.79   5.06 
1 1 1    9    1   19 o   22.946   0.4150   24.086 -120.4000  -0.65  -1.25   0.40  -0.43 
1 1 1    9    1   20 o   22.223   1.3106   20.486   22.800  29.41   2.72 -11.08  -2.41 
1 1 1    9    1   21 o   31.945   0.9430   16.509 -45.4000   2.94   0.58  -0.76  -0.51 
1 1 1    9    1   22 o   30.567   1.6147   26.199   11.400  13.24   1.66  -3.36  -0.55 
1 1 1    9    1   23 o   62.596   1.6670   57.372  104.700  -9.80   6.90  -2.96   4.20 
1 1 1    9    1   24 o   18.184   1.7043   30.411 -145.2000 -33.87  -0.40  -8.64   0.10 
1 1 1    9    1   25 o   11.315   0.2936   11.247  173.000  -0.21  -0.83   5.16   1.85 
1 1 1    9    1   26 o   11.828   0.2605   17.446  159.200  -0.89   0.02  -4.54  -7.52 
1 1 1    9    1   27 o   23.670   0.3524   17.539 -68.6000   1.41  -4.22   2.86   0.97 
1 1 1    9    1   28 o   5.0789   0.5447   8.3371  -6.9000   0.85   1.18   0.57  -0.90 
1 1 1    9    1   29 o   16.156   0.5464   14.243 -70.7000  10.25  -3.00  -5.42   1.83 
1 1 1    9    1   30 o   8.7231   0.3900   1.6080 -32.7000   0.04  -0.02  -0.00   0.00 
1 1 1    9    1   31 o   13.313   0.3865   12.699   40.800   2.19   0.88  -0.96  -0.12 
1 1 1    9    1   32 f   3.6298   1.1372   5.4118 -91.7000  -0.77  -0.61  -0.08  -0.13 
1 1 1    9    1   33 f   9.1612   0.3660   10.273  104.800  -0.10   0.18  -0.05  -0.01 
1 1 1    9    1   34 o   4.0384   1.5206   3.0499  103.100  -1.98  -1.52  -0.01  -0.33 
1 1 1    9    1   35 o   3.9472   0.7139   2.1953 -139.3000  -0.49   0.89  -0.14   0.24 
1 1 1    9    1   36 o   3.2807   0.8370   1.2810  164.700   0.26  -0.02   0.00  -0.04 
1 1 1    9    1   37 o   11.915   0.4544   7.7347 -127.5000   0.68  -3.33   0.12   0.36 
1 1 1    9    1   38 o   2.3233   1.1060   3.5812  121.700  -0.05   0.21   0.01  -0.01 
1 1 1    9    1   39 o   0.0000   2.4108  ?   ?    0.25  -0.22  -0.04  -0.02 
1 1 1    9    1   40 o   3.9324   0.9598   2.1348 -29.9000   0.15   0.06   0.00  -0.00 
1 1 1    9    1   41 o   5.9662   1.2728   1.5794   3.1000  -0.15  -0.07   0.00  -0.00 
1 1 1    9    3    0 o   55.320   0.3342   35.069  180.000   0.50   0.00   0.00   0.00 
1 1 1    9    3    1 o   22.227   0.9946   26.654 -160.9000  -4.12   0.94  -2.33   0.61 
1 1 1    9    3    2 o   41.721   0.3718   40.694 -45.3000   0.24   1.92  -3.95  -7.94 
1 1 1    9    3    3 o   10.138   0.2753   24.343 -71.0000  -1.42   2.65   3.71   3.76 
1 1 1    9    3    4 f   56.006   0.7329   50.233  103.400   0.98   1.06   1.03  -0.47 
1 1 1    9    3    5 o   12.450   1.2434   1.5236   71.900  -6.96 -11.03   2.26  -5.03 
1 1 1    9    3    6 f   51.638   0.2409   58.438   34.400  -0.13  -1.22   0.74   0.13 
1 1 1    9    3    7 o   38.154   0.3002   49.824   12.900   1.65  -0.11  -0.52  -0.02 
1 1 1    9    3    8 o   94.463   3.4641   84.495 -101.4000 -21.75 -28.62   1.61  -9.09 
1 1 1    9    3    9 o   34.609   0.7305   23.195  161.000  -5.17  -1.75  -1.79  -1.71 
1 1 1    9    3   10 o   30.940   1.4521   26.541  167.100   4.42  21.86  14.30  -7.10 
1 1 1    9    3   11 o   61.977   1.3171   62.400   31.100   3.88   2.86  -0.17  -1.48 
1 1 1    9    3   12 o   24.199   1.6380   28.235  128.800  -2.95  22.08   8.72   2.72 
1 1 1    9    3   13 o   14.011   2.3587   24.282  175.500 -24.15  -1.68  -7.15  -1.11 
1 1 1    9    3   14 o   99.823   0.7386  108.009 -140.3000  -1.49   3.70   0.79   0.41 
1 1 1    9    3   15 o   91.072   1.6887   84.221 -131.8000 -27.28   2.21  -8.46   2.44 
1 1 1    9    3   16 o   65.025   1.3100   64.179   32.700   2.89   0.71  -0.30  -0.11 
1 1 1    9    3   17 o   13.450   1.8690   10.241  137.200 -39.23   0.24 -12.39  -0.00 
1 1 1    9    3   18 f   36.391   0.3058   49.120   13.200   0.72   0.04  -0.35   0.09 
1 1 1    9    3   19 o   11.718   2.3683   8.4656 -119.0000  64.59  -0.51 -21.00   0.15 
1 1 1    9    3   20 o   18.545   1.1253   13.737 -179.3000 -13.11  -5.51  -2.54  -2.45 
1 1 1    9    3   21 o   27.558   0.1933   26.460   94.600   1.64   0.59  -7.89   2.05 
1 1 1    9    3   22 o   31.688   0.3389   22.366  101.300   0.13   0.50   0.25   0.03 
1 1 1    9    3   23 o   42.236   0.9847   29.201 -24.0000   5.28  -0.95  -3.03   0.16 
1 1 1    9    3   24 o   30.030   0.1969   25.979 -144.4000  -0.23  -2.28   5.74   3.70 
1 1 1    9    3   25 f   12.351   1.1629   24.175  129.500 -22.59   5.21  -9.01   3.94 
1 1 1    9    3   26 o   8.6645   0.3683   9.6567 -145.1000   0.02   0.58  -0.94   5.45 
1 1 1    9    3   27 o   25.125   1.5187   28.293  163.000 -27.49  16.74  -2.62   6.11 
1 1 1    9    3   28 f   1.7000   1.0497   3.3011 -35.0000   0.28  -0.68   0.10   0.12 
1 1 1    9    3   29 o   15.391   0.5176   15.173 -30.3000   3.27  -2.04  -0.37   0.48 
1 1 1    9    3   30 o   17.905   0.2802   18.134 -32.2000   1.11   0.98   0.03  -0.15 
1 1 1    9    3   31 o   18.788   0.4116   18.981 -44.2000   0.96  -2.02   1.67  -0.50 
1 1 1    9    3   32 o   11.614   0.3926   7.9623 -166.3000  -0.81  -0.80  -0.75  -0.21 
1 1 1    9    3   33 o   6.8920   0.4911   2.1901  -7.4000   1.66   1.06  -0.80  -0.31 
1 1 1    9    3   34 o   5.3941   0.6817   3.7522   52.900   0.27  -0.22   0.01   0.02 
1 1 1    9    3   35 o   2.4797   1.0298   1.0345  107.200  -0.18  -0.19  -0.03  -0.01 
1 1 1    9    3   36 o   3.5169   0.8194   5.1995  123.600  -0.65   0.06   0.01  -0.19 
1 1 1    9    3   37 o   12.183   0.3389   9.6493  113.100  -0.28   1.15   0.00  -0.18 
1 1 1    9    3   38 f   3.9861   0.7489   1.9400   80.900   0.44  -0.09   0.03   0.03 
1 1 1    9    3   39 o   8.3330   0.4846   8.7807 -111.8000   1.30  -0.69  -0.11  -0.16 
1 1 1    9    3   40 o   6.3257   2.7414   3.3429 -98.4000  -0.58  -0.13  -0.01   0.01 
1 1 1    9    3   41 o   5.9752   2.7833   0.5119 -78.9000  -0.12   0.63   0.01  -0.01 
1 1 1    9    5    0 o   46.584   0.3081   42.320  180.000   0.01   0.00   0.00   0.00 
1 1 1    9    5    1 o   22.408   1.2033   22.287   14.900  -0.70 -11.33   5.61  -0.42 
1 1 1    9    5    2 o   30.341   0.4238   21.460   96.800  -4.02  -0.41  -6.60  -2.92 
1 1 1    9    5    3 f   35.745   0.6778   37.622   49.200  -1.66   2.48   0.21   0.73 
1 1 1    9    5    4 o   74.570   0.5278   69.303   28.600  -2.97   5.86   1.15   2.60 
1 1 1    9    5    5 o   25.899   0.5885   19.104  -0.1000  -1.46   3.45   3.07   2.36 
1 1 1    9    5    6 o   78.624   2.4128   68.934 -83.7000   8.95 -14.32   0.84   2.15 
1 1 1    9    5    7 o   64.725   2.7077   69.589 -81.6000  -3.52 -26.15   7.26  -2.61 
1 1 1    9    5    8 o   64.747   1.5151   68.348 -142.1000  -7.93   3.81  -1.13   1.85 
1 1 1    9    5    9 o   11.051   1.0917   29.093 -110.9000  -0.37  -9.49   3.44  -0.19 
1 1 1    9    5   10 o   86.674   2.4965   92.736   42.200  19.31  23.74   2.29  -7.29 
1 1 1    9    5   11 f   89.048   1.6456   83.906   94.100  -1.68   5.17   1.38   1.76 
1 1 1    9    5   12 o   52.197   0.9291   48.473  116.600 -10.51  -3.33  -9.92 -10.35 
1 1 1    9    5   13 o   27.805   1.0941   29.493  -6.1000   0.30  -6.41   2.20   0.36 
1 1 1    9    5   14 o   43.963   1.2244   38.959 -130.2000 -16.27  -1.08  -9.38  -0.39 
1 1 1    9    5   15 o   3.9902   0.4335   5.7986  118.900   0.03   0.00   0.75   0.27 
1 1 1    9    5   16 o   43.960   1.1493   37.160   36.400  28.68  -2.57 -22.56   5.99 
1 1 1    9    5   17 f   48.727   1.3602   43.174 -107.0000   6.85 -11.20   1.22   2.91 
1 1 1    9    5   18 o   47.245   0.8232   55.941 -126.6000 -13.64  -1.14 -10.76  -0.37 
1 1 1    9    5   19 o   28.991   0.2131   27.026 -117.5000  -0.10  -0.13   0.00  -0.01 
1 1 1    9    5   20 o   27.287   0.8497   23.777  142.800  -4.59  -0.96  -1.78  -1.17 
1 1 1    9    5   21 o   31.435   0.2063   35.328   23.000   0.17   0.59   0.48   0.10 
1 1 1    9    5   22 o   34.856   0.6941   28.051 -101.5000   7.42  -1.45  -6.93   0.83 
1 1 1    9    5   23 o   34.846   0.5937   37.072  122.000  -3.71   0.63  -1.87   0.10 
1 1 1    9    5   24 o   35.235   0.3868   37.308   42.500   9.50  -5.92  -2.14   8.79 
1 1 1    9    5   25 f   12.294   0.7306   18.654  100.600   5.69   1.86  -1.19  -1.00 
1 1 1    9    5   26 f   15.498   0.3403   7.7695  148.700   0.35   4.34   4.27  -2.02 
1 1 1    9    5   27 o   25.433   0.4748   24.809 -157.2000  -2.18 -10.01   4.22  -1.02 
1 1 1    9    5   28 o   6.7959   0.4535   8.3738 -134.5000  -0.51   0.55  -0.89   0.80 
1 1 1    9    5   29 o   17.185   0.2198   18.547 -50.0000   0.57   2.60   1.04   0.00 
1 1 1    9    5   30 o   8.1331   0.7882   7.9429 -114.3000  -7.48  -2.38  -3.31  -1.25 
1 1 1    9    5   31 o   3.9308   0.7110   4.9320  102.900  -0.33   0.38   0.04   0.05 
1 1 1    9    5   32 o   5.8607   0.5680   5.2586   53.600  -0.43  -0.13   0.01  -0.13 
1 1 1    9    5   33 o   9.7024   0.8870   9.8285 -57.9000   1.68  -4.81   0.90   0.32 
1 1 1    9    5   34 o   4.3932   0.7442   5.8598 -119.0000   0.15  -0.29  -0.11  -0.05 
1 1 1    9    5   35 o   4.6107   0.6475   1.0383   17.500  -0.42   0.32   0.15  -0.04 
1 1 1    9    5   36 o   0.0000   2.2837  ?   ?    0.01   0.51  -0.22   0.02 
1 1 1    9    5   37 o   7.3716   0.4336   6.3772   64.300   0.37   0.67   0.03   0.14 
1 1 1    9    5   38 o   1.5849   1.2654   3.6514 -153.0000   0.05  -0.09  -0.00  -0.00 
1 1 1    9    5   39 o   7.8572   0.4865   7.3632 -129.8000  -0.67  -1.36  -0.05   0.28 
1 1 1    9    5   40 o   5.6103   2.4892   2.2032 -162.6000  -0.23  -1.02   0.04   0.00 
1 1 1    9    7    0 o   5.6125   0.3198   16.588  180.000  -0.01   0.00   0.00   0.00 
1 1 1    9    7    1 o   54.644   0.2775   45.808 -56.7000   2.17  -0.04  -2.29  -0.99 
1 1 1    9    7    2 o   92.044   0.9796   75.768   59.900  -8.69   9.57  -3.45  14.28 
1 1 1    9    7    3 o   66.468   1.3494   53.749   83.600  11.97   5.18  -4.46  -3.58 
1 1 1    9    7    4 o   54.981   1.1488   51.235 -149.9000  -0.34 -20.70  15.20   1.28 
1 1 1    9    7    5 o   35.493   0.6190   31.561 -92.4000  -2.84   0.08  -1.40   0.32 
1 1 1    9    7    6 o   33.907   0.3709   25.742 -14.8000  -0.10  -3.43   4.44  -1.35 
1 1 1    9    7    7 o   47.571   1.7264   45.448 -175.5000 -13.06   0.36  -3.06  -0.05 
1 1 1    9    7    8 o   18.778   0.6156   18.507 -36.7000   2.74  -0.96  -1.66   1.09 
1 1 1    9    7    9 o   51.435   1.5390   42.765 -103.5000 -15.52  -9.87  -3.59  -6.32 
1 1 1    9    7   10 o   49.648   0.3288   56.902   93.600  -0.09   0.30   0.01   0.00 
1 1 1    9    7   11 o   72.400   2.1375   83.166   60.300  16.51  14.10  -1.12  -4.59 
1 1 1    9    7   12 o   41.322   0.2062   49.759 -53.8000   0.04  -0.02  -0.00  -0.03 
1 1 1    9    7   13 o   41.828   0.7070   44.944   32.800   2.14   1.79  -0.02  -0.90 
1 1 1    9    7   14 o   14.106   0.3540   16.749   81.100  -4.62   2.98  -2.65   4.99 
1 1 1    9    7   15 o   28.986   0.1623   18.375 -97.9000  -0.61   0.09  -0.29   0.01 
1 1 1    9    7   16 o   14.917   0.8882   6.3945  129.200  -1.39   7.75   2.36   0.79 
1 1 1    9    7   17 o   45.584   0.4862   42.601 -94.2000   7.94  -4.42  -1.84   2.37 
1 1 1    9    7   18 o   18.864   0.4328   25.312 -165.3000  -1.51   0.70  -0.33   0.29 
1 1 1    9    7   19 o   29.358   0.6971   35.039   67.900   4.19   0.59  -2.39  -0.15 
1 1 1    9    7   20 o   16.698   1.5878   17.322 -167.9000 -14.83   0.93  -4.34   0.77 
1 1 1    9    7   21 o   34.621   0.9654   21.698 -135.8000  -5.62  -1.63  -1.50  -0.64 
1 1 1    9    7   22 o   22.261   1.0989   13.129 -147.6000 -13.54   2.94  -3.67   1.37 
1 1 1    9    7   23 o   9.6754   0.7096   26.785   33.000   7.86  -4.80  -1.92   4.38 
1 1 1    9    7   24 o   34.642   0.7396   37.861 -15.2000   8.13  -1.63  -3.84   0.76 
1 1 1    9    7   25 o   8.4438   1.2256   16.706 -169.3000 -21.74  11.41  -5.08   8.07 
1 1 1    9    7   26 o   18.070   0.9406   17.937  111.900 -24.74   7.65  -8.49   4.88 
1 1 1    9    7   27 o   5.4959   0.5761   7.0416 -145.6000  -3.63   1.17  -1.81   0.81 
1 1 1    9    7   28 o   9.7640   0.3269   8.8483   62.500  -0.12   0.09  -0.01   0.01 
1 1 1    9    7   29 o   9.2427   0.7196   10.906 -53.3000   6.02  -2.29  -1.32   0.76 
1 1 1    9    7   30 o   9.5536   0.3391   15.332 -172.3000  -2.85   2.15   1.48   3.66 
1 1 1    9    7   31 o   12.896   0.2752   16.669   68.400  -1.33   1.13  -1.93   0.17 
1 1 1    9    7   32 o   4.3210   1.9374   2.8456 -143.8000  -0.92  -4.39   0.68  -0.45 
1 1 1    9    7   33 f   8.3275   0.4172   7.7228 -107.8000  -0.02  -0.78  -0.37  -0.39 
1 1 1    9    7   34 o   3.7618   0.7360   1.5302 -177.8000  -0.28  -0.00   0.07  -0.00 
1 1 1    9    7   35 o   11.279   0.4349   5.6771 -52.1000   0.15  -0.27   0.01  -0.02 
1 1 1    9    7   36 o   3.2936   0.7971   3.2584 -74.4000   0.71   0.32  -0.09   0.16 
1 1 1    9    7   37 o   8.4569   0.5559   6.5546  172.000  -1.14  -0.32   0.00  -0.06 
1 1 1    9    7   38 o   4.8217   1.4432   3.9124  140.900  -0.63  -1.30   0.09  -0.01 
1 1 1    9    7   39 o   4.2971   0.8497   4.0955   3.7000  -0.07   0.06   0.00  -0.00 
1 1 1    9    7   40 f   2.3238   1.9107   4.2215 -11.2000   0.34  -0.17   0.00   0.00 
1 1 1    9    9    0 o   43.660   0.2935   43.513  -0.0000   0.15   0.00   0.00   0.00 
1 1 1    9    9    1 o   35.899   0.6096   42.353 -74.9000  -2.64  -3.87   0.96  -4.61 
1 1 1    9    9    2 f   17.725   0.5517   25.199  127.200  -3.65  -0.59  -1.89  -0.77 
1 1 1    9    9    3 o   9.5779   0.9211   13.848  118.300  -4.37  -8.55   4.00  -5.22 
1 1 1    9    9    4 o   18.965   0.4609   11.055  -6.5000  -0.79  -0.50  -0.21  -0.33 
1 1 1    9    9    5 o   24.721   2.4427   33.626   89.900  -1.32  23.68   6.01   0.83 
1 1 1    9    9    6 o   49.106   2.9928   49.619   79.600  20.98  22.85   0.27  -6.25 
1 1 1    9    9    7 o   81.916   2.4618   67.676 -152.6000  -8.75  -7.63  -0.02  -2.67 
1 1 1    9    9    8 f   16.035   3.1401   29.060 -35.5000  36.00  14.30  -6.71  -6.49 
1 1 1    9    9    9 o   37.145   1.1102   24.254   56.500   3.02  -1.82  -0.61   0.88 
1 1 1    9    9   10 o   32.353   0.4680   30.351 -132.0000  -0.43  -0.05  -0.17  -0.12 
1 1 1    9    9   11 o   39.417   2.1201   46.408   15.100  31.64  19.50  -4.36  -9.50 
1 1 1    9    9   12 o   13.612   0.6864   20.859 -91.1000   1.28  -4.87   1.10   0.58 
1 1 1    9    9   13 o   47.504   2.3665   34.750  157.500 -57.90  -3.61 -18.02  -2.98 
1 1 1    9    9   14 f   46.994   0.2237   49.581  127.000  -0.12   0.47   0.18  -2.28 
1 1 1    9    9   15 o   54.511   0.7282   62.458 -94.8000  24.15  -7.09 -15.33   7.64 
1 1 1    9    9   16 o   15.112   0.2134   4.2037   53.400  -0.06   0.60   0.34   0.20 
1 1 1    9    9   17 o   55.453   2.0378   53.670   21.900  13.24  -1.19  -4.19   1.59 
1 1 1    9    9   18 o   34.742   0.2930   37.658 -25.1000  -0.21  -0.00   0.00  -0.16 
1 1 1    9    9   19 o   20.493   0.2224   18.752   66.300   0.20  -0.29  -1.83  -0.07 
1 1 1    9    9   20 o   12.190   0.2533   18.755 -104.0000   4.43  -2.67  -3.90   5.40 
1 1 1    9    9   21 o   9.5441   1.6597   15.652 -166.2000 -26.28   0.27  -6.46  -0.01 
1 1 1    9    9   22 o   25.940   0.4569   25.551   94.600  -4.49   3.97  -0.67   2.35 
1 1 1    9    9   23 o   10.787   0.6523   10.812 -42.3000  11.61  -3.71  -5.16   3.08 
1 1 1    9    9   24 o   2.7684   0.7696   11.157   52.500   0.10  -0.01  -0.11  -0.18 
1 1 1    9    9   25 o   4.5590   0.5489   5.8890   68.000   0.53   0.94   0.71  -0.65 
1 1 1    9    9   26 o   13.764   1.1038   10.771 -55.0000  16.86  -3.56  -4.36   2.56 
1 1 1    9    9   27 o   8.2389   0.7623   10.182 -93.8000  -3.12  -3.14   0.14  -0.90 
1 1 1    9    9   28 o   8.7710   0.3968   12.023 -179.0000  -3.94   2.00  -0.63   3.01 
1 1 1    9    9   29 o   3.1236   0.7941   5.7592  133.500   0.64   0.68  -0.11  -0.26 
1 1 1    9    9   30 o   7.1071   0.4300   7.4557   34.900   0.17   0.34  -0.15   0.25 
1 1 1    9    9   31 f   6.7515   0.4028   7.6299   67.200   1.34   1.40   0.58  -0.66 
1 1 1    9    9   32 o   8.9342   0.3676   11.038 -132.2000  -0.54  -0.57  -0.38   0.59 
1 1 1    9    9   33 o   12.077   0.3608   5.8348 -85.0000  -1.30  -2.78   0.56  -0.09 
1 1 1    9    9   34 o   9.1042   0.4863   8.1376   77.400   0.59   2.91   0.36   0.11 
1 1 1    9    9   35 o   4.8750   1.0899   7.7359 -71.3000  -0.81  -1.56  -0.05  -0.20 
1 1 1    9    9   36 o   5.9433   0.5529   4.5923 -164.0000  -0.11   0.32  -0.01  -0.02 
1 1 1    9    9   37 f   5.4491   1.2004   8.3978  108.000   0.82   1.55  -0.02  -0.12 
1 1 1    9    9   38 o   7.4146   0.6889   6.0164 -75.9000  -1.21   1.19  -0.09   0.09 
1 1 1    9    9   39 o   9.2033   1.3635   5.5275 -68.9000   0.71  -0.29   0.00   0.00 
1 1 1    9   11    0 o   10.085   0.1993   8.5988 -180.0000   0.04   0.00   0.00   0.00 
1 1 1    9   11    1 f   24.191   2.3887   19.523  153.900 -19.75   2.84  -4.25   1.37 
1 1 1    9   11    2 f   11.358   0.2957   17.635 -34.1000   0.29  -0.87   0.26   0.23 
1 1 1    9   11    3 f   28.540   3.5047   40.276 -18.3000  28.63 -30.88   0.89   9.12 
1 1 1    9   11    4 o   32.006   0.7789   31.066  -5.7000   1.81  -1.81   0.06   0.58 
1 1 1    9   11    5 f   56.364   0.5450   72.043  162.800  -3.95 -14.60   8.34  -3.57 
1 1 1    9   11    6 o   44.273   0.3437   48.164  170.100  -0.01   2.92   4.07  -1.40 
1 1 1    9   11    7 f   48.478   0.5622   57.843 -159.2000   1.76  -3.73   0.86   0.79 
1 1 1    9   11    8 o   34.996   0.6266   36.120 -57.8000   2.50  -4.66   0.74   0.96 
1 1 1    9   11    9 o   45.665   0.2810   57.065 -33.9000  -0.06  -0.07  -0.04  -0.02 
1 1 1    9   11   10 o   27.054   0.4391   27.562   77.800   4.08  -0.31  -9.54  -0.68 
1 1 1    9   11   11 o   47.143   0.3661   45.810   73.000   0.09  -0.48  -2.39   1.15 
1 1 1    9   11   12 o   69.285   2.0157   69.341  132.800 -19.32   4.78  -5.39   2.13 
1 1 1    9   11   13 f   44.610   0.6910   20.407  167.300  -1.22  -0.17  -0.30  -0.27 
1 1 1    9   11   14 o   58.041   0.6812   52.618 -56.4000   1.33  -0.82  -0.71   0.32 
1 1 1    9   11   15 o   38.011   0.6440   34.087 -79.7000  -2.99  -3.25  -0.40  -2.19 
1 1 1    9   11   16 o   47.062   1.3858   39.305 -16.1000  10.82  -1.01  -3.37   1.26 
1 1 1    9   11   17 o   18.161   1.8519   11.092  174.000 -34.17 -10.49  -6.22  -4.47 
1 1 1    9   11   18 f   28.841   1.5738   17.511 -121.5000 -30.88   6.31 -10.11   5.12 
1 1 1    9   11   19 o   0.6433   0.8971   15.100  157.600  -0.08   0.08   0.00   0.03 
1 1 1    9   11   20 f   35.834   0.2257   31.041   99.500   0.91   0.89  -1.71  -1.09 
1 1 1    9   11   21 o   44.309   0.2437   39.475 -28.3000  -1.03  -0.96  -0.36  -0.32 
1 1 1    9   11   22 f   14.259   0.3601   5.1790 -48.1000  -4.50  -0.66  -1.62  -0.25 
1 1 1    9   11   23 o   15.663   0.2378   14.122  101.200   0.49   0.18  -0.05  -0.02 
1 1 1    9   11   24 o   7.0537   0.3482   11.877   91.000  -2.38   2.07  -0.93   2.22 
1 1 1    9   11   25 o   9.1591   0.3398   8.4243   86.300  -2.17  -0.12  -1.36   0.40 
1 1 1    9   11   26 f   25.091   0.3404   16.113 -91.2000   1.79  -1.75  -1.03   0.61 
1 1 1    9   11   27 o   7.6472   0.3641   5.0883  156.700  -0.93   0.75  -0.15   0.21 
1 1 1    9   11   28 f   5.3778   0.4926   8.1155   96.300   0.41   0.39  -0.18  -0.14 
1 1 1    9   11   29 o   3.5625   0.6622   2.4137   25.800   1.88  -0.61  -0.37   0.69 
1 1 1    9   11   30 o   4.6769   0.6333   4.0334   64.900   0.55  -0.54  -0.26   0.14 
1 1 1    9   11   31 o   10.770   0.2983   11.651 -148.1000  -0.81  -4.77   2.89   2.21 
1 1 1    9   11   32 o   7.8421   0.5830   6.6575 -147.0000  -2.31  -0.27  -0.23  -0.26 
1 1 1    9   11   33 f   8.4658   0.4022   7.0357  -0.6000   1.32   0.27   0.57   0.14 
1 1 1    9   11   34 o   0.0000   2.1844  ?   ?    0.30  -0.10   0.02  -0.09 
1 1 1    9   11   35 o   3.1557   0.8982   1.3490 -84.4000   0.17  -0.88  -0.20   0.10 
1 1 1    9   11   36 o   3.6216   0.8495   3.8163   28.800   0.04   0.30  -0.01  -0.01 
1 1 1    9   11   37 o   4.7454   0.6628   1.9119 -52.8000   1.18   0.31  -0.17   0.16 
1 1 1    9   11   38 o   8.1675   2.2571   5.1291 -119.3000   0.40  -0.33   0.01   0.00 
1 1 1    9   13    0 o   16.888   0.2076   4.2203   0.0000  -0.09   0.00   0.00   0.00 
1 1 1    9   13    1 o   20.880   1.4470   27.019 -148.5000 -17.67  -0.50  -3.70  -0.12 
1 1 1    9   13    2 o   45.647   1.3851   34.009   21.200   7.01  25.01   7.42  -3.96 
1 1 1    9   13    3 o   36.173   1.4881   32.213   0.8000  20.19 -10.49  -3.30   5.17 
1 1 1    9   13    4 o   41.370   1.9649   32.773  103.200  -3.74  43.87  10.57   1.45 
1 1 1    9   13    5 o   74.871   0.8507   45.721  160.400  -6.36  -2.29  -3.14  -1.43 
1 1 1    9   13    6 f   9.9441   0.4206   21.980  124.800  -0.14   2.04   1.35   0.33 
1 1 1    9   13    7 o   31.135   1.2287   4.6438   52.900  14.11   3.22  -9.34  -3.11 
1 1 1    9   13    8 o   27.835   1.1857   24.404  176.900  -3.80  -1.47  -0.43  -0.49 
1 1 1    9   13    9 o   24.125   2.4363   20.200 -145.2000 -21.13  10.05  -3.21   4.34 
1 1 1    9   13   10 o   23.036   0.5189   25.416 -78.8000   1.22  -1.35  -0.09   0.77 
1 1 1    9   13   11 o   27.987   2.5476   17.093 -148.9000  -2.50  -9.66   0.83  -0.53 
1 1 1    9   13   12 o   16.006   0.7857   20.261  -3.6000   1.78   2.50   0.38  -0.82 
1 1 1    9   13   13 o   12.126   0.2238   19.678 -40.0000   0.13  -0.21   0.01   0.06 
1 1 1    9   13   14 o   29.214   0.7031   29.587   95.800  -5.68   1.57  -2.19   0.89 
1 1 1    9   13   15 o   26.242   0.1789   18.160  150.900   0.15   0.10  -0.02  -0.01 
1 1 1    9   13   16 o   22.633   0.9755   23.098 -51.2000   1.62  -5.23   0.51   0.41 
1 1 1    9   13   17 o   13.476   0.1921   9.8502 -21.9000  -0.53   0.40  -0.20   0.33 
1 1 1    9   13   18 o   15.273   0.2383   5.4951  148.400  -0.86  -0.08  -0.26   0.03 
1 1 1    9   13   19 o   23.846   0.3675   23.648   85.500  -4.83   2.13  -3.02   1.88 
1 1 1    9   13   20 o   17.988   0.1901   16.050 -85.6000  -0.26  -0.32  -1.20   0.16 
1 1 1    9   13   21 o   24.982   0.8782   31.036 -80.3000  13.13  -9.96  -2.41   4.71 
1 1 1    9   13   22 o   10.169   0.8659   8.1888 -155.5000  -9.29   1.72  -2.35   0.62 
1 1 1    9   13   23 o   11.508   0.3215   13.337  101.400   1.59   0.75  -0.86  -0.42 
1 1 1    9   13   24 o   12.203   0.2434   17.508   51.400  -0.55   0.46   0.10   0.16 
1 1 1    9   13   25 o   2.2360   1.0418   3.7668 -158.0000  -1.17  -0.74  -0.73  -0.56 
1 1 1    9   13   26 o   3.7969   0.6408   5.2730 -155.3000   0.22  -0.09   0.04  -0.28 
1 1 1    9   13   27 o   10.030   0.7949   10.262  101.400 -18.70   5.07  -7.38   2.45 
1 1 1    9   13   28 o   2.9270   0.7555   2.7584   32.600   0.10  -0.01  -0.00   0.00 
1 1 1    9   13   29 o   3.2439   1.4456   2.7894 -70.6000  -2.39   0.92  -0.22   0.29 
1 1 1    9   13   30 o   3.6385   0.6630   6.2462   95.400  -0.60   0.98   0.34   0.07 
1 1 1    9   13   31 o   2.5476   1.2174   2.4792 -41.3000  -0.67   0.25  -0.07   0.01 
1 1 1    9   13   32 o   2.4883   0.8211   1.3986 -51.4000   0.27   0.62   0.13   0.17 
1 1 1    9   13   33 o   2.5601   0.8843   8.6536 -140.3000  -0.22  -0.16  -0.00   0.04 
1 1 1    9   13   34 o   5.8236   0.5207   4.8597 -143.7000  -0.20  -1.07   0.05   0.15 
1 1 1    9   13   35 o   3.6589   1.6477   2.8677 -27.9000  -0.80  -0.35  -0.05  -0.02 
1 1 1    9   13   36 o   3.8034   1.1295   2.6033 -44.2000   0.47  -0.12   0.02   0.03 
1 1 1    9   15    0 o   49.846   0.3387   33.628  180.000  -0.23   0.00   0.00   0.00 
1 1 1    9   15    1 o   16.844   0.4060   8.0879   13.000  -0.60  -2.06   1.95  -2.22 
1 1 1    9   15    2 o   53.937   1.3440   48.104 -50.4000   8.22   0.20  -1.42  -0.30 
1 1 1    9   15    3 f   9.5016   0.9054   22.903 -176.3000  -3.53  -0.85  -0.73  -0.42 
1 1 1    9   15    4 o   29.825   0.1631   9.3846  111.500   0.37   0.10   0.65  -0.74 
1 1 1    9   15    5 o   10.170   0.2813   12.925 -130.6000  -0.87  -1.06   0.02  -1.45 
1 1 1    9   15    6 o   20.076   0.4374   18.738   94.900   6.10   2.81  -3.88  -3.49 
1 1 1    9   15    7 o   6.9564   1.9119   6.4284  132.800 -17.58 -14.67  -0.88  -5.22 
1 1 1    9   15    8 o   13.495   0.2676   8.2680  167.200  -2.71   1.09  -1.13   1.38 
1 1 1    9   15    9 o   16.631   0.1570   12.305 -172.7000   0.03  -0.55   0.15  -0.02 
1 1 1    9   15   10 f   20.764   0.5234   21.816   18.600   3.85  -3.23  -0.11   2.07 
1 1 1    9   15   11 o   21.837   1.0249   21.903 -76.7000  18.38  -5.03  -5.00   2.59 
1 1 1    9   15   12 o   16.648   0.5553   21.872 -168.1000  -3.44   1.74  -0.56   0.93 
1 1 1    9   15   13 o   16.914   0.7136   16.567   26.900   8.10  -3.74  -1.23   1.70 
1 1 1    9   15   14 o   12.806   0.3642   20.180  179.900  -2.48  -0.63  -0.94  -0.74 
1 1 1    9   15   15 o   15.011   0.9665   7.1157   1.9000  15.01   1.85  -4.01  -1.28 
1 1 1    9   15   16 o   36.915   0.2979   34.566 -49.4000   3.99   0.42  -2.53  -2.61 
1 1 1    9   15   17 o   16.395   0.4446   14.735  128.100  11.79   0.19 -10.94   2.49 
1 1 1    9   15   18 o   22.562   0.3647   27.974   77.700   2.98   0.56  -1.03   0.05 
1 1 1    9   15   19 o   11.645   0.4058   4.5479  163.500  -3.94   0.51  -1.65   0.91 
1 1 1    9   15   20 o   4.5835   0.6884   8.4457 -88.3000   0.82  -1.72   0.17   0.26 
1 1 1    9   15   21 f   6.0240   0.3664   2.9583   31.800  -0.44   0.43   0.15   0.22 
1 1 1    9   15   22 o   8.9321   0.7277   10.135  167.100  -4.36   3.01  -0.36   0.64 
1 1 1    9   15   23 o   6.3558   0.3784   8.5012 -107.1000   0.33  -0.43  -0.01   0.06 
1 1 1    9   15   24 o   5.8710   0.4304   3.0478   88.200   0.35  -0.04  -0.05  -0.03 
1 1 1    9   15   25 o   2.6680   0.7341   4.2014 -146.1000  -0.03  -0.20   0.00  -0.06 
1 1 1    9   15   26 o   9.4894   0.3014   8.2987 -41.6000  -0.19   0.19   0.04  -0.11 
1 1 1    9   15   27 o   3.9497   0.6160   5.1742  -2.9000   0.21   0.42  -0.08   0.30 
1 1 1    9   15   28 o   4.3741   0.5941   4.5189 -160.0000   1.64  -0.74  -0.51   0.06 
1 1 1    9   15   29 o   4.9388   0.5027   7.5280   95.700  -0.22   0.14   0.01   0.01 
1 1 1    9   15   30 o   12.073   0.2992   11.501   52.500   0.24   3.21  -0.41   1.64 
1 1 1    9   15   31 o   1.1307   1.0782   2.4128  101.100  -0.05  -0.05   0.00  -0.00 
1 1 1    9   15   32 o   3.2580   0.7853   6.3703 -167.5000  -0.67   0.40   0.15   0.04 
1 1 1    9   15   33 o   7.0359   0.5376   4.7844 -110.9000  -0.58  -0.48   0.10  -0.01 
1 1 1    9   15   34 o   2.6815   1.3371   1.3531  -2.0000   0.23   0.10  -0.01   0.01 
1 1 1    9   17    0 o   13.686   0.2405   15.423   0.0000   0.00   0.00   0.00   0.00 
1 1 1    9   17    1 o   0.6233   0.7038   6.5402 -97.1000   0.22  -0.16  -0.02   0.05 
1 1 1    9   17    2 o   2.7772   0.4283   11.231 -125.8000  -0.59   0.42  -0.17   0.77 
1 1 1    9   17    3 o   16.403   1.4680   10.483 -75.8000   7.78 -20.90   3.11   2.47 
1 1 1    9   17    4 o   25.081   0.4034   11.044  162.500   0.36  -1.45   0.54   0.07 
1 1 1    9   17    5 o   18.883   0.1463   11.263 -60.7000   1.92  -2.21  -0.20   1.82 
1 1 1    9   17    6 o   19.503   0.3970   22.353 -21.7000   5.93   1.35  -2.01  -1.34 
1 1 1    9   17    7 o   21.640   0.1497   21.756   62.400  -0.94   0.24  -0.92  -0.12 
1 1 1    9   17    8 o   32.628   0.7589   35.189   84.400 -13.65   7.47  -6.03   6.40 
1 1 1    9   17    9 o   10.104   0.5716   7.1050  157.000  -3.90   0.03  -1.00  -0.06 
1 1 1    9   17   10 o   20.842   0.6037   22.227  172.000  -3.34  16.16   8.10   2.46 
1 1 1    9   17   11 o   8.5205   0.4875   7.3135 -86.5000   6.20  -3.70  -2.32   3.57 
1 1 1    9   17   12 o   18.615   0.8990   26.131 -95.7000  -1.15 -10.08   2.07  -0.80 
1 1 1    9   17   13 o   13.679   0.8871   11.873   15.800   3.29  -5.24   0.35   0.57 
1 1 1    9   17   14 o   10.214   0.4440   10.003 -108.2000  -2.18   0.94  -0.25   0.38 
1 1 1    9   17   15 o   11.060   0.2125   9.3812   32.200   1.05   0.30  -0.36  -0.70 
1 1 1    9   17   16 o   10.978   0.2044   6.8161   48.100   0.03   0.12  -0.08  -0.06 
1 1 1    9   17   17 o   16.661   0.8164   16.496  154.000 -18.00   2.53  -6.39   0.61 
1 1 1    9   17   18 o   5.0293   0.7848   3.6878 -178.3000  -2.70  -0.71  -0.34  -0.14 
1 1 1    9   17   19 o   19.949   0.1692   17.477 -142.2000  -0.71  -0.73  -0.71   1.18 
1 1 1    9   17   20 o   3.7200   0.5201   7.9836   94.500   1.99  -0.48  -0.52   0.53 
1 1 1    9   17   21 f   16.497   0.7210   9.2517   24.900   8.51  -1.81  -1.19   0.24 
1 1 1    9   17   22 o   7.0804   0.3256   2.8173 -118.3000   0.22  -0.40  -0.00   0.06 
1 1 1    9   17   23 o   9.9691   0.2739   4.0115 -87.7000   0.64   0.83  -0.16  -0.20 
1 1 1    9   17   24 o   8.8486   0.2772   4.2065   40.400   0.51   3.54   0.90  -1.11 
1 1 1    9   17   25 o   3.7296   0.5555   1.8766 -75.8000   0.05  -0.02   0.00  -0.00 
1 1 1    9   17   26 o   9.1042   0.3000   11.764 -75.6000  -1.54  -3.05  -1.24  -1.74 
1 1 1    9   17   27 o   8.2132   0.3141   8.7702   83.600   0.40   0.34   0.07   0.13 
1 1 1    9   17   28 o   4.3315   0.5979   4.8178   92.400   0.85   0.10  -0.07   0.05 
1 1 1    9   17   29 f   6.1570   0.4229   3.5052 -162.8000   0.44   0.17   0.05   0.07 
1 1 1    9   17   30 o   5.6850   0.5262   5.8416   33.100   0.07   0.20  -0.00  -0.00 
1 1 1    9   17   31 o   5.7394   0.5069   5.4098 -148.1000  -0.48  -0.59   0.12   0.26 
1 1 1    9   17   32 o   10.183   0.6295   7.7415 -175.4000   0.25   0.23  -0.01   0.00 
1 1 1    9   19    0 o   28.480   0.2316   30.917  180.000  -0.86   0.00   0.00   0.00 
1 1 1    9   19    1 o   18.804   0.2207   15.019 -133.0000  -1.10  -2.62   1.01  -0.47 
1 1 1    9   19    2 o   34.090   0.7918   37.329 -107.3000  -3.78  -3.20  -1.07  -1.39 
1 1 1    9   19    3 o   9.5502   0.1789   16.657   65.200  -0.37   0.45  -0.07   0.26 
1 1 1    9   19    4 o   21.282   0.3069   23.377 -33.7000   0.86  -0.23  -0.11   0.33 
1 1 1    9   19    5 o   9.1424   0.6580   8.3294 -144.7000  -8.49  -2.44  -3.72  -1.78 
1 1 1    9   19    6 o   43.115   0.8073   35.068   38.000   6.28   3.77  -0.10  -1.61 
1 1 1    9   19    7 o   23.437   0.6841   15.513 -73.7000  13.32  -0.02  -5.80   1.38 
1 1 1    9   19    8 o   25.833   1.0120   24.185  148.300  -8.22  -1.91  -1.24  -0.97 
1 1 1    9   19    9 o   23.147   0.1575   20.807   26.100  -1.30  -0.24   0.76   3.31 
1 1 1    9   19   10 o   13.858   0.1610   10.233  147.000  -0.69   0.16  -0.40  -0.28 
1 1 1    9   19   11 o   10.885   0.4417   10.194   45.900   0.43   4.47   1.20   0.02 
1 1 1    9   19   12 o   11.618   0.1942   12.453 -139.4000   0.92  -1.21  -0.03   0.35 
1 1 1    9   19   13 o   20.418   0.1645   23.370  171.200  -0.25  -0.13   0.10   0.02 
1 1 1    9   19   14 o   7.4591   0.3265   10.998 -80.6000   0.51  -1.24   0.12   0.21 
1 1 1    9   19   15 o   10.363   0.2091   4.9039   72.600   0.07   0.07  -0.02   0.00 
1 1 1    9   19   16 o   4.4444   0.3902   5.3407 -32.7000   1.77   0.48  -0.68  -0.99 
1 1 1    9   19   17 o   14.696   0.2948   7.4250 -116.2000   1.81  -1.27   0.01   0.28 
1 1 1    9   19   18 o   12.926   0.6121   8.5212  166.200  -6.42   2.37  -1.80   0.78 
1 1 1    9   19   19 f   3.4676   0.5173   1.8609  114.900   0.04  -0.12   0.00   0.00 
1 1 1    9   19   20 o   4.9526   0.3764   5.3168   36.400   1.17  -0.06  -0.18   0.12 
1 1 1    9   19   21 o   3.2796   0.5450   8.0045 -59.6000   0.46  -0.71  -0.09   0.27 
1 1 1    9   19   22 o   3.4278   0.6550   0.7076 -154.3000  -0.77   0.72   0.03   0.09 
1 1 1    9   19   23 o   2.6274   0.6425   0.5710  149.300  -0.38   0.22  -0.10  -0.01 
1 1 1    9   19   24 o   3.4508   0.5870   1.1873   58.000  -0.10   0.01   0.01   0.00 
1 1 1    9   19   25 o   4.1383   0.7804   0.3855  120.400   1.19   0.60  -0.00  -0.14 
1 1 1    9   19   26 o   5.9471   1.0164   2.8580 -51.5000   1.48  -1.69  -0.06   0.15 
1 1 1    9   19   27 o   3.6054   0.8099   6.7620  101.700  -1.60   0.37  -0.24  -0.07 
1 1 1    9   19   28 o   4.6210   0.5313   2.5252 -79.1000   0.56  -0.30   0.07   0.09 
1 1 1    9   19   29 f   5.1330   0.6952   5.6075 -49.0000  -0.39  -0.57  -0.14   0.04 
1 1 1    9   21    0 o   4.2779   0.4235   5.1933 -180.0000  -0.13   0.00   0.00   0.00 
1 1 1    9   21    1 o   6.0600   0.3322   7.2364 -109.0000   0.07   0.54   0.04  -0.00 
1 1 1    9   21    2 f   7.0014   0.2217   12.470   65.000  -0.28  -0.18  -0.02  -0.03 
1 1 1    9   21    3 o   9.4854   0.1674   14.268  102.700  -0.21   0.24  -0.42  -0.46 
1 1 1    9   21    4 o   14.740   0.4405   16.525 -135.4000  -0.95  -1.70   0.06  -0.23 
1 1 1    9   21    5 o   12.128   0.2226   12.083 -78.7000   2.22  -1.20  -0.96   0.63 
1 1 1    9   21    6 o   12.365   0.4350   16.382 -61.2000  -1.27  -4.72   0.79  -0.75 
1 1 1    9   21    7 o   9.0901   0.1752   8.9343 -39.2000   0.05  -0.07   0.02  -0.02 
1 1 1    9   21    8 o   7.5309   0.1978   12.390   80.300  -0.01   0.02   0.00  -0.00 
1 1 1    9   21    9 o   14.064   0.3335   14.964   44.700   0.06   4.02   1.89   0.94 
1 1 1    9   21   10 o   6.6862   0.2516   10.791   92.600  -1.80   0.43  -2.44  -0.61 
1 1 1    9   21   11 o   4.9989   0.3112   8.3528 -178.4000  -0.46   0.21   1.67   0.00 
1 1 1    9   21   12 o   14.832   0.4587   11.284 -164.3000  -8.46   4.54  -0.75   2.09 
1 1 1    9   21   13 o   4.5751   0.3660   6.2490  104.900  -0.46   0.83   0.01   0.25 
1 1 1    9   21   14 o   4.7566   0.3314   4.2080 -142.6000  -0.26  -0.00  -0.02   0.01 
1 1 1    9   21   15 o   12.266   0.1812   8.3724  158.400  -3.71  -2.75  -0.81  -0.91 
1 1 1    9   21   16 o   8.0492   0.2498   11.590 -62.4000   0.91  -0.42  -0.72  -0.61 
1 1 1    9   21   17 o   11.297   0.1902   11.902 -121.7000   0.01   1.28  -1.27  -1.15 
1 1 1    9   21   18 o   7.9498   0.6332   13.217   57.200  -4.20   3.72  -0.65   1.10 
1 1 1    9   21   19 f   7.5982   0.4791   6.5100 -20.1000   2.87  -1.04  -0.69   0.07 
1 1 1    9   21   20 o   7.2428   0.2960   7.4695  147.100   0.36   0.65  -0.07  -0.11 
1 1 1    9   21   21 o   2.1134   0.6876   1.5539   30.900   0.06   0.08   0.01   0.00 
1 1 1    9   21   22 o   6.4559   0.3439   8.9407 -151.6000   0.34  -0.37  -0.06   0.01 
1 1 1    9   21   23 o   4.6115   0.4555   5.3021   13.900   0.39   0.22   0.03   0.13 
1 1 1    9   21   24 o   5.3710   0.4150   7.2519 -90.8000  -0.48   0.75   0.10   0.04 
1 1 1    9   21   25 o   5.1769   0.4356   2.1687  165.600  -0.55  -0.04   0.27  -0.05 
1 1 1    9   21   26 o   4.7866   1.2436   3.0446   49.100   0.17  -0.06  -0.00  -0.00 
1 1 1    9   23    0 o   6.5115   0.3216   1.1091   0.0000   0.03   0.00   0.00   0.00 
1 1 1    9   23    1 o   2.6571   0.7633   3.1993 -165.7000  -0.93  -1.69   0.20  -0.23 
1 1 1    9   23    2 f   3.8729   0.3352   5.6397   80.000  -0.34   0.62   0.11   0.07 
1 1 1    9   23    3 o   7.3355   0.2840   5.6768 -86.5000  -0.16  -2.84   0.70   0.15 
1 1 1    9   23    4 o   4.1183   0.3492   4.2173   50.300  -1.04   0.13  -0.12  -0.00 
1 1 1    9   23    5 o   4.1597   0.2857   9.7539   35.100   0.40   0.32   0.06  -0.14 
1 1 1    9   23    6 o   3.9903   0.3235   5.2026 -122.7000  -1.50  -1.16  -0.75  -0.84 
1 1 1    9   23    7 o   10.064   0.1717   8.2460  176.700   0.94   0.43   0.03  -0.33 
1 1 1    9   23    8 o   5.8807   0.2349   3.9424   30.500  -1.28   1.68  -0.60   1.57 
1 1 1    9   23    9 o   3.9636   0.5326   6.2445 -11.0000   0.24  -0.05  -0.00   0.00 
1 1 1    9   23   10 f   14.010   0.1563   11.196 -179.1000  -1.59   1.96   1.76  -0.33 
1 1 1    9   23   11 o   3.9983   0.3262   1.0636 -108.1000   0.10  -0.08   0.02   0.01 
1 1 1    9   23   12 o   7.0962   0.2656   5.9687   51.800   0.06  -0.19   0.01  -0.02 
1 1 1    9   23   13 f   4.6997   0.7638   5.7683  128.200  -2.24   0.21  -0.24  -0.03 
1 1 1    9   23   14 o   2.5516   0.5171   3.2917 -84.1000  -0.42  -0.07  -0.06   0.03 
1 1 1    9   23   15 o   6.6121   0.3650   8.4905 -107.8000  -0.27  -1.11   0.28   0.24 
1 1 1    9   23   16 o   1.3454   0.7666   0.8223   47.500  -0.07  -0.03  -0.00   0.00 
1 1 1    9   23   17 o   6.1036   0.5280   4.7340   32.500   1.20   0.63   0.01  -0.16 
1 1 1    9   23   18 o   4.5885   0.3802   2.6683 -84.9000   0.49  -0.06   0.08   0.13 
1 1 1    9   23   19 o   3.1516   0.6425   1.5260 -71.9000  -0.30  -0.04  -0.01   0.00 
1 1 1    9   23   20 o   2.8435   0.5956   2.8019   36.100   0.13   0.18  -0.07   0.01 
1 1 1    9   23   21 o   4.4365   0.5468   5.1549   57.000   0.13   0.22   0.01   0.05 
1 1 1    9   25    0 o   3.0331   0.5384   5.6657 -180.0000  -0.06   0.00   0.00   0.00 
1 1 1    9   25    1 o   4.6595   0.2794   2.4716 -158.9000  -0.32  -0.88   0.34   0.09 
1 1 1    9   25    2 o   1.7696   0.8217   1.1280 -90.3000   0.26  -0.05  -0.01   0.00 
1 1 1    9   25    3 o   0.0000   1.4052  ?   ?    0.14   0.16  -0.06  -0.06 
1 1 1    9   25    4 o   3.7623   0.3303   7.5423   12.900   0.36  -0.05  -0.01   0.10 
1 1 1    9   25    5 o   3.7198   1.0398   4.3914 -150.9000  -2.55   1.28  -0.11   0.22 
1 1 1    9   25    6 o   9.1302   0.1864   9.7101  151.700  -0.65  -0.16  -0.06   0.17 
1 1 1    9   25    7 o   9.6689   0.1729   5.9582   39.100   0.39   0.92   0.21   0.13 
1 1 1    9   25    8 o   4.5709   0.2936   4.7701 -83.6000   0.11   0.07  -0.01   0.00 
1 1 1    9   25    9 o   0.0000   1.4025  ?   ?    0.67   0.30  -0.06  -0.17 
1 1 1    9   25   10 f   4.3290   0.3115   2.9055 -69.7000   0.11   0.77   0.15   0.12 
1 1 1    9   25   11 o   6.7385   0.2712   9.8292   90.700  -1.54   0.37  -0.52  -0.16 
1 1 1    9   25   12 o   5.1948   0.2909   3.3655  120.600  -0.18  -0.41   0.15   0.15 
1 1 1    9   25   13 f   11.382   0.3303   14.314 -129.5000  -0.49  -0.06  -0.01  -0.03 
1 1 1    9   25   14 f   5.2330   0.6733   5.4271 -91.7000  -0.49  -0.52   0.02  -0.03 
1 1 1    9   25   15 o   6.0561   0.5888   3.6970 -51.6000   0.01  -0.64   0.02   0.06 
1 1 1   10    0    0 o   65.451   0.5755   77.456  -0.0000  -0.08   0.00   0.00   0.00 
1 1 1   10    0    1 o   65.635   0.4133   75.617 -90.0000  -0.00  -0.16   0.00   0.00 
1 1 1   10    0    2 o   23.965   0.2048   16.108  -0.0000  -0.09   0.00   0.00   0.00 
1 1 1   10    0    3 o   27.100   0.2033   13.108   90.000  -0.00  -0.08   0.00   0.00 
1 1 1   10    0    4 o   81.070   0.4788   48.857 -180.0000   0.60   0.00   0.00   0.00 
1 1 1   10    0    5 o   66.768   0.3960   69.717   90.000   0.00   0.51   0.00   0.00 
1 1 1   10    0    6 o   24.731   0.2005   11.178   0.0000   0.00   0.00   0.00   0.00 
1 1 1   10    0    7 o   50.676   0.3333   88.265   90.000   0.00   0.05   0.00   0.00 
1 1 1   10    0    8 o   30.425   0.2267   23.624  -0.0000  -0.05   0.00   0.00   0.00 
1 1 1   10    0    9 o   40.065   0.2628   48.038 -90.0000   0.00   0.07   0.00   0.00 
1 1 1   10    0   10 o   14.464   0.1978   6.6207  -0.0000  -0.02   0.00   0.00   0.00 
1 1 1   10    0   11 o   26.279   0.2076   39.134 -90.0000  -0.00  -0.27   0.00   0.00 
1 1 1   10    0   12 o   4.4833   0.4899   1.2340   0.0000  -0.01   0.00   0.00   0.00 
1 1 1   10    0   13 o   28.862   0.2541   28.668 -90.0000   0.00   0.32   0.00   0.00 
1 1 1   10    0   14 o   17.395   0.2465   29.392  -0.0000   0.05   0.00   0.00   0.00 
1 1 1   10    0   15 f   33.243   0.2537   43.497 -90.0000  -0.00  -0.48   0.00   0.00 
1 1 1   10    0   16 o   43.816   0.3161   47.689   0.0000  -0.10   0.00   0.00   0.00 
1 1 1   10    0   17 o   18.398   0.2546   25.108   90.000   0.00   0.25   0.00   0.00 
1 1 1   10    0   18 o   35.876   0.2985   43.293  180.000   0.04   0.00   0.00   0.00 
1 1 1   10    0   19 o   37.786   0.3084   35.949   90.000  -0.00  -0.30   0.00   0.00 
1 1 1   10    0   20 o   2.4698   1.2259   10.083 -180.0000   0.01   0.00   0.00   0.00 
1 1 1   10    0   21 o   32.112   0.4135   28.629   90.000   0.00   0.49   0.00   0.00 
1 1 1   10    0   22 o   32.382   0.3150   36.714  180.000  -0.09   0.00   0.00   0.00 
1 1 1   10    0   23 o   40.320   0.3309   42.321 -90.0000  -0.00  -1.30   0.00   0.00 
1 1 1   10    0   24 o   11.472   0.3836   3.4464 -180.0000  -0.03   0.00   0.00   0.00 
1 1 1   10    0   25 o   3.1623   1.0030   1.0363 -90.0000   0.00   0.07   0.00   0.00 
1 1 1   10    0   26 f   0.0000   3.0331   7.0158  -0.0000  -0.02   0.00   0.00   0.00 
1 1 1   10    0   27 o   2.3875   1.1005   4.7671 -90.0000  -0.00  -0.03   0.00   0.00 
1 1 1   10    0   28 o   9.3005   0.4702   0.5408   0.0000   0.26   0.00   0.00   0.00 
1 1 1   10    0   29 o   15.195   0.3316   17.377   90.000   0.00   0.56   0.00   0.00 
1 1 1   10    0   30 o   10.445   0.4713   11.956  -0.0000   0.21   0.00   0.00   0.00 
1 1 1   10    0   31 o   2.7568   1.2655   5.2535 -90.0000  -0.00  -0.12   0.00   0.00 
1 1 1   10    0   32 o   4.9295   0.8678   7.3628  180.000  -0.38   0.00   0.00   0.00 
1 1 1   10    0   33 o   7.9120   0.6411   8.8679 -90.0000   0.00   0.33   0.00   0.00 
1 1 1   10    0   34 o   1.1832   1.3277   6.8668  180.000   0.09   0.00   0.00   0.00 
1 1 1   10    0   35 o   5.1381   0.8355   0.5275 -90.0000  -0.00  -0.55   0.00   0.00 
1 1 1   10    0   36 o   11.009   0.4783   7.2512   0.0000  -0.39   0.00   0.00   0.00 
1 1 1   10    0   37 o   0.0000   3.2558   3.3693   90.000   0.00   0.07   0.00   0.00 
1 1 1   10    0   38 o   0.0000   3.6469   3.0164   0.0000   0.20   0.00   0.00   0.00 
1 1 1   10    0   39 o   0.0000   3.3912   1.9823 -90.0000   0.00   0.08   0.00   0.00 
1 1 1   10    0   40 o   7.3621   1.6463   3.7965  180.000  -0.20   0.00   0.00   0.00 
1 1 1   10    2    0 o   32.799   0.2526   22.708   0.0000  -0.30   0.00   0.00   0.00 
1 1 1   10    2    1 o   67.975   2.1687   59.531 -107.6000  13.10 -19.76   2.53   8.09 
1 1 1   10    2    2 o   9.2407   1.0950   3.9696   16.300  10.09   4.12  -3.91  -4.00 
1 1 1   10    2    3 o   96.277   1.5393   78.094  130.800  -3.43   3.16  -0.37   1.02 
1 1 1   10    2    4 o   40.059   0.6893   51.497 -100.0000   2.98  -2.56  -0.04   0.94 
1 1 1   10    2    5 o   93.706   1.5477   96.211   61.900  11.41   4.47  -2.85  -1.82 
1 1 1   10    2    6 o   26.131   0.8034   34.194   82.600   1.40   3.40   0.84  -0.71 
1 1 1   10    2    7 o   51.119   0.8904   38.213 -95.9000  -3.06  -3.90   0.13  -1.39 
1 1 1   10    2    8 o   14.624   0.3831   13.315   8.9000  -2.39  -0.43  -2.93  -1.51 
1 1 1   10    2    9 o   17.318   0.3600   31.413 -56.3000   0.21  -1.20   0.33   0.09 
1 1 1   10    2   10 f   31.315   1.0001   25.340   62.000  -8.21   5.62  -1.31   4.23 
1 1 1   10    2   11 o   34.010   2.1368   54.046 -98.5000  -2.43 -12.53   2.41  -0.84 
1 1 1   10    2   12 o   19.758   2.5885   20.116 -76.7000  30.99 -11.19  -6.04   5.22 
1 1 1   10    2   13 o   37.461   1.7962   36.715 -91.8000 -19.66  -9.00  -4.19  -4.41 
1 1 1   10    2   14 o   47.107   2.5897   47.258   1.5000  30.34  -4.84 -10.79   2.83 
1 1 1   10    2   15 f   46.872   1.2235   47.862   64.400  20.39   1.48  -7.72  -0.56 
1 1 1   10    2   16 o   60.884   1.6488   62.032  141.300 -24.62   2.10 -11.27   0.78 
1 1 1   10    2   17 o   13.802   0.4885   11.390  169.400  -4.00   1.04  -1.53   0.97 
1 1 1   10    2   18 o   18.418   0.9302   15.875 -71.5000  23.19   3.54 -14.95  -5.29 
1 1 1   10    2   19 o   40.592   0.8986   37.138   44.400   7.52   0.75  -3.18   0.00 
1 1 1   10    2   20 o   8.9236   1.6314   3.5214 -94.6000  17.45  -0.24  -6.62   0.38 
1 1 1   10    2   21 o   10.922   1.0237   11.670  -2.4000   5.24   0.15  -1.97  -0.26 
1 1 1   10    2   22 o   24.883   0.3245   26.529 -114.3000   2.28  -1.31 -12.05   3.30 
1 1 1   10    2   23 o   17.833   0.6743   19.892 -163.0000  -3.48   2.23  -1.03   1.61 
1 1 1   10    2   24 o   18.755   1.7127   22.739   74.300  46.44  11.65 -11.82  -5.82 
1 1 1   10    2   25 o   15.920   0.6220   15.901 -48.1000   8.03  -4.77  -2.59   3.58 
1 1 1   10    2   26 o   4.4315   0.8510   5.3318 -67.9000  -4.54  -0.95  -2.33  -0.73 
1 1 1   10    2   27 o   22.671   0.2143   14.884 -44.3000  -0.24  -0.23   0.01  -0.03 
1 1 1   10    2   28 f   4.3056   0.6561   7.0125  -0.9000   0.90  -0.32  -0.16   0.24 
1 1 1   10    2   29 o   7.6784   0.9464   1.5491   27.900   6.82  -1.16  -1.58   0.81 
1 1 1   10    2   30 o   11.071   0.3679   7.5512 -169.4000  -0.76  -0.97  -0.16  -0.35 
1 1 1   10    2   31 o   14.766   0.2694   18.382  122.500  -0.11  -0.38   0.02   0.00 
1 1 1   10    2   32 f   13.193   0.4753   9.1749   72.400   4.16   2.63  -2.28  -1.08 
1 1 1   10    2   33 o   4.0335   0.7231   5.9355 -120.7000  -0.06  -0.53  -0.12  -0.25 
1 1 1   10    2   34 o   4.0343   0.7462   5.9416 -174.6000   0.10  -0.85  -0.08   0.28 
1 1 1   10    2   35 o   5.6738   0.5913   4.8792 -131.3000  -0.58   0.02   0.17  -0.02 
1 1 1   10    2   36 o   5.1871   0.6710   3.7712 -31.2000   0.46   0.03  -0.01   0.03 
1 1 1   10    2   37 f   6.2440   0.5700   3.6295  -4.0000   0.06  -0.32   0.00  -0.01 
1 1 1   10    2   38 o   6.7285   0.6232   5.5303 -48.6000   0.97   0.07   0.00  -0.06 
1 1 1   10    2   39 o   5.3094   0.5948   4.6485   2.9000  -0.28   0.20  -0.02  -0.01 
1 1 1   10    2   40 o   6.0001   0.9229   3.0688 -160.3000   0.29   0.24   0.01   0.01 
1 1 1   10    4    0 o   79.758   0.4693   81.905  -0.0000  -0.21   0.00   0.00   0.00 
1 1 1   10    4    1 o   21.480   0.4989   24.573  117.300  -1.41   1.86   0.30   0.78 
1 1 1   10    4    2 o   41.237   0.7416   38.355  177.000  -4.38  -0.90  -1.08  -0.33 
1 1 1   10    4    3 o   12.896   1.7131   18.859  -4.6000   1.72  17.18   4.21  -0.92 
1 1 1   10    4    4 o   33.852   0.2368   22.416 -76.7000   0.78  -0.37  -1.65   0.50 
1 1 1   10    4    5 o   17.710   0.5306   24.964  151.800  -0.26  -3.06   2.14  -0.57 
1 1 1   10    4    6 o   24.590   1.0558   21.322 -149.3000   0.15  -5.45   1.37  -0.01 
1 1 1   10    4    7 o   52.318   0.9087   58.459 -150.5000  -7.30   2.20  -3.36   1.53 
1 1 1   10    4    8 o   64.004   0.2690   52.366   97.300  -0.85   0.49  -2.20  -0.16 
1 1 1   10    4    9 o   37.008   1.4778   17.052   82.400   8.38   0.87  -2.85  -0.84 
1 1 1   10    4   10 o   8.5910   0.2304   13.170   18.800   1.32   0.71  -1.27  -1.59 
1 1 1   10    4   11 f   52.318   0.2446   50.391 -50.2000   0.62   0.71  -0.95  -1.22 
1 1 1   10    4   12 o   48.690   0.5171   50.670 -73.1000   3.59  -1.22 -10.37   1.83 
1 1 1   10    4   13 o   10.731   1.5447   11.237  111.400 -12.71   2.41  -3.50   1.45 
1 1 1   10    4   14 o   41.361   1.7757   25.231  135.300 -42.68   5.77 -17.99   4.08 
1 1 1   10    4   15 o   24.167   1.1482   32.349   12.100  24.40  -7.36  -9.53   6.83 
1 1 1   10    4   16 o   12.956   1.3824   11.688 -42.0000  38.13   2.07 -18.65  -2.35 
1 1 1   10    4   17 o   15.376   0.8398   22.153 -92.1000  17.94  -4.57  -8.98   4.53 
1 1 1   10    4   18 o   35.149   0.2805   35.594   90.600   2.10   0.60  -2.45  -0.10 
1 1 1   10    4   19 o   48.463   0.8819   49.537   75.200   9.37   0.77  -5.88   0.61 
1 1 1   10    4   20 o   39.025   0.8736   25.345 -23.8000   2.73   0.36  -1.06  -0.78 
1 1 1   10    4   21 o   30.501   1.2241   35.332 -127.7000 -11.71  -1.23  -3.81  -0.37 
1 1 1   10    4   22 o   12.682   0.5450   17.265  114.200 -11.14  -1.78 -12.59  -5.61 
1 1 1   10    4   23 o   7.3103   1.2544   5.9910 -154.8000  -7.69   2.44  -1.37   0.90 
1 1 1   10    4   24 o   20.852   0.5640   15.593 -106.8000 -14.15   0.34  -6.90   1.27 
1 1 1   10    4   25 o   17.270   0.7138   21.366 -51.0000  10.74  -0.74  -5.06   0.02 
1 1 1   10    4   26 o   4.4686   0.6022   7.5476 -46.8000   0.38   0.00  -0.08  -0.02 
1 1 1   10    4   27 o   19.661   0.9912   21.424   6.7000  11.39  11.35  -1.26  -6.24 
1 1 1   10    4   28 o   8.9105   0.3500   3.2013 -49.3000   0.33   0.16   0.24  -0.29 
1 1 1   10    4   29 o   6.3125   0.4260   7.8251  179.600   0.95   0.13  -0.27  -0.97 
1 1 1   10    4   30 o   10.220   0.3276   12.151  101.200  -0.57   0.50  -0.51   0.04 
1 1 1   10    4   31 o   7.5915   0.4296   8.2126  104.400  -2.25   3.35   0.03   1.27 
1 1 1   10    4   32 o   4.8923   0.6981   3.4809   43.800  -0.49   0.63   0.06   0.07 
1 1 1   10    4   33 o   8.1322   0.4104   6.7883  146.900  -0.08  -1.07  -0.07   0.76 
1 1 1   10    4   34 f   0.1733   0.6917   1.1016   79.200   0.15   0.31  -0.16  -0.02 
1 1 1   10    4   35 o   0.0000   2.1879  ?   ?   -0.22   0.13  -0.02   0.00 
1 1 1   10    4   36 o   4.0880   0.7316   4.7786 -103.0000   0.54  -0.70  -0.17  -0.01 
1 1 1   10    4   37 o   8.4550   0.4307   7.2435 -113.0000  -0.01  -1.76  -0.01   0.28 
1 1 1   10    4   38 o   3.6576   0.9041   2.3462 -65.4000   0.01  -0.16  -0.00   0.00 
1 1 1   10    4   39 o   8.6726   0.5035   5.7169   60.400   0.83   0.75   0.06   0.22 
1 1 1   10    4   40 o   6.7101   2.4790   2.0438   8.7000   0.38  -0.36   0.01   0.00 
1 1 1   10    6    0 o   22.528   0.2524   2.7598   0.0000   0.11   0.00   0.00   0.00 
1 1 1   10    6    1 o  106.502   0.7396  101.471  153.100  -0.53   4.12   5.21  -4.14 
1 1 1   10    6    2 o   39.492   1.5989   36.714 -92.3000  12.95  -9.43  -2.23   5.66 
1 1 1   10    6    3 o   87.980   0.3617   75.480 -96.8000   0.30  -0.75  -1.59   0.79 
1 1 1   10    6    4 o   22.768   1.5104   29.470 -82.7000  -5.43  -6.36   0.24  -2.06 
1 1 1   10    6    5 o   35.941   0.6471   32.779   64.700   2.15  -0.41  -0.96   0.60 
1 1 1   10    6    6 f   73.634   0.3118   82.082   89.400  -0.77   0.67  -3.56  -2.03 
1 1 1   10    6    7 o   13.858   0.7427   27.404  133.000  -3.86  -1.36  -1.54  -1.12 
1 1 1   10    6    8 o   21.942   0.6619   19.720   81.100   3.45   0.29  -1.35  -0.34 
1 1 1   10    6    9 o   67.809   0.5825   68.382   71.000  -1.15   1.71  -1.94   4.05 
1 1 1   10    6   10 o   43.946   2.0774   31.300 -56.7000  16.97  -8.62  -2.47   3.81 
1 1 1   10    6   11 o   67.035   1.2562   70.942 -109.4000   8.62  -9.16  -0.81   7.16 
1 1 1   10    6   12 f   92.559   0.6451  107.104 -153.4000  -5.58   7.46   2.83   4.25 
1 1 1   10    6   13 o   29.145   2.0289   36.710 -54.4000  40.41 -18.28  -7.59   9.08 
1 1 1   10    6   14 o   22.927   0.2083   35.269 -56.3000  -0.04  -0.78   0.23  -0.07 
1 1 1   10    6   15 o   9.1508   0.4852   4.8905 -134.6000   7.84  -1.60  -6.87   2.61 
1 1 1   10    6   16 o   46.672   1.1067   42.172   76.200  19.77   6.28  -4.66  -3.79 
1 1 1   10    6   17 o   29.744   0.6430   39.058  109.700  -7.00  -1.23  -3.03  -1.68 
1 1 1   10    6   18 o   53.272   0.5065   54.490   62.900   1.88   0.41  -1.53   0.55 
1 1 1   10    6   19 o   25.660   0.5703   30.883 -96.8000  -3.39  -1.91  -2.93  -2.59 
1 1 1   10    6   20 o   32.241   0.2082   29.089 -63.9000  -0.17   0.26   0.15   0.03 
1 1 1   10    6   21 o   9.2555   0.6843   18.660   98.200  10.30   1.23  -6.04  -1.11 
1 1 1   10    6   22 o   17.136   0.5990   20.960   39.900   3.39   4.01   0.11  -1.71 
1 1 1   10    6   23 o   14.638   0.7336   22.337 -77.3000  18.13   4.16  -9.13  -5.45 
1 1 1   10    6   24 o   24.724   0.3434   27.146 -129.7000  -1.20  -4.66   1.30  -1.20 
1 1 1   10    6   25 o   7.8013   0.4831   11.257 -172.1000  -7.08  -2.32  -4.85  -4.69 
1 1 1   10    6   26 o   15.115   0.2233   4.5776   44.200  -0.06   0.43   0.14  -0.14 
1 1 1   10    6   27 o   12.513   1.0770   14.902   29.800  15.74  -2.71  -3.39   0.83 
1 1 1   10    6   28 o   10.012   0.8555   8.7078 -151.1000  -9.91  -0.41  -4.47   0.43 
1 1 1   10    6   29 o   9.9639   0.5815   8.1053   54.000   3.61  -0.51  -0.76   0.55 
1 1 1   10    6   30 o   4.5950   0.9511   6.1573   11.900   3.65  -0.33  -1.24   0.70 
1 1 1   10    6   31 o   8.1129   0.3752   10.482 -123.7000   0.40  -0.64  -0.59  -0.65 
1 1 1   10    6   32 o   4.9591   0.5792   2.9184   27.600  -0.29  -0.43   0.20   0.07 
1 1 1   10    6   33 o   6.7834   0.4930   5.6335   65.500   0.87   0.51  -0.28   0.24 
1 1 1   10    6   34 o   0.0000   2.1614  ?   ?    0.20   0.07   0.03   0.08 
1 1 1   10    6   35 o   0.0000   2.2607  ?   ?   -0.23  -0.03   0.04   0.05 
1 1 1   10    6   36 o   5.6700   0.5944   3.5149 -168.1000  -1.39  -0.38  -0.11   0.26 
1 1 1   10    6   37 f   2.9904   0.8660   1.1934  179.300  -0.27  -0.02   0.02   0.01 
1 1 1   10    6   38 o   4.6985   0.8141   2.1755   34.200   0.30   0.07   0.01   0.02 
1 1 1   10    6   39 o   0.5477   1.5089   2.6758  141.000   0.18   0.08   0.00   0.00 
1 1 1   10    8    0 o   59.931   0.3789   61.950  -0.0000   0.19   0.00   0.00   0.00 
1 1 1   10    8    1 o   34.856   0.5034   38.853  149.200   1.41   3.61   2.44  -3.36 
1 1 1   10    8    2 o   33.150   0.7287   24.923 -141.8000  -3.24  -0.21  -1.48   0.01 
1 1 1   10    8    3 o   9.2487   0.5796   19.116 -157.9000  -1.66  -1.23  -0.32  -0.89 
1 1 1   10    8    4 o   48.753   1.0537   45.420  138.300   1.65   5.10   1.45  -1.40 
1 1 1   10    8    5 o   27.845   0.3314   24.991  125.000   0.59   1.65   0.90  -1.12 
1 1 1   10    8    6 o   53.257   0.2454   54.415 -78.6000  -0.53  -0.81  -3.41  -2.38 
1 1 1   10    8    7 o   25.129   2.7634   25.599   1.4000  28.45   7.33  -5.53  -3.23 
1 1 1   10    8    8 o   35.387   1.4054   32.258   51.500  22.63  -2.35 -11.00   3.00 
1 1 1   10    8    9 o   22.011   0.9787   37.145   52.800  21.65 -15.78  -3.59  12.47 
1 1 1   10    8   10 o   38.327   0.1941   41.641 -90.7000  -4.82  -0.66  -4.95  -0.40 
1 1 1   10    8   11 o   52.723   0.9648   56.362 -132.2000  -3.14  -6.23   2.37  -2.29 
1 1 1   10    8   12 o   50.199   0.2276   69.498  123.000   0.71   0.95  -1.36  -2.25 
1 1 1   10    8   13 o   13.348   0.3254   4.8647 -144.1000  -4.14  -0.04  -3.16   0.14 
1 1 1   10    8   14 o   26.684   0.8786   29.298 -99.0000 -13.44   1.35  -6.74   1.80 
1 1 1   10    8   15 o   25.364   0.9297   6.5132  104.300   3.79   0.74  -1.23  -0.30 
1 1 1   10    8   16 o   56.372   0.9762   58.776   26.400   3.31  -0.69  -1.28   1.74 
1 1 1   10    8   17 o   23.682   0.3161   24.658  175.000  -0.09  -0.13  -0.29   0.09 
1 1 1   10    8   18 o   44.728   1.4899   35.677 -176.3000 -10.00  -0.01  -4.32   0.90 
1 1 1   10    8   19 o   36.902   0.2213   23.531 -50.6000   1.20   0.73  -0.03  -0.48 
1 1 1   10    8   20 o   6.4459   0.3953   1.1932 -179.4000   4.88   0.09  -8.18   0.66 
1 1 1   10    8   21 f   9.3846   0.3282   6.7785   79.400  -0.12  -0.17  -0.09  -0.23 
1 1 1   10    8   22 o   15.430   1.3112   17.014 -48.7000  24.79  -8.81  -4.75   3.49 
1 1 1   10    8   23 o   10.419   0.2617   11.072  174.200  -1.41   0.73  -0.64   0.56 
1 1 1   10    8   24 o   14.177   0.5457   13.871  122.000  -8.38   1.41  -5.62   1.01 
1 1 1   10    8   25 o   13.562   1.1415   11.006  -2.7000  12.56   8.30  -1.38  -2.53 
1 1 1   10    8   26 f   15.151   0.2200   15.711 -58.6000  -4.52  -3.23 -10.08  -6.79 
1 1 1   10    8   27 o   14.219   0.6557   14.733  120.100 -11.00   1.77  -4.33   3.05 
1 1 1   10    8   28 o   8.1795   0.5623   9.5794  150.500  -6.94  -2.36  -2.06  -2.92 
1 1 1   10    8   29 o   5.9628   0.5206   5.9347   24.400  -1.48   2.41   0.11   0.86 
1 1 1   10    8   30 o   2.4359   1.1803   3.7242 -111.4000  -1.48  -0.39  -0.29  -0.06 
1 1 1   10    8   31 o   16.704   0.2297   12.027 -89.0000   1.47  -1.11  -0.94  -0.11 
1 1 1   10    8   32 o   8.6909   0.7768   6.0525  -1.4000   5.10  -0.26  -0.82   0.52 
1 1 1   10    8   33 o   8.2647   0.4033   5.6766  130.100  -0.33   0.61  -0.04   0.06 
1 1 1   10    8   34 f   4.4823   0.7956   4.0341 -14.3000   0.19   0.11   0.00  -0.00 
1 1 1   10    8   35 o   7.7504   0.4602   5.2515  123.800   0.03   1.29  -0.01  -0.18 
1 1 1   10    8   36 f   7.8545   0.4783   6.9618   51.300  -0.15  -0.20  -0.00   0.01 
1 1 1   10    8   37 o   8.2919   0.4632   7.0913 -49.1000  -0.09  -0.04  -0.00   0.00 
1 1 1   10    8   38 f   6.8677   1.1208   3.0538  149.800  -1.25   0.38  -0.00   0.07 
1 1 1   10   10    0 f   32.396   0.2390   24.579   0.0000   0.27   0.00   0.00   0.00 
1 1 1   10   10    1 o   12.663   1.5665   22.347 -12.2000  22.71   5.76  -5.30  -2.79 
1 1 1   10   10    2 o   24.448   0.8621   17.259  164.400  -1.20   4.97   1.20   0.53 
1 1 1   10   10    3 o   28.044   1.8088   26.406  120.300 -13.16  11.96  -0.24   3.70 
1 1 1   10   10    4 o   18.417   0.2161   14.628 -143.1000  -0.14   0.24   0.96   0.33 
1 1 1   10   10    5 o   44.313   1.8526   36.513 -111.2000 -23.78 -10.06  -5.24  -4.88 
1 1 1   10   10    6 o   41.889   0.1980   40.812 -54.2000   0.23   0.21   0.08  -0.14 
1 1 1   10   10    7 o   68.772   1.3906   64.561   55.600  15.85   6.05  -3.49  -2.51 
1 1 1   10   10    8 o   21.398   0.1423   26.690  166.200  -0.10   0.27   0.56   0.05 
1 1 1   10   10    9 o   4.0398   1.7650   10.670 -51.6000  -5.44  -1.97  -0.93  -0.75 
1 1 1   10   10   10 o   33.050   0.7172   36.668   36.600  -4.04   8.69   4.71   7.14 
1 1 1   10   10   11 o   27.137   2.0916   30.242  162.500 -16.25   4.62  -4.05   2.14 
1 1 1   10   10   12 o   15.058   2.1367   7.6066   89.000  -8.30  16.15   2.14   2.80 
1 1 1   10   10   13 o   44.862   0.8476   40.679 -111.5000   2.46  -1.76  -0.83   1.02 
1 1 1   10   10   14 o   21.791   0.2836   28.827 -18.4000   0.57  -0.37   0.04   0.50 
1 1 1   10   10   15 o   38.247   1.8526   26.044   56.100  12.70   6.57  -2.66  -2.97 
1 1 1   10   10   16 o   26.455   0.8003   29.651  178.800  -5.44  -2.51  -1.94  -1.69 
1 1 1   10   10   17 o   12.357   1.2267   21.824 -122.5000 -28.80  -0.53 -16.16   0.03 
1 1 1   10   10   18 o   25.406   0.7259   16.168 -161.1000  -9.67  -6.12  -0.95  -2.51 
1 1 1   10   10   19 o   33.616   0.5384   38.634   51.000   2.90  -0.82  -2.00   8.79 
1 1 1   10   10   20 o   7.8693   0.3229   6.7173 -64.5000  -0.24  -0.95   0.38  -0.34 
1 1 1   10   10   21 o   17.795   0.7959   13.191 -172.9000 -12.08   2.10  -3.08   1.43 
1 1 1   10   10   22 o   10.872   0.2693   2.8410  120.600   0.40   2.23   1.04  -0.68 
1 1 1   10   10   23 o   18.811   1.0486   17.591 -151.9000 -11.68  -4.36  -2.11  -2.55 
1 1 1   10   10   24 o   5.7105   0.4275   14.388 -67.4000  -0.38  -2.49   0.86  -0.47 
1 1 1   10   10   25 o   13.513   0.2517   11.297 -20.5000   0.56   0.17  -0.03  -0.27 
1 1 1   10   10   26 o   19.581   0.3020   19.177   90.600  -0.62   1.98   0.24   0.04 
1 1 1   10   10   27 o   4.0998   0.6105   8.9336  104.000  -1.01   0.06  -0.57  -0.44 
1 1 1   10   10   28 o   5.4760   0.4970   5.6532 -66.4000  -0.17  -0.14   0.08   0.03 
1 1 1   10   10   29 o   0.0000   2.1446  ?   ?   -0.20  -0.40  -0.47  -0.06 
1 1 1   10   10   30 o   3.1700   1.4550   2.8921 -129.9000   0.21  -0.05  -0.00   0.00 
1 1 1   10   10   31 o   4.4970   1.3585   5.1116 -37.2000   2.61  -0.42  -0.27   0.23 
1 1 1   10   10   32 o   8.1182   0.4139   4.9116   22.800   0.02   0.02   0.00   0.00 
1 1 1   10   10   33 o   3.9266   0.7248   7.9903  164.700  -0.26  -0.02  -0.01   0.01 
1 1 1   10   10   34 o   5.3708   0.9961   0.6678 -86.0000   0.66  -0.70   0.04   0.03 
1 1 1   10   10   35 o   5.3541   0.6166   4.6804   87.100   0.90   0.89  -0.20   0.03 
1 1 1   10   10   36 o   2.4059   1.2224   1.6013 -178.6000  -0.06   0.07   0.00   0.00 
1 1 1   10   10   37 o   5.1118   1.6267   3.0589 -68.8000   0.23  -1.16   0.02   0.09 
1 1 1   10   12    0 o   63.617   0.3983   45.019  -0.0000   0.65   0.00   0.00   0.00 
1 1 1   10   12    1 o   51.429   0.6100   59.780  114.500  -9.34  -0.13  -1.89  -0.23 
1 1 1   10   12    2 o   38.183   0.3136   32.235  148.100  -4.22  -9.68   3.87  -3.44 
1 1 1   10   12    3 o   60.904   0.9590   54.040 -153.5000  -0.20  -0.87  -0.29  -0.90 
1 1 1   10   12    4 o   37.662   0.9219   24.614 -78.7000  -0.20  -1.38   0.45  -0.37 
1 1 1   10   12    5 o   50.793   0.2333   22.373 -41.6000  -1.72  -1.16   0.39  -1.60 
1 1 1   10   12    6 o   21.107   0.1428   25.498 -52.7000  -1.30  -0.80  -0.21  -1.49 
1 1 1   10   12    7 o   13.030   0.8680   19.295 -90.8000  -8.30   0.71  -7.04   1.85 
1 1 1   10   12    8 o   15.457   0.2169   15.250 -87.0000   2.57  -1.06  -3.34   2.09 
1 1 1   10   12    9 f   45.527   1.8527   49.213   15.200  14.68 -10.92  -1.06   6.54 
1 1 1   10   12   10 o   61.201   0.2970   58.976   79.500  -1.59   4.00   0.61   4.75 
1 1 1   10   12   11 o   12.557   0.8208   8.5463  122.900   0.53   2.17   0.36  -0.22 
1 1 1   10   12   12 o   36.554   0.8123   44.515 -124.8000   5.34  -8.41   0.97   3.14 
1 1 1   10   12   13 o   11.210   0.2036   11.505  172.600  -0.04   0.07   0.00   0.00 
1 1 1   10   12   14 o   30.769   0.4287   22.785 -55.3000   2.56  -0.53  -0.82   0.64 
1 1 1   10   12   15 o   13.819   0.1874   13.540 -167.5000  -0.17   0.07   1.23  -0.15 
1 1 1   10   12   16 o   11.531   0.7760   7.9357 -129.4000  -7.92  -0.61  -2.34  -0.24 
1 1 1   10   12   17 o   10.001   0.2419   14.423  125.000   0.06  -0.04   0.12  -0.00 
1 1 1   10   12   18 o   24.434   0.1849   26.007  103.700   1.51   1.54  -5.21  -3.63 
1 1 1   10   12   19 o   43.697   0.9105   37.992 -36.7000  14.18   4.91  -2.92  -3.70 
1 1 1   10   12   20 o   14.001   0.2754   8.6015 -83.4000  -3.09  -1.65  -1.75  -1.28 
1 1 1   10   12   21 o   25.660   0.2015   18.519   90.400   0.98   1.06  -1.60  -0.25 
1 1 1   10   12   22 o   6.9467   0.3208   1.3816   35.000   0.00   0.19   0.04  -0.21 
1 1 1   10   12   23 o   7.1048   0.3743   6.4812  146.400  -0.18  -0.17  -0.04  -0.03 
1 1 1   10   12   24 o   0.0000   2.0059  ?   ?    0.33   0.17   0.04  -0.31 
1 1 1   10   12   25 o   6.8662   0.6596   8.9138 -179.0000  -5.72  -2.17  -1.56  -2.50 
1 1 1   10   12   26 o   16.334   0.2256   6.5405   82.100   2.73   2.69  -4.33  -1.53 
1 1 1   10   12   27 f   18.960   0.2041   17.348 -74.9000  -2.20  -4.54  -6.84  -5.51 
1 1 1   10   12   28 o   4.2340   1.8567   5.9779 -120.4000   3.45  -2.89  -0.30   0.83 
1 1 1   10   12   29 o   9.1872   0.3387   10.630   80.300   1.48   0.88  -0.52  -0.02 
1 1 1   10   12   30 o   5.9371   0.5103   6.9727 -53.0000   1.87   0.01  -0.32   0.49 
1 1 1   10   12   31 o   2.8749   1.3441   1.6671  169.000   0.54  -0.38  -0.06   0.03 
1 1 1   10   12   32 o   2.9747   0.8142   3.7954   41.500   0.70  -0.76  -0.16   0.09 
1 1 1   10   12   33 o   2.2513   0.8489   2.2636   75.500   0.03  -0.05  -0.00  -0.00 
1 1 1   10   12   34 o   4.0554   0.7023   4.7260   16.200   0.60   0.24   0.02   0.10 
1 1 1   10   12   35 o   4.3007   1.9028   1.1666  140.900  -1.23   0.71  -0.12   0.06 
1 1 1   10   12   36 o   4.5387   1.6555   4.9096  169.600  -0.17  -0.24   0.00   0.00 
1 1 1   10   14    0 o   31.100   0.2377   25.150  -0.0000   0.26   0.00   0.00   0.00 
1 1 1   10   14    1 o   16.604   0.3838   15.431   26.400   0.71   0.28  -0.59  -0.24 
1 1 1   10   14    2 o   23.967   1.1763   15.178  169.700  -7.00  -3.05  -0.94  -1.19 
1 1 1   10   14    3 o   12.842   0.8501   14.595 -45.5000  -3.06  -1.84  -0.64  -1.01 
1 1 1   10   14    4 o   11.615   1.1554   24.175 -132.9000 -10.45  -5.45  -1.09  -1.65 
1 1 1   10   14    5 o   20.939   0.4716   21.830  118.300  -4.72  -4.68   0.15  -1.93 
1 1 1   10   14    6 o   51.023   0.2307   40.466 -85.2000  14.19   0.77  -6.45  -2.06 
1 1 1   10   14    7 o   21.798   0.7469   12.038 -56.1000  12.84   0.31  -3.12  -0.34 
1 1 1   10   14    8 o   32.690   1.2383   27.990   46.900  11.45   7.26  -2.60  -4.20 
1 1 1   10   14    9 o   31.847   0.1797   21.951   10.700  -0.44   0.27  -0.55   0.06 
1 1 1   10   14   10 o   27.849   1.2839   18.528 -167.2000 -14.89  -7.17  -3.27  -3.50 
1 1 1   10   14   11 f   16.033   1.1243   6.8221  138.300  -1.68  11.41   1.70   0.58 
1 1 1   10   14   12 f   21.744   0.4938   16.113  -2.1000   3.58  -0.77  -1.03   0.74 
1 1 1   10   14   13 o   23.807   0.1678   15.605  131.200  -0.90  -0.18  -0.09  -1.83 
1 1 1   10   14   14 o   16.243   0.1718   20.636  -8.9000   0.18  -0.13   0.36  -0.61 
1 1 1   10   14   15 o   30.488   0.1916   22.727 -91.6000  -0.07  -1.61   0.92   0.61 
1 1 1   10   14   16 o   37.957   0.8274   35.463  146.200 -13.21  -4.25  -3.25  -3.59 
1 1 1   10   14   17 o   17.988   0.1825   12.754   91.700  -0.10  -0.57  -0.31  -0.65 
1 1 1   10   14   18 o   28.190   0.5529   22.451 -112.8000   5.98  -7.22  -1.11   5.18 
1 1 1   10   14   19 o   11.454   0.2251   3.2104 -29.7000   1.10   0.57  -0.08  -0.76 
1 1 1   10   14   20 o   3.1299   1.4180   10.368   25.600   1.84  -2.96   0.40   0.67 
1 1 1   10   14   21 o   7.8027   0.3098   6.7955   95.100  -2.05   0.79  -1.56   0.35 
1 1 1   10   14   22 o   3.3121   0.6077   10.187 -38.5000   1.18  -0.26  -0.48   0.03 
1 1 1   10   14   23 o   6.6317   0.3429   1.9636  171.300  -2.01   0.89  -0.34   1.28 
1 1 1   10   14   24 o   4.4131   0.6347   4.1897   92.100   1.02   0.58  -0.16  -0.12 
1 1 1   10   14   25 o   2.7354   1.2703   4.3164   23.500   1.97  -0.08  -0.51   0.21 
1 1 1   10   14   26 o   4.2636   0.5708   3.8864 -142.7000   0.28  -0.22  -0.06  -0.16 
1 1 1   10   14   27 f   7.4121   0.3876   7.2727 -139.3000   0.83  -0.96  -0.83  -0.06 
1 1 1   10   14   28 o   7.1249   0.3820   6.6596  104.500   1.87   2.75  -1.64  -1.86 
1 1 1   10   14   29 o   4.8361   0.6859   5.3517 -79.8000  -0.53   0.34  -0.03   0.01 
1 1 1   10   14   30 o   12.022   0.2910   9.3862 -121.1000  -2.12  -3.18  -1.54  -0.60 
1 1 1   10   14   31 o   2.8555   0.8379   2.6096  167.100   0.00  -0.36  -0.04   0.04 
1 1 1   10   14   32 o   6.3717   0.4533   6.1977 -11.1000   0.03  -0.26  -0.01   0.01 
1 1 1   10   14   33 o   5.4437   0.6207   5.1291   29.200   0.64   0.03  -0.02   0.04 
1 1 1   10   14   34 o   4.4323   0.9419   3.0803 -24.1000   0.29   0.02   0.01   0.01 
1 1 1   10   16    0 o   14.363   0.2194   6.1168 -180.0000   0.10   0.00   0.00   0.00 
1 1 1   10   16    1 o   28.203   0.5374   22.392   6.8000   0.81  -3.33   1.63   0.28 
1 1 1   10   16    2 o   18.094   0.2498   19.247 -152.2000  -2.69  -1.84  -0.22  -1.07 
1 1 1   10   16    3 o   28.158   0.4745   27.849  111.300  -0.65   1.23   0.36   0.24 
1 1 1   10   16    4 o   33.655   0.4325   29.812 -16.9000   2.05  -1.87   0.67   1.61 
1 1 1   10   16    5 o   13.777   0.6704   18.731 -139.4000   0.64  -2.11   0.18   0.10 
1 1 1   10   16    6 o   27.871   0.1593   20.477  128.500   0.32   0.74  -0.77  -1.19 
1 1 1   10   16    7 o   8.9424   0.3795   11.529 -79.7000  -1.71  -1.36  -0.06  -0.44 
1 1 1   10   16    8 o   31.624   0.7864   28.140 -121.7000  16.26 -19.39   0.38  14.84 
1 1 1   10   16    9 o   11.680   0.5805   15.215 -62.2000   8.52  -2.25  -3.05   1.44 
1 1 1   10   16   10 o   21.336   0.1666   22.781 -19.7000   1.39   4.97  11.13  -1.14 
1 1 1   10   16   11 o   14.881   1.3483   9.3601  104.600 -25.03  15.14  -3.25   5.62 
1 1 1   10   16   12 o   16.336   0.1827   19.276   89.200   1.25   1.36  -1.22  -1.72 
1 1 1   10   16   13 o   9.8793   0.2106   7.0915 -122.8000  -0.23  -0.37  -1.51   1.56 
1 1 1   10   16   14 o   14.662   0.2769   11.669   14.300   1.53   0.96  -0.03  -0.85 
1 1 1   10   16   15 o   11.043   0.4154   7.7526   80.300  -6.25  -0.34  -2.93  -0.90 
1 1 1   10   16   16 o   15.645   0.5575   10.386 -177.5000  -4.86  -3.52  -0.20  -1.71 
1 1 1   10   16   17 o   7.6901   1.7088   12.486  -5.4000  22.31   1.36  -4.18  -0.79 
1 1 1   10   16   18 o   12.038   0.7586   12.344 -108.7000  -0.66  -6.52   0.96  -0.04 
1 1 1   10   16   19 o   9.2723   0.8130   7.0530   75.200  10.52  -0.19  -2.70   0.51 
1 1 1   10   16   20 o   13.905   0.1986   10.623   45.000   1.76   1.46   1.29  -1.34 
1 1 1   10   16   21 o   13.532   0.4403   11.987 -149.5000  -1.74  -0.51  -0.42  -0.00 
1 1 1   10   16   22 o   4.5172   0.4678   2.4574 -40.6000   0.88  -0.59  -0.53   0.24 
1 1 1   10   16   23 o   11.606   0.4810   11.060   93.200   0.97   2.11   0.06  -0.37 
1 1 1   10   16   24 o   5.8524   0.4157   5.2356 -116.0000  -0.53   2.27   0.33   0.63 
1 1 1   10   16   25 o   5.9939   0.5791   5.3585 -85.7000  -0.72  -1.18  -0.02  -0.18 
1 1 1   10   16   26 o   6.0359   0.5805   10.183  134.100  -3.37  -2.07   0.12  -0.92 
1 1 1   10   16   27 o   1.9620   0.8766   4.7423 -50.3000   0.05   0.19  -0.04  -0.01 
1 1 1   10   16   28 o   3.0863   0.7083   1.5277 -27.5000   0.04  -0.20  -0.01   0.01 
1 1 1   10   16   29 o   4.5514   0.5500   3.3480 -117.7000   0.00  -0.43  -0.06   0.04 
1 1 1   10   16   30 o   4.8830   0.5620   5.0036 -147.2000   0.28  -0.03   0.01  -0.01 
1 1 1   10   16   31 o   3.8598   0.7101   1.5036 -11.6000  -0.33   0.29  -0.04   0.01 
1 1 1   10   16   32 o   7.2251   0.5777   5.4996 -16.8000  -0.06   0.02   0.00  -0.00 
1 1 1   10   18    0 o   34.332   0.2688   33.970  -0.0000   0.87   0.00   0.00   0.00 
1 1 1   10   18    1 o   7.9314   0.2129   1.8851  156.600   1.33   1.74   0.62  -1.12 
1 1 1   10   18    2 o   30.485   0.9276   33.958   89.600   5.52   6.68  -0.55  -3.36 
1 1 1   10   18    3 o   13.492   0.1562   15.624 -10.6000   0.01  -0.03  -0.01   0.00 
1 1 1   10   18    4 o   26.877   0.1626   17.719 -178.9000   1.03   1.53   0.69  -0.35 
1 1 1   10   18    5 o   14.869   0.5620   14.735   66.500   6.13   1.45  -3.76  -0.82 
1 1 1   10   18    6 o   29.693   0.5418   25.118 -122.3000  -1.87  -1.91   0.15  -0.36 
1 1 1   10   18    7 o   25.883   1.4663   21.481  162.500 -21.60  -1.81  -3.57  -0.15 
1 1 1   10   18    8 o   21.131   0.9059   16.734 -30.1000   5.12  -6.78   0.16   1.82 
1 1 1   10   18    9 f   21.931   0.1647   20.633 -166.1000  -0.63   0.62  -0.98  -0.01 
1 1 1   10   18   10 o   5.3822   0.3823   2.6625   47.600   0.07   1.94   0.54   0.07 
1 1 1   10   18   11 f   16.767   0.3162   20.824 -106.4000  -0.13  -1.68   0.28   0.08 
1 1 1   10   18   12 o   5.6344   0.3220   7.3881 -13.9000  -0.72  -0.54  -0.67  -0.50 
1 1 1   10   18   13 o   25.058   0.1898   22.790 -23.7000   3.20   0.20  -0.77  -0.83 
1 1 1   10   18   14 o   11.030   0.2070   13.743   74.900   1.47   0.58  -3.32   3.37 
1 1 1   10   18   15 f   2.1062   0.6886   3.5652   4.5000  -0.15   0.18  -0.05   0.09 
1 1 1   10   18   16 o   5.4899   0.5932   3.1560 -168.1000   0.92  -4.04   0.79   0.58 
1 1 1   10   18   17 f   18.856   0.1825   11.445   32.300   0.16  -0.24   0.02   0.00 
1 1 1   10   18   18 o   6.1204   0.3331   4.8890   64.500   0.03   1.18   0.52  -0.54 
1 1 1   10   18   19 f   6.6904   0.7183   3.5818   16.300  -0.76  -4.58   0.56  -0.07 
1 1 1   10   18   20 o   3.7883   0.6198   5.4744 -83.8000  -2.11  -2.50  -0.29  -1.18 
1 1 1   10   18   21 o   12.145   0.1996   12.940  179.200  -0.57   1.30   0.01   0.22 
1 1 1   10   18   22 o   4.3304   0.4578   3.5931  120.800   1.00   0.30  -0.39   0.14 
1 1 1   10   18   23 o   7.6805   0.3009   6.6414  141.100   0.93   0.02  -0.04  -0.22 
1 1 1   10   18   24 o   5.8539   0.4678   5.5069 -104.1000   1.82  -0.81  -0.39   0.03 
1 1 1   10   18   25 f   9.6118   0.3142   6.2960 -25.2000  -0.30   1.13   0.12  -0.14 
1 1 1   10   18   26 o   6.5948   0.4075   6.8055   83.800  -1.55   0.67  -0.35  -0.20 
1 1 1   10   18   27 o   0.0000   2.0111  ?   ?    0.41  -0.08  -0.03  -0.12 
1 1 1   10   18   28 o   4.0832   0.6249   3.3268  173.700  -0.07   0.07   0.00  -0.00 
1 1 1   10   18   29 o   5.6334   1.9319   3.7162  135.000   1.30   1.37  -0.07  -0.12 
1 1 1   10   20    0 o   7.5166   0.3065   4.2488  -0.0000   0.10   0.00   0.00   0.00 
1 1 1   10   20    1 o   3.2233   0.5632   13.163   17.600   0.36  -0.18  -0.01   0.01 
1 1 1   10   20    2 f   10.089   0.1716   8.2394  112.500  -0.21  -0.08   0.05  -0.09 
1 1 1   10   20    3 o   5.1933   0.3921   15.833 -110.0000  -1.82  -0.10  -0.50   0.05 
1 1 1   10   20    4 o   9.5596   0.1712   14.711   6.4000   0.29  -0.03  -0.02   0.20 
1 1 1   10   20    5 o   12.088   0.1484   10.125   59.500  -1.69   1.54  -1.23   1.49 
1 1 1   10   20    6 o   15.535   0.1540   12.221  100.900  -0.16   0.10   0.07  -0.04 
1 1 1   10   20    7 o   12.769   0.1865   9.4052   59.300   2.23  -0.76  -0.41   1.25 
1 1 1   10   20    8 o   10.809   0.1914   13.977 -160.6000  -0.43   0.38   0.65  -0.10 
1 1 1   10   20    9 o   19.641   0.6170   18.751 -162.1000   1.27 -13.94   4.89   2.77 
1 1 1   10   20   10 f   6.8916   0.2291   5.1106 -23.6000  -0.69  -0.83  -1.29  -1.13 
1 1 1   10   20   11 o   4.0099   0.3972   7.2938 -99.0000  -1.21  -1.47  -0.15  -0.90 
1 1 1   10   20   12 o   16.327   0.7092   9.3448   2.8000  10.88  -5.76  -0.76   1.77 
1 1 1   10   20   13 o   3.5125   0.4668   4.6209 -33.6000   1.07   0.10  -0.23   0.03 
1 1 1   10   20   14 o   5.5086   0.3783   8.3101 -128.6000  -1.01  -0.28  -0.12  -0.02 
1 1 1   10   20   15 o   13.192   0.1780   16.750 -39.9000  -0.55  -1.82   0.01  -0.82 
1 1 1   10   20   16 o   8.5254   0.4227   11.500  101.800  -4.59  -1.04  -1.03  -1.22 
1 1 1   10   20   17 o   13.042   0.2584   12.886   43.700   1.13   0.59  -0.12  -0.04 
1 1 1   10   20   18 o   5.2333   0.6117   3.6316 -119.2000   2.05  -1.86  -0.28   0.43 
1 1 1   10   20   19 o   9.5969   0.2430   8.7337  164.800  -0.70   0.69   0.37  -0.36 
1 1 1   10   20   20 f   6.5870   0.5417   7.5584 -54.3000   0.73  -2.03   0.23   0.04 
1 1 1   10   20   21 o   5.6905   0.7294   7.7362  138.900  -2.19   0.88  -0.25   0.07 
1 1 1   10   20   22 o   9.1014   0.2497   6.1584   28.100   0.02  -0.25  -0.02  -0.01 
1 1 1   10   20   23 o   9.4318   0.2573   8.6066 -111.4000  -0.34  -2.17  -1.63   0.18 
1 1 1   10   20   24 o   6.2339   0.4787   5.3089  122.200  -0.32   0.15  -0.02  -0.00 
1 1 1   10   20   25 o   6.2622   0.4944   4.7160   13.800   1.26  -1.32   0.12   0.17 
1 1 1   10   20   26 o   4.7951   0.6812   3.0194 -156.4000   0.19  -0.10   0.00   0.00 
1 1 1   10   22    0 o   5.1672   0.3694   8.1523  -0.0000   0.02   0.00   0.00   0.00 
1 1 1   10   22    1 o   3.1546   0.6013   6.8126   10.400   2.06   2.10   0.16  -0.71 
1 1 1   10   22    2 o   3.1020   0.4577   4.4752 -150.8000  -0.72  -0.24  -0.08  -0.03 
1 1 1   10   22    3 f   5.2414   0.4596   2.4578 -118.9000   0.88   1.26   0.02  -0.14 
1 1 1   10   22    4 o   8.3248   0.2350   7.5534  128.300  -0.42  -0.03  -0.04   0.02 
1 1 1   10   22    5 o   4.5607   0.3243   2.6738 -118.6000  -0.51   0.71  -0.36   0.52 
1 1 1   10   22    6 o   7.7786   0.1960   4.2876 -88.4000   0.83   0.59  -0.95  -0.02 
1 1 1   10   22    7 o   12.511   0.1669   7.6673   4.6000   0.26  -0.16   0.01  -0.11 
1 1 1   10   22    8 o   5.5176   0.6122   3.4956 -90.3000   2.27  -3.23   0.08   0.54 
1 1 1   10   22    9 o   14.552   0.1588   14.463  166.600  -1.86  -3.58   1.85  -0.42 
1 1 1   10   22   10 o   10.733   0.3709   10.019   19.000   2.16   5.06   1.38  -0.63 
1 1 1   10   22   11 o   3.8739   0.5480   2.0842 -23.8000  -0.37   0.39  -0.01   0.03 
1 1 1   10   22   12 o   5.0160   0.3383   4.6354  156.500  -1.46  -0.95   0.08  -0.44 
1 1 1   10   22   13 f   9.7862   0.7074   11.794 -61.4000  13.16  -2.17  -3.56   0.03 
1 1 1   10   22   14 o   5.6648   0.2956   5.9723 -71.3000   0.15  -0.51   0.01  -0.28 
1 1 1   10   22   15 o   10.514   0.5958   8.9397   72.100  -5.54   7.51  -0.63   3.12 
1 1 1   10   22   16 f   6.4496   0.2985   3.9331   69.800  -0.55   0.03  -0.03  -0.07 
1 1 1   10   22   17 o   4.4563   0.4192   5.1581 -123.0000   0.06  -0.27  -0.01   0.02 
1 1 1   10   22   18 o   5.7441   0.3432   3.3686 -165.3000  -0.07  -0.23  -0.00   0.03 
1 1 1   10   22   19 o   2.6521   0.6327   2.6606  120.900   0.08   1.01   0.08  -0.30 
1 1 1   10   22   20 o   1.4992   0.8937   0.6667   69.700   0.06   0.06   0.00  -0.00 
1 1 1   10   22   21 o   3.7637   0.5534   3.2728 -70.4000  -0.28  -0.40  -0.11  -0.05 
1 1 1   10   22   22 o   7.8279   0.6594   4.8294 -73.3000  -0.12   0.05   0.00  -0.00 
1 1 1   10   24    0 o   6.1237   0.3399   5.9440  -0.0000   0.26   0.00   0.00   0.00 
1 1 1   10   24    1 o   4.5300   0.3004   3.5180   77.900   0.43   0.63   0.16  -0.07 
1 1 1   10   24    2 o   2.8759   0.6942   1.6353   50.100  -0.33  -0.89   0.06  -0.03 
1 1 1   10   24    3 o   6.7557   0.4793   3.0563 -121.9000   1.45  -0.77  -0.13   0.08 
1 1 1   10   24    4 f   4.6847   0.3062   8.3182 -174.4000  -0.51  -0.33  -0.24   0.03 
1 1 1   10   24    5 o   4.6736   0.3846   5.0691   0.4000   1.43  -1.00   0.05   0.31 
1 1 1   10   24    6 o   7.2678   0.2216   5.9225 -57.7000  -0.04  -0.05  -0.00  -0.00 
1 1 1   10   24    7 o   4.2082   0.3281   2.4372  157.200  -0.30   0.08  -0.04  -0.06 
1 1 1   10   24    8 o   2.6365   0.9418   1.6638   0.3000   1.65  -0.36  -0.15   0.12 
1 1 1   10   24    9 o   3.0458   0.5011   6.7008 -163.0000   0.00   0.99   0.11  -0.06 
1 1 1   10   24   10 o   7.8970   0.2472   7.6440   65.000  -0.32  -0.04  -0.00  -0.02 
1 1 1   10   24   11 o   5.0085   0.3173   6.1449 -100.1000  -0.55  -0.36  -0.20   0.27 
1 1 1   10   24   12 o   7.4719   0.2334   8.7775 -116.1000  -0.67  -0.62  -0.30   0.29 
1 1 1   10   24   13 f   9.0674   0.4906   8.6204   31.300   0.63   1.43   0.30  -0.00 
1 1 1   10   24   14 o   5.9578   0.4493   6.8494   31.400   1.53  -0.03  -0.13   0.07 
1 1 1   10   24   15 o   4.4828   0.4189   2.2661   85.600   0.14  -0.14   0.03  -0.01 
1 1 1   10   24   16 o   5.1509   0.6619   3.2311 -17.0000   0.04  -0.23  -0.02  -0.01 
1 1 1   10   26    0 f   5.7271   0.5037   5.2070  -0.0000  -0.00   0.00   0.00   0.00 
1 1 1   10   26    1 o   11.545   0.2454   10.624 -19.3000   0.39  -0.15   0.01   0.02 
1 1 1   10   26    2 o   5.8784   0.3943   4.5772 -93.9000  -0.10  -0.39  -0.14   0.02 
1 1 1   10   26    3 o   8.6439   0.3262   9.7384  117.700  -0.05  -0.64  -0.00  -0.10 
1 1 1   10   26    4 o   5.6434   0.5768   2.1895   60.400  -0.12  -0.09  -0.01   0.00 
1 1 1   10   26    5 o   9.0548   0.4784   7.9887 -73.7000  -0.05   0.21  -0.01   0.00 
1 1 1   11    1    0 o   25.850   0.2110   14.805  -0.0000   0.19   0.00   0.00   0.00 
1 1 1   11    1    1 o   31.584   0.9819   38.295  174.100  -4.15   2.06  -0.50   0.77 
1 1 1   11    1    2 o   7.4295   0.7344   13.697   30.000   2.31   0.92  -0.47  -0.42 
1 1 1   11    1    3 o   54.866   0.4154   56.215   88.200   0.25   0.51  -2.84   1.80 
1 1 1   11    1    4 o   35.320   1.7905   31.871  149.500 -13.31   7.10  -1.57   2.58 
1 1 1   11    1    5 f   69.502   0.5125   64.690 -15.0000  -0.36  -0.56  -1.66  -0.31 
1 1 1   11    1    6 o   36.921   1.6995   32.308 -152.9000 -13.41  -7.85  -3.03  -6.41 
1 1 1   11    1    7 o   76.682   0.3234   67.712 -115.2000   2.42  -0.08  -1.41   0.89 
1 1 1   11    1    8 o   23.296   0.7060   7.2666   42.200  -8.87  -3.37  -4.80  -3.72 
1 1 1   11    1    9 o   43.750   2.4675   54.972 -161.7000 -28.99  22.76  -2.11  10.74 
1 1 1   11    1   10 o   10.977   1.5612   11.852  176.800 -13.72   0.33  -4.18   0.12 
1 1 1   11    1   11 o   65.756   0.6571   65.756   74.400  -5.35   7.96   1.19   8.38 
1 1 1   11    1   12 o   39.445   1.9678   38.441  -7.0000  38.94  20.87  -6.82 -11.14 
1 1 1   11    1   13 o   13.563   0.8446   16.481   94.400  -0.57   8.29   2.46   0.26 
1 1 1   11    1   14 o   13.422   1.0036   19.889  113.700 -20.32  -4.97  -7.57  -4.15 
1 1 1   11    1   15 f   18.227   0.1742   20.200   64.900  -1.08   0.36  -0.29   0.17 
1 1 1   11    1   16 o   24.425   0.2100   25.401 -135.5000  -0.15  -0.24  -1.02   0.09 
1 1 1   11    1   17 f   4.4456   1.2769   10.916   15.700  -3.30  -0.78  -0.77  -0.36 
1 1 1   11    1   18 o   12.396   0.2310   4.0553   41.200  -0.89  -0.51  -0.28  -1.72 
1 1 1   11    1   19 o   33.403   0.2481   20.767 -124.7000  -0.35   0.35  -0.48   0.20 
1 1 1   11    1   20 o   5.2701   1.5211   6.2610 -70.7000   8.37  -0.49  -1.95   0.18 
1 1 1   11    1   21 o   18.759   0.1844   30.708 -131.1000  -0.17  -0.15  -0.10   1.13 
1 1 1   11    1   22 o   20.625   1.0630   18.410   88.800 -16.39   7.72  -3.78   4.00 
1 1 1   11    1   23 o   13.571   0.5089   23.146   49.400   5.32   2.59  -1.80  -1.76 
1 1 1   11    1   24 o   4.4509   0.6001   14.520 -54.1000   2.15   0.45  -0.86  -0.54 
1 1 1   11    1   25 o   0.0000   2.0242  ?   ?    0.24   0.11  -0.06  -0.38 
1 1 1   11    1   26 o   4.6133   1.2755   8.6984   18.800   3.96  -1.28  -0.71   0.64 
1 1 1   11    1   27 f   11.228   0.5161   10.524   53.200   3.50   1.84  -2.20  -1.50 
1 1 1   11    1   28 f   5.7139   0.5032   11.001 -33.8000  -1.94   0.38  -0.88   2.19 
1 1 1   11    1   29 o   8.9179   0.3701   11.944  156.500  -1.32  -0.38  -0.87   0.36 
1 1 1   11    1   30 o   9.9987   0.8429   15.534  124.000 -16.75  -4.45  -3.62  -2.95 
1 1 1   11    1   31 f   4.4072   0.7437   6.4682 -58.6000  -0.90   0.93  -0.06   0.15 
1 1 1   11    1   32 o   6.8965   0.4912   7.3919 -114.9000  -0.98  -1.78  -0.54  -0.98 
1 1 1   11    1   33 f   6.1939   0.4610   4.1888   6.1000   1.55  -1.49  -0.35   0.34 
1 1 1   11    1   34 o   12.355   0.4390   12.253 -20.3000   1.35   0.28  -0.06   0.35 
1 1 1   11    1   35 o   4.2607   0.7016   1.1039  152.800   0.14   0.48  -0.04  -0.04 
1 1 1   11    1   36 o   7.1077   0.5173   4.8835  151.200   0.30  -0.23  -0.01  -0.01 
1 1 1   11    1   37 o   3.8186   0.7631   2.7013   37.500   0.36   0.40   0.02   0.06 
1 1 1   11    1   38 o   5.3259   2.3617   3.0517  167.300   0.10   0.47   0.01  -0.01 
1 1 1   11    1   39 o   6.2979   0.8128   5.1950  136.200  -0.11   0.16   0.00  -0.00 
1 1 1   11    3    0 o   65.112   0.4014   59.312  180.000  -0.02   0.00   0.00   0.00 
1 1 1   11    3    1 f   18.585   0.4788   11.067   80.200   0.07   1.62   1.08   0.05 
1 1 1   11    3    2 o   29.601   0.5347   33.513 -53.8000  -2.20  -3.06   0.47  -2.52 
1 1 1   11    3    3 o   27.019   1.6987   2.7692  114.700   3.87  11.13   2.34  -1.69 
1 1 1   11    3    4 o   28.889   0.5355   23.722  -4.9000  -1.50  -1.72   0.46  -1.45 
1 1 1   11    3    5 f   85.111   1.3395   68.439 -90.7000  -6.87  -3.16  -1.50  -3.03 
1 1 1   11    3    6 o   42.928   1.2342   31.051 -165.6000  -2.56  -2.07  -0.06  -0.52 
1 1 1   11    3    7 o   62.665   2.1100   53.609   40.700  17.14  -0.79  -5.09  -0.03 
1 1 1   11    3    8 o   46.380   0.7940   41.390   82.200  -1.03   5.35   1.41   0.38 
1 1 1   11    3    9 o   62.610   1.8051   49.523  143.000 -14.29  -4.76  -3.26  -3.04 
1 1 1   11    3   10 f   14.411   2.3105   15.808   47.900   9.65  26.71   5.74  -4.62 
1 1 1   11    3   11 o   31.190   1.6773   35.016   68.700  35.87   4.74 -11.00  -3.34 
1 1 1   11    3   12 o   43.001   0.2043   41.450 -126.6000   0.19  -1.32   1.37   1.48 
1 1 1   11    3   13 o   17.866   2.1576   22.660   39.000  57.97   0.26 -16.59   0.09 
1 1 1   11    3   14 o   41.313   0.8250   38.636   38.700   9.10  -1.30  -4.72   2.03 
1 1 1   11    3   15 o   43.957   1.9525   36.799 -128.9000 -31.14 -11.11  -8.20  -6.00 
1 1 1   11    3   16 o   26.074   0.1995   18.149 -93.3000   0.03  -0.20  -0.39   0.23 
1 1 1   11    3   17 o   5.0646   1.6714   14.342  134.000  -4.93   0.16  -1.09   0.04 
1 1 1   11    3   18 o   22.496   0.5095   10.301 -22.9000   0.79   0.61  -0.14  -0.23 
1 1 1   11    3   19 o   34.463   0.8351   34.700 -124.3000  -9.14   1.42  -3.45   1.76 
1 1 1   11    3   20 o   12.859   0.6701   19.700  170.100  -6.63   4.63  -0.82   2.75 
1 1 1   11    3   21 o   23.617   0.7074   18.130   93.400 -13.91  -0.72  -6.85  -1.46 
1 1 1   11    3   22 o   0.0000   2.0424  ?   ?    0.07  -0.03   0.13   0.30 
1 1 1   11    3   23 o   6.6425   1.5336   2.5582 -28.7000  10.55  -1.45  -2.03   0.48 
1 1 1   11    3   24 o   11.090   0.3156   8.6622   55.000   1.21   3.27   1.02  -0.64 
1 1 1   11    3   25 o   6.3664   0.4991   0.6356  150.600  -2.09   0.26  -1.39   0.02 
1 1 1   11    3   26 o   3.1583   0.9454   4.3254 -171.6000   0.21   0.91   0.14  -0.11 
1 1 1   11    3   27 o   3.2468   0.7382   6.0815  161.900  -0.21  -0.52  -0.26  -0.99 
1 1 1   11    3   28 o   11.641   0.2862   9.9988  126.900  -0.13  -0.32   0.09   0.12 
1 1 1   11    3   29 o   14.024   0.3889   18.736   83.500   2.38   2.24  -5.47  -1.40 
1 1 1   11    3   30 o   7.1849   0.4177   6.4109 -42.7000  -0.50  -0.18  -0.01  -0.07 
1 1 1   11    3   31 o   13.670   0.4951   12.678 -101.4000  11.88  -9.46  -3.11   4.73 
1 1 1   11    3   32 o   8.6469   0.5517   4.7554 -125.7000   0.32  -0.55   0.05   0.01 
1 1 1   11    3   33 o   1.2617   1.0595   4.3037 -12.4000  -0.35   0.37  -0.11   0.06 
1 1 1   11    3   34 o   5.0564   0.5979   3.5912 -25.8000  -0.01  -0.21  -0.02  -0.00 
1 1 1   11    3   35 o   1.7920   0.9781   3.8474   56.800   0.26  -0.13  -0.02  -0.02 
1 1 1   11    3   36 o   4.1670   0.7340   3.3879 -44.8000   0.49  -0.51   0.06  -0.09 
1 1 1   11    3   37 o   2.1806   1.0683   2.0353   19.600  -0.02   0.52  -0.01   0.06 
1 1 1   11    3   38 o   8.2151   1.1768   5.7247  138.000   0.50   2.00   0.03  -0.13 
1 1 1   11    3   39 o   7.6622   0.8268   4.1049  156.200  -0.38   0.23   0.01   0.00 
1 1 1   11    5    0 o   96.291   0.5647   84.409  180.000  -0.04   0.00   0.00   0.00 
1 1 1   11    5    1 o  100.103   0.5923   94.779 -28.1000   1.05  -4.09   7.01  -2.44 
1 1 1   11    5    2 o   24.003   0.8206   20.214 -16.3000   3.97   3.14  -0.33  -2.14 
1 1 1   11    5    3 o   60.762   0.9922   61.906   46.100   2.97   0.78  -1.15  -0.31 
1 1 1   11    5    4 o   40.138   1.3473   26.321 -86.7000 -10.27  -8.26  -0.68  -4.87 
1 1 1   11    5    5 o   45.434   1.9918   46.294 -175.7000 -11.28  -8.15  -1.12  -2.76 
1 1 1   11    5    6 o   7.7714   0.3935   11.736 -73.0000   2.38   0.77  -2.07  -1.69 
1 1 1   11    5    7 o   27.502   2.1998   11.738   46.600  17.13  15.57  -0.67  -5.28 
1 1 1   11    5    8 o   27.045   2.6424   27.196 -16.1000  33.94  -4.37  -7.14   2.06 
1 1 1   11    5    9 o   28.448   0.9564   35.359 -63.5000   8.44  -4.35  -2.62   3.20 
1 1 1   11    5   10 o   11.944   0.4663   15.394 -96.4000 -15.24   5.92 -18.30  18.25 
1 1 1   11    5   11 o   27.917   0.7098   34.117   83.700  -3.29   1.64  -0.58   0.66 
1 1 1   11    5   12 o   47.695   1.2258   62.125   70.000 -18.01  20.27   0.50  10.42 
1 1 1   11    5   13 o   12.505   0.3704   12.500   21.200   1.42   2.43   0.47  -0.75 
1 1 1   11    5   14 o   36.547   0.4403   39.685  137.100  -0.65  -0.21  -0.55   0.12 
1 1 1   11    5   15 o   42.465   0.2147   48.673 -157.3000   0.15  -0.14  -0.08   0.01 
1 1 1   11    5   16 o   26.114   0.6791   25.047 -63.1000   4.40   2.50  -4.09  -4.00 
1 1 1   11    5   17 o   22.744   2.0095   7.9546   52.500  -6.72   7.71   0.10   1.34 
1 1 1   11    5   18 o   37.010   1.1493   36.014 -70.4000  13.35   0.11  -5.18  -0.84 
1 1 1   11    5   19 o   5.5148   1.0500   8.4558 -178.4000  -1.87   5.75   1.21   0.83 
1 1 1   11    5   20 o   20.221   0.8242   17.290  141.600 -10.65   0.54  -3.12   0.07 
1 1 1   11    5   21 o   10.445   0.2451   9.5662   44.800  -0.15   0.01  -0.10   0.09 
1 1 1   11    5   22 o   13.925   0.2449   9.5710 -73.8000  -3.00  -2.25  -2.12  -3.34 
1 1 1   11    5   23 o   11.114   0.2886   8.5987   20.100  -0.06   0.44   0.37  -0.16 
1 1 1   11    5   24 o   18.842   0.7390   16.032   68.300  11.89   8.00  -4.24  -7.25 
1 1 1   11    5   25 o   9.4209   0.2981   11.069   51.000   0.66   1.35   0.48  -0.30 
1 1 1   11    5   26 o   18.741   1.2047   14.290 -121.4000 -16.50  -9.71  -4.46  -5.47 
1 1 1   11    5   27 o   7.1475   1.0451   9.1336  132.400  -4.40   7.38   0.51   1.31 
1 1 1   11    5   28 o   8.5988   0.4670   10.840   65.900   2.80   1.54  -3.18  -1.04 
1 1 1   11    5   29 o   12.183   0.3041   10.912 -142.8000  -0.43  -0.90  -0.37   1.35 
1 1 1   11    5   30 o   4.9847   0.8706   3.4626 -161.6000  -2.07   1.06  -0.06   0.60 
1 1 1   11    5   31 o   3.9593   0.9098   5.4114   22.600   1.13   0.86  -0.13  -0.17 
1 1 1   11    5   32 o   0.0000   2.0971  ?   ?   -0.24   0.84   0.09   0.30 
1 1 1   11    5   33 o   6.3020   0.5035   4.1123 -120.2000  -0.02  -1.13   0.09   0.18 
1 1 1   11    5   34 o   4.6560   1.0343   3.5617  152.800  -2.60  -0.09  -0.30   0.23 
1 1 1   11    5   35 o   5.7216   0.5593   3.5216  153.500   0.67  -0.24   0.10  -0.06 
1 1 1   11    5   36 f   4.1088   0.7597   4.0183 -16.9000  -0.29   0.45  -0.02   0.02 
1 1 1   11    5   37 o   3.8632   0.7459   3.8142   42.300   0.06   0.38   0.00   0.02 
1 1 1   11    5   38 o   5.1523   0.9112   1.5785 -137.8000  -0.16  -0.02   0.00  -0.00 
1 1 1   11    7    0 o   70.131   0.4174   75.227  180.000  -0.13   0.00   0.00   0.00 
1 1 1   11    7    1 o   34.275   1.4440   26.339  119.900  -0.74  10.98   2.60   0.51 
1 1 1   11    7    2 o   44.701   0.2114   47.317 -114.9000   0.31  -1.14   0.30   0.33 
1 1 1   11    7    3 o   25.853   0.2492   20.297 -134.1000  -0.17  -0.36   0.08  -0.22 
1 1 1   11    7    4 o   18.914   0.2206   32.120 -27.5000   1.58   5.16   7.64  -4.02 
1 1 1   11    7    5 o   43.095   0.2047   44.376 -53.2000   1.98   0.96  -0.87  -3.46 
1 1 1   11    7    6 f   15.629   0.2396   17.004   41.700  -6.24  -4.54  -2.76 -11.43 
1 1 1   11    7    7 o   6.8735   2.8967   12.920 -95.2000 -20.51  -4.50  -1.38  -0.65 
1 1 1   11    7    8 o   34.272   1.2434   38.086 -38.3000  20.96   8.84  -4.89  -5.51 
1 1 1   11    7    9 f   20.696   1.0645   8.5517   80.200 -12.87  24.10   8.24  11.48 
1 1 1   11    7   10 f   37.668   0.3857   35.478  131.400  -2.42  -1.52  -0.50  -2.31 
1 1 1   11    7   11 o   33.688   1.4724   28.039   90.200  -8.47  24.38   5.38   4.62 
1 1 1   11    7   12 o   11.581   1.0031   12.256   21.200   4.55   2.64  -0.71  -1.43 
1 1 1   11    7   13 o   23.955   0.1581   23.381 -94.1000  -0.86  -0.41  -3.74   0.56 
1 1 1   11    7   14 o   24.447   1.4481   20.970   98.400   7.97   5.69  -0.90  -2.08 
1 1 1   11    7   15 o   20.593   0.3894   26.995   64.000   2.48   0.17  -3.61   0.86 
1 1 1   11    7   16 o   28.977   0.4274   41.402 -95.5000  -0.58  -0.84  -0.10  -0.68 
1 1 1   11    7   17 o   22.073   0.4628   12.536 -107.1000  -4.65  -3.15  -2.35  -3.72 
1 1 1   11    7   18 o   42.748   0.5416   31.238 -17.1000   3.33   0.52  -1.04   0.00 
1 1 1   11    7   19 o   25.299   0.4692   26.045  115.000   7.73   4.76  -4.68  -6.18 
1 1 1   11    7   20 o   20.566   0.9276   16.392  140.700 -10.36   2.43  -1.94   1.21 
1 1 1   11    7   21 o   25.626   0.9189   19.276 -55.9000  24.99  -6.19  -8.17   3.30 
1 1 1   11    7   22 o   12.007   0.2329   15.055 -165.1000  -0.46   0.74  -0.07   0.96 
1 1 1   11    7   23 o   15.692   0.2213   16.563   90.400  -0.10   0.60  -2.28  -2.56 
1 1 1   11    7   24 f   12.123   0.6823   11.626   17.500   3.78  -1.48  -0.39   0.27 
1 1 1   11    7   25 o   5.1853   0.9714   3.9303   56.600  -3.34  -3.75  -0.04  -1.58 
1 1 1   11    7   26 o   3.7123   0.6514   3.9434  163.800   0.24   0.60  -0.04  -0.47 
1 1 1   11    7   27 o   10.137   0.5846   12.969 -77.4000   5.93  -0.80  -2.39   1.70 
1 1 1   11    7   28 o   10.701   0.2754   1.9353   25.000   1.72  -0.04  -0.87  -1.63 
1 1 1   11    7   29 o   4.6024   0.5747   6.6344 -145.9000  -1.28   0.25  -0.22   0.54 
1 1 1   11    7   30 o   6.1104   0.4935   7.8839   57.300   0.18   0.79  -0.77   0.52 
1 1 1   11    7   31 o   6.7957   0.4173   8.0108   43.300  -0.75   0.56  -0.28  -0.04 
1 1 1   11    7   32 o   7.3923   0.4453   5.2244  179.400   0.14  -1.16  -0.13   0.35 
1 1 1   11    7   33 o   0.9508   1.0295   0.6107   13.000   0.07  -0.50   0.03   0.06 
1 1 1   11    7   34 o   6.3115   0.5189   5.8332  177.000  -0.08  -0.05  -0.00   0.00 
1 1 1   11    7   35 o   4.8022   0.6557   3.6805  156.300  -0.03   0.41  -0.01   0.02 
1 1 1   11    7   36 o   5.6838   0.9097   5.6181 -87.8000  -0.49  -0.24  -0.01   0.00 
1 1 1   11    7   37 o   7.5497   0.5784   2.9275  133.200   0.41  -0.89   0.01  -0.14 
1 1 1   11    9    0 o   97.090   0.5678   58.858  180.000  -1.06   0.00   0.00   0.00 
1 1 1   11    9    1 o   16.411   0.1785   18.864  102.300   0.02   0.41   0.37   0.07 
1 1 1   11    9    2 o   39.965   0.8471   43.965   20.100   3.29   8.23   2.03  -1.63 
1 1 1   11    9    3 o   12.419   1.8467   13.450 -56.9000 -11.62 -30.18   5.38  -4.97 
1 1 1   11    9    4 o   3.4604   0.8916   14.101 -146.0000  -1.34  -0.00  -0.17  -0.00 
1 1 1   11    9    5 o   4.2242   1.8864   32.838 -136.0000  -5.80  -8.34   0.16  -0.43 
1 1 1   11    9    6 f   10.861   0.8704   18.251 -143.2000  -3.25  -5.13   0.52  -1.18 
1 1 1   11    9    7 o   30.978   0.1892   36.239 -18.5000  -0.30  -0.74  -1.23  -4.74 
1 1 1   11    9    8 o   55.223   0.2617   44.435   52.500   0.75  -0.56   0.12   0.28 
1 1 1   11    9    9 o   47.936   1.0930   41.596  136.900  -9.64  -3.11  -3.91  -4.58 
1 1 1   11    9   10 o   89.504   0.8630   66.634 -157.4000  -2.27  -3.25   2.07  -0.95 
1 1 1   11    9   11 o   35.205   1.1873   42.862 -55.1000   9.80  -0.91  -3.91   0.14 
1 1 1   11    9   12 o   54.867   0.3147   54.809 -39.1000  -0.49  -1.59  -0.14  -1.88 
1 1 1   11    9   13 o   41.954   0.2542   31.674   70.200  -0.48   0.15  -0.08   0.00 
1 1 1   11    9   14 o   31.760   0.4130   35.913  120.800  -9.50  -2.33  -3.23  -2.30 
1 1 1   11    9   15 f   16.275   0.1773   18.633  132.100   4.38   4.71   1.49  -6.74 
1 1 1   11    9   16 o   39.205   0.6994   36.150 -73.1000  21.95  -4.99  -5.17   1.90 
1 1 1   11    9   17 o   11.445   1.5747   15.520  -6.0000  31.39   6.20 -11.09  -4.18 
1 1 1   11    9   18 o   30.889   0.1919   28.197   67.500 -14.88  10.30  -5.41   8.97 
1 1 1   11    9   19 o   31.817   1.1545   27.212 -148.8000 -11.74   5.51  -2.95   5.69 
1 1 1   11    9   20 o   7.9927   0.3228   6.1487   83.800   4.39  -1.82  -2.40   1.85 
1 1 1   11    9   21 o   13.330   0.4796   19.323   4.6000   1.90  -0.19  -0.29   0.11 
1 1 1   11    9   22 o   6.5084   0.7894   4.8984   14.400   4.98  -1.78  -0.94   0.97 
1 1 1   11    9   23 o   10.655   0.5693   6.4992   45.900   3.66   1.06  -0.87  -0.86 
1 1 1   11    9   24 o   12.219   1.0259   11.991  173.200 -10.10   8.78  -0.04   3.25 
1 1 1   11    9   25 o   13.840   0.7416   16.546  150.500  -7.60  -1.37  -1.91  -1.46 
1 1 1   11    9   26 o   7.3902   0.3665   9.0037 -122.1000  -0.54   0.47  -0.33   0.17 
1 1 1   11    9   27 o   9.5544   0.3250   12.180 -55.4000   3.41   0.89  -0.76  -2.58 
1 1 1   11    9   28 o   3.7334   0.7124   2.4388 -14.9000   0.39   0.56   0.19  -0.06 
1 1 1   11    9   29 o   5.6063   0.4853   3.3381 -163.3000   0.24   0.56  -0.49  -0.06 
1 1 1   11    9   30 o   3.9599   0.6841   3.6050   49.100   0.09   0.49   0.01  -0.04 
1 1 1   11    9   31 f   8.6120   0.4097   5.3274  108.900  -1.92   1.36   0.59   0.50 
1 1 1   11    9   32 o   2.0499   0.9909   3.7705   80.500   0.37   0.43   0.04  -0.03 
1 1 1   11    9   33 o   5.9426   0.5254   7.0222   8.3000  -0.16   1.11  -0.06   0.17 
1 1 1   11    9   34 o   6.6252   0.4922   4.4747 -164.6000  -1.24  -1.17   0.22  -0.07 
1 1 1   11    9   35 o   2.5501   0.9209   2.1694 -91.7000  -0.05  -0.47  -0.06   0.01 
1 1 1   11    9   36 f   5.8954   0.5384   3.1220 -104.4000   0.15  -0.30  -0.03  -0.01 
1 1 1   11   11    0 o   39.045   0.2759   40.629 -180.0000  -0.58   0.00   0.00   0.00 
1 1 1   11   11    1 o   63.291   0.5497   70.539 -29.0000   0.29   0.53   0.37   0.26 
1 1 1   11   11    2 f   4.8875   0.3543   16.728 -54.3000   0.07  -0.11   1.58  -0.08 
1 1 1   11   11    3 o   38.275   0.9919   29.583  129.600  -1.70   2.86   0.92   0.95 
1 1 1   11   11    4 o   31.732   1.2611   51.968 -117.5000  -2.62  -4.45   0.39  -0.56 
1 1 1   11   11    5 f   26.695   1.7506   18.366 -66.6000  -2.81  -9.68   1.79  -1.34 
1 1 1   11   11    6 o   38.518   1.5662   30.700   26.000  12.90   9.54  -0.84  -4.27 
1 1 1   11   11    7 o   74.259   1.8554   61.992   47.100   7.65   2.16  -1.65  -0.47 
1 1 1   11   11    8 o   37.861   2.9580   22.754  130.400 -22.34   5.87  -3.02   1.45 
1 1 1   11   11    9 o   63.478   0.7093   71.206  173.900  -1.40   3.25   1.68   0.48 
1 1 1   11   11   10 o   31.687   1.7190   33.646 -84.0000  13.97 -28.91   4.22   5.99 
1 1 1   11   11   11 o   30.492   0.2084   30.715 -64.6000  -0.54  -1.66   0.83  -3.25 
1 1 1   11   11   12 o   46.126   0.4691   31.923   78.000  -7.86   3.65  -2.63   1.99 
1 1 1   11   11   13 o   13.796   0.2063   10.282 -37.2000  -0.05   0.01  -0.02  -0.02 
1 1 1   11   11   14 o   19.913   1.6703   21.139 -167.1000 -33.51  -0.66  -9.84   0.03 
1 1 1   11   11   15 o   22.597   0.3916   9.9342   64.500   3.22  -0.33  -0.37   0.04 
1 1 1   11   11   16 o   9.4819   1.0052   13.370   24.200  13.15   3.90  -4.03  -2.32 
1 1 1   11   11   17 o   29.044   0.3153   25.726   32.900  -1.18   1.41  -1.75   1.97 
1 1 1   11   11   18 o   20.391   0.6276   19.579 -62.7000  -3.86  -5.90   1.00  -8.26 
1 1 1   11   11   19 o   21.610   0.1924   16.150 -156.0000   0.39  -1.84   0.45   0.97 
1 1 1   11   11   20 f   16.977   0.8468   19.094   83.100  11.14   5.82  -4.94  -4.60 
1 1 1   11   11   21 o   21.268   0.4736   14.317 -168.9000  -3.74   0.43  -0.52  -0.02 
1 1 1   11   11   22 o   18.420   0.1929   12.578  118.900   0.73  -0.95  -2.74  -2.10 
1 1 1   11   11   23 f   7.1927   1.1382   7.6402 -41.1000   7.12  -1.53  -0.88   0.28 
1 1 1   11   11   24 o   7.0987   0.4399   7.4960 -172.7000  -2.88  -3.45   1.16  -2.08 
1 1 1   11   11   25 o   3.9174   0.6130   4.4267   23.200   0.12   0.91   0.33   0.17 
1 1 1   11   11   26 o   19.607   0.2185   14.126 -75.8000  -0.33  -2.15  -2.32  -0.83 
1 1 1   11   11   27 f   10.283   0.3005   7.4999  100.700   0.29   2.08   0.24  -0.24 
1 1 1   11   11   28 o   2.2855   0.8952   3.7175   74.500   0.07   0.73   0.00   0.47 
1 1 1   11   11   29 o   11.253   0.3823   7.9843 -122.7000   0.06  -1.63   0.15   0.30 
1 1 1   11   11   30 o   6.1175   0.4634   6.2171  129.400  -1.04  -0.22  -0.07   0.29 
1 1 1   11   11   31 o   5.1291   0.5375   3.6438   87.600   0.66   0.29   0.14   0.15 
1 1 1   11   11   32 o   2.7662   1.3152   0.6110   68.100  -0.31   0.92   0.02   0.09 
1 1 1   11   11   33 o   2.8424   0.8003   5.6736 -12.2000  -0.28   0.30   0.03  -0.05 
1 1 1   11   11   34 o   5.7273   0.5504   5.4917 -141.8000  -0.93   0.62   0.15   0.12 
1 1 1   11   11   35 f   3.5768   1.7197   1.8416  -9.8000   0.47  -0.09  -0.01  -0.00 
1 1 1   11   13    0 o   0.9487   1.0069   2.7267  180.000  -0.03   0.00   0.00   0.00 
1 1 1   11   13    1 o   7.5584   0.4832   5.4584 -93.8000  -0.51  -1.19   0.18  -0.22 
1 1 1   11   13    2 o   12.995   0.4187   11.214 -149.9000  -0.68  -0.95   0.05  -0.26 
1 1 1   11   13    3 o   20.987   0.2015   23.957 -165.1000  -0.87  -2.35   1.10  -0.62 
1 1 1   11   13    4 o   12.673   0.5496   14.251 -35.6000  -1.86  -5.45   2.11  -1.92 
1 1 1   11   13    5 o   28.246   0.1684   19.569  -8.2000   0.67   1.21   0.21  -0.21 
1 1 1   11   13    6 o   50.192   0.4886   31.109  105.100  -0.42   0.25   0.40  -0.62 
1 1 1   11   13    7 o   30.928   0.5717   19.155   30.400   1.11   0.41  -0.24  -0.11 
1 1 1   11   13    8 o   33.950   1.2182   27.713 -100.5000  -5.59 -12.31   2.15  -3.06 
1 1 1   11   13    9 o   27.345   0.5140   13.792  143.000   3.58   4.32   0.55  -1.63 
1 1 1   11   13   10 o   22.603   1.6227   15.123   74.900  24.02  20.37  -1.50  -7.14 
1 1 1   11   13   11 o   14.259   1.2839   12.955 -168.4000 -18.60 -19.12   0.45  -6.43 
1 1 1   11   13   12 o   10.548   0.6993   16.440  108.400  -0.47  -0.89   0.02  -0.04 
1 1 1   11   13   13 o   17.831   0.3813   20.590 -75.5000  -6.29  -3.67  -6.22  -6.60 
1 1 1   11   13   14 o   16.581   0.3194   21.590 -117.8000  -2.72   2.15   0.32   3.87 
1 1 1   11   13   15 o   34.227   0.2039   36.495   87.200  -2.84   1.53  -5.49   0.37 
1 1 1   11   13   16 o   27.786   0.3978   28.506  -8.9000   8.12   6.57   0.17  -2.93 
1 1 1   11   13   17 o   29.385   0.4289   29.080 -75.0000  13.18  -3.31  -3.71   0.90 
1 1 1   11   13   18 o   14.935   0.8840   12.410   61.600 -12.39  11.77  -0.67   4.15 
1 1 1   11   13   19 o   6.9352   0.6054   5.6090 -37.6000   6.13   2.24  -2.99  -1.80 
1 1 1   11   13   20 o   15.477   0.2409   24.627  169.500  -0.44   2.13   2.08  -1.96 
1 1 1   11   13   21 o   11.714   0.2397   12.962   93.900   4.75   0.04  -3.75  -2.38 
1 1 1   11   13   22 f   7.1705   0.8910   5.1496   60.700   3.00   1.21  -0.15  -0.20 
1 1 1   11   13   23 o   2.4935   0.7627   4.2396  118.900   1.08   0.04  -0.51   0.34 
1 1 1   11   13   24 o   5.6906   0.4178   2.4177 -146.1000  -0.18  -0.08  -0.00   0.09 
1 1 1   11   13   25 o   8.8491   0.3023   7.8704 -123.2000   0.78  -1.55  -1.35   1.52 
1 1 1   11   13   26 o   8.4302   0.3579   4.2982 -63.4000  -0.15   1.08   0.17  -0.22 
1 1 1   11   13   27 o   8.0915   0.5585   6.5426   57.800  -2.24   0.89  -0.32   0.07 
1 1 1   11   13   28 o   6.8129   0.4242   6.6843 -39.8000   0.49  -1.58   0.35  -0.41 
1 1 1   11   13   29 o   4.1361   0.5738   3.7486 -120.5000   0.33  -0.34  -0.06   0.01 
1 1 1   11   13   30 o   9.5651   0.3323   8.2161   66.700   0.35   0.39   0.00   0.06 
1 1 1   11   13   31 f   4.7957   0.5596   2.8256  -0.2000   0.58   0.60  -0.09  -0.02 
1 1 1   11   13   32 o   4.3402   0.8249   5.0800 -177.0000  -0.44  -0.19   0.00  -0.02 
1 1 1   11   13   33 f   4.3173   0.8271   2.4066  148.000   0.11  -0.14   0.00  -0.01 
1 1 1   11   13   34 o   6.8178   1.5209   6.1352  160.600  -0.35   0.27   0.00  -0.00 
1 1 1   11   15    0 f   18.254   0.2219   16.498  180.000  -0.21   0.00   0.00   0.00 
1 1 1   11   15    1 o   37.114   0.1887   29.175  179.700  -0.90  -1.36   2.36   0.01 
1 1 1   11   15    2 o   14.608   0.4264   9.1080   66.400   2.01  -2.16   0.32   1.28 
1 1 1   11   15    3 f   26.449   0.1553   32.830 -54.4000   0.10   0.00  -0.01  -0.01 
1 1 1   11   15    4 o   16.437   0.9169   10.659  122.800  -8.07   6.98  -0.18   2.57 
1 1 1   11   15    5 f   15.163   0.6698   22.560   52.100   4.53   4.30  -0.22  -1.52 
1 1 1   11   15    6 f   28.377   0.6182   24.501 -61.7000  -2.83  -2.51  -0.36  -0.97 
1 1 1   11   15    7 o   8.5046   0.5422   4.3368  149.400  -6.14  -4.42  -1.54  -3.61 
1 1 1   11   15    8 o   20.808   0.2448   11.220   0.7000   1.63  -1.57   9.04   6.13 
1 1 1   11   15    9 o   19.656   0.8180   23.904  125.000  -9.86   0.80  -1.72   0.13 
1 1 1   11   15   10 o   19.713   0.8482   26.575  128.700  13.04  34.36  17.81 -18.88 
1 1 1   11   15   11 o   19.408   0.2697   10.573 -47.0000   1.42  -0.20  -0.42  -0.09 
1 1 1   11   15   12 o   12.541   0.2213   8.0520 -25.7000   4.20   3.46   0.85  -6.13 
1 1 1   11   15   13 o   8.6345   0.9462   7.6238 -107.6000  -8.43  -2.71  -1.32  -1.11 
1 1 1   11   15   14 f   9.8461   0.2185   7.5822  167.600  -0.14   0.41   0.48  -1.06 
1 1 1   11   15   15 o   5.9517   1.0004   7.6213  163.500  -6.42  -1.74  -1.09  -0.53 
1 1 1   11   15   16 o   9.3144   0.6643   7.8976 -113.4000 -10.55  -2.77  -3.14  -1.20 
1 1 1   11   15   17 o   8.7352   0.6630   5.7612 -45.6000   2.92   3.59   0.03  -0.73 
1 1 1   11   15   18 o   4.3538   0.6753   2.4870  -5.5000   4.09  -2.16  -0.68   1.56 
1 1 1   11   15   19 o   1.3252   0.8178   2.8089 -55.1000   0.07  -0.09  -0.12  -0.11 
1 1 1   11   15   20 o   9.0270   0.3080   5.2976 -126.3000   2.71  -3.44  -0.16   1.46 
1 1 1   11   15   21 o   8.0493   0.3077   8.1864   24.900   1.67   0.36  -1.04   0.39 
1 1 1   11   15   22 o   9.8940   0.7243   7.0300   84.400   8.14   0.08  -2.78   0.84 
1 1 1   11   15   23 o   7.1080   0.3073   7.4320 -104.9000   0.26  -0.31   0.10  -0.19 
1 1 1   11   15   24 f   2.4847   0.7094   3.9960 -144.2000   0.51  -1.19  -0.16   0.78 
1 1 1   11   15   25 o   0.0000   1.9795  ?   ?   -0.09   0.18   0.02   0.00 
1 1 1   11   15   26 o   4.9930   1.8054   8.1515   20.800   2.10  -3.47   0.26   0.30 
1 1 1   11   15   27 o   1.6948   0.8703   3.4466  173.300  -0.10  -0.35   0.02   0.08 
1 1 1   11   15   28 o   5.6898   0.4549   3.6595 -71.9000   0.25  -0.45   0.04  -0.06 
1 1 1   11   15   29 o   6.2834   0.4300   3.9968   37.200   0.83   0.05  -0.03   0.08 
1 1 1   11   15   30 o   5.8854   0.5159   4.8749  -2.9000  -0.64  -0.13   0.14  -0.08 
1 1 1   11   15   31 f   4.1418   0.7683   1.5272   66.600   0.07  -0.07  -0.00  -0.00 
1 1 1   11   17    0 o   29.631   0.2477   38.984 -180.0000  -0.91   0.00   0.00   0.00 
1 1 1   11   17    1 f   6.5990   0.2752   11.774 -142.3000  -0.76  -1.89   1.67  -0.86 
1 1 1   11   17    2 o   23.350   0.7845   16.817 -31.7000  -1.89  -6.65   1.84  -2.18 
1 1 1   11   17    3 o   11.241   0.2095   9.7325 -171.0000  -0.16   0.06   0.14   0.11 
1 1 1   11   17    4 o   18.947   0.2270   11.420   51.800  -0.35  -0.66   0.40  -0.02 
1 1 1   11   17    5 o   11.075   0.2902   9.2168 -15.2000   0.28   0.24   0.00  -0.01 
1 1 1   11   17    6 o   5.4977   0.3783   5.1044   64.300   0.66   0.09  -0.06  -0.02 
1 1 1   11   17    7 o   17.222   0.2794   18.791 -12.3000  -0.18  -0.62   0.03  -0.35 
1 1 1   11   17    8 o   14.076   0.3068   11.961 -142.7000  -2.44   1.72  -0.43   0.65 
1 1 1   11   17    9 o   14.571   0.1600   13.049   38.000   0.97  -0.06  -0.18  -0.05 
1 1 1   11   17   10 o   5.8802   0.5397   11.468 -52.8000  -1.55  -0.61  -0.20  -0.12 
1 1 1   11   17   11 o   12.931   0.5098   16.306   85.600  -1.34   4.05   0.47   0.54 
1 1 1   11   17   12 o   19.824   1.1766   17.598   47.100  16.67  10.56  -2.22  -3.19 
1 1 1   11   17   13 o   16.135   0.5754   16.998  148.900 -10.32  -1.85  -3.21  -2.32 
1 1 1   11   17   14 o   13.540   1.4653   16.496  167.200 -32.80   1.78  -5.26   1.03 
1 1 1   11   17   15 o   4.1436   1.3673   3.1883 -179.1000  -4.77   1.84  -0.51   0.57 
1 1 1   11   17   16 o   14.604   0.5417   9.4648  140.900  -5.93   5.12  -0.65   1.50 
1 1 1   11   17   17 o   11.937   0.2099   12.732 -137.7000  -0.64  -0.15  -0.18   0.34 
1 1 1   11   17   18 o   8.9659   0.3606   10.306 -61.0000  -2.36  -3.59  -0.01  -1.97 
1 1 1   11   17   19 o   0.0000   1.8944  ?   ?    0.01  -0.45   0.13  -0.14 
1 1 1   11   17   20 f   4.4313   0.6557   5.1239 -130.9000  -4.91  -3.25  -0.17  -2.00 
1 1 1   11   17   21 o   7.5634   0.8038   11.003   13.900   7.42   1.73  -1.45  -0.25 
1 1 1   11   17   22 o   5.0057   0.4121   4.8261 -76.7000   0.28  -0.68  -0.36  -0.35 
1 1 1   11   17   23 o   4.5566   0.4405   8.3703 -49.3000  -0.55  -0.38  -0.13   0.00 
1 1 1   11   17   24 o   7.0130   0.6796   8.5883   67.400   2.49  -0.08  -0.21   0.16 
1 1 1   11   17   25 o   8.0323   0.3095   5.7867  127.000  -0.07   0.41  -0.03   0.03 
1 1 1   11   17   26 o   4.2113   0.5644   3.5751 -87.1000  -0.08  -0.52  -0.04   0.09 
1 1 1   11   17   27 o   4.2864   0.5479   5.3155  158.900  -0.60   0.07   0.10   0.07 
1 1 1   11   17   28 f   3.7707   0.7137   7.2451 -11.8000   0.23   0.06   0.03   0.01 
1 1 1   11   17   29 o   5.4417   0.7085   3.4889   4.7000   0.16  -0.00  -0.00  -0.00 
1 1 1   11   19    0 o   23.518   0.2337   18.982  180.000  -0.50   0.00   0.00   0.00 
1 1 1   11   19    1 o   8.9169   0.2006   3.2432 -82.2000  -0.06   0.01  -0.00   0.01 
1 1 1   11   19    2 o   5.1911   0.6183   4.5632 -31.1000  -0.15  -4.32   1.01  -0.21 
1 1 1   11   19    3 o   2.3046   0.5397   0.5540   46.600   0.66   0.22  -0.27  -0.10 
1 1 1   11   19    4 o   7.0245   0.2483   9.6486  161.100   0.42  -2.18   1.00   0.96 
1 1 1   11   19    5 o   10.859   0.6156   12.938  115.800  -4.17   3.35  -0.04   1.05 
1 1 1   11   19    6 o   19.251   0.2978   19.421 -62.6000   2.29   0.20  -0.58   0.23 
1 1 1   11   19    7 o   8.5315   0.2043   5.1048 -116.7000   1.26  -1.39  -0.50   1.05 
1 1 1   11   19    8 o   10.837   0.3034   12.408   22.500   2.31   3.14   0.63  -0.89 
1 1 1   11   19    9 o   8.0581   0.8734   14.882 -36.7000  -2.54 -21.15   7.51  -2.85 
1 1 1   11   19   10 o   8.2856   0.2301   6.8321  175.000  -0.49   0.30   0.95  -0.73 
1 1 1   11   19   11 o   11.886   1.3221   9.7979   46.600  27.92  30.56  -0.09  -9.99 
1 1 1   11   19   12 o   5.4314   0.3187   5.2811 -32.1000   0.25  -0.04   0.27  -0.16 
1 1 1   11   19   13 o   7.4625   0.2530   10.564  106.300  -1.02  -1.49  -0.07  -0.67 
1 1 1   11   19   14 o   9.3416   0.2350   12.206   80.700  -0.27  -0.09   0.10  -0.02 
1 1 1   11   19   15 o   16.583   0.2679   14.874  142.200  -2.82  -0.51  -0.25  -1.16 
1 1 1   11   19   16 o   7.7684   0.2875   7.4952  165.900   0.02   0.09  -0.00   0.01 
1 1 1   11   19   17 o   14.395   0.6195   14.762 -132.1000 -14.51  -0.86  -4.08   0.95 
1 1 1   11   19   18 o   3.9476   0.7435   5.5389 -76.1000  -0.49  -1.47   0.07  -0.11 
1 1 1   11   19   19 o   5.1794   0.8697   1.0472   7.5000   2.85  -0.93  -0.18   0.29 
1 1 1   11   19   20 o   2.9433   0.5898   0.7629  117.400  -0.40  -0.43   0.18  -0.02 
1 1 1   11   19   21 o   14.909   0.6011   13.011 -27.2000   3.50  -0.36  -0.40  -0.38 
1 1 1   11   19   22 o   6.0162   0.3655   4.8952 -90.8000   0.45  -0.03   0.08   0.05 
1 1 1   11   19   23 f   7.4590   0.3157   7.0565   74.300  -1.65   2.27  -1.28   0.51 
1 1 1   11   19   24 o   6.0500   0.3669   3.5762 -30.5000  -0.37   0.11  -0.03  -0.06 
1 1 1   11   19   25 o   9.2897   0.7465   7.4382 -156.6000  -5.32   3.81   0.08   0.92 
1 1 1   11   19   26 o   4.9052   0.7449   2.8807   51.900   0.25  -0.23   0.01  -0.03 
1 1 1   11   21    0 o   1.8708   0.8151   2.7402   0.0000   0.05   0.00   0.00   0.00 
1 1 1   11   21    1 o   7.1777   0.2575   5.1876 -154.4000   1.03   1.83   0.00  -0.90 
1 1 1   11   21    2 o   3.6483   0.5545   2.9628 -37.3000  -0.64   0.22  -0.03   0.02 
1 1 1   11   21    3 o   7.1980   0.3198   5.9342   81.200  -1.11   1.04   0.11   0.29 
1 1 1   11   21    4 o   4.2803   0.3612   5.0577 -38.9000   0.58  -0.48  -0.04   0.07 
1 1 1   11   21    5 o   3.4808   0.4163   0.9803 -59.6000   0.29   0.15   0.09  -0.13 
1 1 1   11   21    6 o   11.364   0.4041   11.720  120.900   2.49   4.07   0.09  -1.42 
1 1 1   11   21    7 o   10.251   0.1839   8.9506 -176.0000   0.48  -1.23  -0.40   0.87 
1 1 1   11   21    8 o   5.4232   0.2856   1.7841 -133.8000  -0.34  -2.22   0.67  -0.69 
1 1 1   11   21    9 o   11.697   0.1764   11.833 -23.0000   0.21   0.54  -0.05   0.35 
1 1 1   11   21   10 o   10.982   0.5742   12.129 -96.2000  -0.67  -8.17   1.77   0.26 
1 1 1   11   21   11 f   6.8063   0.2575   7.3095   47.100   0.52  -0.13   0.34  -0.09 
1 1 1   11   21   12 f   6.2733   0.7040   5.5110   6.4000   4.18   5.24   0.67  -1.16 
1 1 1   11   21   13 o   11.472   0.1897   9.7997  130.400  -1.07   1.73  -1.84  -1.15 
1 1 1   11   21   14 f   10.241   0.2136   13.835   91.100   2.53   2.90  -1.87  -1.36 
1 1 1   11   21   15 o   8.5618   0.2432   8.1249 -136.3000  -0.19  -1.87   0.17   1.25 
1 1 1   11   21   16 o   6.6370   0.3181   5.1821 -92.4000   0.44  -0.39  -0.13  -0.06 
1 1 1   11   21   17 f   4.8086   0.4234   3.8367   90.500   0.24  -0.13  -0.01  -0.05 
1 1 1   11   21   18 o   2.9987   1.0726   2.2336 -36.2000  -0.01   0.37   0.01  -0.00 
1 1 1   11   21   19 o   2.3896   0.6706   2.7450 -40.6000   0.07  -0.71   0.08  -0.17 
1 1 1   11   21   20 o   1.1780   0.8652   3.2149 -112.7000   0.33  -0.27  -0.08   0.05 
1 1 1   11   21   21 o   4.6080   0.4624   2.0500 -135.9000  -0.25   0.31  -0.09  -0.10 
1 1 1   11   21   22 o   6.2420   0.9474   7.6798   94.300  -2.02   1.53  -0.18   0.17 
1 1 1   11   23    0 o   9.8539   0.2378   11.873  180.000  -0.17   0.00   0.00   0.00 
1 1 1   11   23    1 o   6.2436   0.2705   6.6353 -138.2000  -1.12  -0.83   0.53  -0.49 
1 1 1   11   23    2 o   4.3789   0.4307   7.8235 -34.1000   0.40   0.49   0.04  -0.04 
1 1 1   11   23    3 o   10.200   0.1798   7.2316   15.200   1.48  -1.49   1.36   0.20 
1 1 1   11   23    4 o   10.744   0.3562   8.3917   9.7000   4.63  -1.33  -0.35   0.50 
1 1 1   11   23    5 o   5.9335   0.3232   6.1822  155.300  -2.56   2.59   0.60   0.99 
1 1 1   11   23    6 o   10.940   0.1744   10.261  116.400  -0.72   1.71   0.48  -0.22 
1 1 1   11   23    7 o   3.7463   0.5459   2.8382 -19.3000  -0.02  -0.55   0.02  -0.01 
1 1 1   11   23    8 o   4.0497   0.3629   1.1778  158.100  -0.20  -0.17  -0.02   0.09 
1 1 1   11   23    9 o   8.9317   0.2807   8.5483   16.300   0.96  -1.99   0.38   0.05 
1 1 1   11   23   10 o   9.6412   0.5291   10.279 -113.2000  -4.09  -4.67  -0.41  -1.05 
1 1 1   11   23   11 o   4.5694   0.3657   3.2239  178.200  -0.38  -0.15   0.05  -0.06 
1 1 1   11   23   12 o   10.311   0.2009   8.0548   51.200   1.57   1.02  -0.56   0.18 
1 1 1   11   23   13 o   4.4589   0.6523   5.1774  138.700   1.19   0.57  -0.09  -0.05 
1 1 1   11   23   14 o   6.6800   0.2841   4.8866 -173.9000  -0.29   0.21   0.01   0.02 
1 1 1   11   23   15 o   3.2006   0.8753   1.4935 -136.3000   0.85  -0.11  -0.08  -0.01 
1 1 1   11   23   16 o   6.0159   0.4163   3.6463 -166.5000   0.05   0.57  -0.22   0.04 
1 1 1   11   23   17 o   6.2546   1.1082   2.5767  126.600  -0.24   0.19  -0.00  -0.01 
1 1 1   11   25    0 o   4.6476   0.4404   1.2118   0.0000  -0.06   0.00   0.00   0.00 
1 1 1   11   25    1 o   7.0519   0.2336   5.4004  152.000  -0.08   0.07   0.00  -0.01 
1 1 1   11   25    2 o   7.5275   0.4403   8.0821  116.600  -0.74   2.13   0.14   0.53 
1 1 1   11   25    3 o   6.4500   0.2683   4.9891 -96.1000  -0.02   0.23  -0.01   0.03 
1 1 1   11   25    4 o   7.8414   0.7806   6.9816 -104.3000  -1.22  -4.31   0.55  -0.11 
1 1 1   11   25    5 o   5.0215   0.6394   1.4827   99.700   1.45  -0.33  -0.14   0.00 
1 1 1   11   25    6 o   7.8376   0.6850   7.1396   16.000  -0.74   2.11   0.08   0.16 
1 1 1   11   25    7 f   5.4156   0.7227   1.7785  123.500  -0.18   0.20  -0.01  -0.01 
1 1 1   12    0    0 o   43.385   0.4064   65.959  180.000  -0.19   0.00   0.00   0.00 
1 1 1   12    0    1 f   6.8702   0.3460   2.8023   90.000   0.00   0.02   0.00   0.00 
1 1 1   12    0    2 o   22.305   0.2241   30.341   0.0000   0.15   0.00   0.00   0.00 
1 1 1   12    0    3 o   8.0125   0.3121   15.292   90.000  -0.00  -0.03   0.00   0.00 
1 1 1   12    0    4 o   38.054   0.2869   31.123  180.000  -0.28   0.00   0.00   0.00 
1 1 1   12    0    5 o   26.153   0.2237   40.358 -90.0000   0.00   0.09   0.00   0.00 
1 1 1   12    0    6 o   19.509   0.2205   35.305  -0.0000   0.20   0.00   0.00   0.00 
1 1 1   12    0    7 o   62.973   0.4024   63.762 -90.0000  -0.00  -0.72   0.00   0.00 
1 1 1   12    0    8 o   31.507   0.2971   16.897  -0.0000  -0.06   0.00   0.00   0.00 
1 1 1   12    0    9 o  118.291   0.6800   86.122   90.000   0.00   1.54   0.00   0.00 
1 1 1   12    0   10 o   17.216   0.2772   8.6466  -0.0000   0.05   0.00   0.00   0.00 
1 1 1   12    0   11 o   46.757   0.3144   13.335 -90.0000  -0.00  -0.17   0.00   0.00 
1 1 1   12    0   12 f   14.491   0.2676   27.143  180.000  -0.13   0.00   0.00   0.00 
1 1 1   12    0   13 o   36.368   0.3067   26.824   90.000   0.00   0.00   0.00   0.00 
1 1 1   12    0   14 o   37.295   0.2926   23.127  180.000  -0.04   0.00   0.00   0.00 
1 1 1   12    0   15 o   27.878   0.2612   32.452 -90.0000  -0.00  -0.08   0.00   0.00 
1 1 1   12    0   16 o   32.798   0.4259   24.627  -0.0000   0.15   0.00   0.00   0.00 
1 1 1   12    0   17 o   10.616   0.4340   11.833 -90.0000   0.00   0.10   0.00   0.00 
1 1 1   12    0   18 o   2.2361   0.9931   9.2162  180.000   0.03   0.00   0.00   0.00 
1 1 1   12    0   19 o   12.892   0.3583   7.9420 -90.0000  -0.00  -0.21   0.00   0.00 
1 1 1   12    0   20 o   6.1968   0.5467   6.2408  180.000  -0.04   0.00   0.00   0.00 
1 1 1   12    0   21 o   36.341   0.2975   34.558   90.000   0.00   0.65   0.00   0.00 
1 1 1   12    0   22 o   19.230   0.2768   26.437  -0.0000  -0.15   0.00   0.00   0.00 
1 1 1   12    0   23 o   12.377   0.3304   21.872 -90.0000  -0.00  -0.07   0.00   0.00 
1 1 1   12    0   24 o   5.6921   0.6504   11.513  180.000  -0.02   0.00   0.00   0.00 
1 1 1   12    0   25 o   14.332   0.3573   12.075   90.000   0.00   0.43   0.00   0.00 
1 1 1   12    0   26 o   4.0620   0.7990   1.1858  180.000   0.04   0.00   0.00   0.00 
1 1 1   12    0   27 f   1.6125   1.3543   0.8028 -90.0000  -0.00  -0.21   0.00   0.00 
1 1 1   12    0   28 o   12.361   0.3919   18.601  180.000  -0.05   0.00   0.00   0.00 
1 1 1   12    0   29 o   0.0000   3.0331   0.7453 -90.0000   0.00   0.10   0.00   0.00 
1 1 1   12    0   30 f   1.7889   1.0890   0.5502 -180.0000   0.01   0.00   0.00   0.00 
1 1 1   12    0   31 o   0.3162   1.0244   5.1260   90.000  -0.00  -0.07   0.00   0.00 
1 1 1   12    0   32 o   10.756   0.4929   10.680   0.0000   0.72   0.00   0.00   0.00 
1 1 1   12    0   33 f   2.4900   1.1365   1.3864 -90.0000   0.00   0.10   0.00   0.00 
1 1 1   12    0   34 o   6.6708   0.7622   11.883  180.000  -0.73   0.00   0.00   0.00 
1 1 1   12    0   35 o   4.1352   1.0208   4.9236   90.000   0.00   0.20   0.00   0.00 
1 1 1   12    0   36 o   2.7928   1.1441   2.1778   0.0000   0.13   0.00   0.00   0.00 
1 1 1   12    0   37 o   3.3317   1.1576   3.1469 -90.0000  -0.00  -0.09   0.00   0.00 
1 1 1   12    0   38 f   6.2769   1.1368   1.4185   0.0000  -0.49   0.00   0.00   0.00 
1 1 1   12    2    0 o   74.732   0.4496   60.919   0.0000   0.44   0.00   0.00   0.00 
1 1 1   12    2    1 o   52.169   1.1420   60.290   33.100  -3.75  10.17   4.98   5.91 
1 1 1   12    2    2 f   59.697   1.1710   51.104  135.300   4.12  10.53   2.80  -3.43 
1 1 1   12    2    3 o   62.266   2.1271   78.596 -101.8000   5.88 -15.28   4.18   4.81 
1 1 1   12    2    4 o   24.463   0.1823   18.394  140.800   0.20  -0.25   1.10   0.44 
1 1 1   12    2    5 o   28.699   1.7714   38.449   85.100  10.00  20.40   3.72  -4.47 
1 1 1   12    2    6 o   28.982   0.1763   23.793 -74.3000  -5.81  -1.82  -2.78  -1.56 
1 1 1   12    2    7 o   29.338   0.6604   29.475  153.700  -1.24  -2.50   5.55  -3.87 
1 1 1   12    2    8 o   18.468   0.8163   24.038 -28.7000  11.10  -7.29  -1.29   3.23 
1 1 1   12    2    9 o   17.116   1.3085   15.658   4.1000   4.14  20.35   6.62  -2.61 
1 1 1   12    2   10 o   40.184   0.7334   39.205 -47.9000   6.53   0.70  -2.14  -0.73 
1 1 1   12    2   11 o   20.003   0.4234   22.947 -60.4000   4.26   0.61  -1.72  -0.36 
1 1 1   12    2   12 o   58.550   1.7675   53.929  107.000   6.69  12.89   1.76  -3.79 
1 1 1   12    2   13 o   15.739   0.1990   20.774 -83.5000  -0.21  -0.00  -0.16   0.15 
1 1 1   12    2   14 o   51.291   1.3576   45.423 -148.5000  -4.80  -2.86  -1.13  -1.20 
1 1 1   12    2   15 o   14.410   0.7084   12.023  109.600   0.81   1.88   0.50  -0.75 
1 1 1   12    2   16 f   29.929   0.2456   18.764   71.300  -0.74   0.80  -1.93   1.44 
1 1 1   12    2   17 o   16.742   1.1284   11.830 -141.3000 -12.54  -4.53  -2.58  -1.93 
1 1 1   12    2   18 o   22.127   0.1834   19.655 -101.5000  -2.58  -0.94  -5.21  -1.38 
1 1 1   12    2   19 o   21.117   0.4468   16.256   69.300   4.63  -1.00  -1.17   0.73 
1 1 1   12    2   20 o   30.932   0.9292   19.474   15.600  17.54  -6.57  -2.70   2.77 
1 1 1   12    2   21 o   13.668   0.4339   9.2842   20.300   1.21   1.28   0.20  -0.67 
1 1 1   12    2   22 o   18.240   0.5586   15.698 -157.0000 -11.00  11.98   1.10   5.79 
1 1 1   12    2   23 o   0.5823   0.9451   4.8572 -168.5000   0.28   0.38   0.02  -0.14 
1 1 1   12    2   24 o   9.0084   0.5562   3.4479 -10.7000   2.66  -1.33  -0.28   0.60 
1 1 1   12    2   25 o   10.918   0.2776   7.3260   47.000   0.06   0.06   0.02   0.00 
1 1 1   12    2   26 o   3.1703   0.7481   1.7948 -105.7000  -0.06  -0.15  -0.06   0.12 
1 1 1   12    2   27 o   6.1989   0.4592   4.1974  167.600   0.40   0.41  -0.06  -0.09 
1 1 1   12    2   28 o   8.8188   0.3688   1.2198  117.800  -2.47   1.28  -1.00   0.45 
1 1 1   12    2   29 o   7.3292   0.3895   9.9371 -86.1000  -1.02  -0.86  -1.57   0.58 
1 1 1   12    2   30 o   3.0344   0.7218   4.7794 -152.2000   0.57  -0.17  -0.23  -0.32 
1 1 1   12    2   31 o   4.7766   1.1666   6.5738   65.900   2.20  -1.09  -0.06   0.28 
1 1 1   12    2   32 f   5.1987   0.5817   2.6933   63.100  -0.37   0.56   0.11  -0.05 
1 1 1   12    2   33 o   3.6686   0.6923   2.8721  144.400  -0.61   0.18   0.03  -0.15 
1 1 1   12    2   34 o   2.1550   1.0534   3.5188  119.000   0.22   0.69   0.08   0.04 
1 1 1   12    2   35 o   2.3703   0.9114   1.2631 -40.6000   0.62  -0.28   0.15  -0.03 
1 1 1   12    2   36 o   3.0937   0.8081   2.9649  142.300  -0.82  -0.20   0.14  -0.05 
1 1 1   12    2   37 o   4.2186   0.7411   4.5758  160.400  -0.84   0.78   0.13   0.07 
1 1 1   12    2   38 o   6.0244   1.1271   2.6992   13.600   0.21  -0.05   0.00  -0.00 
1 1 1   12    4    0 o   65.158   0.3966   60.268  -0.0000   0.45   0.00   0.00   0.00 
1 1 1   12    4    1 o   56.243   1.2970   51.490  122.000   3.79  24.43   9.00  -3.75 
1 1 1   12    4    2 o   47.197   2.0683   55.681   90.800  22.60  42.41   5.99  -9.73 
1 1 1   12    4    3 o   38.021   2.0795   37.004 -92.3000  -3.91 -34.46   5.74  -1.51 
1 1 1   12    4    4 o   19.248   0.8296   18.731  149.700   6.16  16.33   8.37  -6.78 
1 1 1   12    4    5 o   19.172   2.2887   19.062 -82.4000   7.23 -47.32   8.53   2.79 
1 1 1   12    4    6 o   34.887   1.7456   43.941 -147.4000 -23.91 -20.56  -0.92  -8.08 
1 1 1   12    4    7 o   15.650   0.2580   8.3175   63.800   0.44   0.44   0.12  -0.55 
1 1 1   12    4    8 o   11.959   0.9474   14.554 -38.9000  22.90   7.77 -13.91 -11.24 
1 1 1   12    4    9 o   20.443   0.9204   26.517  147.800   0.53   8.45   3.03  -0.23 
1 1 1   12    4   10 o   6.6933   1.4770   1.9342  173.500  16.42   4.03  -3.82  -1.95 
1 1 1   12    4   11 o   23.711   0.7800   12.612 -25.9000   4.41  -0.64  -1.17   0.51 
1 1 1   12    4   12 f   6.7912   0.7872   13.368 -17.3000  -0.28  -0.07  -0.01  -0.00 
1 1 1   12    4   13 o   24.699   0.1955   23.273 -105.9000  -0.80  -0.21  -1.17   0.23 
1 1 1   12    4   14 f   17.681   0.7354   11.688   74.400  -0.70   2.14   0.39   0.22 
1 1 1   12    4   15 o   22.706   1.1399   20.585   52.100   5.07   7.04   0.67  -3.02 
1 1 1   12    4   16 o   0.0000   1.9028  ?   ?   -0.30  -0.51   0.07  -0.15 
1 1 1   12    4   17 o   7.4191   0.4590   3.9954 -92.6000  -4.36   0.06  -2.71   0.30 
1 1 1   12    4   18 o   17.126   0.6085   10.321 -155.1000  -7.76  -0.93  -3.35  -1.18 
1 1 1   12    4   19 o   18.645   0.3703   18.881   56.300  -2.00   4.60   2.78   4.64 
1 1 1   12    4   20 o   22.612   1.1016   10.234   4.3000  14.79   3.11  -3.86  -2.24 
1 1 1   12    4   21 o   10.397   0.5529   11.996 -168.4000  -3.67   1.31  -0.49   0.48 
1 1 1   12    4   22 f   5.1766   0.4584   8.2262  144.500   0.45   0.81   0.15  -0.48 
1 1 1   12    4   23 o   4.7632   1.5582   4.1529 -34.9000   4.26  -0.33  -0.64   0.15 
1 1 1   12    4   24 o   13.356   0.4495   11.184 -160.7000  -2.38  -1.51  -0.47  -0.53 
1 1 1   12    4   25 o   1.5776   1.0658   4.7539 -171.8000   0.38  -0.56   0.02   0.20 
1 1 1   12    4   26 o   12.824   0.5105   16.576   63.500   6.70   1.78  -4.46  -0.32 
1 1 1   12    4   27 f   7.5721   0.3555   7.7066 -68.9000  -0.06   0.49   0.03   0.03 
1 1 1   12    4   28 o   5.1398   0.4891   11.240 -87.0000  -2.26  -0.10  -0.95   0.54 
1 1 1   12    4   29 o   3.8469   1.0263   3.7631 -85.8000   0.81  -0.22  -0.05   0.01 
1 1 1   12    4   30 o   2.6337   0.7790   3.0084   64.200   0.38   0.18   0.15   0.20 
1 1 1   12    4   31 o   4.1641   0.6860   2.3172   79.600  -0.01   0.72   0.05  -0.06 
1 1 1   12    4   32 o   3.8563   0.7386   3.5899  164.000  -0.34  -0.44   0.09   0.10 
1 1 1   12    4   33 o   0.7510   1.0304   1.9063   0.6000   0.40   1.10   0.24  -0.00 
1 1 1   12    4   34 o   4.2568   1.0780   3.3947 -96.9000   0.34  -0.84   0.05  -0.01 
1 1 1   12    4   35 o   7.4900   0.4480   1.7053  116.600  -0.93   0.31   0.09  -0.11 
1 1 1   12    4   36 o   0.0000   2.3946  ?   ?   -0.31   0.12   0.02  -0.06 
1 1 1   12    4   37 o   3.9645   1.5152   1.4865  146.700   0.13  -0.19   0.00  -0.00 
1 1 1   12    6    0 o   10.844   0.3092   1.2348 -180.0000  -0.06   0.00   0.00   0.00 
1 1 1   12    6    1 o   61.718   0.8330   66.838 -51.6000   0.06  -4.14   0.62   0.11 
1 1 1   12    6    2 o   43.344   0.3103   41.389   57.100  -6.08   5.15  -4.18  10.29 
1 1 1   12    6    3 o   27.039   0.5894   40.687   10.300   0.45  -3.62   0.94   0.15 
1 1 1   12    6    4 o   5.2896   1.4243   16.633   64.300  -4.58   9.40   1.59   1.99 
1 1 1   12    6    5 o   49.832   1.8682   64.330  107.000   9.42  28.51   5.99  -5.01 
1 1 1   12    6    6 o   4.4148   0.5267   10.715   84.400  -0.40  -3.10   1.93  -0.58 
1 1 1   12    6    7 o   12.207   0.4411   15.744   35.800   6.85   4.01  -3.03  -6.11 
1 1 1   12    6    8 f   57.537   0.2588   58.462  171.600  -0.05  -3.36   4.36   2.30 
1 1 1   12    6    9 o   35.521   0.6306   35.692 -167.2000  -2.75   1.10  -1.18   0.60 
1 1 1   12    6   10 f   31.945   0.4019   31.859 -73.6000   0.58  -1.79   0.53   0.20 
1 1 1   12    6   11 o   30.021   0.3807   26.898 -48.8000  -0.97  -3.15   1.59  -2.04 
1 1 1   12    6   12 o   10.638   0.2957   12.137 -44.8000   0.05  -0.08   0.00   0.02 
1 1 1   12    6   13 o   25.465   0.4211   20.830  166.800   2.16   3.89   0.96  -3.45 
1 1 1   12    6   14 o   21.802   0.1951   23.203   26.900   0.89  -0.83   0.15   0.59 
1 1 1   12    6   15 o   24.537   0.9552   22.921 -30.2000  16.91   0.17  -5.52  -0.54 
1 1 1   12    6   16 o   15.663   0.1847   19.124  144.100  -0.06   0.53   0.80  -0.38 
1 1 1   12    6   17 o   33.108   0.7483   25.446   73.600   8.51   4.53  -2.75  -2.90 
1 1 1   12    6   18 o   32.039   0.1966   14.220 -149.1000  -1.11   0.76   0.07   0.62 
1 1 1   12    6   19 o   15.006   0.6388   13.541 -61.1000  12.21   6.06  -3.94  -6.51 
1 1 1   12    6   20 f   14.586   0.2654   5.5353 -24.0000   1.27   1.81   0.81  -1.09 
1 1 1   12    6   21 o   13.620   0.9844   11.610 -171.5000 -17.14   6.48  -4.22   3.24 
1 1 1   12    6   22 o   7.4770   0.6012   5.1032   55.200   1.66   0.62  -0.22  -0.13 
1 1 1   12    6   23 o   7.2195   0.5544   2.5275 -163.2000  -2.55   0.92  -0.49   0.63 
1 1 1   12    6   24 o   9.9740   0.3545   9.7309 -176.8000  -0.87  -0.10  -0.37   0.16 
1 1 1   12    6   25 f   8.8216   0.5135   5.0979 -41.9000   1.19   0.45  -0.56   0.02 
1 1 1   12    6   26 o   10.796   0.2956   9.4341  103.400  -1.62   0.88  -0.58   0.23 
1 1 1   12    6   27 o   8.3097   1.0434   3.8098 -168.4000  -6.13   3.11  -0.55   1.43 
1 1 1   12    6   28 o   7.7438   0.3744   2.2648   4.8000  -0.88   0.31  -0.22  -0.04 
1 1 1   12    6   29 o   3.0023   0.8694   5.9109   44.400   0.79  -0.17  -0.08   0.16 
1 1 1   12    6   30 o   3.7307   0.6666   6.7271 -83.2000   0.41  -0.61  -0.29   0.07 
1 1 1   12    6   31 o   7.9565   0.5300   7.6647 -163.6000  -0.99  -0.05  -0.06   0.07 
1 1 1   12    6   32 o   1.6562   1.0269   1.6890 -41.8000   0.04  -0.13  -0.00  -0.01 
1 1 1   12    6   33 o   0.0000   2.2128  ?   ?    0.13   0.08   0.01   0.01 
1 1 1   12    6   34 f   5.9033   0.5440   2.6047 -34.0000  -0.31   0.71  -0.04  -0.10 
1 1 1   12    6   35 o   5.9836   0.5456   5.5330 -21.1000   0.36   0.13   0.02  -0.00 
1 1 1   12    6   36 f   5.1669   0.6786   3.1940  142.300   0.26   0.84   0.06   0.05 
1 1 1   12    6   37 o   7.7387   0.6962   1.7217   9.4000  -0.32   0.16   0.00  -0.01 
1 1 1   12    8    0 o   21.907   0.2906   42.881  -0.0000   0.09   0.00   0.00   0.00 
1 1 1   12    8    1 o   43.924   0.2231   53.661 -32.6000   0.36   0.24   0.35  -0.20 
1 1 1   12    8    2 o   27.356   0.2385   29.691  114.700   0.81   0.79  -0.40  -0.76 
1 1 1   12    8    3 o   37.727   1.3580   31.650 -57.2000  -2.24  -8.92   2.70  -0.98 
1 1 1   12    8    4 o   34.979   0.1956   9.9542 -80.0000   0.17  -0.18   0.22  -0.01 
1 1 1   12    8    5 f   40.469   1.4616   47.989   65.700   3.17   8.94   1.87  -1.14 
1 1 1   12    8    6 o   10.397   0.3179   10.242   20.000   0.37  -0.16  -0.05   0.08 
1 1 1   12    8    7 o   65.224   0.4360   64.824  126.500   0.99   3.19   0.66  -2.40 
1 1 1   12    8    8 o   65.276   0.6236   63.526 -151.6000  -0.54  -3.28   3.67   2.86 
1 1 1   12    8    9 o   48.741   1.1703   46.632 -60.9000  -6.12  -8.16   0.30  -3.63 
1 1 1   12    8   10 o   69.591   1.6991   71.344   17.700   6.83  12.53   3.31  -3.10 
1 1 1   12    8   11 o   30.362   0.2632   27.953  154.300   0.05   0.40   0.12  -0.24 
1 1 1   12    8   12 o   39.981   1.0567   56.261  144.000 -21.93  -8.08  -6.61  -7.20 
1 1 1   12    8   13 o   21.679   0.7382   19.224 -63.6000   7.65  -4.06  -1.23   2.23 
1 1 1   12    8   14 o   37.382   0.2044   37.590 -49.4000   7.78   4.32  -2.50 -11.90 
1 1 1   12    8   15 o   14.295   1.2448   13.046 -78.1000   6.35 -20.70   3.56   2.59 
1 1 1   12    8   16 o   25.932   0.1848   27.455  116.300  -6.81  -2.58  -7.03 -12.40 
1 1 1   12    8   17 o   9.1723   0.2607   9.0975  104.900   1.17   0.15  -0.86  -0.53 
1 1 1   12    8   18 o   16.237   0.7700   21.393 -139.0000 -14.20   4.15  -7.33   6.07 
1 1 1   12    8   19 o   18.277   0.1832   11.157   37.900  -0.83   1.76   0.34   2.37 
1 1 1   12    8   20 f   10.190   0.9953   6.4754   73.700  -9.92  10.00  -0.19   2.80 
1 1 1   12    8   21 o   5.4909   0.4173   7.5509 -143.0000  -0.08  -0.10   0.01  -0.01 
1 1 1   12    8   22 o   10.491   0.8031   9.3742 -57.5000  11.48  -3.62  -2.46   1.36 
1 1 1   12    8   23 o   0.0000   1.9170  ?   ?    0.00   0.00   0.00  -0.00 
1 1 1   12    8   24 o   6.2766   0.3854   7.9263 -88.1000   1.97  -0.43  -0.91   1.93 
1 1 1   12    8   25 o   1.9156   0.8781   5.5880 -81.8000  -0.13  -0.12  -0.13   0.04 
1 1 1   12    8   26 o   12.178   0.5093   8.2659  100.300  -1.39   2.95   0.85   0.32 
1 1 1   12    8   27 o   1.2012   0.9394   7.1258   82.200  -1.09   0.06  -0.27  -0.06 
1 1 1   12    8   28 o   2.0418   0.8861   4.2286   52.400   0.04   0.04   0.00   0.00 
1 1 1   12    8   29 o   3.3739   0.7467   1.1686   9.7000  -0.47  -0.15  -0.05   0.14 
1 1 1   12    8   30 o   5.2761   0.5704   4.7429 -125.7000   0.29  -0.33  -0.08  -0.05 
1 1 1   12    8   31 o   4.7936   0.5873   3.8997 -160.6000   0.49   0.43   0.11   0.06 
1 1 1   12    8   32 o   3.1317   0.9999   3.7406 -121.7000  -0.61  -0.71   0.10  -0.05 
1 1 1   12    8   33 o   6.9641   0.4703   4.6843 -177.4000  -0.15   0.13   0.00  -0.01 
1 1 1   12    8   34 o   7.2555   0.7666   5.1133 -12.9000   1.89   1.42   0.09  -0.14 
1 1 1   12    8   35 o   7.7166   0.4943   3.8929 -23.3000   0.61  -0.06   0.03  -0.05 
1 1 1   12    8   36 o   6.9256   2.1133   3.0984   83.100   1.40   0.21  -0.04   0.01 
1 1 1   12   10    0 o   20.335   0.5178   12.850   0.0000   0.19   0.00   0.00   0.00 
1 1 1   12   10    1 o   71.418   1.0284   68.226  174.500  -3.66   0.38  -0.77   0.59 
1 1 1   12   10    2 f   36.534   1.0591   15.364  164.000  -3.07  -5.54   1.21  -1.34 
1 1 1   12   10    3 o   74.910   0.3725   59.701 -50.0000  -2.15   1.51  -1.66   0.49 
1 1 1   12   10    4 o   55.589   0.9671   51.442   38.000   2.28   5.81   2.36  -1.05 
1 1 1   12   10    5 o   78.101   0.3507   66.236   60.400  -0.79   0.31   0.04   0.19 
1 1 1   12   10    6 o   33.465   0.8007   33.357  154.800  -4.38  -5.55   1.83  -3.80 
1 1 1   12   10    7 f   79.133   0.3345   72.065 -154.3000   0.11   0.05  -0.00   0.00 
1 1 1   12   10    8 o   16.104   0.8981   24.948 -94.2000  12.44  -1.61  -4.51   0.89 
1 1 1   12   10    9 o   63.485   0.3706   61.330 -24.7000  -2.21  -5.51   0.90  -2.18 
1 1 1   12   10   10 o   38.816   0.3737   30.563  154.700   1.40  -0.02  -0.15   0.05 
1 1 1   12   10   11 f   63.049   0.4288   56.506  111.300   2.35   6.08   1.28  -4.07 
1 1 1   12   10   12 o   54.532   0.9980   44.593 -41.1000  -0.99 -13.22   3.77  -1.43 
1 1 1   12   10   13 f   12.031   0.3487   10.486 -121.4000  -3.56  -2.73  -1.18  -2.96 
1 1 1   12   10   14 o   15.600   0.7882   17.682   79.700   9.82   4.40  -2.61  -2.43 
1 1 1   12   10   15 o   23.530   0.1769   23.706 -75.2000  -3.41   0.23  -1.96  -0.39 
1 1 1   12   10   16 o   9.7329   0.5221   14.996  146.600  -2.27  -0.03  -0.55   0.06 
1 1 1   12   10   17 o   8.0078   0.2946   12.920  168.200  -1.06  -0.21  -0.57  -0.09 
1 1 1   12   10   18 f   16.425   0.8670   4.7546  129.900   1.89   8.70   2.57  -1.88 
1 1 1   12   10   19 o   4.2170   0.4951   10.124   80.700   0.10   0.24  -0.17  -0.39 
1 1 1   12   10   20 o   12.528   1.2826   18.693 -121.2000 -13.85  -7.91  -1.87  -2.58 
1 1 1   12   10   21 o   5.2732   0.4342   7.3302 -80.8000   0.79  -0.18  -0.80  -0.53 
1 1 1   12   10   22 o   8.8918   0.4426   7.9381 -43.0000   4.17  -0.72  -1.18   0.85 
1 1 1   12   10   23 o   4.6246   0.4814   6.9363  102.900   1.90  -0.17  -0.90   0.70 
1 1 1   12   10   24 o   8.6262   0.2998   6.8155 -36.1000   0.37  -0.34  -0.32  -0.25 
1 1 1   12   10   25 o   7.7207   0.8724   5.9638 -51.5000   7.87  -4.93  -1.27   1.63 
1 1 1   12   10   26 o   8.8010   0.3792   9.8675   91.800  -1.89   1.41  -1.09   0.57 
1 1 1   12   10   27 o   0.3539   0.8390   1.1759 -153.1000   0.25   0.07  -0.04   0.01 
1 1 1   12   10   28 o   3.2861   0.6861   2.3070  118.000   0.02  -0.90   0.09   0.29 
1 1 1   12   10   29 o   5.1787   0.5022   2.4265   35.600  -0.57   0.60  -0.08   0.05 
1 1 1   12   10   30 f   3.0777   0.7378   3.3350 -61.7000   0.39   0.48   0.08  -0.01 
1 1 1   12   10   31 o   4.9396   0.5665   1.6630  -7.7000  -0.07  -0.10   0.00   0.00 
1 1 1   12   10   32 o   3.2761   1.5324   3.8725 -113.7000  -0.30  -1.20   0.12   0.04 
1 1 1   12   10   33 o   5.2183   0.9587   5.6913 -171.1000  -1.15  -0.75  -0.08  -0.05 
1 1 1   12   10   34 o   2.7468   0.9647   4.0851   45.600   0.31   0.00   0.04   0.01 
1 1 1   12   12    0 o   13.446   0.2626   3.8667  180.000   0.17   0.00   0.00   0.00 
1 1 1   12   12    1 o   39.348   0.4170   29.917  144.500  -2.07   3.13   2.04   1.96 
1 1 1   12   12    2 o   13.442   0.5926   12.525   58.000   3.79   2.39  -0.64  -1.11 
1 1 1   12   12    3 o   19.724   0.1580   10.102 -44.8000  -0.14   0.65   0.51   1.13 
1 1 1   12   12    4 o   11.886   0.3216   9.4700   60.600   1.56  -1.56  -0.06   0.64 
1 1 1   12   12    5 o   11.265   0.1921   2.3008 -59.2000   0.48  -0.63   0.02   0.20 
1 1 1   12   12    6 o   6.0685   0.3132   4.7885 -54.3000   0.91  -0.36  -0.23   0.26 
1 1 1   12   12    7 o   14.330   1.1623   11.526 -170.5000 -11.68  15.73   1.19   4.53 
1 1 1   12   12    8 o   21.859   1.0763   22.360  132.400  -3.48  11.22   2.29   1.35 
1 1 1   12   12    9 o   27.311   1.5193   18.721 -123.2000   5.99 -40.72   9.13   3.42 
1 1 1   12   12   10 o   17.278   0.7121   21.245 -112.6000  -1.10  -5.82   1.25  -0.66 
1 1 1   12   12   11 o   15.074   1.4425   26.014  -7.4000  29.88  19.19  -2.82  -6.86 
1 1 1   12   12   12 o   13.604   0.1814   16.752 -38.2000  -0.41  -0.43  -1.09  -0.81 
1 1 1   12   12   13 f   25.983   0.8107   34.910  118.700  20.08   7.45 -10.48  -6.59 
1 1 1   12   12   14 o   13.968   0.6434   18.983   40.700   9.84  -4.91  -2.55   4.29 
1 1 1   12   12   15 o   32.340   0.7173   31.961 -68.3000  -9.01  -8.93  -5.24  -9.13 
1 1 1   12   12   16 o   27.433   0.2015   30.466 -177.9000  -0.97  -2.72   0.62  -0.12 
1 1 1   12   12   17 o   22.333   0.5912   25.302  100.700   5.55   3.79  -6.17  -4.30 
1 1 1   12   12   18 o   2.2490   0.6769   4.1371  118.000  -0.39   0.56   0.50   0.49 
1 1 1   12   12   19 o   20.297   1.2530   23.512 -179.9000 -19.98   0.72  -3.61   0.92 
1 1 1   12   12   20 o   14.304   0.5437   16.625  -4.1000   6.87   9.29   1.97  -3.26 
1 1 1   12   12   21 o   15.341   0.2030   19.581 -72.8000  -1.87   1.14  -2.50  -0.37 
1 1 1   12   12   22 f   4.6228   0.5070   6.3033 -136.8000  -0.89  -0.02  -0.28  -0.46 
1 1 1   12   12   23 o   3.5271   0.5796   5.9392 -35.7000  -2.16  -0.28  -0.82   0.14 
1 1 1   12   12   24 o   15.460   0.2192   8.3881 -70.7000   0.68  -0.61   0.41  -0.41 
1 1 1   12   12   25 f   10.738   0.2544   4.9361   41.900   3.18  -2.13   0.33   1.15 
1 1 1   12   12   26 o   9.3584   0.2865   10.414  110.100   0.34  -0.07   0.01   0.03 
1 1 1   12   12   27 o   2.9685   0.6614   1.7102 -24.7000  -0.19   0.51   0.09  -0.09 
1 1 1   12   12   28 o   3.1666   0.6718   2.0788   93.200  -0.19   0.24   0.03  -0.01 
1 1 1   12   12   29 o   6.4605   0.4374   5.8570   75.600   0.45   0.05   0.06   0.02 
1 1 1   12   12   30 o   5.5692   0.8895   5.8439 -77.6000   0.09  -0.53   0.01   0.01 
1 1 1   12   12   31 f   4.5798   0.5729   3.8671 -158.2000   0.02  -0.32  -0.01   0.02 
1 1 1   12   12   32 o   2.8906   0.8365   1.7571 -150.9000   0.12  -0.36  -0.00   0.02 
1 1 1   12   12   33 o   6.1424   0.7142   0.9625   67.600   0.16   0.21  -0.01   0.00 
1 1 1   12   14    0 o   14.816   0.2326   7.3814  -0.0000   0.05   0.00   0.00   0.00 
1 1 1   12   14    1 o   9.4845   0.2104   13.351 -38.3000   0.20  -0.10  -0.61  -0.25 
1 1 1   12   14    2 o   21.420   0.2539   12.839 -15.9000   4.99   0.62  -1.72  -0.80 
1 1 1   12   14    3 o   14.616   0.1668   19.236  113.800  -1.63   0.02  -0.77  -0.18 
1 1 1   12   14    4 o   15.484   0.1634   8.9048  107.900  -0.99  -0.06  -0.93  -0.76 
1 1 1   12   14    5 o   10.095   0.7574   12.356 -65.7000  -2.08  -7.16   1.64  -1.20 
1 1 1   12   14    6 o   12.186   0.3616   16.271  167.400  -2.67   1.54  -0.31   0.44 
1 1 1   12   14    7 o   10.194   0.4960   14.357   53.400   3.48   1.85  -1.24  -1.41 
1 1 1   12   14    8 o   14.276   1.7509   13.261  129.900  -7.33  35.22   6.21   2.45 
1 1 1   12   14    9 f   12.621   0.1804   11.770 -93.1000   0.39  -1.16   0.23   0.39 
1 1 1   12   14   10 o   28.252   1.2354   27.672 -34.1000  -9.21 -26.35   8.09  -9.89 
1 1 1   12   14   11 o   13.798   0.6230   13.917 -171.0000  -3.90   4.32   0.47   1.59 
1 1 1   12   14   12 o   5.1077   1.0033   8.7286 -152.7000  -8.23  -7.43  -0.11  -3.98 
1 1 1   12   14   13 o   12.644   0.9318   8.4523   53.600   1.23   8.84   1.13  -0.21 
1 1 1   12   14   14 o   12.838   1.2782   6.6115 -79.9000 -15.93 -12.12  -1.42  -3.87 
1 1 1   12   14   15 o   5.6725   0.3754   4.7598 -35.2000   0.19   0.13   0.30   0.11 
1 1 1   12   14   16 o   11.189   0.6955   16.191   74.400  10.02   3.16  -3.71  -1.58 
1 1 1   12   14   17 o   5.2918   0.3680   5.4877  110.700  -0.85   0.24  -0.38   0.01 
1 1 1   12   14   18 o   12.382   0.2941   13.281  135.600  -4.89  -0.61  -3.28   0.76 
1 1 1   12   14   19 o   1.6958   0.8723   2.6662  125.800  -0.10   0.37   0.08   0.00 
1 1 1   12   14   20 o   3.5256   0.5663   2.4756 -74.0000   0.97   0.45  -0.44  -0.11 
1 1 1   12   14   21 o   8.6809   0.5709   8.1834 -144.1000  -3.63   2.66  -0.00   0.93 
1 1 1   12   14   22 o   7.4321   0.6711   9.4048 -89.4000  -6.63  -0.02  -1.73   0.71 
1 1 1   12   14   23 o   0.8961   0.9269   3.6618 -15.1000   0.16   0.11   0.07   0.05 
1 1 1   12   14   24 o   3.9125   0.8803   4.9828   27.900   3.93  -1.65  -0.42   1.08 
1 1 1   12   14   25 o   3.1391   0.6852   2.0162  127.400   0.22  -0.27  -0.04   0.01 
1 1 1   12   14   26 o   3.1303   0.8539   3.4393  173.300  -1.13   0.47  -0.02   0.15 
1 1 1   12   14   27 o   2.4613   0.7369   2.1218 -32.8000  -0.06   0.38  -0.03   0.06 
1 1 1   12   14   28 o   2.4183   0.7701   3.8482  110.200  -0.14   0.02   0.00   0.01 
1 1 1   12   14   29 o   4.1283   0.6232   2.7519  123.600  -0.18   0.21  -0.01  -0.02 
1 1 1   12   14   30 o   7.1945   0.5485   5.9658 -153.4000   0.08  -0.13   0.00  -0.00 
1 1 1   12   14   31 o   5.9149   1.3316   1.3799  111.400   0.68   0.11  -0.01  -0.01 
1 1 1   12   16    0 o   19.037   0.2309   24.976   0.0000   0.62   0.00   0.00   0.00 
1 1 1   12   16    1 o   10.615   0.9057   14.779 -39.4000  -5.99 -10.75   1.41  -2.81 
1 1 1   12   16    2 f   6.6552   0.2490   7.6532 -125.2000  -0.15   1.60   1.30  -0.16 
1 1 1   12   16    3 o   16.709   0.1559   20.704  137.000  -0.56   0.60  -1.82  -0.46 
1 1 1   12   16    4 o   15.793   0.1592   13.804 -97.4000   0.03   0.05  -0.01  -0.00 
1 1 1   12   16    5 o   11.101   0.2385   3.9209 -105.8000  -1.68  -1.68  -0.72  -1.69 
1 1 1   12   16    6 o   14.430   0.4718   13.600  142.200  -2.33  -0.32  -0.42  -0.01 
1 1 1   12   16    7 f   13.563   0.4131   11.982  101.700   3.91   2.19  -3.03  -2.34 
1 1 1   12   16    8 f   9.6399   0.2037   17.107   60.100  -0.79   1.03  -0.63   1.15 
1 1 1   12   16    9 o   20.491   0.4021   21.936 -74.3000  10.10  -1.59  -1.56   0.16 
1 1 1   12   16   10 o   15.386   0.3420   13.575   76.400  -0.13   0.00   0.03   0.01 
1 1 1   12   16   11 o   4.7040   0.4040   3.5260 -92.0000  -0.54  -0.49   0.87  -0.67 
1 1 1   12   16   12 o   27.141   0.8388   29.677 -137.5000  -5.77  -0.62  -2.79   1.85 
1 1 1   12   16   13 o   8.3980   0.8001   5.7190   92.700  11.47   7.12  -1.13  -3.30 
1 1 1   12   16   14 o   14.516   0.8331   9.7426 -24.1000  19.39   0.86  -5.76   0.65 
1 1 1   12   16   15 o   2.4703   0.6637   4.0108 -37.8000   0.99  -0.30  -0.20   0.33 
1 1 1   12   16   16 o   10.623   0.5848   10.709 -24.4000   8.96   2.80  -1.31  -1.36 
1 1 1   12   16   17 f   6.9200   0.3333   7.0640   37.000   0.89  -0.50   0.01   0.24 
1 1 1   12   16   18 o   9.1604   0.2518   5.8597  120.500  -0.66   0.37  -0.15  -0.59 
1 1 1   12   16   19 o   4.5010   0.7450   3.3460  157.100  -1.95  -2.47   0.43  -0.56 
1 1 1   12   16   20 o   10.587   0.4250   5.1412   70.000   6.61   1.76  -0.74  -0.85 
1 1 1   12   16   21 o   5.4738   0.9759   3.9543 -147.2000  -7.24  -2.33  -1.40  -0.54 
1 1 1   12   16   22 o   3.9704   0.6595   6.4898  106.800   1.90   1.46  -0.35  -0.34 
1 1 1   12   16   23 o   7.3064   0.3233   7.7178   95.400   0.23   1.07  -0.54  -0.15 
1 1 1   12   16   24 o   6.7602   0.3334   5.5300 -102.2000  -0.08  -0.75  -0.29   0.04 
1 1 1   12   16   25 o   4.9387   0.4707   3.7953 -92.6000   1.23  -0.50  -0.16  -0.02 
1 1 1   12   16   26 f   1.2604   1.0012   1.2039 -81.6000   0.28   0.31   0.05  -0.01 
1 1 1   12   16   27 o   2.2754   0.8690   2.2709   27.400   0.76  -0.15  -0.04   0.12 
1 1 1   12   16   28 o   4.3699   0.6331   6.4987  154.400  -0.57  -0.15   0.04  -0.07 
1 1 1   12   16   29 o   7.3053   2.1338   2.7496  178.000  -0.64  -0.02  -0.01   0.01 
1 1 1   12   18    0 o   25.917   0.2314   34.219  -0.0000   0.97   0.00   0.00   0.00 
1 1 1   12   18    1 o   9.7600   0.1928   10.155 -11.9000  -0.05   0.49   0.07  -0.02 
1 1 1   12   18    2 o   5.5223   1.2388   5.8080 -139.4000  -3.19   9.12   1.21   0.84 
1 1 1   12   18    3 o   6.4107   0.2613   8.3592 -13.4000   0.52   0.37   0.32  -0.51 
1 1 1   12   18    4 o   8.2276   0.2201   9.7116   20.300   0.30   0.19   0.39  -0.13 
1 1 1   12   18    5 o   7.8216   0.2480   6.7818 -165.8000  -0.44  -0.69   0.01  -0.14 
1 1 1   12   18    6 o   28.750   0.1689   26.814  141.900   0.34   0.91  -0.38   0.15 
1 1 1   12   18    7 o   8.3316   0.2335   3.4948   84.600  -2.27   0.95  -2.47   0.28 
1 1 1   12   18    8 o   14.794   0.7560   14.637 -127.8000  -5.33  -3.99  -0.44  -0.78 
1 1 1   12   18    9 o   10.194   0.9599   12.117   95.500  -1.82  15.93   3.58   0.31 
1 1 1   12   18   10 o   11.718   0.9120   14.569   19.400  10.54  -0.99  -1.36   0.47 
1 1 1   12   18   11 o   15.578   1.3796   12.124 -128.8000 -31.48 -21.05  -3.60  -6.32 
1 1 1   12   18   12 o   3.9678   0.4541   8.6897  173.800  -1.00   0.84   0.20   0.54 
1 1 1   12   18   13 o   8.4554   0.2373   9.8121 -67.6000  -4.60   0.38  -2.44  -0.96 
1 1 1   12   18   14 o   11.251   0.2014   12.715 -107.8000  -0.15   0.44  -0.03  -0.20 
1 1 1   12   18   15 o   11.075   0.2772   6.2078 -60.3000   4.92  -0.18  -1.99  -1.35 
1 1 1   12   18   16 o   18.524   0.1838   14.924 -41.4000   2.94  -0.25   0.46  -2.26 
1 1 1   12   18   17 o   9.1472   0.2741   10.239   83.800   2.34   1.72  -3.14   0.56 
1 1 1   12   18   18 o   6.6923   0.3217   8.1387   89.000   0.81   1.08  -0.54  -0.24 
1 1 1   12   18   19 o   1.9813   0.7123   5.7962 -30.0000   0.38  -0.42  -0.23   0.04 
1 1 1   12   18   20 o   6.2172   0.3689   3.3657   54.800   0.52  -0.31   0.11  -0.17 
1 1 1   12   18   21 o   5.4417   0.4514   6.6305  133.600  -1.59  -0.07  -0.13  -0.26 
1 1 1   12   18   22 o   6.7231   0.5563   6.2440  105.800  -1.11   2.89   0.65  -0.07 
1 1 1   12   18   23 o   3.6574   0.5788   3.2918 -87.8000   1.04  -1.20  -0.35   0.21 
1 1 1   12   18   24 o   2.5510   0.7133   2.7626  169.400   0.06  -0.38   0.04  -0.03 
1 1 1   12   18   25 o   8.0067   0.3581   5.3055   62.700  -0.14   1.91   0.12   0.43 
1 1 1   12   18   26 o   6.5366   0.8017   3.8747 -141.0000   0.06   0.21  -0.01   0.00 
1 1 1   12   20    0 o   7.5498   0.3297   5.0502   0.0000  -0.15   0.00   0.00   0.00 
1 1 1   12   20    1 o   9.8402   0.2654   4.7648  168.800  -1.44  -2.33  -0.02  -0.73 
1 1 1   12   20    2 o   6.1108   0.2633   1.8605 -82.1000   1.01  -0.83  -0.55   0.39 
1 1 1   12   20    3 o   3.7885   0.4029   4.5187  101.900   0.86  -0.92   0.17   0.28 
1 1 1   12   20    4 o   6.5689   0.5743   5.8229  159.600  -4.00   0.99  -0.58   0.15 
1 1 1   12   20    5 o   10.006   0.3766   8.4610 -140.5000  -2.65  -3.01   0.51  -0.87 
1 1 1   12   20    6 o   6.5591   0.2502   7.2271 -71.7000   3.40   1.05  -0.93  -2.05 
1 1 1   12   20    7 o   12.198   0.4442   14.699 -27.9000   4.13   0.52  -0.45  -0.30 
1 1 1   12   20    8 o   8.1423   0.2423   10.877   76.500   2.57   1.90  -2.32  -1.24 
1 1 1   12   20    9 o   9.3631   0.2274   10.758  107.600  -1.00   0.48  -0.59  -0.45 
1 1 1   12   20   10 o   10.656   0.2036   7.9297  125.400  -0.66  -3.07   0.54  -1.49 
1 1 1   12   20   11 o   4.2227   0.4046   5.2712 -162.9000  -0.29  -0.70   0.01  -0.10 
1 1 1   12   20   12 o   6.5867   1.0214   10.154 -157.9000  -6.53 -11.03   1.81  -1.98 
1 1 1   12   20   13 o   2.9902   0.5398   2.9289 -68.7000  -0.53  -0.18  -0.14   0.20 
1 1 1   12   20   14 o   11.154   0.3146   13.571 -64.3000   3.78  -0.98  -1.62  -1.03 
1 1 1   12   20   15 o   3.5194   0.9131   0.3072   8.1000  -0.48   1.04   0.02   0.09 
1 1 1   12   20   16 o   1.2758   0.8073   2.8434   25.900   0.06   0.23   0.01   0.07 
1 1 1   12   20   17 o   2.7669   0.6202   2.3629 -27.8000  -0.58   0.32  -0.13  -0.01 
1 1 1   12   20   18 o   5.5740   0.3709   2.4601 -172.3000   0.05  -0.65   0.03  -0.10 
1 1 1   12   20   19 f   6.4166   0.5937   3.0141 -86.6000   0.60  -0.31  -0.02   0.01 
1 1 1   12   20   20 o   3.3297   0.5440   5.4526  104.900   0.53   0.49  -0.28  -0.04 
1 1 1   12   20   21 o   6.6201   0.3593   6.1099   74.900  -0.48  -0.32  -0.10   0.05 
1 1 1   12   20   22 o   6.9582   0.5003   4.5549 -71.0000   0.48  -1.33  -0.18   0.23 
1 1 1   12   22    0 o   3.1623   0.5682   6.3528  -0.0000   0.01   0.00   0.00   0.00 
1 1 1   12   22    1 o   2.2090   0.5681   10.376   30.800   0.27   0.46   0.12  -0.03 
1 1 1   12   22    2 f   4.2106   0.3904   9.6948  134.400  -0.24  -0.38   0.12   0.04 
1 1 1   12   22    3 o   5.9100   0.2662   8.7404  162.700  -0.37  -0.07   0.08  -0.09 
1 1 1   12   22    4 o   9.3075   0.3233   9.5026 -135.2000  -0.11  -0.09  -0.00  -0.00 
1 1 1   12   22    5 o   8.3427   0.6620   6.3122 -94.5000  -4.41  -1.42  -0.49  -0.13 
1 1 1   12   22    6 o   11.504   0.2221   12.442 -18.1000   4.46   1.73   0.41  -2.49 
1 1 1   12   22    7 o   3.9597   0.7065   2.1523  121.200   3.80   1.73  -0.88  -0.45 
1 1 1   12   22    8 o   4.7152   0.5662   4.4020  160.500  -3.00   0.11  -0.52  -0.22 
1 1 1   12   22    9 o   6.3121   0.2790   5.9272 -94.0000  -1.48  -1.79  -1.01  -0.68 
1 1 1   12   22   10 o   4.9347   0.3397   6.5132   85.500   0.17   0.40  -0.11  -0.04 
1 1 1   12   22   11 o   4.2138   0.4492   2.3462   61.000  -0.76   0.47  -0.10   0.03 
1 1 1   12   22   12 o   7.3627   0.2771   4.8098 -146.1000  -0.47  -1.34  -0.12   0.83 
1 1 1   12   22   13 o   2.0700   0.6618   1.3114 -154.5000  -0.17  -0.19  -0.03  -0.01 
1 1 1   12   22   14 o   3.9381   0.4568   4.8774 -30.6000   0.17   0.09   0.01   0.05 
1 1 1   12   22   15 o   3.7675   0.5789   1.5582   23.500   0.69   1.26   0.02  -0.16 
1 1 1   12   22   16 o   5.3783   0.9193   1.6534  -5.3000  -1.56  -0.36  -0.12   0.01 
1 1 1   12   22   17 o   6.3339   0.6344   7.2722 -23.5000   0.91  -0.13  -0.06  -0.06 
1 1 1   12   24    0 o   0.0000   2.0976   2.8707  -0.0000  -0.02   0.00   0.00   0.00 
1 1 1   12   24    1 o   2.4477   0.6000   5.2169  134.500   0.07   0.16   0.01  -0.00 
1 1 1   12   24    2 o   4.4391   0.6184   5.6400 -109.9000   0.94  -1.35  -0.01   0.20 
1 1 1   12   24    3 o   4.7535   0.3661   5.3547 -28.9000  -0.21  -0.25   0.08   0.03 
1 1 1   12   24    4 o   7.0784   0.2533   5.5964   51.500   0.82   0.52   0.30  -0.21 
1 1 1   12   24    5 o   7.2695   0.2949   5.5173   94.200  -0.78   0.49  -0.12   0.04 
1 1 1   12   24    6 o   5.8137   0.4637   4.6586 -164.4000  -1.24   0.34  -0.14  -0.01 
1 1 1   12   24    7 o   11.827   0.2563   12.270 -143.4000  -0.20  -0.91  -0.26   0.08 
1 1 1   12   24    8 o   5.5951   0.6507   2.2249 -148.1000   0.33  -0.36  -0.05  -0.00 
1 1 1   13    1    0 o   3.2863   0.8934   2.2515  -0.0000  -0.01   0.00   0.00   0.00 
1 1 1   13    1    1 o   15.674   1.0724   15.399 -64.3000   2.68 -13.16   3.33   1.53 
1 1 1   13    1    2 o   29.045   0.6262   19.697 -158.4000  -3.40   0.25  -0.88   0.22 
1 1 1   13    1    3 o   22.288   1.0677   20.361   58.800   2.85  16.47   5.23  -1.64 
1 1 1   13    1    4 o   25.216   0.8932   16.053   11.300   7.50 -12.45   2.46   4.16 
1 1 1   13    1    5 f   24.634   0.9433   39.648 -172.2000  -1.86 -14.59   6.02  -1.23 
1 1 1   13    1    6 o   27.840   1.1970   21.068 -48.0000   9.33 -15.43   2.27   4.86 
1 1 1   13    1    7 o   19.422   0.9471   22.769   15.100   4.68  -6.23   1.05   2.69 
1 1 1   13    1    8 o   38.832   0.4805   33.378   89.200  -0.34   1.29   0.39   0.75 
1 1 1   13    1    9 o   23.914   0.7724   21.476   32.400   0.66   2.74   0.46  -0.32 
1 1 1   13    1   10 o   41.095   0.3722   24.193 -162.5000  -1.09  -2.43   1.88  -0.68 
1 1 1   13    1   11 o   22.754   0.6203   25.777  171.200  -2.02  -0.24  -0.73   0.00 
1 1 1   13    1   12 o   15.683   1.3319   16.008 -53.9000  -1.38  -8.03   2.04  -0.90 
1 1 1   13    1   13 o   27.631   0.4884   23.053 -95.8000   6.29  -2.87  -1.85   1.59 
1 1 1   13    1   14 o   11.236   0.2675   11.235   52.700  -0.60  -0.36   0.00  -1.23 
1 1 1   13    1   15 o   6.7802   0.3089   6.6382   18.100  -1.63   2.44   0.77   2.68 
1 1 1   13    1   16 o   14.707   0.7831   17.041 -138.4000  -9.72  -0.85  -4.96  -0.45 
1 1 1   13    1   17 f   3.4097   0.6009   11.303   83.800   0.78   1.22   0.20  -0.55 
1 1 1   13    1   18 o   24.804   1.2742   22.879   39.000  25.28   1.83  -6.37  -0.35 
1 1 1   13    1   19 o   4.7067   0.4644   1.2786 -114.0000  -0.52   0.09  -0.29   0.01 
1 1 1   13    1   20 o   9.4037   0.8772   15.297 -83.7000   5.93  -4.73  -0.38   1.27 
1 1 1   13    1   21 o   16.724   0.3219   22.718 -99.3000  -3.75  -1.99  -1.68  -1.14 
1 1 1   13    1   22 o   15.157   0.2201   15.438  159.400   0.22   0.87   0.69   1.12 
1 1 1   13    1   23 o   13.063   0.2502   9.8112   47.900   0.33  -0.68   0.03   0.12 
1 1 1   13    1   24 o   3.6176   1.0339   5.1899   97.800  -1.06   1.16   0.05   0.19 
1 1 1   13    1   25 o   3.8072   0.5760   6.3601  124.400   0.01   0.05  -0.01  -0.00 
1 1 1   13    1   26 o   3.3400   0.6224   2.8601   5.5000   0.06  -0.01   0.02   0.00 
1 1 1   13    1   27 o   2.6031   1.2439   1.0989 -174.4000  -0.07   0.12   0.00   0.00 
1 1 1   13    1   28 o   5.7798   0.5219   1.8136  115.200   0.50  -0.09  -0.02   0.05 
1 1 1   13    1   29 o   8.1290   0.3746   6.6270 -34.6000   1.73  -0.40   0.17   0.72 
1 1 1   13    1   30 f   4.0599   0.5777   4.2739 -51.4000   0.00  -0.34  -0.10  -0.02 
1 1 1   13    1   31 o   5.9139   0.5152   4.4733 -139.2000  -1.55   1.03   0.39   0.24 
1 1 1   13    1   32 o   2.2908   1.0848   1.4997  160.600  -0.83  -0.28  -0.01  -0.11 
1 1 1   13    1   33 o   3.0415   1.0364   1.1296  116.200   0.43   0.77   0.10   0.03 
1 1 1   13    1   34 o   0.0000   2.4992  ?   ?    0.08  -0.08  -0.00  -0.00 
1 1 1   13    1   35 o   0.0000   2.4485  ?   ?   -0.21  -0.12   0.01   0.03 
1 1 1   13    1   36 o   0.2667   1.0671   1.5994 -68.9000   0.06   0.01   0.00  -0.00 
1 1 1   13    3    0 o   19.254   0.2487   37.529 -180.0000  -0.21   0.00   0.00   0.00 
1 1 1   13    3    1 o   31.549   0.1935   29.806 -157.6000  -0.52   0.26   1.58   2.33 
1 1 1   13    3    2 o   21.146   0.9952   7.2950 -21.8000  -0.88  20.24   9.97   1.30 
1 1 1   13    3    3 o   32.050   0.4791   31.822   26.100   2.30  -1.10  -0.33   0.53 
1 1 1   13    3    4 o   44.388   2.0886   35.228 -65.3000   5.12 -36.17   6.96   2.35 
1 1 1   13    3    5 o   23.405   0.3416   24.623 -89.1000  -0.52  -0.52  -0.05  -0.18 
1 1 1   13    3    6 o   13.868   0.5155   11.204   33.400   1.70   2.83   1.93  -2.53 
1 1 1   13    3    7 o   27.781   0.8375   28.327  129.100  -2.99   1.60  -0.87   0.88 
1 1 1   13    3    8 o   41.286   0.6596   28.071   94.500   3.49   4.67   0.14  -1.34 
1 1 1   13    3    9 o   11.917   0.9789   13.912 -17.6000   0.23  -3.31   0.60   0.12 
1 1 1   13    3   10 o   18.023   0.4748   25.011  119.000  -1.69  -0.42  -0.50  -0.41 
1 1 1   13    3   11 o   21.532   0.4630   6.4515   90.100   1.42  -0.16  -0.60  -0.04 
1 1 1   13    3   12 o   21.956   0.4200   25.435 -121.8000  -0.48  -0.58  -0.02  -0.17 
1 1 1   13    3   13 o   32.501   0.1975   16.350  144.600  -0.24   0.06  -0.09  -0.06 
1 1 1   13    3   14 f   21.720   0.2665   12.237 -36.1000  -0.15  -0.73  -0.05  -2.60 
1 1 1   13    3   15 o   17.565   0.1799   19.836 -76.1000   2.67   1.44  -0.77  -1.95 
1 1 1   13    3   16 o   17.105   0.4939   8.6705 -16.2000   0.67  -9.61   2.59   0.56 
1 1 1   13    3   17 o   7.8730   0.8804   11.398  129.100 -15.98   0.23  -5.61  -0.12 
1 1 1   13    3   18 o   4.9692   0.5380   3.8931   71.400  -0.29   2.13   0.45   0.17 
1 1 1   13    3   19 o   9.1654   0.4985   11.474 -95.5000   4.62  -1.03  -1.47   0.50 
1 1 1   13    3   20 o   12.116   0.5960   7.3140  177.300  -6.01  -1.66  -1.37  -1.04 
1 1 1   13    3   21 o   15.641   0.2002   16.155 -16.9000   0.60   1.08  -0.02  -0.48 
1 1 1   13    3   22 f   3.3409   0.6052   7.7395 -42.2000   0.11  -0.05  -0.07  -0.01 
1 1 1   13    3   23 o   5.0444   0.9100   3.4991 -132.7000   3.31   0.49  -0.52  -0.23 
1 1 1   13    3   24 o   3.1651   0.6654   2.6469   44.300   0.08  -0.19   0.00   0.01 
1 1 1   13    3   25 o   8.3511   0.3220   5.1136 -151.7000  -1.11   1.10  -0.15   0.30 
1 1 1   13    3   26 o   5.3882   0.4511   2.2893 -148.3000   0.37  -0.21  -0.10   0.01 
1 1 1   13    3   27 o   3.1244   0.7321   4.3789   89.500  -0.25  -0.63   0.08  -0.02 
1 1 1   13    3   28 o   2.6801   0.8101   1.9593  159.300   0.29   0.13   0.19   0.08 
1 1 1   13    3   29 o   1.5000   1.0492   3.8092   69.300   0.10  -0.28   0.03  -0.00 
1 1 1   13    3   30 o   1.8700   1.0116   2.3314  119.800  -0.46   0.81   0.35  -0.04 
1 1 1   13    3   31 o   4.1954   0.6270   4.0329 -77.0000  -0.26   0.64  -0.03   0.07 
1 1 1   13    3   32 o   7.3133   0.4078   4.8385 -25.3000   1.71   2.23   0.63  -0.07 
1 1 1   13    3   33 f   5.2568   0.6399   4.2916  170.300   0.09  -0.82  -0.02   0.06 
1 1 1   13    3   34 o   2.0067   1.1304   2.9602   86.700  -0.56   0.40   0.08  -0.04 
1 1 1   13    3   35 o   4.7244   0.9010   1.1405   48.900  -0.34  -0.43   0.02  -0.01 
1 1 1   13    3   36 o   4.2851   2.0158   3.5607 -80.2000   0.37   0.34   0.01   0.00 
1 1 1   13    5    0 o   30.929   0.2581   25.014   0.0000  -0.17   0.00   0.00   0.00 
1 1 1   13    5    1 o   36.946   0.5236   35.529  171.100   0.09   1.33   0.36   0.08 
1 1 1   13    5    2 o   6.9160   0.6901   7.1814   47.600  -1.83  -1.16  -0.26  -0.48 
1 1 1   13    5    3 o   24.443   1.1387   30.400  147.300  -3.75   7.34   1.55   1.75 
1 1 1   13    5    4 o   31.156   0.1836   38.009  140.200   0.07   0.15   0.04   0.18 
1 1 1   13    5    5 o   25.337   2.0907   30.263 -46.0000  10.02 -19.09   2.79   3.61 
1 1 1   13    5    6 o   16.291   0.4795   13.404 -22.2000   1.87  -1.18  -0.68   0.95 
1 1 1   13    5    7 o   0.0000   1.9159  ?   ?   -0.04   0.14   0.04   0.02 
1 1 1   13    5    8 o   32.639   0.5450   30.169 -64.2000   2.99  -1.35  -0.45   0.82 
1 1 1   13    5    9 o   21.366   6.2879   21.641 -19.4000   0.00   0.00   0.00   0.00 
1 1 1   13    5   10 f   10.300   0.3969   17.709  123.200   1.38   0.39  -0.41  -0.19 
1 1 1   13    5   11 o   16.700   1.6793   17.825 -121.2000  -1.11 -30.34   7.52  -0.29 
1 1 1   13    5   12 o   24.510   0.1694   12.456  156.200  -0.16   0.04  -0.06  -0.19 
1 1 1   13    5   13 o   15.237   1.1650   17.284   86.300   9.51  18.66   3.31  -4.20 
1 1 1   13    5   14 o   31.067   0.6240   19.637 -88.2000  11.13  -4.54  -3.19   2.41 
1 1 1   13    5   15 o   18.549   0.1781   18.490  126.800  -4.11  -0.33  -3.73  -1.51 
1 1 1   13    5   16 o   12.990   0.3662   12.172   65.700   2.37   3.54   0.78  -1.34 
1 1 1   13    5   17 o   27.460   0.9048   23.397 -91.7000 -18.20  -4.29  -5.49  -1.91 
1 1 1   13    5   18 o   13.978   0.2196   10.111   82.100   1.66  -0.61  -0.42   0.63 
1 1 1   13    5   19 o   20.657   0.3101   4.1368  124.300  -4.23   0.50  -4.96  -0.99 
1 1 1   13    5   20 o   7.8128   0.7123   1.9237 -147.3000  -5.47  -3.63  -0.60  -2.39 
1 1 1   13    5   21 o   7.7247   0.4313   8.9974  -7.0000   2.21  -1.52  -0.67   0.94 
1 1 1   13    5   22 o   4.2118   0.5296   4.9864 -52.9000   0.15  -0.15  -0.26  -0.53 
1 1 1   13    5   23 o   12.372   0.4301   5.1576 -29.4000   1.58  -2.37   0.37   0.41 
1 1 1   13    5   24 o   4.3785   0.5116   5.3309 -33.2000  -0.14   0.02  -0.02  -0.04 
1 1 1   13    5   25 o   10.454   0.2455   6.2744 -174.8000   0.17  -1.60   0.34   0.34 
1 1 1   13    5   26 o   6.1222   0.4132   6.5873 -86.6000   1.56  -1.07  -0.14   0.17 
1 1 1   13    5   27 o   0.0000   2.0226  ?   ?    0.09   0.14   0.06   0.00 
1 1 1   13    5   28 o   5.1884   1.0832   3.2105 -164.9000   0.04  -0.66   0.02  -0.01 
1 1 1   13    5   29 o   2.5639   1.2016   1.7861   65.800  -0.81  -0.25  -0.04  -0.08 
1 1 1   13    5   30 o   1.1236   1.0709   1.5247  108.300  -0.05   0.26  -0.00   0.02 
1 1 1   13    5   31 o   4.5491   0.5865   3.8549 -26.3000   0.85   0.02   0.09  -0.16 
1 1 1   13    5   32 f   4.0632   0.6991   3.8030   59.400  -0.37   0.15   0.04   0.00 
1 1 1   13    5   33 o   4.9113   0.5951   2.7766  119.100  -0.76  -0.16   0.12   0.01 
1 1 1   13    5   34 o   4.2082   0.6480   1.2672   39.600   0.10   0.31  -0.04  -0.01 
1 1 1   13    5   35 o   3.0798   1.1415   1.7514  156.800  -0.05   0.25  -0.00   0.01 
1 1 1   13    7    0 o   15.659   0.4136   11.464   0.0000   0.08   0.00   0.00   0.00 
1 1 1   13    7    1 o   69.319   0.5875   72.456  161.500  -1.78   2.13   0.32   0.45 
1 1 1   13    7    2 o   19.899   0.6448   26.245 -109.8000   1.89  -2.49   0.14   1.25 
1 1 1   13    7    3 o   25.320   2.0742   26.698  148.400  -4.37   5.44   0.09   0.61 
1 1 1   13    7    4 o   34.264   1.3794   19.782   29.700   2.04  -1.94   0.04   0.30 
1 1 1   13    7    5 o   30.912   1.5959   31.449 -82.0000  -1.87  -4.04   0.33  -0.31 
1 1 1   13    7    6 o   15.777   1.1361   20.734  138.500  -6.44   3.00  -1.15   1.59 
1 1 1   13    7    7 o   17.978   0.9441   32.183 -109.3000  -3.40  -3.48  -0.07  -1.06 
1 1 1   13    7    8 o   13.218   1.4434   19.207   20.800  17.89 -27.42   4.61   9.67 
1 1 1   13    7    9 o   8.9647   0.2452   19.199   24.900   0.43  -0.02  -0.09  -0.01 
1 1 1   13    7   10 o   33.632   1.7344   35.957 -162.1000 -17.73 -37.91   7.66  -8.07 
1 1 1   13    7   11 o   13.157   1.0012   17.919   16.600   9.11   7.33  -0.60  -2.29 
1 1 1   13    7   12 o   32.168   0.7327   41.017 -26.6000   8.21   6.00  -0.70  -5.50 
1 1 1   13    7   13 f   7.4672   0.4634   10.801  160.200  -0.86   0.44  -0.06   0.09 
1 1 1   13    7   14 o   10.368   1.1771   13.931  101.400  10.22  14.12   0.98  -3.45 
1 1 1   13    7   15 o   4.8350   1.1306   8.5055  170.400  -0.62   5.25   0.82   0.23 
1 1 1   13    7   16 o   14.998   1.6970   11.737 -99.9000 -44.17 -14.21  -9.79  -6.43 
1 1 1   13    7   17 o   5.4810   0.3670   6.1848 -108.4000  -0.71   0.66   0.05   0.37 
1 1 1   13    7   18 o   10.510   0.6467   13.867   72.700  12.60  -2.11  -6.08   3.18 
1 1 1   13    7   19 o   5.3293   0.5725   4.4817   57.100  -0.17   0.24   0.00   0.01 
1 1 1   13    7   20 o   9.3607   0.2748   6.7747 -34.2000  -0.21  -0.28  -0.39   0.78 
1 1 1   13    7   21 o   5.5342   0.5034   7.4738   59.000  -0.57   0.56  -0.01   0.07 
1 1 1   13    7   22 o   9.5375   0.3784   4.9489  164.500  -4.67   0.86  -1.37   0.12 
1 1 1   13    7   23 o   9.4311   0.4230   8.4868 -119.4000   0.09   0.53   0.03  -0.03 
1 1 1   13    7   24 o   5.9977   0.6624   6.1981  111.100  -3.67   1.88  -0.37   1.17 
1 1 1   13    7   25 o   3.7250   0.5901   1.5362   58.900   0.06   0.10  -0.00  -0.00 
1 1 1   13    7   26 o   6.7657   0.7211   8.0583 -46.9000   0.47  -2.86   0.68  -0.10 
1 1 1   13    7   27 o   7.1694   0.7331   3.3774 -143.7000  -1.29   0.47  -0.03   0.15 
1 1 1   13    7   28 o   4.4562   0.5482   7.0807 -111.8000  -0.37  -0.46   0.11  -0.01 
1 1 1   13    7   29 o   3.0821   0.7360   0.3937   21.200   0.20   1.23   0.19   0.14 
1 1 1   13    7   30 o   3.7922   0.7387   1.5324  114.300   0.15   0.00  -0.00   0.00 
1 1 1   13    7   31 o   0.0000   2.1490  ?   ?   -0.20  -0.20   0.05   0.01 
1 1 1   13    7   32 o   4.6011   0.6334   4.4794   74.800   0.27   0.23   0.01   0.03 
1 1 1   13    7   33 o   5.7507   1.1109   2.0915 -13.9000   1.17   0.33  -0.01  -0.04 
1 1 1   13    7   34 o   4.3358   0.6618   2.8591  121.600  -0.18   0.23  -0.01   0.00 
1 1 1   13    7   35 f   5.6797   2.2948   3.9922  106.700  -0.52  -0.55   0.01  -0.01 
1 1 1   13    9    0 o   45.513   0.3034   41.646 -180.0000  -0.28   0.00   0.00   0.00 
1 1 1   13    9    1 o   26.564   0.8267   7.3106 -53.9000  -4.22 -10.12   4.97  -3.77 
1 1 1   13    9    2 o   46.326   0.3531   41.578 -29.0000  -1.40  -3.39   0.56  -1.19 
1 1 1   13    9    3 o   55.182   1.1195   51.367  106.500   6.29   3.53  -0.55  -2.02 
1 1 1   13    9    4 o   19.217   0.8166   13.112  113.900  -3.07   9.70   2.28   1.37 
1 1 1   13    9    5 o   53.585   0.8437   45.558 -130.1000  -4.66  -0.44  -1.59  -1.08 
1 1 1   13    9    6 o   12.387   0.2249   9.9238 -87.3000   0.18  -0.35   1.89  -0.34 
1 1 1   13    9    7 o   51.389   0.7663   42.243 -26.3000   8.49   2.72  -2.14  -2.65 
1 1 1   13    9    8 o   10.878   0.2374   6.1152   21.400   0.89   0.12  -0.71  -0.01 
1 1 1   13    9    9 o   38.130   0.3848   44.200  162.500   0.28   2.92   1.16  -0.74 
1 1 1   13    9   10 o   21.458   0.1760   16.884   76.400   0.02   0.36   0.27   0.52 
1 1 1   13    9   11 o   39.252   0.5689   42.277 -37.7000   0.42  -6.42   2.24  -0.45 
1 1 1   13    9   12 o   20.092   0.2139   14.547  158.600  -1.42   3.49   4.31   1.70 
1 1 1   13    9   13 o   13.860   1.0867   17.708   53.900  18.62   9.62  -3.55  -4.44 
1 1 1   13    9   14 o   20.201   0.3921   22.891 -73.3000   3.11   1.33  -0.43  -0.67 
1 1 1   13    9   15 f   24.032   0.8187   25.421  145.900  -6.89   1.46  -1.08   0.69 
1 1 1   13    9   16 o   12.698   0.3748   8.1513   53.900  -0.73   1.33   0.07   0.22 
1 1 1   13    9   17 o   10.647   0.2137   10.575 -56.6000  -0.41  -0.36  -0.53  -0.22 
1 1 1   13    9   18 o   9.4614   0.2385   6.3474 -26.0000   0.47   0.10   0.04  -0.63 
1 1 1   13    9   19 o   5.9583   0.3970   9.4943 -47.2000   0.71   0.51   0.16  -0.62 
1 1 1   13    9   20 o   4.8365   0.5575   3.4787   25.400   2.13   0.89  -0.66  -0.35 
1 1 1   13    9   21 o   3.9747   0.5350   6.4680  108.600  -0.16   0.49  -1.20  -0.78 
1 1 1   13    9   22 o   10.032   0.7429   9.8331  158.100  -2.47   1.54  -0.07   0.35 
1 1 1   13    9   23 o   0.0000   1.8841  ?   ?    0.16  -0.24  -0.32   0.12 
1 1 1   13    9   24 o   8.3605   0.3835   7.3674   76.500  -0.69   1.36   0.03   0.12 
1 1 1   13    9   25 o   4.4046   0.5502   0.8139 -150.7000  -1.12   1.04  -0.36   0.38 
1 1 1   13    9   26 o   3.1075   1.1883   6.1404 -110.8000   0.70  -1.18   0.00   0.19 
1 1 1   13    9   27 o   3.7286   0.6146   3.5273 -128.3000  -1.01   0.10  -0.08   0.26 
1 1 1   13    9   28 o   1.9697   0.9083   3.6706 -56.6000   0.38  -0.33   0.10   0.01 
1 1 1   13    9   29 o   0.0000   2.1993  ?   ?    0.08   0.23   0.00   0.03 
1 1 1   13    9   30 o   0.0000   2.1673  ?   ?   -0.09   0.26   0.02  -0.05 
1 1 1   13    9   31 o   2.8787   0.7932   1.9971 -40.1000   0.11  -0.30  -0.01  -0.03 
1 1 1   13    9   32 f   4.7518   0.8507   1.0248  126.000   0.54  -1.02   0.08   0.02 
1 1 1   13    9   33 o   3.3606   1.3105   3.3207  -0.4000  -0.05   0.05  -0.00   0.00 
1 1 1   13   11    0 o   8.5907   0.3520   1.1578  -0.0000  -0.09   0.00   0.00   0.00 
1 1 1   13   11    1 o   32.279   0.7961   39.332 -33.9000   4.47  -7.07   0.89   1.40 
1 1 1   13   11    2 o   31.757   0.9416   34.661 -88.7000 -15.19  -9.58  -2.87  -4.73 
1 1 1   13   11    3 o   22.675   0.2097   17.667  113.300  -1.53   1.48   0.37   1.35 
1 1 1   13   11    4 o   13.468   0.1948   10.647  141.500  -1.39  -0.30  -1.65  -2.55 
1 1 1   13   11    5 o   13.881   0.5688   12.329  133.700  -6.47   0.64  -2.08   0.20 
1 1 1   13   11    6 f   14.050   0.5584   12.540 -37.6000  -3.73  -3.11  -0.26  -0.94 
1 1 1   13   11    7 o   18.940   0.8642   18.575 -73.2000  20.93 -10.13  -7.05   7.46 
1 1 1   13   11    8 f   15.135   0.5818   9.1958 -28.5000   5.89  -0.11  -1.78   0.28 
1 1 1   13   11    9 o   21.115   0.4718   17.682   28.800  -1.35  15.48  10.22   3.50 
1 1 1   13   11   10 o   22.475   0.1627   20.365   61.900   3.31   0.54  -2.04  -1.77 
1 1 1   13   11   11 o   11.763   0.2646   13.867  146.400  -6.14  -5.24   0.01  -7.99 
1 1 1   13   11   12 o   12.733   0.3095   15.666  137.000  -3.08  -1.86  -0.32  -1.44 
1 1 1   13   11   13 o   18.613   0.1847   25.937 -76.0000   0.96  -0.41  -1.09  -1.68 
1 1 1   13   11   14 o   13.755   0.5591   13.450 -142.5000  -2.82   2.46   0.06   0.77 
1 1 1   13   11   15 o   32.770   0.1985   30.628  115.300   0.35   2.60  -2.59  -3.09 
1 1 1   13   11   16 o   13.930   0.2348   12.594 -22.8000   0.55  -0.81   0.39   0.22 
1 1 1   13   11   17 o   20.835   0.6926   19.295 -61.6000  26.38  -3.46 -11.14   0.19 
1 1 1   13   11   18 o   4.7896   0.4798   3.9690 -54.2000   0.50   1.15   0.22  -0.12 
1 1 1   13   11   19 o   8.3793   0.8101   15.410 -21.9000   7.87  -3.10  -1.30   1.76 
1 1 1   13   11   20 o   10.217   0.2340   1.4946 -60.4000  -0.64   0.17   0.25  -1.00 
1 1 1   13   11   21 o   9.8046   0.2547   10.650  121.800  -0.31  -0.59  -0.58  -0.06 
1 1 1   13   11   22 o   5.5508   0.4407   2.8718  104.500  -0.20  -0.50  -0.25  -0.22 
1 1 1   13   11   23 o   3.0779   0.6503   1.0954   42.000   0.14   0.32  -0.30   0.14 
1 1 1   13   11   24 f   9.9519   0.2564   6.5815  101.200  -1.09   1.02  -1.07  -0.50 
1 1 1   13   11   25 o   8.3091   0.5354   5.7676 -160.3000  -0.40  -6.19   1.42   0.46 
1 1 1   13   11   26 o   3.9273   0.5998   5.6183 -52.6000   1.39  -0.63  -0.28   0.02 
1 1 1   13   11   27 o   3.3153   0.6747   1.7327  122.500   0.33  -0.80   0.16  -0.15 
1 1 1   13   11   28 o   5.6312   0.4925   3.2796  174.300  -0.17   0.35  -0.02  -0.04 
1 1 1   13   11   29 o   1.0878   1.0433   2.8062 -58.7000  -0.12   0.10   0.01   0.00 
1 1 1   13   11   30 o   2.6377   1.2242   2.2929 -154.1000   0.03  -0.23   0.01  -0.01 
1 1 1   13   11   31 o   3.3395   1.5142   1.0850 -168.1000   0.09  -0.07   0.00   0.00 
1 1 1   13   11   32 o   4.4099   0.9708   3.7301   50.700   0.05   0.56  -0.00   0.04 
1 1 1   13   13    0 f   16.245   0.2426   13.030  -0.0000   0.29   0.00   0.00   0.00 
1 1 1   13   13    1 o   5.5514   0.3409   6.6203 -173.4000   1.09  -0.41  -0.34   0.42 
1 1 1   13   13    2 o   22.244   0.1646   20.335 -170.2000  -0.37   1.01   1.94  -0.89 
1 1 1   13   13    3 f   10.857   0.6112   5.9814  142.000  -3.61   4.95   0.44   1.10 
1 1 1   13   13    4 o   15.915   0.3638   12.220 -55.0000  -2.37  -1.91  -0.17  -0.47 
1 1 1   13   13    5 o   7.1945   0.2786   4.9351  173.900  -0.11   0.11   0.00   0.01 
1 1 1   13   13    6 o   18.646   0.3772   19.970   37.600   1.70   2.23  -0.01  -0.57 
1 1 1   13   13    7 o   10.105   0.2352   18.389 -90.2000   1.24  -0.49  -0.58   0.23 
1 1 1   13   13    8 o   20.850   0.7518   13.394 -177.3000   1.35  -8.26   2.55   0.21 
1 1 1   13   13    9 o   3.6859   0.4582   8.6689   2.9000   0.05  -0.18   0.16  -0.05 
1 1 1   13   13   10 o   4.2661   0.7842   4.5687 -81.8000  -0.14   5.54   1.66  -0.05 
1 1 1   13   13   11 o   8.3618   0.4698   12.347   51.700   4.14  -2.44  -0.73   2.34 
1 1 1   13   13   12 o   6.7416   1.0923   8.3865 -18.8000   9.98   7.12  -0.72  -2.72 
1 1 1   13   13   13 o   6.3236   0.4173   3.9582  101.800  -1.98   2.07   0.40   1.11 
1 1 1   13   13   14 o   19.275   0.1760   20.637  130.500  -4.27   1.45  -6.11  -2.76 
1 1 1   13   13   15 o   6.3598   0.7071   4.3658  140.200  -3.87  -3.00  -0.07  -1.05 
1 1 1   13   13   16 f   14.788   0.2416   16.155 -88.9000   2.68  -1.47  -0.88   0.48 
1 1 1   13   13   17 o   2.9151   0.6000   7.9468 -101.6000  -1.49  -0.76  -0.61  -0.36 
1 1 1   13   13   18 o   6.9656   0.3386   10.339 -21.6000   0.49   0.23  -0.18   0.03 
1 1 1   13   13   19 o   5.6846   0.3993   3.3775 -75.6000   0.23   0.16   0.11   0.16 
1 1 1   13   13   20 f   6.9641   0.3441   1.9388   80.300   1.74  -0.52  -1.40  -0.63 
1 1 1   13   13   21 f   3.8958   0.5431   5.1459   35.300   0.21  -0.02   0.05   0.03 
1 1 1   13   13   22 o   6.0812   0.9312   4.5486  104.700  -8.00   2.98  -1.58   0.73 
1 1 1   13   13   23 f   0.0000   1.8553  ?   ?   -0.24  -0.09   0.05  -0.09 
1 1 1   13   13   24 o   0.5406   0.8925   2.9312  131.900  -0.82   0.03  -0.09   0.33 
1 1 1   13   13   25 o   3.3080   0.6298   1.1332 -14.7000   0.04   0.47   0.02   0.02 
1 1 1   13   13   26 o   3.5588   0.6135   3.9872 -54.6000   1.17  -0.37   0.01   0.21 
1 1 1   13   13   27 f   6.1120   0.3910   5.4514  179.100  -0.89   0.18   0.16   0.13 
1 1 1   13   13   28 o   2.6803   0.9438   3.0978 -99.3000   0.11  -0.59   0.01   0.06 
1 1 1   13   13   29 o   5.1828   0.5612   2.8453 -65.4000  -0.07  -0.48  -0.02  -0.05 
1 1 1   13   13   30 o   7.5698   0.6398   5.8859   77.900   0.19   0.59  -0.04   0.01 
1 1 1   13   15    0 o   16.223   0.2519   15.478 -180.0000  -0.15   0.00   0.00   0.00 
1 1 1   13   15    1 o   16.323   0.3580   19.058  144.200   4.09   5.94   0.27  -4.60 
1 1 1   13   15    2 o   8.9795   0.2636   9.8530   26.100   0.44   0.47   0.05  -0.12 
1 1 1   13   15    3 o   12.043   0.3340   19.436 -34.7000   4.92   0.69  -4.28  -3.23 
1 1 1   13   15    4 o   12.298   0.3374   16.327   77.800   0.05   1.00   0.28   0.10 
1 1 1   13   15    5 o   3.5227   0.4728   1.4794  129.400   0.13   0.57  -0.21  -1.43 
1 1 1   13   15    6 o   3.4590   0.4662   6.1901  170.700  -1.32  -0.48  -0.39  -0.69 
1 1 1   13   15    7 f   9.6848   1.0114   9.5097 -138.1000 -16.24  -8.65  -2.85  -3.39 
1 1 1   13   15    8 o   10.249   0.6639   12.380 -102.8000   8.86  -6.47  -1.10   2.28 
1 1 1   13   15    9 o   11.527   0.1864   17.037  110.300  -2.17   1.02  -3.66  -0.08 
1 1 1   13   15   10 o   13.366   0.7768   13.415 -96.6000  -1.89 -10.77   2.25  -1.33 
1 1 1   13   15   11 o   11.077   0.5933   10.099 -168.9000  -3.32  -4.64   0.10  -2.05 
1 1 1   13   15   12 o   18.279   0.1789   14.658   50.100  -1.44  -0.31  -0.13  -0.24 
1 1 1   13   15   13 o   12.384   0.7929   10.082 -14.1000   6.61   5.85  -0.51  -1.46 
1 1 1   13   15   14 f   1.5421   0.8108   5.3134  152.900  -0.27  -0.20  -0.00  -0.02 
1 1 1   13   15   15 o   6.3490   0.8139   2.6117 -77.8000   1.51  -3.91   0.32   0.42 
1 1 1   13   15   16 o   4.4871   0.4501   2.2110  101.700  -0.11   0.16  -0.09  -0.01 
1 1 1   13   15   17 o   6.5046   0.3369   7.5450 -164.5000  -0.02  -0.08  -0.00   0.01 
1 1 1   13   15   18 f   5.1189   0.4384   3.4460 -136.0000   0.10  -0.44  -0.01   0.09 
1 1 1   13   15   19 o   5.8199   0.7432   6.2099 -13.4000   3.43   3.22   0.13  -0.61 
1 1 1   13   15   20 o   7.2856   0.3173   3.9535 -73.5000   0.45  -0.02  -0.02  -0.02 
1 1 1   13   15   21 o   2.9830   0.7136   2.9585   83.000   1.63   0.33  -0.35   0.08 
1 1 1   13   15   22 o   3.1970   0.7797   3.1616 -49.5000  -0.34  -0.49  -0.01  -0.04 
1 1 1   13   15   23 f   5.6016   0.3870   5.1202 -104.6000   1.51  -1.55  -0.79   0.31 
1 1 1   13   15   24 f   4.3139   0.4809   5.0018   72.800   0.29   0.58   0.07   0.14 
1 1 1   13   15   25 o   3.0094   0.9146   1.7245   91.300  -2.11   0.85  -0.54  -0.02 
1 1 1   13   15   26 o   1.7672   0.9597   2.1871 -169.5000  -0.36   0.69   0.14  -0.05 
1 1 1   13   15   27 o   4.6545   1.3769   2.4331 -93.1000   3.18  -1.18  -0.37   0.13 
1 1 1   13   15   28 o   5.2100   0.6268   2.3826 -71.7000   0.37  -0.03   0.01  -0.03 
1 1 1   13   17    0 o   13.259   0.2589   10.467  180.000  -0.28   0.00   0.00   0.00 
1 1 1   13   17    1 f   10.268   0.4819   12.685  102.200  -1.19   3.64   0.62   0.77 
1 1 1   13   17    2 f   10.942   0.7861   12.660   55.000  -1.43  11.76   2.62   1.18 
1 1 1   13   17    3 f   12.219   0.1916   7.8755  179.000  -1.11   0.42   0.12   0.66 
1 1 1   13   17    4 o   10.118   0.7467   14.311  179.500  -5.09  -8.07   1.68  -2.18 
1 1 1   13   17    5 o   8.8483   0.3931   12.597 -77.5000  -1.18  -1.01   0.08  -0.31 
1 1 1   13   17    6 o   14.183   0.3383   17.239 -30.3000   1.55   0.25  -0.25  -0.65 
1 1 1   13   17    7 o   6.7579   0.7026   5.4847 -45.9000   5.37  -0.80  -0.95   0.12 
1 1 1   13   17    8 o   11.686   0.5369   7.7063   56.700   2.29   3.54   0.10  -0.63 
1 1 1   13   17    9 o   7.8561   0.2383   5.2133 -162.4000   1.62  -0.49   0.32   2.51 
1 1 1   13   17   10 o   13.276   0.9757   13.297 -138.3000 -17.79   2.19  -2.90   1.24 
1 1 1   13   17   11 o   6.2968   0.6295   9.7749   77.800   1.78   2.37   0.03  -0.39 
1 1 1   13   17   12 o   7.6931   0.4236   6.7172   19.400   4.61  -2.97   0.37   3.17 
1 1 1   13   17   13 o   6.7895   0.2940   6.8649 -169.0000   0.48  -1.15  -1.89   0.37 
1 1 1   13   17   14 o   7.6331   0.2911   6.6100   40.300   0.11  -0.65  -0.51  -0.03 
1 1 1   13   17   15 o   5.9870   0.3694   4.3836   14.000   0.48   0.83  -0.82  -0.04 
1 1 1   13   17   16 o   17.357   0.1781   14.948  131.700  -5.42   0.94  -2.22  -5.07 
1 1 1   13   17   17 o   7.3283   0.4144   6.2827 -59.6000   1.47  -1.30  -0.18   0.19 
1 1 1   13   17   18 o   4.2208   0.6274   5.6991 -101.2000  -2.56  -0.52  -0.52   0.12 
1 1 1   13   17   19 o   5.8766   0.3838   4.6790   86.200   0.57   0.29  -0.07   0.02 
1 1 1   13   17   20 o   4.6483   0.7523   1.4875 -159.6000  -0.98   0.76  -0.07   0.06 
1 1 1   13   17   21 o   3.5924   0.5489   3.2969 -120.2000   0.71  -0.31  -0.13  -0.09 
1 1 1   13   17   22 o   6.9826   0.3658   7.5156 -76.1000   0.59  -1.37  -0.07  -0.56 
1 1 1   13   17   23 o   2.1444   0.8226   4.2920  170.500   0.49   0.08  -0.06   0.10 
1 1 1   13   17   24 o   3.5586   0.9850   2.0806  124.900  -1.58  -0.36  -0.11  -0.16 
1 1 1   13   17   25 o   7.5163   0.4983   3.6544 -90.3000  -0.73  -0.67   0.15   0.05 
1 1 1   13   19    0 o   3.1464   0.6255   6.7241 -180.0000   0.14   0.00   0.00   0.00 
1 1 1   13   19    1 f   4.2913   0.3613   3.5030 -51.4000  -0.11   0.33  -0.10   0.14 
1 1 1   13   19    2 o   5.9213   0.9038   4.6685 -142.0000  -8.10  -0.46  -1.30  -0.39 
1 1 1   13   19    3 o   2.5219   0.5252   0.4383 -156.9000  -0.67   0.25   0.12   0.54 
1 1 1   13   19    4 f   5.4003   0.6805   4.6580 -55.7000   2.59   1.10  -0.18  -0.36 
1 1 1   13   19    5 o   13.798   0.7911   10.676   29.200   1.55  10.28   2.02   0.01 
1 1 1   13   19    6 o   9.8376   0.3776   6.1654   63.600   2.94   8.59   1.38  -1.98 
1 1 1   13   19    7 o   13.772   0.5151   14.336  161.500  -4.32   0.08  -0.75  -0.39 
1 1 1   13   19    8 o   8.8203   0.2246   11.649 -71.3000  -0.21  -0.95  -1.15   0.02 
1 1 1   13   19    9 f   9.0786   0.2267   10.050 -107.2000  -1.05   0.06   0.47   0.77 
1 1 1   13   19   10 o   6.0366   0.2902   3.8571   45.500   0.71   0.17  -0.13   0.10 
1 1 1   13   19   11 o   3.0793   0.6397   1.0002 -104.2000  -0.07   1.04   0.14   0.17 
1 1 1   13   19   12 f   5.0910   0.7855   5.1085   75.400   2.32   2.75   0.25  -0.41 
1 1 1   13   19   13 o   7.1698   0.8605   8.0604 -28.2000   6.48  -1.48  -0.89   0.11 
1 1 1   13   19   14 o   6.9668   0.4184   7.0641  126.900  -1.53   1.03  -0.36   0.11 
1 1 1   13   19   15 o   7.3626   0.8608   8.9230   59.100   7.33   3.75  -0.90  -0.61 
1 1 1   13   19   16 o   3.2316   0.5215   5.0814 -96.7000  -0.53   0.60   0.11   0.06 
1 1 1   13   19   17 f   2.8100   0.6797   4.0308 -75.2000  -0.91  -0.74  -0.23  -0.09 
1 1 1   13   19   18 o   6.0957   0.3466   1.9689   49.100  -0.33   0.26   0.03  -0.07 
1 1 1   13   19   19 o   6.2810   0.3733   8.4310  118.700   0.01   0.86  -0.48  -0.08 
1 1 1   13   19   20 f   5.7793   0.4050   1.4584   12.600  -0.89  -0.43  -0.18   0.05 
1 1 1   13   19   21 o   5.5223   0.5760   6.5780 -124.2000   0.16  -0.52  -0.10  -0.03 
1 1 1   13   21    0 f   1.3038   0.9545   3.2317  180.000  -0.00   0.00   0.00   0.00 
1 1 1   13   21    1 o   3.5301   0.4098   3.6049 -88.7000  -0.21  -0.41   0.04  -0.01 
1 1 1   13   21    2 o   3.9056   0.3677   3.6523 -56.9000   0.31   0.24   0.00   0.22 
1 1 1   13   21    3 o   7.3186   0.2478   10.639 -19.0000   1.29  -0.05   0.44  -0.88 
1 1 1   13   21    4 o   2.8690   0.4897   4.2447   52.500  -0.07  -0.05  -0.00   0.00 
1 1 1   13   21    5 o   3.7352   0.4244   7.0146  117.700   0.56   1.32  -0.11  -0.54 
1 1 1   13   21    6 o   6.2709   0.2806   8.1423 -178.2000  -1.46  -0.51   0.25  -0.59 
1 1 1   13   21    7 o   6.2091   0.3306   3.0184 -136.9000  -0.80  -1.36  -0.25  -0.41 
1 1 1   13   21    8 o   8.0203   0.8931   9.1919 -30.7000   9.07  -2.64  -1.20   0.29 
1 1 1   13   21    9 o   7.8935   0.2862   8.7250  112.400   1.87   1.28  -0.74  -0.07 
1 1 1   13   21   10 o   5.0988   0.3741   3.1347  142.300  -0.36   0.89  -0.16   0.20 
1 1 1   13   21   11 o   11.863   0.5739   9.1215 -97.3000   3.60  -5.71  -0.32   1.26 
1 1 1   13   21   12 o   3.0149   0.5735   3.7805 -12.1000   0.31   0.59   0.11   0.02 
1 1 1   13   21   13 o   5.6079   0.3530   5.0899   0.3000   0.38   0.12   0.04   0.13 
1 1 1   13   21   14 o   5.2114   0.3577   5.0194  172.500  -0.08  -0.27   0.02   0.01 
1 1 1   13   21   15 o   3.8934   0.5029   2.6249   19.900   0.70   0.20  -0.00  -0.13 
1 1 1   13   21   16 o   4.0565   1.1879   0.8532   6.0000  -0.52   0.23  -0.00   0.02 
1 1 1   13   21   17 o   5.6274   1.1188   7.5737  163.700  -0.45   0.60  -0.03  -0.02 
1 1 1   13   23    0 o   5.2154   0.4486   5.9745  180.000  -0.01   0.00   0.00   0.00 
1 1 1   13   23    1 o   4.1473   0.3914   9.4718 -69.0000   0.18  -0.11   0.01  -0.06 
1 1 1   13   23    2 o   3.0412   0.4876   3.3042   12.600   0.76  -0.38   0.05   0.24 
1 1 1   13   23    3 o   5.5393   0.3157   6.7921  118.600  -0.18  -0.08  -0.00  -0.00 
1 1 1   13   23    4 o   4.5191   0.3600   4.6798 -164.3000  -0.39  -1.06   0.41   0.14 
1 1 1   13   23    5 f   8.3410   0.6507   5.8185 -34.2000   2.42  -2.16   0.13   0.34 
1 1 1   13   23    6 o   6.0445   0.4005   5.0619 -61.3000  -0.40  -0.50  -0.05  -0.05 
1 1 1   13   23    7 o   11.510   0.3143   10.682   29.100  -0.56  -0.14  -0.01   0.06 
1 1 1   13   23    8 o   10.382   0.3467   6.5790   31.600   0.51   0.48  -0.04   0.10 
1 1 1   14    0    0 o   31.079   0.5221   22.086 -180.0000   0.09   0.00   0.00   0.00 
1 1 1   14    0    1 o   16.793   0.6143   2.6935   90.000   0.00   0.02   0.00   0.00 
1 1 1   14    0    2 o   21.649   0.6151   14.186   0.0000  -0.06   0.00   0.00   0.00 
1 1 1   14    0    3 o   36.273   0.5231   22.170 -90.0000   0.00   0.03   0.00   0.00 
1 1 1   14    0    4 o   60.951   0.8542   27.669   0.0000  -0.03   0.00   0.00   0.00 
1 1 1   14    0    5 o   30.491   0.4810   12.225   90.000  -0.00  -0.03   0.00   0.00 
1 1 1   14    0    6 o   20.943   0.3082   33.676  180.000   0.11   0.00   0.00   0.00 
1 1 1   14    0    7 o   9.1978   0.4206   20.477   90.000  -0.00  -0.02   0.00   0.00 
1 1 1   14    0    8 o   6.7305   0.5160   12.106  180.000  -0.13   0.00   0.00   0.00 
1 1 1   14    0    9 o   16.489   0.2479   23.629 -90.0000  -0.00  -0.10   0.00   0.00 
1 1 1   14    0   10 o   0.0000   2.4495   5.4575   0.0000   0.03   0.00   0.00   0.00 
1 1 1   14    0   11 o   0.0000   2.6458   0.8276   90.000   0.00   0.00   0.00   0.00 
1 1 1   14    0   12 o   4.0743   0.6937   5.9802  180.000  -0.04   0.00   0.00   0.00 
1 1 1   14    0   13 o   1.4142   1.0454   3.4897   90.000   0.00   0.03   0.00   0.00 
1 1 1   14    0   14 o   7.4766   0.4234   10.609   0.0000   0.16   0.00   0.00   0.00 
1 1 1   14    0   15 o   9.2628   0.3932   2.1782 -90.0000  -0.00  -0.12   0.00   0.00 
1 1 1   14    0   16 f   11.411   0.3320   13.440   0.0000  -0.22   0.00   0.00   0.00 
1 1 1   14    0   17 o   4.7539   0.5775   3.5201 -90.0000  -0.00  -0.06   0.00   0.00 
1 1 1   14    0   18 f   5.3385   0.6323   7.3989  180.000  -0.11   0.00   0.00   0.00 
1 1 1   14    0   19 o   7.7653   0.5124   0.7750 -90.0000   0.00   0.05   0.00   0.00 
1 1 1   14    0   20 o   27.262   0.2814   14.023  180.000   1.10   0.00   0.00   0.00 
1 1 1   14    0   21 o   19.945   0.3013   14.550   90.000  -0.00  -0.01   0.00   0.00 
1 1 1   14    0   22 o   14.866   0.2773   9.1660   0.0000  -0.44   0.00   0.00   0.00 
1 1 1   14    0   23 o   8.8034   0.4171   2.0768   90.000   0.00   0.17   0.00   0.00 
1 1 1   14    0   24 o   8.7407   0.4612   6.0780  -0.0000   0.37   0.00   0.00   0.00 
1 1 1   14    0   25 o   14.100   0.3054   8.6294 -90.0000  -0.00  -0.29   0.00   0.00 
1 1 1   14    0   26 f   10.728   0.3823   4.8481  180.000  -0.62   0.00   0.00   0.00 
1 1 1   14    0   27 o   2.5884   1.1193   0.8787   90.000   0.00   0.19   0.00   0.00 
1 1 1   14    0   28 o   5.7619   0.6371   5.9962   0.0000   0.22   0.00   0.00   0.00 
1 1 1   14    0   29 o   0.0000   2.7203   1.9699   90.000  -0.00  -0.14   0.00   0.00 
1 1 1   14    0   30 f   2.8284   1.1208   0.1914  180.000  -0.08   0.00   0.00   0.00 
1 1 1   14    0   31 o   0.0000   3.5917   1.5899   90.000   0.00   0.00   0.00   0.00 
1 1 1   14    0   32 o   0.0000   3.8079   3.1524  180.000   0.03   0.00   0.00   0.00 
1 1 1   14    0   33 o   2.1679   2.2280   0.1911   90.000   0.00   0.13   0.00   0.00 
1 1 1   14    0   34 o   0.0000   4.8166   0.9774   0.0000   0.03   0.00   0.00   0.00 
1 1 1   14    2    0 o   45.317   0.6600   9.1734  -0.0000   0.12   0.00   0.00   0.00 
1 1 1   14    2    1 o   38.755   1.5832   14.783   2.0000  -1.18  -2.67   0.09  -0.14 
1 1 1   14    2    2 f   41.385   0.3886   12.503 -24.2000  -0.03  -0.33   0.03   0.18 
1 1 1   14    2    3 f   24.965   2.9941   6.9406  108.500   7.44   6.44  -0.16  -0.74 
1 1 1   14    2    4 o   27.736   1.6660   12.381   75.100   3.31  -4.73   0.22   0.46 
1 1 1   14    2    5 o   9.6198   1.2210   7.6651 -126.7000  -3.12  -4.75   0.36  -0.95 
1 1 1   14    2    6 o   0.0000   1.9873  ?   ?    0.00   0.00   0.00   0.00 
1 1 1   14    2    7 o   16.777   0.1970   7.0819 -45.6000  -0.99   1.27   0.31   0.64 
1 1 1   14    2    8 o   18.893   0.2643   20.252 -147.8000  -1.90   1.60   0.00   0.91 
1 1 1   14    2    9 o   6.8243   0.6273   10.133  151.700  -1.30  -1.28  -0.02  -0.24 
1 1 1   14    2   10 o   16.649   0.3135   15.893 -32.9000   1.77   1.35  -0.08  -0.86 
1 1 1   14    2   11 o   8.9547   0.9638   5.0344 -89.6000  -5.52  -7.47   0.65  -1.86 
1 1 1   14    2   12 o   3.6094   0.4985   2.9790 -148.5000   0.31  -1.01   0.41   0.22 
1 1 1   14    2   13 o   16.640   1.0182   13.540 -43.1000   5.03 -11.19   1.63   1.65 
1 1 1   14    2   14 o   10.633   0.4538   11.431   89.300   1.49   2.34   0.21  -0.68 
1 1 1   14    2   15 o   7.1123   0.6049   3.3051  128.000  -0.90   0.83   0.00   0.13 
1 1 1   14    2   16 o   10.026   0.2365   11.404   40.300  -0.25  -0.08  -0.02  -0.03 
1 1 1   14    2   17 o   7.7109   0.3129   6.9827 -58.7000   0.04  -0.04  -0.04  -0.07 
1 1 1   14    2   18 o   5.9800   0.4108   7.5881 -142.1000  -0.43  -0.92   0.32  -0.18 
1 1 1   14    2   19 o   7.7893   0.8175   8.8484   99.700  -3.41   1.68  -0.24   0.41 
1 1 1   14    2   20 o   4.4171   0.5008   4.7014 -136.6000  -0.63  -0.55  -0.21  -0.34 
1 1 1   14    2   21 o   13.145   0.2407   9.1056   95.100   0.04   0.61   0.05  -0.23 
1 1 1   14    2   22 o   9.9633   0.2869   9.5344   53.900   0.63  -0.45   0.42   0.29 
1 1 1   14    2   23 o   4.1413   1.3195   3.0662   27.900  -2.18   2.72   0.03   0.56 
1 1 1   14    2   24 f   8.4862   0.3186   2.6377 -89.8000  -0.27   0.36   0.17  -0.09 
1 1 1   14    2   25 o   1.8362   0.8639   1.3316 -134.6000  -0.53   0.18  -0.01   0.22 
1 1 1   14    2   26 o   2.8553   0.6947   2.7839 -64.9000   0.20  -0.01  -0.01   0.03 
1 1 1   14    2   27 o   7.7952   0.4994   6.9649 -116.1000   1.91  -1.75   0.23   0.37 
1 1 1   14    2   28 o   2.4281   1.1324   2.5909  125.900  -0.56   0.43   0.08   0.10 
1 1 1   14    2   29 o   1.8422   0.9402   3.6726  103.500  -0.39   0.45   0.10   0.03 
1 1 1   14    2   30 o   6.0059   0.5312   4.2674   3.5000   1.48  -0.85   0.09   0.18 
1 1 1   14    2   31 f   3.9729   0.8575   2.4295   70.400   0.57   0.13   0.03  -0.03 
1 1 1   14    2   32 o   2.1744   1.0186   1.2115 -145.5000  -0.08  -0.12   0.00   0.00 
1 1 1   14    2   33 o   2.9800   1.0991   2.7091 -41.8000  -0.10  -0.17  -0.00   0.01 
1 1 1   14    2   34 o   2.9377   1.7316   2.5165 -134.1000  -0.16  -0.18  -0.00  -0.00 
1 1 1   14    4    0 o   0.0000   2.8107   2.5284  -0.0000   0.01   0.00   0.00   0.00 
1 1 1   14    4    1 o   12.823   0.5609   20.309  131.800   0.42   1.54   0.25  -0.12 
1 1 1   14    4    2 o   10.726   1.2254   14.424 -147.8000  -3.31  -6.06   0.74  -1.05 
1 1 1   14    4    3 o   22.199   0.4629   20.407 -139.3000  -1.47  -0.52  -0.18  -0.22 
1 1 1   14    4    4 o   20.800   0.2080   12.665 -35.3000   1.00   1.02   0.17  -0.59 
1 1 1   14    4    5 f   15.294   0.9649   11.604   5.4000   6.50  -2.81  -0.56   0.54 
1 1 1   14    4    6 o   19.705   0.2472   5.4540 -36.9000   1.48   1.09  -0.97  -1.34 
1 1 1   14    4    7 o   20.914   0.9128   10.325 -11.0000   3.86 -15.70   3.66   1.64 
1 1 1   14    4    8 o   8.4644   0.2468   5.8615 -18.0000  -0.19  -0.01  -0.32   0.23 
1 1 1   14    4    9 o   12.461   1.9083   13.319 -118.1000   4.53 -37.13   7.56   2.05 
1 1 1   14    4   10 f   7.9849   0.2770   5.1698  147.000  -0.63  -0.47  -0.28  -0.49 
1 1 1   14    4   11 o   30.438   1.0446   16.137  118.700   1.32   9.74   2.85  -0.39 
1 1 1   14    4   12 o   19.571   0.3270   12.918 -26.4000   2.13   0.06  -1.12  -0.49 
1 1 1   14    4   13 o   10.024   0.9701   2.0383 -155.4000  -9.78  -9.60   0.09  -3.06 
1 1 1   14    4   14 o   16.480   0.1862   13.203   97.300   0.18   0.66  -4.54   1.41 
1 1 1   14    4   15 o   10.636   0.7291   12.281 -60.5000  -6.14  -9.53   1.67  -4.85 
1 1 1   14    4   16 o   6.0309   0.3298   11.724 -143.2000  -0.71  -0.56  -0.01  -0.33 
1 1 1   14    4   17 o   11.583   0.5521   11.748   32.400   3.21   1.71  -0.67  -0.63 
1 1 1   14    4   18 o   1.4007   0.9251   5.2197 -65.4000   0.87  -0.70  -0.10   0.27 
1 1 1   14    4   19 o   3.3448   0.6390   1.8398 -44.4000   0.44  -1.33   0.45   0.65 
1 1 1   14    4   20 o   1.7059   0.8942   7.1590 -38.8000  -0.09  -0.44   0.11  -0.10 
1 1 1   14    4   21 o   12.023   0.5500   11.972  129.200  -0.69   5.10   1.40   1.04 
1 1 1   14    4   22 o   9.7841   0.2912   10.487  115.000  -0.31   0.17  -0.07  -0.00 
1 1 1   14    4   23 o   5.6728   0.4269   6.2464  167.000  -0.21  -0.02   0.14   0.04 
1 1 1   14    4   24 o   3.9724   0.5756   2.2963   63.400   0.15  -0.15  -0.01   0.01 
1 1 1   14    4   25 o   1.6481   0.9432   5.2466   7.7000   0.24  -0.31   0.15   0.03 
1 1 1   14    4   26 o   1.5581   0.9011   2.9250 -94.4000   0.06   0.12   0.01   0.02 
1 1 1   14    4   27 o   1.3445   1.0315   0.5815 -147.7000  -0.20   0.35   0.10  -0.05 
1 1 1   14    4   28 o   6.8604   0.4023   6.3976   50.700  -1.13  -0.52   0.19  -0.27 
1 1 1   14    4   29 o   2.3218   0.8132   5.3652 -85.5000   0.02  -0.32   0.00  -0.03 
1 1 1   14    4   30 f   0.0000   2.0069  ?   ?    0.12  -0.31   0.03  -0.00 
1 1 1   14    4   31 o   4.8645   0.5821   3.7828  116.300  -0.02  -0.26   0.00   0.01 
1 1 1   14    4   32 o   3.7290   1.7667   4.9333 -130.7000   0.58  -0.84  -0.01   0.05 
1 1 1   14    4   33 o   2.3578   1.0187   2.0027   20.500   0.03   0.17  -0.01  -0.00 
1 1 1   14    4   34 o   0.0000   2.9833  ?   ?    0.21   0.02   0.00   0.00 
1 1 1   14    6    0 o   19.406   0.2317   3.9764  180.000   0.02   0.00   0.00   0.00 
1 1 1   14    6    1 o   7.7132   0.7027   11.024   20.200   0.61   2.03   0.16  -0.12 
1 1 1   14    6    2 o   6.3004   0.3694   8.9061 -48.1000   0.52   0.96   0.18  -0.23 
1 1 1   14    6    3 o   15.703   0.2590   6.2893 -118.4000  -1.09  -0.46  -0.13  -0.10 
1 1 1   14    6    4 o   3.9279   0.5053   14.939  150.300  -0.16  -0.15   0.30  -0.55 
1 1 1   14    6    5 o   0.0000   1.8147  ?   ?   -0.04  -0.16   0.06  -0.05 
1 1 1   14    6    6 o   14.235   0.6153   15.306 -66.4000   3.81  -2.75  -0.29   1.22 
1 1 1   14    6    7 o   38.946   0.3958   34.093   15.900   1.55  -0.18  -0.52   0.54 
1 1 1   14    6    8 f   11.675   1.0511   14.270 -48.7000   7.65 -10.44   0.67   2.43 
1 1 1   14    6    9 o   13.449   0.2007   20.550  161.700  -0.71  -2.30   2.27  -0.89 
1 1 1   14    6   10 o   22.641   1.1553   21.438   56.200  12.22  19.99   4.13  -6.50 
1 1 1   14    6   11 o   13.285   0.5938   12.563 -160.3000  -8.15  -0.91  -1.80  -0.25 
1 1 1   14    6   12 o   25.806   0.1677   21.650  135.900   4.64  10.34   2.54  -4.21 
1 1 1   14    6   13 o   20.081   0.1794   23.666   18.600   2.36  -2.09   0.39   1.83 
1 1 1   14    6   14 o   19.526   0.8771   20.059 -89.5000  -2.97  -8.04   0.75  -0.78 
1 1 1   14    6   15 o   6.3998   0.3395   6.9336 -99.2000  -0.53  -0.12  -0.24   0.01 
1 1 1   14    6   16 f   9.8905   0.8888   7.6684   62.800   8.25   1.73  -1.91  -0.58 
1 1 1   14    6   17 o   11.831   0.3016   9.2091  130.700  -2.12   1.06  -0.52   0.38 
1 1 1   14    6   18 o   5.5424   0.3916   4.1150 -47.3000  -0.41  -0.11  -0.42   0.19 
1 1 1   14    6   19 o   2.6010   1.2215   1.7261 -146.1000  -0.29   1.05   0.17   0.06 
1 1 1   14    6   20 o   8.5391   0.3185   9.8352 -139.7000   0.10  -0.13   0.04  -0.04 
1 1 1   14    6   21 o   3.0095   0.6463   4.5394 -129.3000   0.12  -0.21   0.00   0.03 
1 1 1   14    6   22 o   7.3942   0.3237   1.2939  131.500  -0.19  -0.50  -0.32   0.77 
1 1 1   14    6   23 o   1.8699   0.8054   3.9774 -11.9000   0.13  -0.04   0.08  -0.00 
1 1 1   14    6   24 o   4.2039   1.3202   3.8587   16.100   3.44  -2.71  -0.02   0.76 
1 1 1   14    6   25 o   3.6961   1.2837   1.1617  116.400  -0.44  -0.35  -0.01  -0.02 
1 1 1   14    6   26 o   2.9577   0.9186   3.8994 -161.3000   0.12  -1.33   0.15   0.13 
1 1 1   14    6   27 o   5.9181   0.5950   4.6773   45.600   0.89   0.26  -0.09   0.03 
1 1 1   14    6   28 o   7.5134   0.3843   7.5378   64.000   0.35   0.56   0.06   0.07 
1 1 1   14    6   29 o   3.1439   0.6869   2.6956 -78.3000  -0.03  -0.66   0.03   0.04 
1 1 1   14    6   30 f   3.8560   1.2190   2.4373   58.700  -0.26   0.69   0.04  -0.00 
1 1 1   14    6   31 o   3.1131   0.7520   3.9537  155.000   0.06  -0.09  -0.00  -0.00 
1 1 1   14    6   32 o   4.3301   0.6878   4.6036 -106.8000   0.16   0.34   0.02   0.02 
1 1 1   14    6   33 o   3.9367   1.3037   2.3034   90.900   0.14   0.33  -0.00   0.01 
1 1 1   14    8    0 o   24.817   0.2572   40.152  -0.0000   0.00   0.00   0.00   0.00 
1 1 1   14    8    1 o   19.045   0.2438   29.186   5.8000  -1.58  -8.00   8.86  -5.74 
1 1 1   14    8    2 o   21.686   0.6363   24.279  141.600  -0.54   2.34   0.25   0.16 
1 1 1   14    8    3 o   15.931   1.2988   14.367 -112.1000 -13.68 -12.13  -0.28  -3.59 
1 1 1   14    8    4 o   17.713   0.2301   15.953 -128.5000  -0.72  -0.90   0.30  -0.53 
1 1 1   14    8    5 o   18.031   0.6652   16.241  115.500   8.45   4.54  -1.43  -2.62 
1 1 1   14    8    6 o   25.955   0.1696   20.044   37.000  -0.26  -0.17   0.36   0.11 
1 1 1   14    8    7 o   16.014   0.7948   21.935   35.900  13.12   4.05  -3.69  -2.08 
1 1 1   14    8    8 f   20.424   0.5004   17.270 -137.7000   1.38  -6.91   2.18   0.54 
1 1 1   14    8    9 o   9.3482   0.2638   7.8080 -37.9000   0.89  -0.86  -0.07   0.31 
1 1 1   14    8   10 o   12.324   0.5885   15.187 -45.6000   4.32  -4.53  -0.08   1.58 
1 1 1   14    8   11 o   34.920   0.1942   29.906  164.400  -0.76  -0.60   0.05  -0.16 
1 1 1   14    8   12 o   24.616   0.4088   20.376   56.700   0.16   2.00   0.37   0.05 
1 1 1   14    8   13 o   5.9550   0.4682   13.227 -86.4000  -3.33  -1.00  -1.54  -0.62 
1 1 1   14    8   14 o   12.409   0.2080   17.077  161.700  -0.83  -0.36   0.40  -1.13 
1 1 1   14    8   15 o   19.690   0.3361   19.415   21.500   2.22  -1.64   0.21   1.03 
1 1 1   14    8   16 f   8.8312   0.4633   11.493 -86.0000   0.60  -2.10   0.56   0.18 
1 1 1   14    8   17 o   5.4463   0.8788   5.2083  153.100  -3.82   0.45  -0.59   0.04 
1 1 1   14    8   18 o   6.2925   0.3573   3.0459  122.500   0.31   0.14  -0.01  -0.03 
1 1 1   14    8   19 o   2.1101   0.7909   6.4513  165.900  -0.20   0.34   0.33  -0.02 
1 1 1   14    8   20 o   0.3376   0.7742   6.8610  175.900   0.06  -0.64   0.11   0.05 
1 1 1   14    8   21 o   5.9658   0.5105   2.3571 -135.8000  -2.04  -1.50  -0.68  -0.68 
1 1 1   14    8   22 o   3.5171   0.6018   5.7892   10.900   0.13  -0.01   0.04  -0.01 
1 1 1   14    8   23 o   2.0382   0.8473   4.6837 -48.0000   0.30   0.18  -0.17   0.10 
1 1 1   14    8   24 f   2.4285   0.7554   5.5008 -79.2000  -0.06  -0.05   0.00   0.01 
1 1 1   14    8   25 f   2.1525   0.8587   1.9025   2.5000  -0.88  -0.15  -0.22   0.12 
1 1 1   14    8   26 o   3.5221   1.3529   1.0840 -121.0000   0.51  -0.85   0.06   0.05 
1 1 1   14    8   27 o   6.2463   0.4007   5.1841   46.900   1.51   0.24  -0.01   0.62 
1 1 1   14    8   28 o   1.7437   0.7992   4.0924  112.500  -0.23   0.23   0.02  -0.09 
1 1 1   14    8   29 o   2.6938   0.7397   3.6726 -146.2000  -0.38  -0.45   0.07   0.12 
1 1 1   14    8   30 o   4.0843   0.6006   2.5011   40.000  -0.20  -0.29  -0.02  -0.00 
1 1 1   14    8   31 o   4.0088   0.8978   2.6835  150.900   0.76   0.22  -0.06   0.05 
1 1 1   14    8   32 o   0.0000   2.9246  ?   ?    0.10  -0.01   0.00  -0.00 
1 1 1   14   10    0 o   9.2195   0.3699   10.444   0.0000   0.19   0.00   0.00   0.00 
1 1 1   14   10    1 o   16.781   0.1717   12.202  136.600  -0.21  -0.55   0.08  -0.21 
1 1 1   14   10    2 o   12.741   0.5333   8.1641  135.300   5.48   7.61   0.77  -3.31 
1 1 1   14   10    3 o   10.828   0.2627   17.015 -16.4000   0.12   1.32   0.55   0.03 
1 1 1   14   10    4 o   2.9107   0.6227   10.280   69.900  -0.42  -0.18  -0.41  -0.19 
1 1 1   14   10    5 o   16.171   0.6486   9.6743  142.000  -5.95   0.62  -1.00   0.32 
1 1 1   14   10    6 o   12.716   0.5507   7.1011   29.200   4.85   2.14  -0.91  -0.81 
1 1 1   14   10    7 o   13.982   0.3115   14.183   82.800   8.11  -0.37  -7.40   2.09 
1 1 1   14   10    8 o   15.423   0.4277   13.498 -178.5000  -4.33  -5.38   0.20  -3.36 
1 1 1   14   10    9 o   11.277   0.9628   7.2707 -95.9000   3.69 -13.98   3.11   2.22 
1 1 1   14   10   10 o   6.9741   0.3225   3.1786 -50.4000   2.74   1.76  -1.21  -1.55 
1 1 1   14   10   11 o   12.923   1.1224   11.110 -131.6000 -11.11 -18.20   1.86  -4.58 
1 1 1   14   10   12 o   7.3917   0.2815   13.020 -107.4000  -0.02  -0.35  -1.11   0.72 
1 1 1   14   10   13 o   13.688   0.1861   13.785  104.300   0.02   0.69   0.19  -0.70 
1 1 1   14   10   14 o   7.3394   0.3122   13.753   40.900   0.12   0.14  -0.14   0.27 
1 1 1   14   10   15 o   14.239   0.4266   14.802 -56.2000   4.50   0.90  -1.03  -1.01 
1 1 1   14   10   16 o   3.3422   0.6130   5.2584 -127.9000   0.16  -0.07  -0.04  -0.01 
1 1 1   14   10   17 o   8.5300   1.0175   8.1193  159.600 -12.03   1.75  -2.11   0.33 
1 1 1   14   10   18 o   6.6113   0.3752   5.4665  100.100   0.36   0.10  -0.12   0.17 
1 1 1   14   10   19 o   10.128   0.2342   4.6492   49.500  -0.71   0.82   0.17   0.17 
1 1 1   14   10   20 o   9.4481   0.2603   4.5683  157.300   0.37  -0.49  -0.21   0.11 
1 1 1   14   10   21 o   1.7865   0.8035   3.2357   84.400  -0.01   0.01   0.00  -0.00 
1 1 1   14   10   22 o   3.8446   0.6428   5.7478 -45.2000   0.61   1.04  -0.00  -0.16 
1 1 1   14   10   23 o   6.0028   1.0472   5.3837 -153.9000  -3.16   1.33  -0.14   0.29 
1 1 1   14   10   24 f   3.3401   0.6357   1.0451 -41.4000   0.13  -0.33  -0.11  -0.06 
1 1 1   14   10   25 o   4.9788   0.9272   5.4783   0.0000   0.61  -2.84   0.35  -0.04 
1 1 1   14   10   26 o   2.1126   0.8154   0.9002   67.300   0.53   0.07  -0.04   0.08 
1 1 1   14   10   27 o   3.5819   0.8243   1.5546 -87.4000  -0.97   0.05  -0.07  -0.06 
1 1 1   14   10   28 o   3.9953   0.6580   2.5257 -81.8000  -0.69  -0.20  -0.04   0.04 
1 1 1   14   10   29 o   2.9525   0.8124   2.6358 -148.3000   0.15  -0.28  -0.02   0.00 
1 1 1   14   10   30 o   2.8603   0.7506   3.9934   99.800   0.30   0.33  -0.08   0.02 
1 1 1   14   10   31 o   3.8958   0.8536   1.1388   45.100  -0.06   0.41   0.01  -0.02 
1 1 1   14   12    0 o   10.602   0.2667   14.279 -180.0000  -0.44   0.00   0.00   0.00 
1 1 1   14   12    1 o   13.060   0.9511   8.2515  -6.2000   4.13  -0.17  -0.30  -0.01 
1 1 1   14   12    2 o   24.483   0.8297   25.009   30.900   5.59  11.41   2.72  -2.22 
1 1 1   14   12    3 o   16.800   0.1898   18.273   0.6000   1.04  -1.33   1.79   0.77 
1 1 1   14   12    4 o   17.705   0.4816   13.433 -172.8000  -1.51  -3.19   0.50  -0.37 
1 1 1   14   12    5 f   6.3887   0.3113   11.129   74.200  -0.58  -1.09   0.28  -0.24 
1 1 1   14   12    6 o   17.099   0.3191   16.128 -112.5000  -0.53  -1.31   0.12  -0.34 
1 1 1   14   12    7 o   23.046   0.1740   23.969  158.400  -0.22  -0.25   0.09   0.01 
1 1 1   14   12    8 o   24.345   0.1734   24.261   40.900  -0.12   0.14  -0.02  -0.04 
1 1 1   14   12    9 o   18.089   0.7089   7.9403 -25.3000   6.10   1.86  -1.19  -0.47 
1 1 1   14   12   10 o   16.667   0.1686   11.965  136.400   0.09   0.46   0.04   0.23 
1 1 1   14   12   11 o   12.168   0.6976   8.2804  175.100  -9.37  -2.27  -2.57  -0.70 
1 1 1   14   12   12 o   13.783   0.6746   10.184 -126.8000  -7.83  -4.66  -0.49  -1.61 
1 1 1   14   12   13 o   3.3453   0.6073   3.9019 -130.5000  -0.50   0.52  -0.01   0.07 
1 1 1   14   12   14 o   5.6561   1.0750   12.241 -48.1000   6.56  -1.39  -1.14   0.33 
1 1 1   14   12   15 o   14.865   0.1895   17.863 -92.4000  -1.52  -0.54  -1.03   0.50 
1 1 1   14   12   16 o   5.7580   0.3930   8.0790  111.800   0.23  -0.61   0.19  -0.02 
1 1 1   14   12   17 o   8.7638   0.4333   11.003   89.400  -7.02   2.41  -3.02   0.96 
1 1 1   14   12   18 o   5.7332   0.4471   1.4839   81.000  -0.59   1.69   0.15   0.26 
1 1 1   14   12   19 o   7.0944   0.3477   3.8467   31.000  -0.58  -0.68  -0.54   0.16 
1 1 1   14   12   20 o   5.0438   0.5064   0.5926 -96.2000  -2.51  -1.72   0.09  -0.74 
1 1 1   14   12   21 o   2.6772   0.7368   2.0720 -26.5000  -0.30   0.04  -0.02  -0.05 
1 1 1   14   12   22 o   2.1458   0.7843   2.6518 -41.1000   0.26  -0.30  -0.14  -0.02 
1 1 1   14   12   23 o   3.6241   0.5648   4.5024  158.100  -0.28  -0.26  -0.05   0.01 
1 1 1   14   12   24 f   4.8636   0.4811   0.4656 -108.2000   0.02   0.59  -0.01   0.10 
1 1 1   14   12   25 o   2.1478   0.7580   1.6830 -55.1000   0.08  -0.01   0.00   0.00 
1 1 1   14   12   26 o   3.8410   0.5626   2.9092  175.900  -0.18  -0.58   0.04   0.08 
1 1 1   14   12   27 o   5.1724   0.5152   5.9354 -28.1000   1.00   0.08  -0.02  -0.08 
1 1 1   14   12   28 o   3.6131   0.6129   2.5367   49.300   0.18   0.73   0.08   0.04 
1 1 1   14   12   29 o   4.5267   0.6287   5.2293  132.300  -0.67   0.55  -0.13  -0.02 
1 1 1   14   14    0 o   23.137   0.2438   23.248   0.0000  -0.43   0.00   0.00   0.00 
1 1 1   14   14    1 o   13.534   0.7986   12.775   14.500   7.34  15.44   5.44  -4.50 
1 1 1   14   14    2 o   11.522   0.2072   11.640  118.200   0.18   0.04  -0.02   0.05 
1 1 1   14   14    3 o   7.2523   0.6268   5.4244  132.200  -4.82  -1.53  -1.21  -1.40 
1 1 1   14   14    4 o   23.836   0.1618   21.468 -136.6000  -1.81   0.39  -0.11   0.16 
1 1 1   14   14    5 o   7.9073   0.3547   8.7876 -115.9000  -4.95  -2.37  -1.70  -1.28 
1 1 1   14   14    6 o   14.016   0.4365   13.469 -29.8000   4.20   0.67  -1.97  -2.54 
1 1 1   14   14    7 o   4.8024   0.5730   5.0273  140.000  -4.95  -2.11  -1.27  -2.04 
1 1 1   14   14    8 o   11.539   0.2138   13.134   55.800   0.20   1.31  -3.76   2.38 
1 1 1   14   14    9 o   7.1391   1.0564   5.1019 -41.4000  13.72   4.74  -1.90  -1.79 
1 1 1   14   14   10 o   9.8924   0.5018   11.815  146.400  -0.62   5.34   2.30  -0.22 
1 1 1   14   14   11 o   11.245   0.3318   10.611   14.900   2.63   1.18  -1.03  -0.34 
1 1 1   14   14   12 o   8.6032   0.2710   4.3788 -33.6000   0.35  -0.03   0.26  -0.03 
1 1 1   14   14   13 o   10.362   0.2348   7.9073 -164.3000  -0.65  -0.26  -0.15   0.02 
1 1 1   14   14   14 o   3.8675   0.4810   3.5922 -86.6000  -0.49  -0.30  -0.30  -0.01 
1 1 1   14   14   15 f   6.6110   0.3319   7.7338 -166.2000   0.09  -0.16  -0.04  -0.06 
1 1 1   14   14   16 o   2.3238   0.7092   3.8513  123.900   0.02   0.06  -0.01  -0.00 
1 1 1   14   14   17 o   6.5007   0.3469   10.776   11.900   0.47   0.21  -0.06   0.01 
1 1 1   14   14   18 o   3.3625   1.1717   7.5308 -32.4000  -0.84  -0.86  -0.02  -0.08 
1 1 1   14   14   19 o   3.9898   0.5187   4.2056  145.200  -0.07   0.15  -0.02  -0.02 
1 1 1   14   14   20 o   5.3954   0.4222   5.6013  110.000  -0.56   1.01  -0.45   0.10 
1 1 1   14   14   21 o   0.1712   0.6077   2.6346 -123.7000  -0.26  -0.18  -0.03  -0.01 
1 1 1   14   14   22 o   1.2740   0.8916   3.2668  150.600  -0.04  -0.22   0.01   0.02 
1 1 1   14   14   23 f   4.5441   0.4705   5.0306   75.100  -0.27   0.42  -0.07  -0.08 
1 1 1   14   14   24 f   4.4168   0.4810   4.5109 -98.5000  -0.35   0.37   0.05  -0.01 
1 1 1   14   14   25 o   1.2912   0.8910   2.0482 -104.2000  -0.17  -0.29  -0.12   0.01 
1 1 1   14   14   26 o   3.6161   0.5912   1.4909 -19.4000  -0.04  -0.58  -0.10  -0.14 
1 1 1   14   14   27 o   5.2211   0.7177   3.2598   65.400   0.70   0.61  -0.07   0.15 
1 1 1   14   16    0 o   12.996   0.2528   8.3023 -180.0000  -0.15   0.00   0.00   0.00 
1 1 1   14   16    1 o   5.9104   0.5009   3.7147  169.700  -0.31  -3.00   0.97   0.12 
1 1 1   14   16    2 o   17.744   0.6669   20.352 -105.1000   0.57  -4.32   1.00   1.14 
1 1 1   14   16    3 o   4.5481   0.9791   6.7931 -124.5000   2.20  -2.91   0.15   0.34 
1 1 1   14   16    4 o   7.5524   1.0317   11.046   1.5000   6.37   8.56   1.17  -2.29 
1 1 1   14   16    5 o   1.9422   0.6203   5.9959   79.000  -0.81  -0.15  -0.21  -0.01 
1 1 1   14   16    6 f   6.2941   0.5749   3.3102  135.200  -2.81  -0.49  -0.69  -0.63 
1 1 1   14   16    7 o   7.2019   0.8389   5.9547 -173.7000  -5.27  -0.87  -0.73  -0.42 
1 1 1   14   16    8 o   2.6825   0.5965   1.8826 -28.4000  -1.42  -0.94  -0.27  -0.32 
1 1 1   14   16    9 o   2.0691   0.9746   8.9919 -21.5000   1.90  -0.65  -0.27   0.16 
1 1 1   14   16   10 o   4.6908   0.3919   8.2140  107.800   1.08   1.63  -1.21  -1.54 
1 1 1   14   16   11 o   11.854   0.2150   7.3146 -16.3000  -0.23   1.81   0.19   0.48 
1 1 1   14   16   12 o   4.2027   0.4646   4.1047 -89.1000  -0.01  -0.34  -0.13  -0.09 
1 1 1   14   16   13 o   3.3880   0.5708   1.5199   82.900  -0.81   0.19  -0.11  -0.01 
1 1 1   14   16   14 o   3.7040   0.5471   1.6227 -163.8000   0.05  -0.18  -0.01   0.02 
1 1 1   14   16   15 o   8.7619   0.2401   8.2073  155.400  -0.56  -0.45   0.07   0.30 
1 1 1   14   16   16 o   5.8918   0.3668   8.8722 -51.3000   1.10  -0.89  -0.64  -0.21 
1 1 1   14   16   17 o   3.1674   0.6049   3.4418   9.5000   0.54  -0.17  -0.06  -0.02 
1 1 1   14   16   18 f   2.7206   0.6571   4.6612   70.000   0.24   0.59  -0.25   0.17 
1 1 1   14   16   19 f   4.0432   0.5037   3.8430 -149.2000   0.52   0.00   0.09   0.08 
1 1 1   14   16   20 f   4.2893   0.5893   1.7420 -55.9000  -0.46   0.11  -0.00   0.02 
1 1 1   14   16   21 o   3.6471   0.6161   1.4719 -123.0000  -0.61  -0.32   0.08  -0.05 
1 1 1   14   16   22 o   4.3710   0.7858   7.2564  107.800   0.84   0.40  -0.05  -0.02 
1 1 1   14   16   23 o   6.0364   0.4298   5.9830   27.700   0.12   0.24  -0.03   0.00 
1 1 1   14   16   24 o   5.8182   0.8151   5.2044 -73.3000  -1.34   0.11  -0.05   0.08 
1 1 1   14   18    0 o   1.0000   1.0050   1.7689 -180.0000  -0.24   0.00   0.00   0.00 
1 1 1   14   18    1 o   5.4968   0.7703   6.9454  163.700  -1.37   2.59   0.15   0.14 
1 1 1   14   18    2 o   4.6480   0.5047   3.0769   68.200   1.58   1.65   0.32  -0.56 
1 1 1   14   18    3 o   6.7966   0.4339   3.7337 -161.3000  -0.76   1.58  -0.15   0.80 
1 1 1   14   18    4 o   5.5121   0.3234   4.1894   20.400  -0.04   0.06  -0.00  -0.01 
1 1 1   14   18    5 o   8.8418   0.9057   6.2569 -129.5000  -0.39  -6.36   1.08   0.19 
1 1 1   14   18    6 o   8.5768   0.3697   5.6361 -123.4000  -3.22  -5.46   0.21  -1.04 
1 1 1   14   18    7 o   9.8565   0.7043   8.6661   1.3000   9.34   2.13  -2.05  -2.13 
1 1 1   14   18    8 o   5.3081   0.3313   7.2443  127.900  -1.63   0.18  -0.49  -0.61 
1 1 1   14   18    9 o   3.8248   0.5849   5.3272   58.900  -1.32   1.18  -0.18   0.24 
1 1 1   14   18   10 o   7.2516   0.3041   5.0792 -117.7000   0.10  -0.23  -0.00   0.01 
1 1 1   14   18   11 o   7.9685   0.2582   5.1522   0.5000  -0.56  -0.07   0.18   0.04 
1 1 1   14   18   12 o   7.6524   0.2994   7.8930 -32.2000  -0.67   0.16  -0.00   0.06 
1 1 1   14   18   13 o   8.6813   0.2555   10.660  139.000  -0.47   1.53  -1.07  -0.27 
1 1 1   14   18   14 o   6.0921   0.3371   2.8068   70.100   0.33   0.14  -0.01   0.00 
1 1 1   14   18   15 f   7.5417   0.6735   11.154 -105.5000  -5.87  -3.37  -1.03  -0.56 
1 1 1   14   18   16 o   4.3063   0.4849   4.0561  111.100   0.50  -0.39  -0.10  -0.04 
1 1 1   14   18   17 o   5.0272   0.4547   6.3149  104.900  -0.50   0.82  -0.26  -0.15 
1 1 1   14   18   18 o   3.3802   0.5615   1.3085 -146.6000   0.22   0.05  -0.00   0.04 
1 1 1   14   18   19 o   5.2549   0.4274   7.7214 -77.6000  -1.35  -0.84  -0.48   0.02 
1 1 1   14   18   20 o   7.4987   0.4351   6.0534 -100.4000  -0.19  -0.15   0.01  -0.00 
1 1 1   14   18   21 o   6.8484   0.6482   7.3757   63.800  -0.31   1.17  -0.10   0.10 
1 1 1   14   20    0 o   8.8769   0.2942   5.7185  180.000  -0.03   0.00   0.00   0.00 
1 1 1   14   20    1 o   4.5725   0.3842   5.4832   96.400   0.02   0.26  -0.05  -0.02 
1 1 1   14   20    2 o   4.6251   0.3765   5.4354   30.100  -0.24  -0.22  -0.03   0.09 
1 1 1   14   20    3 o   4.9802   0.3506   7.2609 -144.3000  -1.19  -0.78   0.37  -0.36 
1 1 1   14   20    4 o   3.9992   0.4485   1.7675   53.500   0.11   0.21  -0.02  -0.01 
1 1 1   14   20    5 o   4.2949   0.6147   6.9263 -37.4000   3.44   0.79  -0.47  -0.85 
1 1 1   14   20    6 o   4.2258   0.4096   4.3549 -98.2000   0.44  -0.54   0.15  -0.29 
1 1 1   14   20    7 o   4.0110   0.5807   5.8357   77.500   1.89   1.67  -0.29  -0.34 
1 1 1   14   20    8 o   6.6485   0.2915   6.1658  151.600   0.79   1.24  -0.39  -0.25 
1 1 1   14   20    9 o   9.7914   0.3759   9.9176 -65.3000  -2.78  -4.62  -0.48  -1.25 
1 1 1   14   20   10 o   7.2714   0.4251   7.2960 -39.3000   1.24  -1.94  -0.24   0.40 
1 1 1   14   20   11 o   10.917   0.2119   7.3015   80.500  -0.92   1.56  -0.04  -0.74 
1 1 1   14   20   12 o   4.1993   0.4413   5.6679   95.900   0.25   0.28  -0.08  -0.00 
1 1 1   14   20   13 o   4.9447   0.4145   5.5553  139.600  -0.24   0.70  -0.23   0.17 
1 1 1   14   20   14 o   2.5288   0.7377   1.5772 -43.4000   0.46   0.01  -0.04  -0.05 
1 1 1   14   20   15 o   4.0653   0.7308   4.8593 -158.6000   0.29  -0.61  -0.03   0.06 
1 1 1   14   20   16 o   6.0507   0.6297   5.7510  130.900  -0.69   0.47  -0.08  -0.05 
1 1 1   14   22    0 o   5.7359   0.4512   6.3719   0.0000   0.04   0.00   0.00   0.00 
1 1 1   14   22    1 o   3.5188   0.4340   3.3271  108.400  -0.44  -0.39   0.22  -0.05 
1 1 1   14   22    2 o   4.7809   0.9874   3.5848  119.600  -0.99   1.22   0.05   0.08 
1 1 1   14   22    3 o   5.6067   0.3321   2.1218  176.500   0.29   0.48  -0.09  -0.07 
1 1 1   14   22    4 o   3.7336   0.4799   5.9848   21.000   0.48  -0.28   0.20   0.06 
1 1 1   14   22    5 o   6.1391   0.5066   2.2811 -113.1000  -0.32  -0.54  -0.11  -0.00 
1 1 1   14   22    6 o   7.0812   0.8706   8.8868  145.800   1.44   2.73   0.02  -0.31 
1 1 1   14   22    7 o   5.3744   0.6296   1.1136 -143.9000  -0.07  -0.47   0.00  -0.03 
1 1 1   14   22    8 o   7.8422   2.0450   7.6735 -106.7000   0.23  -0.88   0.00   0.00 
1 1 1   15    1    0 o   21.364   0.2658   16.420 -180.0000  -0.04   0.00   0.00   0.00 
1 1 1   15    1    1 o   7.6052   0.3267   11.057 -59.8000  -0.04  -0.50   0.72   0.21 
1 1 1   15    1    2 o   5.3878   0.8156   4.8120   1.6000   1.49   0.29  -0.12  -0.04 
1 1 1   15    1    3 o   2.0308   0.9646   6.4778 -61.3000  -0.46  -0.68   0.04  -0.13 
1 1 1   15    1    4 o   3.0992   0.6427   10.084 -131.6000   0.94  -0.40  -0.30   0.26 
1 1 1   15    1    5 o   19.731   0.1893   17.977   83.000   1.29   0.60  -1.80  -0.65 
1 1 1   15    1    6 o   9.9405   0.7215   15.982   12.500   5.47  -3.17  -0.61   1.20 
1 1 1   15    1    7 o   15.813   0.4147   12.286 -126.8000  -4.29   0.77  -1.17   0.66 
1 1 1   15    1    8 o   6.7632   0.3564   2.5108 -176.1000  -0.43  -1.40   0.57  -0.61 
1 1 1   15    1    9 o   12.000   0.2006   6.6520   47.800   0.03  -0.37   0.15  -0.06 
1 1 1   15    1   10 o   5.5638   0.6807   3.9617   65.300   0.62   2.32   0.27  -0.19 
1 1 1   15    1   11 o   17.226   0.2822   12.323  125.500  -1.61   0.78  -0.50   0.34 
1 1 1   15    1   12 o   11.938   0.7418   6.7599  160.700  -0.80   5.54   0.97   0.19 
1 1 1   15    1   13 o   10.494   0.2330   9.7428   15.000   0.98   0.07  -0.24  -0.10 
1 1 1   15    1   14 o   8.5281   0.2996   6.8859 -112.2000   0.03  -0.08  -0.05   0.00 
1 1 1   15    1   15 f   7.1747   0.8630   4.6055  177.400  -1.55  -4.28   0.52  -0.34 
1 1 1   15    1   16 o   1.2573   0.9294   6.5728 -136.7000  -0.62   0.40  -0.09   0.13 
1 1 1   15    1   17 o   7.4127   0.4844   1.9257 -101.3000  -1.64  -1.95  -0.04  -0.67 
1 1 1   15    1   18 o   1.3344   0.9980   5.8425  -3.7000   0.97   0.64  -0.04  -0.35 
1 1 1   15    1   19 o   2.5306   0.6957   2.3451 -86.5000  -0.23   0.13  -0.03   0.02 
1 1 1   15    1   20 o   8.7630   0.2944   11.181   54.400   0.71   1.33  -0.02  -0.50 
1 1 1   15    1   21 o   3.9643   0.5503   1.0767 -173.6000   1.03   0.57  -0.27  -0.12 
1 1 1   15    1   22 o   6.4642   0.3654   3.4686 -146.8000  -0.35  -0.25   0.11  -0.07 
1 1 1   15    1   23 o   5.7598   0.4215   2.3699 -167.3000  -0.12  -0.48  -0.35  -0.03 
1 1 1   15    1   24 o   0.0000   1.8706  ?   ?   -0.02  -0.04  -0.00   0.01 
1 1 1   15    1   25 f   2.1206   0.7853   1.7438 -13.0000  -0.16   0.27  -0.01   0.02 
1 1 1   15    1   26 o   4.0832   0.9864   2.8352  120.100  -0.16   0.70   0.02   0.02 
1 1 1   15    1   27 o   2.1585   0.8235   3.6998   56.800  -0.47  -0.16  -0.05   0.08 
1 1 1   15    1   28 o   2.9292   0.8157   0.8813 -99.1000   0.28  -0.20  -0.02  -0.00 
1 1 1   15    1   29 o   1.6298   1.0284   0.2536 -27.4000   0.05   0.28  -0.02   0.01 
1 1 1   15    1   30 f   2.2571   1.0695   0.5160 -150.2000  -0.20   0.28  -0.02   0.01 
1 1 1   15    1   31 o   2.1811   1.2453   2.0350 -75.8000   0.32  -0.01  -0.01   0.01 
1 1 1   15    1   32 o   6.6185   0.8811   0.2541  -9.9000   0.07  -0.23  -0.00  -0.00 
1 1 1   15    1   33 o   4.9977   1.3187   1.8090  177.500   0.13  -0.29  -0.00  -0.00 
1 1 1   15    3    0 o   8.8374   0.4618   4.8187  180.000  -0.11   0.00   0.00   0.00 
1 1 1   15    3    1 o   33.827   0.6375   31.212 -14.1000   3.31  -0.10  -0.28   0.06 
1 1 1   15    3    2 o   11.649   0.2383   5.8028 -91.0000  -1.81  -2.03  -0.10  -1.94 
1 1 1   15    3    3 o   10.576   1.1552   10.826  149.300 -12.49   0.44  -1.96   0.20 
1 1 1   15    3    4 o   11.168   0.2436   6.4918  142.500   0.09   0.33   0.12  -0.18 
1 1 1   15    3    5 o   10.505   1.1096   15.363  118.200 -14.01  -2.61  -3.21  -1.39 
1 1 1   15    3    6 o   13.923   0.1899   14.714   48.800   0.33  -0.24   0.04   0.17 
1 1 1   15    3    7 o   11.012   0.9071   10.792 -64.2000  12.52  -4.51  -2.76   2.01 
1 1 1   15    3    8 o   5.9411   0.4760   11.325 -97.7000   0.97  -1.49   0.18   0.30 
1 1 1   15    3    9 o   6.7883   0.5261   9.1693   44.100  -2.02   5.02   1.52   1.76 
1 1 1   15    3   10 o   6.8041   0.3379   8.9110  173.500  -0.54   0.16  -0.24   0.39 
1 1 1   15    3   11 o   10.941   0.2264   5.1217 -136.0000  -0.34  -0.19   0.01  -0.25 
1 1 1   15    3   12 o   10.191   0.2461   8.3531   69.900   1.00   0.74  -0.26  -0.41 
1 1 1   15    3   13 o   4.2468   0.4562   5.9361  142.300  -0.42  -0.14  -0.21  -0.03 
1 1 1   15    3   14 o   11.455   0.3787   7.0972 -97.1000   0.13  -2.45   0.56   0.23 
1 1 1   15    3   15 o   13.187   0.5148   9.4147   57.800   3.03   3.23  -0.47  -1.82 
1 1 1   15    3   16 o   7.8716   0.3209   11.238 -16.7000   0.29  -1.99   1.18  -0.11 
1 1 1   15    3   17 o   5.5923   0.5710   8.2569 -135.3000  -4.17  -0.40  -1.55   0.13 
1 1 1   15    3   18 o   8.6281   0.5094   10.891 -162.4000  -0.50  -0.13  -0.02  -0.00 
1 1 1   15    3   19 o   9.3967   0.8764   4.9068  147.200  -7.81   6.39  -0.63   1.65 
1 1 1   15    3   20 o   10.229   0.3537   14.164  102.800  -0.67   0.72   0.05   0.09 
1 1 1   15    3   21 o   5.0325   0.4420   7.2236 -47.1000   0.07   0.10   0.01   0.03 
1 1 1   15    3   22 o   7.4771   0.3236   5.2135 -31.8000   0.59   0.55  -0.09  -0.09 
1 1 1   15    3   23 o   4.1368   0.5192   2.3810 -98.8000  -0.41   0.00  -0.03   0.11 
1 1 1   15    3   24 o   9.1634   0.2851   4.8036 -102.9000  -0.54   0.54  -0.12   0.04 
1 1 1   15    3   25 o   2.3838   1.1291   4.4826  128.800   0.50   0.44  -0.03  -0.05 
1 1 1   15    3   26 o   7.0140   0.3569   5.3161  104.900   0.13  -0.75  -0.09   0.17 
1 1 1   15    3   27 o   4.5199   0.5211   5.0184 -15.0000   0.97  -0.59  -0.21  -0.07 
1 1 1   15    3   28 o   4.2524   1.1538   4.2312 -108.3000   0.10  -0.80   0.03  -0.01 
1 1 1   15    3   29 o   3.6556   0.6678   1.9165  114.200  -0.66   0.54  -0.08   0.01 
1 1 1   15    3   30 o   3.3553   0.7636   4.6694 -101.0000   0.09  -0.18  -0.00  -0.01 
1 1 1   15    3   31 o   0.4690   0.9442   2.3503  168.800  -0.06  -0.09   0.00   0.01 
1 1 1   15    5    0 o   29.050   0.2745   19.854   0.0000   0.30   0.00   0.00   0.00 
1 1 1   15    5    1 o   16.562   0.4318   19.023   0.1000  -0.58   0.42  -0.02   0.04 
1 1 1   15    5    2 o   28.085   0.1718   28.761 -147.5000  -1.05   1.48   1.32   0.75 
1 1 1   15    5    3 o   6.7890   0.3384   7.8471  105.400   0.13   0.14  -0.01  -0.03 
1 1 1   15    5    4 o   15.345   0.5713   16.738  -8.6000   3.25   3.36   0.15  -0.96 
1 1 1   15    5    5 o   5.7173   0.3396   3.6025  143.600  -0.36   0.32   0.12   0.41 
1 1 1   15    5    6 o   13.934   0.3283   10.570  107.400   2.09   0.51  -0.39  -0.13 
1 1 1   15    5    7 o   14.965   0.2452   13.852 -149.3000  -0.52   1.33   0.15   0.09 
1 1 1   15    5    8 o   15.012   0.1741   8.4599   94.400   0.58  -0.48   0.08   0.32 
1 1 1   15    5    9 o   7.8570   0.7236   10.349   64.000   0.77   6.64   1.72  -0.27 
1 1 1   15    5   10 o   6.2187   0.3502   6.4677 -77.7000   0.68  -1.43   0.31   0.55 
1 1 1   15    5   11 f   5.2542   0.3986   10.307  -5.5000  -0.46   0.34  -0.45   0.31 
1 1 1   15    5   12 o   6.7138   0.3279   7.9056 -134.8000   0.15  -0.14   0.14   0.07 
1 1 1   15    5   13 o   15.261   0.2179   13.743 -146.8000  -2.21   1.05  -0.17   1.71 
1 1 1   15    5   14 o   13.250   0.2012   12.131   87.500   0.17   0.10  -0.07   0.05 
1 1 1   15    5   15 o   5.0300   1.4230   6.9820   58.600   1.57   1.44  -0.03  -0.15 
1 1 1   15    5   16 o   6.0117   0.4074   3.2370 -173.9000  -0.14  -0.63   0.08   0.00 
1 1 1   15    5   17 o   3.8129   0.5419   5.6421 -126.8000  -0.22   0.12   0.02   0.06 
1 1 1   15    5   18 o   14.881   0.3661   13.373 -117.5000  -0.96  -0.94  -0.27  -0.25 
1 1 1   15    5   19 o   3.2764   0.8693   4.3916   55.200   0.05  -1.42   0.31  -0.08 
1 1 1   15    5   20 o   6.8662   0.3258   11.184   49.800   0.80   0.59   0.05  -0.17 
1 1 1   15    5   21 o   6.9030   0.3582   6.5126 -22.6000   0.25   0.37  -0.00  -0.02 
1 1 1   15    5   22 o   1.0842   0.9445   1.0184   8.1000  -0.50   0.03  -0.15  -0.17 
1 1 1   15    5   23 o   9.9335   0.3908   5.5725  160.200  -0.74   0.28  -0.04  -0.00 
1 1 1   15    5   24 o   0.6337   0.9482   5.6420 -124.8000  -0.13  -0.07  -0.02   0.01 
1 1 1   15    5   25 o   2.8115   0.7089   2.2341 -163.1000  -0.15   0.20   0.03  -0.00 
1 1 1   15    5   26 o   5.7810   0.4400   6.5709   84.800   0.33   0.55   0.03  -0.01 
1 1 1   15    5   27 o   3.5816   1.4072   2.0239 -52.2000  -0.32  -0.01  -0.01   0.00 
1 1 1   15    5   28 o   3.8173   0.6245   4.6219 -107.4000  -0.34  -0.20  -0.02   0.01 
1 1 1   15    5   29 o   2.5496   0.8830   1.4857  114.200  -0.08  -0.23  -0.01  -0.00 
1 1 1   15    5   30 f   4.5210   0.6918   4.3070 -103.7000   0.05  -0.03  -0.00  -0.00 
1 1 1   15    5   31 o   3.8204   1.7257   1.6653   28.700   0.89   0.07  -0.04   0.02 
1 1 1   15    5   32 o   4.2093   1.0984   3.0052   67.100   0.13   0.22  -0.00  -0.00 
1 1 1   15    7    0 o   6.5955   0.4130   9.0744 -180.0000  -0.01   0.00   0.00   0.00 
1 1 1   15    7    1 o   19.382   0.1759   21.294  154.700  -0.34   1.96   6.08  -8.59 
1 1 1   15    7    2 o   6.0687   0.3687   8.2361  123.800  -0.14   0.02  -0.08  -0.03 
1 1 1   15    7    3 o   18.316   0.7362   16.536 -42.8000  12.89   7.83  -2.13  -5.59 
1 1 1   15    7    4 o   7.3280   0.3242   10.159 -27.4000   0.16  -0.14  -0.63  -0.79 
1 1 1   15    7    5 o   10.560   0.2457   10.226   98.300   0.01   0.55   0.59  -1.43 
1 1 1   15    7    6 o   15.050   0.3122   18.209 -111.1000  -5.41  -0.04  -2.34  -0.45 
1 1 1   15    7    7 o   16.261   0.4494   9.5357 -111.3000  -4.33  -1.52  -0.99  -0.57 
1 1 1   15    7    8 o   18.735   0.7077   20.826   98.400  -6.71   5.42  -0.03   1.91 
1 1 1   15    7    9 o   5.5575   0.3945   6.8042 -125.1000  -0.29   0.48  -0.17   0.60 
1 1 1   15    7   10 o   13.488   0.2071   8.2417   73.500   0.37   0.28   0.67   0.50 
1 1 1   15    7   11 o   14.286   0.3536   12.270   22.900   0.44   0.22   0.01  -0.12 
1 1 1   15    7   12 o   18.256   0.1799   21.361 -124.1000  -0.19   0.11   0.09  -0.05 
1 1 1   15    7   13 o   6.2393   0.3381   7.1420  139.300  -0.01  -0.03   0.00   0.00 
1 1 1   15    7   14 o   10.502   0.2417   13.916   29.100   0.35   0.77   0.37   0.02 
1 1 1   15    7   15 o   7.8221   0.5455   4.4702 -171.3000  -2.97  -4.66   0.93  -1.18 
1 1 1   15    7   16 o   3.8417   0.5473   3.5202   14.800  -0.41  -0.41   0.04  -0.08 
1 1 1   15    7   17 o   4.4015   1.3977   3.6668 -101.3000  -3.30  -0.87  -0.35  -0.15 
1 1 1   15    7   18 o   12.080   0.5349   9.4941 -151.6000  -2.63   0.80  -0.24   0.45 
1 1 1   15    7   19 o   4.6059   0.4834   6.4392   17.500   0.55  -0.24   0.34   0.28 
1 1 1   15    7   20 o   6.4313   0.3771   5.2138   33.100  -0.27  -0.34  -0.03  -0.04 
1 1 1   15    7   21 o   6.2757   0.3644   4.8229 -39.8000  -0.13   0.70   0.07  -0.01 
1 1 1   15    7   22 o   3.9217   1.0145   3.1008   67.900  -1.71   1.33  -0.14   0.20 
1 1 1   15    7   23 o   5.5498   0.4278   6.8678  149.800  -0.03  -0.33  -0.08  -0.02 
1 1 1   15    7   24 o   2.7714   1.2451   1.4942 -145.2000  -0.70   0.10  -0.03   0.02 
1 1 1   15    7   25 o   6.0003   0.4782   2.9605  114.300   1.60   1.39  -0.55  -0.12 
1 1 1   15    7   26 o   3.4112   0.6074   5.3429   72.500  -0.88  -0.03  -0.05  -0.05 
1 1 1   15    7   27 o   4.1590   0.5796   4.9706 -99.7000  -0.40  -0.61  -0.12   0.09 
1 1 1   15    7   28 o   2.5843   1.2146   3.3477 -92.8000  -0.71  -0.52  -0.10  -0.03 
1 1 1   15    7   29 o   0.0000   2.1531  ?   ?   -0.04   0.12  -0.00   0.00 
1 1 1   15    7   30 f   5.0235   0.7895   3.3169 -125.1000   0.53   0.10  -0.01   0.03 
1 1 1   15    7   31 o   6.3406   0.8634   3.4907  -0.7000   0.22  -0.44  -0.02  -0.00 
1 1 1   15    9    0 o   4.4272   0.6101   11.215 -180.0000  -0.08   0.00   0.00   0.00 
1 1 1   15    9    1 o   5.8074   0.3482   8.0549 -127.9000  -0.31   0.26  -0.20   0.18 
1 1 1   15    9    2 o   12.511   1.0290   13.108   82.500   2.36   8.63   1.12  -0.52 
1 1 1   15    9    3 o   23.004   0.7514   15.679  119.800  -3.20   2.96   0.07   0.45 
1 1 1   15    9    4 o   16.958   0.7793   16.555 -99.9000  -6.18  -2.89  -0.53  -0.91 
1 1 1   15    9    5 o   28.262   0.1837   21.489 -43.5000  -0.12  -0.05   0.01   0.02 
1 1 1   15    9    6 f   11.717   0.5535   7.2532 -155.8000  -2.53  -2.17  -0.21  -0.58 
1 1 1   15    9    7 o   9.3853   0.2394   10.657 -154.1000  -1.35  -0.03  -0.95   0.54 
1 1 1   15    9    8 o   3.3781   0.5301   5.8234  115.200   0.09   2.02   0.77  -0.21 
1 1 1   15    9    9 f   15.972   0.7435   10.039  115.400  -7.18  10.79   0.90   4.06 
1 1 1   15    9   10 o   13.888   0.4397   8.1882 -38.4000   3.48   2.77   0.08  -1.46 
1 1 1   15    9   11 o   4.1235   1.3061   5.6840 -64.2000   0.05  -3.29   0.49   0.08 
1 1 1   15    9   12 o   5.1416   0.4051   4.7953   24.300  -1.18   1.08  -0.41   0.66 
1 1 1   15    9   13 f   3.9051   0.5087   9.2594   20.700   0.29   0.18   0.02  -0.08 
1 1 1   15    9   14 o   6.5563   0.3748   3.1746  146.300   0.10  -0.14  -0.07  -0.03 
1 1 1   15    9   15 o   0.9872   0.9249   3.5698  174.200   0.21   0.16  -0.01  -0.02 
1 1 1   15    9   16 o   2.1784   0.7456   2.3176  151.400  -0.12  -0.08   0.05  -0.02 
1 1 1   15    9   17 o   5.1594   0.4634   7.2107   50.000   0.05   0.26   0.01  -0.03 
1 1 1   15    9   18 o   5.5643   0.3940   2.4415 -109.5000  -0.28  -0.32   0.16  -0.00 
1 1 1   15    9   19 o   6.9887   0.6130   8.2455 -160.2000  -2.09  -0.68  -0.27  -0.07 
1 1 1   15    9   20 o   4.8198   0.5464   6.0438   9.2000   0.89   0.77   0.05  -0.11 
1 1 1   15    9   21 o   5.7527   0.3697   9.5288 -78.9000   0.46   0.32   0.15  -0.06 
1 1 1   15    9   22 o   3.4865   0.6442   5.0675  166.100  -0.07  -0.10  -0.00  -0.00 
1 1 1   15    9   23 o   6.5128   0.3940   6.5239   25.800  -0.43   0.21  -0.03  -0.03 
1 1 1   15    9   24 o   2.8753   0.6908   2.6155 -151.3000  -0.31   0.42  -0.05   0.03 
1 1 1   15    9   25 o   3.7478   0.6778   6.7942  136.500  -1.28   0.00  -0.09  -0.10 
1 1 1   15    9   26 o   2.1166   0.8609   3.2031   69.200   0.02  -0.11  -0.00   0.00 
1 1 1   15    9   27 o   3.4811   0.7116   1.5242  172.900   0.12  -0.57  -0.07   0.02 
1 1 1   15    9   28 o   2.4340   1.0197   2.7234   16.000  -0.04   0.14  -0.00  -0.01 
1 1 1   15    9   29 o   3.0362   1.1554   3.2468   24.900   0.24   0.03   0.00   0.01 
1 1 1   15   11    0 o   4.4385   0.6176   1.2603 -180.0000   0.22   0.00   0.00   0.00 
1 1 1   15   11    1 o   7.2409   0.4990   4.9572 -173.9000  -1.20   0.22  -0.15   0.02 
1 1 1   15   11    2 o   11.996   0.7619   10.069  135.300  10.35  13.03   0.58  -5.51 
1 1 1   15   11    3 o   13.369   0.4465   17.665  166.700  -1.57   4.90   1.05   0.47 
1 1 1   15   11    4 f   22.808   0.1766   13.253 -25.8000   1.00  -0.17   1.02  -1.07 
1 1 1   15   11    5 f   8.8811   0.2771   8.6113 -78.6000   0.15  -1.16   0.89  -1.22 
1 1 1   15   11    6 o   23.185   0.2296   24.295  149.800  -1.59   2.24   0.95   0.38 
1 1 1   15   11    7 f   11.116   0.3908   10.997 -30.7000   1.23   1.98   0.05  -0.44 
1 1 1   15   11    8 o   7.0226   0.5825   10.810 -84.1000   1.08  -1.20  -0.01   0.12 
1 1 1   15   11    9 o   11.590   0.1972   11.601  142.800  -0.19  -0.36  -0.12  -0.13 
1 1 1   15   11   10 o   12.710   0.2130   16.407 -49.5000   0.46   0.22   0.01  -0.07 
1 1 1   15   11   11 o   7.8395   0.2669   14.376 -43.2000   0.78   0.62  -0.19  -0.20 
1 1 1   15   11   12 o   11.276   0.1978   9.5600   93.600   0.25   0.34   0.18   0.32 
1 1 1   15   11   13 o   2.5749   1.2082   2.6903   18.000   0.88   0.20  -0.06  -0.04 
1 1 1   15   11   14 o   10.029   0.3166   6.3182 -131.7000   0.08  -2.20   0.39  -0.16 
1 1 1   15   11   15 o   11.707   0.2287   13.685  102.100   2.37   1.10  -0.69  -0.19 
1 1 1   15   11   16 o   10.406   0.6632   6.4091   32.500   5.45   5.06  -0.51  -1.35 
1 1 1   15   11   17 o   9.9409   0.2531   8.3189 -45.9000  -0.89  -0.91  -0.51  -0.09 
1 1 1   15   11   18 o   7.4412   0.3764   5.6003 -176.8000  -2.88   0.93  -0.06   1.16 
1 1 1   15   11   19 o   3.3779   0.7498   3.1198  154.500  -0.52   0.30  -0.04   0.02 
1 1 1   15   11   20 o   0.7987   0.9562   3.0073   16.700   0.12   0.75   0.15   0.06 
1 1 1   15   11   21 o   5.9478   0.3980   5.3629 -168.4000  -0.84  -0.54  -0.22   0.20 
1 1 1   15   11   22 o   2.5646   0.6481   2.3041  170.600  -0.13   0.06   0.01   0.00 
1 1 1   15   11   23 o   6.3153   1.0701   6.5358 -49.6000   3.09  -1.04  -0.09   0.16 
1 1 1   15   11   24 f   5.8689   0.7394   3.4036 -141.6000  -0.33  -1.11   0.01  -0.05 
1 1 1   15   11   25 o   2.9665   0.6775   3.8265  117.200   0.05   0.05  -0.00   0.00 
1 1 1   15   11   26 o   3.6359   1.0890   2.9314   33.800   0.71   0.43  -0.04  -0.03 
1 1 1   15   11   27 o   4.7947   0.5792   5.0474  131.700  -0.12   0.28  -0.01  -0.03 
1 1 1   15   11   28 o   5.3150   0.6837   0.8182   26.600  -0.07   0.09  -0.00  -0.00 
1 1 1   15   13    0 o   16.300   0.2328   19.965  180.000   0.46   0.00   0.00   0.00 
1 1 1   15   13    1 o   4.5219   0.5348   5.5990 -145.9000  -1.20  -3.69   1.68  -0.63 
1 1 1   15   13    2 o   12.189   0.2139   9.6863 -107.1000   1.29   2.32   0.09  -0.71 
1 1 1   15   13    3 o   6.4171   0.6355   5.3400  -0.8000   3.24   4.47   1.01  -1.67 
1 1 1   15   13    4 o   15.415   0.5698   12.251   9.8000   6.73  -6.39   0.21   1.32 
1 1 1   15   13    5 o   10.277   0.6663   10.753  172.100  -5.11  -4.35   0.15  -1.77 
1 1 1   15   13    6 o   7.5064   0.2813   7.7162  110.900  -0.43   0.22   0.71  -0.06 
1 1 1   15   13    7 o   10.008   0.6865   4.3392 -29.9000   4.60   6.51   0.99  -1.51 
1 1 1   15   13    8 o   1.8573   0.8847   7.3183 -112.6000  -1.20   0.22  -0.38   0.38 
1 1 1   15   13    9 o   0.0000   1.6882  ?   ?   -0.07   0.16   0.10  -0.11 
1 1 1   15   13   10 o   5.1151   1.2318   4.3136 -36.6000   2.81  -5.13   0.53   0.60 
1 1 1   15   13   11 o   11.047   0.2173   4.0032 -162.6000  -1.15   0.39  -0.02   0.37 
1 1 1   15   13   12 f   6.4027   0.2998   4.6161  163.200  -0.15   0.02   0.04  -0.03 
1 1 1   15   13   13 o   2.6914   0.9384   3.4111  142.900   0.05   0.55   0.04   0.01 
1 1 1   15   13   14 o   3.9476   0.5289   3.6776   82.800  -0.35   0.20  -0.06  -0.01 
1 1 1   15   13   15 o   14.434   0.5771   16.191   25.700   6.28  -3.19  -0.20   0.87 
1 1 1   15   13   16 o   10.257   0.2396   9.9970 -51.9000   0.15  -0.82  -0.42  -0.14 
1 1 1   15   13   17 o   6.7150   0.3275   10.256 -142.1000  -0.64  -0.49  -0.27   0.34 
1 1 1   15   13   18 o   6.4149   0.3757   9.7052  139.700   1.62   2.03  -0.54  -0.51 
1 1 1   15   13   19 f   6.3648   0.3920   2.4726  133.800   0.38   0.71  -0.14  -0.05 
1 1 1   15   13   20 o   1.2123   0.9197   2.6856 -107.3000   0.91  -0.43  -0.21   0.03 
1 1 1   15   13   21 o   1.8407   0.8010   3.0287   86.100   0.03  -0.24  -0.03   0.02 
1 1 1   15   13   22 o   4.9511   0.4775   3.1603 -51.8000   0.22   0.14   0.01  -0.00 
1 1 1   15   13   23 o   4.5399   1.3710   5.8778 -97.3000   0.04  -0.89   0.03  -0.01 
1 1 1   15   13   24 o   4.9172   0.4965   2.8636   85.600   0.35   0.40   0.03  -0.01 
1 1 1   15   13   25 o   4.1944   0.5647   1.9076   62.600  -0.39   0.12  -0.02  -0.04 
1 1 1   15   13   26 o   5.7527   0.6062   1.9123   62.200  -0.20   0.78  -0.12  -0.02 
1 1 1   15   15    0 o   9.2790   0.3126   5.9768  -0.0000   0.03   0.00   0.00   0.00 
1 1 1   15   15    1 o   8.8185   0.2479   10.560 -46.9000  -0.14  -1.13  -0.01  -0.94 
1 1 1   15   15    2 o   17.382   0.6298   14.948   94.100  -2.11   4.76   0.13   2.31 
1 1 1   15   15    3 o   7.6836   0.2729   4.4161  -6.4000   0.22   0.49  -0.23  -0.21 
1 1 1   15   15    4 o   15.514   0.9135   9.1308 -131.6000  -5.16  -9.77   4.31  -2.59 
1 1 1   15   15    5 o   5.4171   0.3149   9.4412  110.400   0.78   0.02  -0.26   0.28 
1 1 1   15   15    6 o   6.1842   0.5781   5.3046 -29.7000   2.84   2.98   0.77  -1.31 
1 1 1   15   15    7 o   3.4058   0.5359   7.7795   26.600   0.33  -0.26  -0.16  -0.04 
1 1 1   15   15    8 o   3.8292   0.4782   3.4026  143.400  -0.42  -0.11   0.28  -0.04 
1 1 1   15   15    9 o   2.3223   0.6891   4.8744 -170.6000  -0.44  -0.09  -0.02  -0.10 
1 1 1   15   15   10 o   5.3221   0.3875   8.2564 -25.6000   0.97   0.56   0.18  -0.33 
1 1 1   15   15   11 o   7.4262   0.2947   7.5439 -145.2000  -0.60  -0.39  -0.24   0.17 
1 1 1   15   15   12 o   7.1353   0.3255   9.5965  140.700  -0.26   0.77   0.16  -0.13 
1 1 1   15   15   13 o   5.9946   0.3230   6.4405   90.000  -0.08   0.18  -0.02  -0.00 
1 1 1   15   15   14 o   2.7765   0.6841   1.9523  -8.7000   0.50  -0.47   0.08   0.06 
1 1 1   15   15   15 o   7.2300   0.4554   8.9654 -22.9000  -0.17  -2.58   0.25  -0.32 
1 1 1   15   15   16 o   2.1608   0.7595   4.7054 -168.6000  -0.11   0.32   0.01  -0.06 
1 1 1   15   15   17 o   4.7924   0.6843   8.8233  165.200  -1.94   0.95  -0.32   0.04 
1 1 1   15   15   18 o   1.7758   0.9363   1.0739   22.900  -0.24  -0.02  -0.01   0.01 
1 1 1   15   15   19 o   1.6027   0.8323   2.3469 -14.0000  -0.60  -0.06  -0.01   0.16 
1 1 1   15   15   20 o   4.6449   0.4750   1.5505  158.900   0.31   0.06   0.03  -0.01 
1 1 1   15   15   21 o   4.3570   0.8086   3.9905   36.800  -0.35   0.56  -0.00   0.03 
1 1 1   15   15   22 o   4.9577   0.5606   6.4947 -67.8000   0.37  -0.51  -0.02   0.03 
1 1 1   15   15   23 o   5.6081   0.5385   7.6876 -125.8000   0.28  -0.36  -0.02   0.01 
1 1 1   15   17    0 o   3.2094   0.6808   0.6429 -180.0000   0.32   0.00   0.00   0.00 
1 1 1   15   17    1 o   7.2504   0.4387   4.8110 -35.3000  -0.09  -5.17   0.87  -0.38 
1 1 1   15   17    2 o   3.3540   0.5373   0.8650 -39.7000  -1.01  -1.27   0.39  -0.33 
1 1 1   15   17    3 o   3.5182   0.9922   3.4005  -8.1000   0.77  -2.36   0.23   0.33 
1 1 1   15   17    4 o   3.1404   0.4972   1.5490 -117.5000   0.38   0.08   0.17   0.08 
1 1 1   15   17    5 o   5.1767   1.6220   7.6606   53.300  -3.80   7.51   0.53   1.21 
1 1 1   15   17    6 o   3.0918   0.5039   0.5745   80.900  -0.11  -0.73   0.11   0.08 
1 1 1   15   17    7 o   2.0630   0.7234   3.3014 -172.8000  -0.36   0.18   0.13  -0.13 
1 1 1   15   17    8 o   2.9995   0.5811   1.3286 -90.1000   0.06   0.10   0.00   0.00 
1 1 1   15   17    9 o   3.1646   0.5565   2.8765 -103.6000  -0.16  -0.37  -0.11   0.08 
1 1 1   15   17   10 o   8.1861   0.3529   7.7617   15.900   1.77   0.98   0.38  -0.48 
1 1 1   15   17   11 f   4.8762   0.4319   6.9912  166.800   0.27  -0.48  -0.01   0.03 
1 1 1   15   17   12 o   10.112   0.2469   10.347  144.200  -0.98   2.58   0.62  -0.35 
1 1 1   15   17   13 o   6.3223   0.3780   6.7324 -24.2000   0.52  -0.94   0.16  -0.08 
1 1 1   15   17   14 o   7.6613   0.3174   6.9373 -93.4000   0.32  -0.19  -0.01  -0.03 
1 1 1   15   17   15 o   4.5110   0.4434   7.0253   90.200  -0.71   0.46  -0.15  -0.14 
1 1 1   15   17   16 o   4.9986   0.4331   2.8457   33.500  -0.14   0.96  -0.14   0.17 
1 1 1   15   17   17 o   4.0418   0.6459   5.0866 -88.3000  -1.59  -1.20  -0.19  -0.19 
1 1 1   15   17   18 o   3.2449   1.4603   1.1243 -127.2000   1.06  -0.59  -0.07   0.06 
1 1 1   15   17   19 o   4.8390   0.7010   6.6827  118.400  -1.35   0.66  -0.23  -0.07 
1 1 1   15   17   20 o   7.6282   0.9932   6.9236   93.800   0.11   0.46  -0.01   0.00 
1 1 1   15   19    0 o   9.9146   0.3127   13.066  -0.0000   0.74   0.00   0.00   0.00 
1 1 1   15   19    1 o   2.8989   0.5700   2.2455 -41.5000   0.69  -0.54  -0.12   0.07 
1 1 1   15   19    2 o   6.1683   0.3201   8.8155 -148.4000  -1.12  -0.30   0.14   0.53 
1 1 1   15   19    3 o   0.0000   1.6122  ?   ?    0.27   0.27   0.21   0.10 
1 1 1   15   19    4 o   3.5402   0.5160   2.5212 -123.5000   0.56  -0.08   0.03   0.10 
1 1 1   15   19    5 o   3.6067   0.4921   3.1646  164.400  -1.66  -0.70   0.13  -0.53 
1 1 1   15   19    6 o   5.1192   0.4018   7.1176   62.500  -0.42   0.24   0.04  -0.10 
1 1 1   15   19    7 o   7.3897   0.2810   5.5783 -71.6000   0.61  -0.66   0.18  -0.10 
1 1 1   15   19    8 o   3.7236   0.4561   1.0168 -19.2000   0.66  -0.08   0.07  -0.20 
1 1 1   15   19    9 o   10.746   0.2293   8.4549   96.600  -0.78   0.43   0.09   0.04 
1 1 1   15   19   10 o   4.5351   0.4254   6.1678  151.000  -0.44  -0.12   0.02  -0.07 
1 1 1   15   19   11 o   6.7311   0.3499   6.9406  158.600   0.04  -0.12  -0.01  -0.01 
1 1 1   15   19   12 f   5.9828   0.3874   6.2271 -74.3000  -0.05  -0.28  -0.03  -0.02 
1 1 1   15   19   13 o   9.6119   0.2427   10.640 -89.1000  -1.63  -0.54  -0.29   0.18 
1 1 1   15   19   14 o   3.8772   0.7201   1.6503   50.200  -0.42   0.11  -0.01  -0.05 
1 1 1   15   19   15 o   7.9446   1.0871   7.3486   12.800  -0.38   1.58  -0.00   0.10 
1 1 1   15   21    0 o   4.4944   0.7529   5.6023  180.000  -0.19   0.00   0.00   0.00 
1 1 1   15   21    1 f   4.3899   0.6052   5.2674 -158.6000   0.03  -0.24  -0.01  -0.02 
1 1 1   15   21    2 f   6.7511   0.3838   7.0818 -79.3000   0.45   0.45   0.10   0.03 
1 1 1   15   21    3 o   5.8152   0.5134   6.6587 -18.7000  -0.05  -0.21  -0.01  -0.01 
1 1 1   15   21    4 o   5.3985   0.7166   3.4808 -175.2000  -1.77   1.13   0.08   0.27 
1 1 1   15   21    5 o   10.149   0.8893   9.0120   95.000  -2.21   1.44  -0.20   0.03 
1 1 1   15   21    6 f   5.7242   0.9235   7.9833   4.7000   0.82   0.22   0.05   0.03 
1 1 1   16    0    0 f   5.3944   0.9816   9.5905  -0.0000  -0.01   0.00   0.00   0.00 
1 1 1   16    0    1 o   16.888   0.3509   22.233   90.000  -0.00  -0.10   0.00   0.00 
1 1 1   16    0    2 o   5.8481   0.5523   5.3672   0.0000   0.07   0.00   0.00   0.00 
1 1 1   16    0    3 o   7.0993   0.5598   9.6144   90.000   0.00   0.10   0.00   0.00 
1 1 1   16    0    4 o   8.0000   0.5157   2.3924 -180.0000  -0.06   0.00   0.00   0.00 
1 1 1   16    0    5 o   30.488   0.2827   25.723 -90.0000  -0.00  -0.62   0.00   0.00 
1 1 1   16    0    6 o   11.606   0.3835   15.910  180.000  -0.16   0.00   0.00   0.00 
1 1 1   16    0    7 o   2.8636   0.8254   3.6470   90.000   0.00   0.09   0.00   0.00 
1 1 1   16    0    8 o   2.2361   0.9626   0.0013   0.0000   0.06   0.00   0.00   0.00 
1 1 1   16    0    9 o   3.1464   0.8208   3.7070 -90.0000   0.00   0.01   0.00   0.00 
1 1 1   16    0   10 o   3.3317   0.7445   3.1086  180.000  -0.06   0.00   0.00   0.00 
1 1 1   16    0   11 o   6.0000   0.5126   14.146 -90.0000  -0.00  -0.12   0.00   0.00 
1 1 1   16    0   12 o   9.7929   0.3593   13.503  -0.0000   0.21   0.00   0.00   0.00 
1 1 1   16    0   13 o   0.0000   2.7203   1.4863 -90.0000   0.00   0.01   0.00   0.00 
1 1 1   16    0   14 o   0.8367   1.1260   8.4445  180.000  -0.06   0.00   0.00   0.00 
1 1 1   16    0   15 o   3.7148   0.8294   0.2060   90.000  -0.00  -0.11   0.00   0.00 
1 1 1   16    0   16 o   10.198   0.4007   10.615   0.0000   0.24   0.00   0.00   0.00 
1 1 1   16    0   17 o   3.9875   0.8004   7.9549   90.000   0.00   0.32   0.00   0.00 
1 1 1   16    0   18 o   7.1274   0.4480   5.6074  180.000  -0.02   0.00   0.00   0.00 
1 1 1   16    0   19 o   0.0000   2.7386   1.5544   90.000  -0.00  -0.09   0.00   0.00 
1 1 1   16    0   20 o   1.7607   1.1863   5.3219  180.000  -0.15   0.00   0.00   0.00 
1 1 1   16    0   21 o   3.2558   0.9345   0.8945   90.000   0.00   0.00   0.00   0.00 
1 1 1   16    0   22 o   3.1937   0.9172   4.8435   0.0000   0.19   0.00   0.00   0.00 
1 1 1   16    0   23 o   2.9496   1.0210   6.2454 -90.0000   0.00   0.03   0.00   0.00 
1 1 1   16    0   24 o   0.0000   2.8284   1.3122  180.000   0.03   0.00   0.00   0.00 
1 1 1   16    0   25 o   1.1402   1.1809   3.3316   90.000  -0.00  -0.03   0.00   0.00 
1 1 1   16    0   26 o   0.0000   3.0496   1.0019  -0.0000   0.04   0.00   0.00   0.00 
1 1 1   16    0   27 f   1.1832   1.2524   3.2893 -90.0000   0.00   0.09   0.00   0.00 
1 1 1   16    0   28 o   1.7321   1.2679   0.5633   0.0000  -0.01   0.00   0.00   0.00 
1 1 1   16    0   29 o   0.0000   2.9496   0.6479   90.000   0.00   0.01   0.00   0.00 
1 1 1   16    0   30 o   3.3015   1.0232   1.3355  180.000  -0.22   0.00   0.00   0.00 
1 1 1   16    2    0 o   10.700   0.4006   8.2638  -0.0000   0.16   0.00   0.00   0.00 
1 1 1   16    2    1 o   8.6243   0.3297   10.594  135.000  -0.23  -1.31   0.26  -0.16 
1 1 1   16    2    2 o   13.008   0.2196   5.9692 -97.4000   0.40   0.43  -0.13  -0.26 
1 1 1   16    2    3 o   11.342   0.9762   9.5092   52.200  -2.13   4.02   0.16   0.28 
1 1 1   16    2    4 o   9.5500   0.2788   5.9913  104.400  -0.04  -0.10   0.07   0.10 
1 1 1   16    2    5 o   16.484   0.5537   15.385 -100.9000   3.58  -2.03  -0.59   0.69 
1 1 1   16    2    6 o   11.116   0.3175   9.3948 -132.9000   0.52  -0.79  -0.02   0.25 
1 1 1   16    2    7 o   11.769   0.5234   8.4060   78.700  -5.38   1.09  -1.48   0.31 
1 1 1   16    2    8 o   11.551   0.3988   6.9471   86.700  -0.53   1.03   0.05   0.16 
1 1 1   16    2    9 o   11.593   0.6284   7.1357 -33.3000  -1.17   2.85   0.41   0.26 
1 1 1   16    2   10 o   8.7323   0.3698   2.8303   12.700  -0.93  -0.04  -0.09  -0.03 
1 1 1   16    2   11 f   21.038   0.5097   17.117 -86.7000  -1.39  -2.69  -0.00  -1.36 
1 1 1   16    2   12 o   6.2487   0.3892   6.2759 -148.5000  -0.08  -0.02  -0.01   0.00 
1 1 1   16    2   13 o   1.3613   0.9374   6.7841 -165.2000  -0.42  -0.67   0.08  -0.10 
1 1 1   16    2   14 o   6.5789   0.5789   3.2337   10.400   1.47   1.41   0.04  -0.21 
1 1 1   16    2   15 f   7.2301   0.5508   8.7417   50.900   1.54   2.01   0.18  -0.29 
1 1 1   16    2   16 o   4.0441   0.5548   1.5992  120.000   0.00   0.22   0.02  -0.06 
1 1 1   16    2   17 o   6.1903   0.3621   7.0354  161.200  -1.33   0.03  -0.31  -0.16 
1 1 1   16    2   18 o   7.7717   0.3301   4.3168   71.400   0.26  -0.21  -0.09  -0.09 
1 1 1   16    2   19 o   4.2930   0.5588   6.0268   29.700  -0.13   0.22  -0.01   0.02 
1 1 1   16    2   20 o   4.5663   1.1234   3.8151 -76.8000  -2.40  -0.58  -0.19  -0.19 
1 1 1   16    2   21 o   6.8722   0.4037   2.8602 -118.8000  -1.88  -0.69  -0.54   0.18 
1 1 1   16    2   22 o   10.024   0.2746   4.5844 -113.4000  -0.40  -1.07  -0.56   0.10 
1 1 1   16    2   23 o   2.2750   0.8186   1.5574  137.600  -0.28   0.09  -0.02  -0.05 
1 1 1   16    2   24 o   8.1747   0.3369   6.7257  105.900   0.92  -0.18   0.09   0.11 
1 1 1   16    2   25 o   3.2812   0.6421   3.6877 -43.4000   0.13  -0.20  -0.00  -0.02 
1 1 1   16    2   26 o   4.7914   0.5325   6.2872 -79.7000   0.11  -0.26  -0.01  -0.02 
1 1 1   16    2   27 o   1.5387   0.9108   2.4222  161.900   0.24   0.30  -0.05   0.04 
1 1 1   16    2   28 o   4.6890   0.5303   3.7407   56.500  -0.45   0.38  -0.03  -0.01 
1 1 1   16    2   29 o   2.7069   1.3054   1.4800 -156.7000   0.64  -0.12  -0.03  -0.00 
1 1 1   16    2   30 o   4.2580   0.8181   3.5955  108.000  -0.45   0.12   0.02   0.02 
1 1 1   16    4    0 o   4.7539   0.6187   1.5714   0.0000  -0.08   0.00   0.00   0.00 
1 1 1   16    4    1 o   8.4572   0.2868   13.410 -146.0000  -0.12  -0.04  -0.01   0.24 
1 1 1   16    4    2 o   8.6819   0.9513   9.3156   63.100   2.50   5.52   0.71  -0.64 
1 1 1   16    4    3 o   18.789   0.2051   19.946  -1.7000   1.64  -1.42   1.22   1.39 
1 1 1   16    4    4 o   7.5476   1.0290   15.028  172.600  -4.73  -3.04  -0.24  -0.70 
1 1 1   16    4    5 f   6.4034   0.3947   1.9953 -126.4000  -0.17  -0.10  -0.15   0.08 
1 1 1   16    4    6 o   10.351   0.2408   9.8086 -50.3000   0.51  -0.39  -1.11  -0.22 
1 1 1   16    4    7 o   16.554   0.1862   12.823  147.900  -0.11   0.77  -0.33  -1.24 
1 1 1   16    4    8 o   13.941   0.2227   12.286  103.200  -0.05   0.18  -0.10   0.00 
1 1 1   16    4    9 o   10.677   0.2362   13.763 -30.9000  -0.17  -0.11  -0.07   0.00 
1 1 1   16    4   10 o   21.968   0.1816   16.101 -108.0000  -0.60   0.62  -0.57  -0.01 
1 1 1   16    4   11 f   7.6049   0.3270   8.8396  165.800  -0.75  -0.03  -0.15   0.05 
1 1 1   16    4   12 o   16.470   0.1947   10.296 -15.4000   0.29  -0.33  -0.12   0.01 
1 1 1   16    4   13 o   8.6061   0.4026   7.6473 -21.9000   0.60  -0.67   0.07   0.10 
1 1 1   16    4   14 o   4.9754   0.4108   4.3858   99.200   0.22   0.10  -0.00  -0.01 
1 1 1   16    4   15 o   7.1462   0.3598   10.006 -163.2000  -0.06  -0.33   0.05   0.04 
1 1 1   16    4   16 o   13.601   0.4108   8.9264 -127.4000  -2.90  -0.69  -1.15   0.26 
1 1 1   16    4   17 o   8.5964   0.3205   8.8949   55.500   0.04   0.61   0.00   0.26 
1 1 1   16    4   18 o   18.122   0.6794   18.660   59.600  13.78  -1.48  -3.17   2.25 
1 1 1   16    4   19 o   5.7157   0.3813   7.1864 -43.3000   0.19   0.11   0.07   0.02 
1 1 1   16    4   20 o   12.194   0.3606   12.729 -124.4000   0.45  -4.86   0.81   1.00 
1 1 1   16    4   21 o   11.437   0.2307   10.922 -170.1000  -1.88  -0.02   0.56   1.11 
1 1 1   16    4   22 o   3.8154   0.5978   0.8749 -90.9000   0.61   0.83   0.11  -0.06 
1 1 1   16    4   23 o   6.4459   0.3884   6.5666   52.300  -0.73   0.48  -0.10  -0.03 
1 1 1   16    4   24 o   1.3608   0.9047   2.4250   63.100  -0.11  -0.05   0.01   0.01 
1 1 1   16    4   25 o   6.5452   0.3740   5.4007 -55.5000  -0.30  -1.04  -0.18  -0.13 
1 1 1   16    4   26 o   3.5161   0.6388   3.4235 -83.2000   0.09  -0.02   0.00   0.00 
1 1 1   16    4   27 o   5.2847   0.4774   4.8667  133.400  -0.09   0.99  -0.08   0.12 
1 1 1   16    4   28 o   3.3472   0.8247   2.3607   66.400   0.17  -0.01   0.00   0.00 
1 1 1   16    4   29 o   4.1639   1.9547   0.8357   33.100   0.00  -0.29   0.00  -0.00 
1 1 1   16    4   30 f   4.9900   1.2049   4.2346   88.400  -0.25   0.18   0.00   0.00 
1 1 1   16    6    0 o   14.241   0.3126   21.519  180.000  -0.35   0.00   0.00   0.00 
1 1 1   16    6    1 o   6.0508   1.3702   5.8837 -63.7000  -2.93  -9.92   1.79  -1.38 
1 1 1   16    6    2 o   13.894   0.1912   15.003 -53.2000   0.39  -0.78   0.37   0.07 
1 1 1   16    6    3 o   6.2680   0.4402   10.491  178.300   2.56   1.62  -0.56  -0.75 
1 1 1   16    6    4 o   9.1040   0.4789   11.130  128.300   0.25   0.26  -0.00  -0.01 
1 1 1   16    6    5 o   11.375   0.2109   9.2214 -40.0000   0.98   0.59   0.03  -0.51 
1 1 1   16    6    6 o   12.777   0.2152   9.3290   54.600  -1.29  -0.98  -0.52  -0.51 
1 1 1   16    6    7 o   16.016   0.1978   12.211  111.600   0.11   1.19   0.34  -0.72 
1 1 1   16    6    8 o   11.721   0.2165   19.450 -70.3000   0.11   0.29  -0.32   0.28 
1 1 1   16    6    9 f   12.307   0.2161   16.410 -88.5000   0.50  -0.11  -0.20  -0.13 
1 1 1   16    6   10 o   10.190   0.2592   10.751 -166.8000  -2.04  -1.74   0.40  -1.12 
1 1 1   16    6   11 o   10.990   0.2332   11.716   63.200  -0.09  -0.02   0.00   0.01 
1 1 1   16    6   12 o   13.919   0.6435   17.204   30.500   5.21   3.59  -0.11  -1.08 
1 1 1   16    6   13 o   8.0486   0.3063   5.8590  108.700  -0.66   0.12  -0.22  -0.18 
1 1 1   16    6   14 o   4.8997   0.4307   6.1657 -173.7000  -0.23  -0.21   0.04  -0.05 
1 1 1   16    6   15 o   10.386   0.2953   12.745 -109.0000  -1.90  -1.97  -0.85  -1.00 
1 1 1   16    6   16 o   12.541   0.4458   8.0385 -158.3000  -2.10  -0.71  -0.41  -0.02 
1 1 1   16    6   17 o   15.923   0.2963   12.734   59.100   2.17   1.40  -1.65   0.64 
1 1 1   16    6   18 o   13.540   0.2152   8.8616   28.600  -0.96   1.84  -0.04   0.40 
1 1 1   16    6   19 o   11.815   0.2377   10.780 -120.3000  -0.49  -1.35  -0.68   0.71 
1 1 1   16    6   20 o   4.7823   1.4244   3.9553 -176.7000  -2.64  -0.36  -0.15  -0.08 
1 1 1   16    6   21 o   4.5740   0.4712   5.2562  130.500  -0.16   0.59  -0.07   0.12 
1 1 1   16    6   22 o   2.8347   0.7041   1.3935 -92.3000   0.30  -0.21  -0.04  -0.03 
1 1 1   16    6   23 o   5.0254   0.4672   6.0005  -3.9000  -0.57  -1.08   0.23   0.16 
1 1 1   16    6   24 o   3.7376   0.5205   2.5414 -33.2000  -0.35  -0.07   0.03   0.05 
1 1 1   16    6   25 o   2.9291   0.7647   1.5873 -58.8000   0.14  -0.40   0.02  -0.02 
1 1 1   16    6   26 o   0.0000   2.1090  ?   ?   -0.00  -0.03  -0.00  -0.00 
1 1 1   16    6   27 o   0.0000   2.3306  ?   ?    0.05   0.20   0.01   0.01 
1 1 1   16    6   28 o   4.2979   1.8876   2.1091  118.800   0.52  -0.09  -0.00   0.03 
1 1 1   16    8    0 o   0.0000   2.6268   4.4947  -0.0000   0.01   0.00   0.00   0.00 
1 1 1   16    8    1 o   10.569   0.4920   6.2050 -178.8000  -0.75   1.13   0.07   0.10 
1 1 1   16    8    2 o   9.7206   0.9336   15.031 -78.7000   2.19  -7.68   1.01   0.80 
1 1 1   16    8    3 o   14.936   0.4967   4.3100 -99.0000  -0.14  -1.00   0.06  -0.04 
1 1 1   16    8    4 o   6.1150   0.3471   10.600  135.600   0.12   2.50   1.15   0.20 
1 1 1   16    8    5 o   9.1150   0.2769   7.4791   37.100   0.70  -0.10  -0.10   0.31 
1 1 1   16    8    6 o   10.022   0.2299   10.177   97.500  -0.03  -0.32  -0.09   0.22 
1 1 1   16    8    7 o   10.473   0.2662   10.826 -160.8000  -0.18   0.82   0.13  -0.02 
1 1 1   16    8    8 o   13.538   0.2728   23.513 -27.5000   1.86  -1.70   0.37   0.76 
1 1 1   16    8    9 o   7.1597   0.3403   6.1754 -54.8000  -0.24  -0.19  -0.16   0.14 
1 1 1   16    8   10 o   5.9183   0.3879   8.1123  135.600  -0.61  -0.20   0.63  -0.57 
1 1 1   16    8   11 o   13.109   0.1952   12.215   44.800   0.18  -0.17   0.06  -0.01 
1 1 1   16    8   12 o   9.1437   0.2933   5.9140  139.700   0.25  -0.31   0.12  -0.26 
1 1 1   16    8   13 o   13.046   0.3148   6.3300 -167.4000  -1.38   0.58  -0.55  -0.12 
1 1 1   16    8   14 o   12.317   0.2136   12.289 -120.0000  -0.99  -0.07  -0.17   0.29 
1 1 1   16    8   15 o   6.5275   0.7767   4.0123 -179.7000  -1.08   0.28  -0.03   0.03 
1 1 1   16    8   16 o   8.1559   0.3127   9.2067   90.100   0.13   0.02  -0.00   0.00 
1 1 1   16    8   17 o   8.5223   0.3298   6.5961 -39.1000   2.21  -0.16  -0.32  -0.17 
1 1 1   16    8   18 o   1.9557   0.8517   1.0383   41.500   0.08  -0.10   0.00   0.00 
1 1 1   16    8   19 o   4.1481   0.5402   5.8857 -52.9000   0.18   0.46  -0.04   0.17 
1 1 1   16    8   20 o   1.9625   0.8120   2.6840 -107.9000   0.33   0.15  -0.04   0.10 
1 1 1   16    8   21 o   10.090   0.2977   11.912  129.800  -1.40   2.30   0.49  -0.04 
1 1 1   16    8   22 o   5.9638   0.6641   5.6324 -33.3000   1.65  -1.48  -0.18   0.15 
1 1 1   16    8   23 o   6.3317   0.4202   0.8761 -133.0000   0.22  -0.18   0.01  -0.01 
1 1 1   16    8   24 o   4.1759   0.7273   3.9320  108.600  -1.06  -0.19  -0.02  -0.08 
1 1 1   16    8   25 o   2.6537   1.2908   5.3603 -49.8000  -0.35  -0.26  -0.02  -0.00 
1 1 1   16    8   26 f   4.7161   1.1712   4.9595 -99.2000  -1.29  -0.25  -0.07   0.01 
1 1 1   16    8   27 f   4.7092   1.0494   1.4048   72.900  -0.23   0.33  -0.01   0.01 
1 1 1   16    8   28 o   5.7793   0.9348   1.5689  151.000   0.35   0.27   0.00   0.00 
1 1 1   16   10    0 o   5.5857   0.5293   2.2556   0.0000  -0.49   0.00   0.00   0.00 
1 1 1   16   10    1 o   5.5968   0.3483   2.5394   64.100   0.07  -0.94   0.37   0.48 
1 1 1   16   10    2 o   10.524   1.2165   8.5466 -89.8000 -12.58 -14.26   0.04  -2.85 
1 1 1   16   10    3 o   3.3256   0.5785   4.6348 -25.8000   0.70  -0.40  -0.01   0.22 
1 1 1   16   10    4 f   8.4339   0.3116   7.3450  157.500  -1.46   0.57  -0.26   0.09 
1 1 1   16   10    5 o   4.4633   1.4110   3.6785 -121.5000  -0.56  -3.71   0.38  -0.08 
1 1 1   16   10    6 o   6.9553   0.3175   14.509 -27.0000   0.63   0.36   0.01  -0.15 
1 1 1   16   10    7 o   0.0000   1.7886  ?   ?    0.24   0.28   0.19  -0.15 
1 1 1   16   10    8 o   3.2872   0.5470   6.2763   48.000  -0.92   0.44  -0.13   0.08 
1 1 1   16   10    9 o   4.6714   0.4431   2.6915 -34.7000  -0.07  -0.53   0.12   0.10 
1 1 1   16   10   10 f   6.2468   0.3395   9.0530  117.100  -0.24  -0.57   0.23   0.08 
1 1 1   16   10   11 o   9.8115   0.2732   9.8183   99.400  -1.06   1.29  -0.22   0.38 
1 1 1   16   10   12 o   7.1542   0.2987   6.5472 -113.9000   0.76   0.31  -0.01  -0.19 
1 1 1   16   10   13 o   13.876   0.3199   8.6711 -133.3000  -1.52   1.95   0.45   0.32 
1 1 1   16   10   14 o   4.7495   0.4274   3.8543  100.400   0.13   1.19   0.15  -0.29 
1 1 1   16   10   15 f   7.9548   0.2972   7.4025  -4.2000   0.60   1.54   0.32   0.02 
1 1 1   16   10   16 o   3.2378   1.4501   2.2331 -165.8000  -1.48  -0.94  -0.19  -0.17 
1 1 1   16   10   17 o   7.0394   0.3518   6.7800 -168.5000  -0.62   0.13   0.12   0.12 
1 1 1   16   10   18 o   4.9476   0.4791   5.2676   8.8000   0.84   0.55  -0.08   0.40 
1 1 1   16   10   19 o   2.5677   1.2246   1.6429 -92.6000   0.01  -0.36   0.01  -0.01 
1 1 1   16   10   20 o   4.6641   0.6004   4.9805 -154.7000  -0.31  -1.21   0.11   0.06 
1 1 1   16   10   21 o   6.2539   0.3835   3.5390   35.600   0.34   0.22  -0.02   0.04 
1 1 1   16   10   22 o   3.3572   0.6469   1.7920 -11.1000   0.40   0.85   0.11   0.05 
1 1 1   16   10   23 o   6.3020   0.5226   5.2903  129.000  -0.56   0.17  -0.01  -0.02 
1 1 1   16   10   24 o   4.6427   0.8064   4.2667   22.900  -0.77  -1.45   0.14   0.04 
1 1 1   16   10   25 o   6.7795   0.4372   6.3628 -67.2000  -0.44  -0.47  -0.07   0.03 
1 1 1   16   10   26 o   3.6000   0.8136   4.1166 -131.5000  -0.06  -0.13  -0.00   0.00 
1 1 1   16   12    0 o   13.656   0.2587   6.9792   0.0000  -0.61   0.00   0.00   0.00 
1 1 1   16   12    1 o   6.2690   0.9432   3.0765   70.600  -0.02   3.60   0.31   0.06 
1 1 1   16   12    2 o   10.386   0.2217   2.9619   10.600   0.12  -1.59   0.50  -0.40 
1 1 1   16   12    3 o   9.9684   0.4204   7.5576 -126.2000  -1.64  -5.96   2.64  -0.32 
1 1 1   16   12    4 f   6.5893   0.3438   6.2358 -175.5000  -1.96   2.30   0.56   0.86 
1 1 1   16   12    5 o   9.2150   0.4171   8.0684   4.0000   1.38   1.95   0.34  -0.33 
1 1 1   16   12    6 o   2.1835   0.9356   3.3592 -69.8000   0.70  -1.86   0.52   0.24 
1 1 1   16   12    7 f   1.1665   0.9056   2.6625   82.100   0.00   0.03  -0.00   0.00 
1 1 1   16   12    8 o   3.0522   0.5296   2.1841 -94.2000  -0.37  -0.09  -0.00  -0.14 
1 1 1   16   12    9 o   5.6023   0.8134   4.6428 -161.5000  -1.57  -2.88   0.10  -0.27 
1 1 1   16   12   10 o   8.3946   0.2751   7.4834   69.000  -0.13   0.32   0.03  -0.02 
1 1 1   16   12   11 o   2.1912   1.0385   3.6952 -136.8000  -0.51  -0.27  -0.01  -0.05 
1 1 1   16   12   12 o   8.4544   0.2911   1.9326 -173.6000  -0.53  -0.66  -0.33   0.30 
1 1 1   16   12   13 o   10.673   0.2273   10.233   36.500   0.04   0.76  -0.23  -0.18 
1 1 1   16   12   14 o   8.1339   0.3035   3.8864 -11.8000   0.54   0.33   0.05   0.23 
1 1 1   16   12   15 o   7.0597   0.3222   8.2924 -139.4000   0.48  -0.87  -0.28   0.07 
1 1 1   16   12   16 o   7.0076   0.3492   5.6900  152.100  -0.83  -0.01   0.21  -0.10 
1 1 1   16   12   17 f   2.8517   0.6839   2.4146 -145.6000  -0.02   0.12  -0.01   0.00 
1 1 1   16   12   18 o   3.4031   0.5981   3.7810 -26.7000   0.37  -0.28   0.01  -0.10 
1 1 1   16   12   19 o   2.8233   0.6434   2.5685 -75.4000  -0.24  -0.18  -0.02   0.03 
1 1 1   16   12   20 o   2.5017   1.1969   0.9552 -130.2000   0.50  -0.22   0.01   0.04 
1 1 1   16   12   21 o   2.7138   1.0683   2.3548   36.800   1.08  -0.11  -0.04   0.12 
1 1 1   16   12   22 o   5.4377   0.4478   3.6398   92.800  -0.15   0.34   0.01  -0.04 
1 1 1   16   12   23 o   4.3257   0.6486   3.5671   56.800   0.07  -0.34  -0.03   0.02 
1 1 1   16   12   24 f   6.1399   0.8718   3.0308 -54.8000  -0.31  -0.01   0.01   0.00 
1 1 1   16   14    0 o   2.8284   0.7579   3.0090   0.0000  -0.02   0.00   0.00   0.00 
1 1 1   16   14    1 o   5.3402   0.3985   4.8474  141.100  -1.36  -0.80   0.05  -0.34 
1 1 1   16   14    2 o   4.5640   0.4653   4.0742 -91.4000   0.62  -0.65  -0.25   0.13 
1 1 1   16   14    3 o   9.0370   0.3093   9.5731  161.800  -4.07   5.69   1.31   1.44 
1 1 1   16   14    4 o   9.7864   0.2505   10.474   55.500   0.85  -0.34   0.50   0.04 
1 1 1   16   14    5 o   5.9818   0.3547   5.2159 -38.1000   0.70  -0.52   0.47   0.05 
1 1 1   16   14    6 o   6.6454   0.3253   8.3724 -167.8000  -1.36  -0.26   0.54  -0.91 
1 1 1   16   14    7 f   10.466   0.2222   7.5769 -75.2000   0.07  -0.93  -0.07   0.31 
1 1 1   16   14    8 o   5.4910   0.3489   0.9956 -66.2000   0.85  -0.21   0.82  -0.24 
1 1 1   16   14    9 o   7.2168   0.3333   2.7570  111.400   0.26   1.54   0.34   0.38 
1 1 1   16   14   10 o   3.9967   0.4640   4.5522 -161.5000  -0.35  -0.97   0.23   0.12 
1 1 1   16   14   11 f   5.6198   0.5062   5.1454  125.400  -0.15   1.08   0.09  -0.07 
1 1 1   16   14   12 o   4.5541   0.5377   7.0156 -21.5000   1.10  -0.88   0.15   0.17 
1 1 1   16   14   13 o   9.9167   0.2869   10.236 -54.9000   0.61  -0.90   0.17  -0.12 
1 1 1   16   14   14 o   2.3144   0.7433   3.2131 -155.1000  -0.27  -0.94   0.18   0.10 
1 1 1   16   14   15 o   5.4430   0.6921   8.5483 -178.3000  -1.78  -2.36   0.29  -0.22 
1 1 1   16   14   16 f   3.1542   0.9278   5.8516   59.300   0.31   1.13   0.12   0.02 
1 1 1   16   14   17 o   7.7348   0.3243   7.1376   6.8000   1.33  -0.63  -0.17  -0.08 
1 1 1   16   14   18 o   4.2138   0.5174   2.3858 -83.1000  -0.04  -0.14  -0.00   0.01 
1 1 1   16   14   19 f   1.0309   0.9576   1.6881 -41.5000   0.11   0.12   0.02   0.02 
1 1 1   16   14   20 o   3.7925   0.6141   1.0964  124.700  -0.20   0.09   0.01  -0.02 
1 1 1   16   14   21 o   4.1492   0.7988   2.3218 -163.6000  -0.08   0.12   0.00  -0.00 
1 1 1   16   14   22 o   7.4766   1.4122   2.3638   94.600   0.51  -0.33   0.00   0.00 
1 1 1   16   16    0 o   3.4641   0.6569   6.4353  -0.0000   0.04   0.00   0.00   0.00 
1 1 1   16   16    1 o   5.4366   0.3958   2.9007  150.600  -0.46   0.34   0.11  -0.12 
1 1 1   16   16    2 o   4.3803   0.6799   4.0524  101.200   0.30   0.84   0.05  -0.01 
1 1 1   16   16    3 o   2.8176   1.2871   5.5336   36.700  -0.11   0.56   0.02   0.02 
1 1 1   16   16    4 o   4.0169   0.4053   2.3790  176.300  -0.22  -0.07   0.04   0.02 
1 1 1   16   16    5 o   4.3511   1.2677   5.8882 -128.2000  -3.39   4.73   0.51   0.71 
1 1 1   16   16    6 o   1.6000   0.8519   0.9187  150.000  -0.28   0.12   0.05   0.03 
1 1 1   16   16    7 o   0.0000   1.6924  ?   ?    0.39  -0.53   0.33  -0.03 
1 1 1   16   16    8 o   4.2132   0.4891   4.4152   44.400   0.73   0.10   0.07   0.20 
1 1 1   16   16    9 o   4.1141   0.4212   4.2296  157.300  -0.41  -0.20   0.02  -0.03 
1 1 1   16   16   10 o   5.3984   0.3632   8.8494 -170.6000  -0.75   0.20   0.06   0.11 
1 1 1   16   16   11 f   5.7623   0.4047   5.2194   37.800  -0.30   1.40  -0.01   0.20 
1 1 1   16   16   12 o   2.9351   0.5624   6.8888 -47.5000   0.34  -0.43   0.10  -0.07 
1 1 1   16   16   13 o   4.7360   0.4623   5.7813 -114.3000  -1.18   0.26   0.24   0.22 
1 1 1   16   16   14 o   3.5930   0.5773   3.6211  104.100  -0.53   0.21   0.02  -0.10 
1 1 1   16   16   15 o   1.4614   0.8717   3.2127 -66.8000   0.23  -0.00   0.06  -0.02 
1 1 1   16   16   16 o   3.9766   0.5040   4.3154 -77.8000   0.10  -0.11  -0.00  -0.01 
1 1 1   16   16   17 o   1.7980   1.0351   1.2387   73.400  -0.14   0.44   0.05  -0.03 
1 1 1   16   16   18 o   4.9039   0.6933   0.8202  130.500   0.02   0.04  -0.00   0.00 
1 1 1   16   18    0 o   4.8270   0.5124   7.2144  180.000  -0.06   0.00   0.00   0.00 
1 1 1   16   18    1 o   2.5169   0.9070   1.3291  111.500   0.40   1.18   0.04  -0.16 
1 1 1   16   18    2 o   5.6710   0.5733   5.8749   1.0000   2.26  -3.53   0.58   0.35 
1 1 1   16   18    3 o   4.2171   0.4796   2.6880 -70.9000   0.26  -0.43  -0.04   0.03 
1 1 1   16   18    4 o   3.0084   0.6686   3.7502  152.700  -1.46   2.32   0.62   0.30 
1 1 1   16   18    5 o   0.4411   0.8177   0.8083  112.600  -0.14  -0.32  -0.05  -0.04 
1 1 1   16   18    6 o   3.4818   0.7828   1.7192   36.400   1.37  -1.09   0.06   0.16 
1 1 1   16   18    7 f   7.1178   0.3340   6.2355  124.400  -0.36   0.37  -0.08  -0.06 
1 1 1   16   18    8 o   3.2166   0.5868   0.7842 -68.8000   0.01  -0.47   0.00   0.10 
1 1 1   16   18    9 o   9.1775   0.2569   8.2203 -112.9000   0.23  -0.23   0.02  -0.01 
1 1 1   16   18   10 o   4.0103   0.5447   0.4737 -128.4000   0.24   0.32   0.05   0.03 
1 1 1   16   18   11 o   9.9370   0.3005   10.515 -33.3000   0.27  -0.06   0.01  -0.01 
1 1 1   16   18   12 o   5.0339   0.5866   2.5857  174.200  -0.01   0.23  -0.00  -0.01 
1 1 1   16   18   13 o   11.979   0.4614   12.350   76.500   0.55   0.61  -0.03   0.02 
1 1 1   17    1    0 o   0.0000   3.0984   3.9535  -0.0000   0.00   0.00   0.00   0.00 
1 1 1   17    1    1 o   1.5196   0.9446   9.0382 -71.6000  -0.49   0.44  -0.04   0.13 
1 1 1   17    1    2 o   4.3747   0.5850   11.488  148.900  -0.08  -0.16   0.05  -0.00 
1 1 1   17    1    3 o   11.774   0.6725   11.292 -103.4000   3.00  -3.11  -0.08   0.53 
1 1 1   17    1    4 o   7.8866   0.3219   2.1750 -133.8000   0.29  -0.11   0.10   0.19 
1 1 1   17    1    5 o   10.968   0.2821   13.875   97.700   0.42  -0.03  -0.03  -0.01 
1 1 1   17    1    6 o   2.6600   0.6555   8.4620   1.0000  -0.00  -0.44   0.04  -0.02 
1 1 1   17    1    7 o   4.2127   0.5482   4.2077 -25.0000   0.15  -0.01   0.04  -0.06 
1 1 1   17    1    8 o   3.1351   0.5478   2.4072 -121.4000   0.20  -1.17   0.30   0.29 
1 1 1   17    1    9 o   6.7552   0.3828   3.9084  163.300  -0.45  -0.69   0.06  -0.05 
1 1 1   17    1   10 f   7.3699   0.6688   8.6596 -27.5000   2.30  -3.02   0.36   0.61 
1 1 1   17    1   11 o   1.0094   0.8620   4.2852  114.900   0.40  -0.03  -0.08   0.05 
1 1 1   17    1   12 o   3.4337   0.5827   4.9722   60.600   0.47  -0.35  -0.04   0.05 
1 1 1   17    1   13 o   5.6039   0.4538   5.4743   88.700   0.06  -0.47  -0.21   0.17 
1 1 1   17    1   14 o   5.1604   0.4258   2.3613   44.300   0.63   0.35  -0.18  -0.02 
1 1 1   17    1   15 f   4.9488   0.4652   2.1737 -81.7000   0.27   0.45  -0.26   0.32 
1 1 1   17    1   16 o   8.1480   0.6612   6.6975 -157.2000  -4.17  -0.72  -0.53   0.00 
1 1 1   17    1   17 o   0.0000   1.8371  ?   ?    0.51  -0.44  -0.12   0.11 
1 1 1   17    1   18 o   2.6582   1.2314   2.5721 -10.2000   2.08   1.64  -0.19  -0.35 
1 1 1   17    1   19 o   6.0730   0.7154   3.5994 -124.0000  -1.37  -0.30  -0.05  -0.07 
1 1 1   17    1   20 o   2.2384   0.7805   1.6800 -81.4000   1.06   0.24  -0.01  -0.35 
1 1 1   17    1   21 o   1.4037   0.9196   2.0789 -92.4000   0.21  -0.29   0.01  -0.07 
1 1 1   17    1   22 o   7.1529   0.3549   7.6374  140.100   0.52   0.97  -0.11  -0.08 
1 1 1   17    1   23 o   5.2119   0.4593   6.1163   84.300   0.07   0.82  -0.04  -0.09 
1 1 1   17    1   24 o   5.7946   0.7174   7.1045 -36.6000   0.41  -1.07  -0.00   0.05 
1 1 1   17    1   25 o   3.1384   0.7299   4.0586 -97.0000   0.21   0.05  -0.00   0.01 
1 1 1   17    1   26 o   3.6354   0.8750   4.2500   75.200   0.42   0.30  -0.02  -0.01 
1 1 1   17    1   27 o   4.9247   0.5521   1.9313   84.600  -0.15  -0.06   0.01  -0.00 
1 1 1   17    1   28 o   3.6441   1.0154   2.6388 -116.6000  -0.33  -0.08   0.00   0.01 
1 1 1   17    3    0 o   6.7971   0.5180   2.9041  180.000   0.20   0.00   0.00   0.00 
1 1 1   17    3    1 o   8.7901   0.3229   5.9703  109.700   0.35   0.30  -0.08  -0.04 
1 1 1   17    3    2 o   8.3924   1.2876   8.5981   88.800   6.88   8.60   0.12  -1.55 
1 1 1   17    3    3 o   3.3174   0.6484   7.9423 -147.3000  -0.50   0.85   0.10   0.09 
1 1 1   17    3    4 o   8.6738   0.3296   7.6305 -38.2000  -0.69  -1.33   0.03  -0.33 
1 1 1   17    3    5 o   8.4467   0.3078   5.0873 -44.1000   0.20   0.27   0.11   0.01 
1 1 1   17    3    6 o   3.6560   0.5586   4.1730 -168.5000   0.14   0.01   0.02   0.06 
1 1 1   17    3    7 o   2.2101   0.8040   5.1662 -82.3000  -0.37  -0.26  -0.07  -0.06 
1 1 1   17    3    8 o   6.0789   0.5054   5.1434 -48.6000   1.45  -3.34   0.39   0.77 
1 1 1   17    3    9 o   4.9077   0.4843   9.5708  141.400   1.17   0.34  -0.24  -0.04 
1 1 1   17    3   10 o   7.0924   0.3215   8.4737   29.800   0.09   1.85   0.75   0.44 
1 1 1   17    3   11 o   1.9297   0.9636   6.8638   70.100  -0.39   0.16  -0.02   0.03 
1 1 1   17    3   12 o   3.1628   0.5734   7.5693  122.900  -0.24   0.42   0.12   0.02 
1 1 1   17    3   13 o   3.1994   0.6770   3.0517   48.300   0.41  -0.04  -0.03   0.07 
1 1 1   17    3   14 f   9.9800   0.3916   4.7271 -82.1000   0.64  -1.96   0.37   0.03 
1 1 1   17    3   15 o   2.9679   0.6121   4.5339 -85.7000  -0.03  -0.21  -0.09   0.05 
1 1 1   17    3   16 o   6.5473   0.4130   2.6405   71.500  -0.60  -0.33   0.08  -0.11 
1 1 1   17    3   17 o   2.0939   1.0437   1.6797 -24.6000   0.92   0.10  -0.11   0.04 
1 1 1   17    3   18 o   8.3363   0.3276   9.9255 -113.0000  -0.51  -0.51   0.15   0.06 
1 1 1   17    3   19 o   5.5538   0.4562   6.5719 -150.9000   0.01  -1.19  -0.34   0.44 
1 1 1   17    3   20 o   5.4447   0.9326   5.9789   47.700   1.46   2.99   0.40  -0.10 
1 1 1   17    3   21 f   5.2962   0.4717   6.3554   53.400  -0.89   1.28  -0.17   0.15 
1 1 1   17    3   22 o   5.5225   0.3963   4.9521  128.500  -0.90  -0.11   0.25  -0.02 
1 1 1   17    3   23 o   4.6756   0.5606   6.0838 -59.6000  -0.20  -1.07  -0.00  -0.11 
1 1 1   17    3   24 o   7.7323   0.3744   4.7634 -72.0000   0.16  -1.30  -0.05  -0.16 
1 1 1   17    3   25 o   6.9138   0.4192   7.1011  139.800  -0.73   1.05  -0.15  -0.08 
1 1 1   17    3   26 o   6.3890   0.4835   5.5749   72.200   0.11   0.91  -0.10  -0.10 
1 1 1   17    3   27 o   4.2487   0.8370   4.0125 -67.3000  -0.09  -0.46  -0.02   0.02 
1 1 1   17    5    0 o   7.8930   0.4375   7.9209  -0.0000   0.22   0.00   0.00   0.00 
1 1 1   17    5    1 f   6.3255   0.4438   6.9863 -20.7000  -0.38  -0.09   0.13  -0.17 
1 1 1   17    5    2 o   19.328   0.2091   14.514   81.200  -0.96   0.48  -0.21  -0.62 
1 1 1   17    5    3 o   9.7502   0.5416   5.0701 -10.3000   3.00  -1.53  -0.39   0.29 
1 1 1   17    5    4 o   17.180   0.2033   9.5179 -66.0000  -0.36   0.89  -0.10   0.25 
1 1 1   17    5    5 o   12.201   0.3851   8.9133  142.700  -3.38   0.86  -0.64   0.09 
1 1 1   17    5    6 o   4.0577   0.5126   5.4961 -75.8000   0.33  -0.65   0.01   0.17 
1 1 1   17    5    7 o   12.692   0.4506   14.832 -27.4000  -1.25  -2.57   0.12  -0.63 
1 1 1   17    5    8 o   12.902   0.2035   9.4387   89.700   0.06  -0.06  -0.01  -0.00 
1 1 1   17    5    9 o   17.557   0.3776   17.511   98.600  -0.19   1.46   0.22  -0.12 
1 1 1   17    5   10 o   1.7890   0.7801   6.1554  119.000   0.27   0.04  -0.01  -0.09 
1 1 1   17    5   11 o   12.418   0.2492   8.3280 -158.5000  -0.15   0.27   0.02  -0.00 
1 1 1   17    5   12 f   3.4543   0.6169   6.3398 -164.4000  -1.42   0.31  -0.29  -0.00 
1 1 1   17    5   13 o   7.0910   0.3459   8.5613 -70.0000   0.30  -0.59   0.14  -0.02 
1 1 1   17    5   14 o   5.2065   0.5248   7.3679 -70.7000  -2.23   0.25  -0.37   0.32 
1 1 1   17    5   15 o   9.9579   0.2628   8.3003   59.600   0.21   0.80  -0.09  -0.16 
1 1 1   17    5   16 o   8.3802   0.3086   8.5571   38.500   0.01   1.59  -0.57   0.90 
1 1 1   17    5   17 o   14.176   0.2576   12.658 -107.7000  -1.65  -1.54  -0.69  -0.04 
1 1 1   17    5   18 o   7.5672   0.3485   6.1891 -139.2000   0.04  -1.88   0.16   0.47 
1 1 1   17    5   19 o   9.1257   0.3007   9.6219   92.600   0.00   1.66  -0.07  -0.38 
1 1 1   17    5   20 o   5.4566   0.4761   5.9869   43.400   0.66   0.13   0.00   0.09 
1 1 1   17    5   21 o   3.0154   1.2393   3.9107   8.0000   0.07  -0.39   0.01  -0.01 
1 1 1   17    5   22 o   1.4049   1.0338   4.2984 -86.6000   0.86  -0.31  -0.10  -0.00 
1 1 1   17    5   23 o   4.1057   0.5887   6.0372 -120.0000   0.21  -0.72   0.04  -0.05 
1 1 1   17    5   24 o   3.8684   0.6054   6.0283  135.800   0.33   0.49  -0.05   0.01 
1 1 1   17    5   25 o   4.8538   1.0063   5.1828   97.500   0.37   0.83  -0.00  -0.04 
1 1 1   17    5   26 o   5.9680   0.5731   1.2769 -11.6000  -0.11  -0.22  -0.00  -0.00 
1 1 1   17    5   27 o   5.4597   0.8161   3.9704 -49.0000   0.17  -0.21  -0.01  -0.00 
1 1 1   17    7    0 o   0.9487   1.0722   10.768   0.0000   0.08   0.00   0.00   0.00 
1 1 1   17    7    1 o   7.1475   0.6535   12.623 -25.9000   2.89   0.83  -0.26  -0.26 
1 1 1   17    7    2 o   15.044   0.1944   10.683   95.000   0.88   0.65  -0.33  -0.09 
1 1 1   17    7    3 o   4.7010   0.4758   10.555   52.000   0.58   0.37  -0.30  -0.06 
1 1 1   17    7    4 o   10.506   0.2605   6.6528 -86.6000  -0.71  -1.83   0.39  -0.10 
1 1 1   17    7    5 o   7.8524   0.3094   9.0128 -118.6000  -0.75   0.45   0.06   0.23 
1 1 1   17    7    6 o   12.817   0.2255   3.7866 -68.0000   0.15   0.06   0.01   0.02 
1 1 1   17    7    7 o   11.171   0.3420   6.7126   24.000  -1.54   5.61   0.81   0.99 
1 1 1   17    7    8 o   16.378   0.3664   11.118  128.900  -1.96   0.24  -0.15   0.59 
1 1 1   17    7    9 o   9.5495   0.4540   10.680   91.000  -3.62   3.38   0.49   1.36 
1 1 1   17    7   10 o   8.1627   0.3087   2.4492 -81.3000   0.58   1.81   0.56   0.06 
1 1 1   17    7   11 o   12.992   0.3628   8.9884 -125.1000  -2.79   4.37  -0.01   1.05 
1 1 1   17    7   12 o   11.281   0.2653   4.9170 -90.7000  -0.94  -1.59   0.28  -0.13 
1 1 1   17    7   13 o   6.7630   0.3992   6.0227 -125.4000  -2.01   0.50  -0.15   0.42 
1 1 1   17    7   14 o   12.496   0.2421   6.9094   67.300   0.38   0.70   0.10   0.09 
1 1 1   17    7   15 o   15.303   0.2012  10.0000   24.600   0.72   2.11   0.37   0.85 
1 1 1   17    7   16 o   11.199   0.2679   8.1915 -51.5000  -0.09  -0.33   0.01   0.02 
1 1 1   17    7   17 f   7.4833   0.3336   4.6723 -127.1000  -0.25  -0.42   0.05   0.08 
1 1 1   17    7   18 o   6.1541   0.3665   2.6931   87.600   0.09   0.62  -0.04  -0.08 
1 1 1   17    7   19 o   3.2346   1.0534   7.1598  124.000  -0.68  -0.56   0.05  -0.06 
1 1 1   17    7   20 o   2.2960   1.1101   2.5426  -6.3000   0.43  -0.11  -0.03  -0.02 
1 1 1   17    7   21 o   7.5533   0.3522   8.3320 -40.7000   1.26   0.02   0.15  -0.18 
1 1 1   17    7   22 o   5.4290   0.4439   5.3239 -179.5000  -0.43  -0.33   0.04  -0.00 
1 1 1   17    7   23 o   4.5849   0.6932   4.4662  144.200  -0.90   0.58  -0.08  -0.00 
1 1 1   17    7   24 o   0.0000   2.1272  ?   ?    0.17  -0.10   0.02  -0.02 
1 1 1   17    7   25 o   2.8019   0.9270   1.3530   59.500  -0.14  -0.55  -0.07  -0.03 
1 1 1   17    7   26 o   2.8154   1.2716   1.9845  117.700   0.08   0.27  -0.01   0.01 
1 1 1   17    9    0 o   8.3307   0.3840   3.3780 -180.0000   0.46   0.00   0.00   0.00 
1 1 1   17    9    1 o   5.3861   0.3771   2.5662  162.500   0.15  -0.14   0.01  -0.09 
1 1 1   17    9    2 o   5.9491   0.4708   8.8932   84.000   2.38   0.90  -0.45  -0.17 
1 1 1   17    9    3 f   6.1982   0.3455   4.8696 -63.9000  -0.40   0.09  -0.02   0.04 
1 1 1   17    9    4 o   8.4579   0.6549   4.8836 -17.1000   5.04  -4.67  -0.38   1.14 
1 1 1   17    9    5 o   3.6857   0.9594   2.9299   84.200   2.42  -1.17  -0.16   0.31 
1 1 1   17    9    6 o   5.0750   0.3823   4.3556 -168.0000   1.16   0.25  -0.30   0.07 
1 1 1   17    9    7 o   9.7561   0.3423   4.8706  100.500  -0.98   1.63   0.31   0.17 
1 1 1   17    9    8 o   9.2824   0.3285   4.5824 -168.4000   1.61  -1.82  -0.22   0.47 
1 1 1   17    9    9 o   3.0896   0.5656   4.7918  117.300  -0.10   0.04  -0.00   0.00 
1 1 1   17    9   10 o   7.9732   0.2720   7.0458 -63.4000   1.20   0.12   0.93   0.65 
1 1 1   17    9   11 o   13.015   0.2134   12.224 -105.6000   0.25  -0.92  -0.29   0.10 
1 1 1   17    9   12 o   3.7967   0.5511   3.0091  100.600  -0.56  -0.24   0.24   0.23 
1 1 1   17    9   13 o   10.497   0.2471   9.0550   48.500   0.07   2.01   0.18   0.77 
1 1 1   17    9   14 o   4.0338   1.3645   6.7083   37.400   1.15  -1.62   0.13   0.15 
1 1 1   17    9   15 o   6.9491   0.4847   5.7283 -106.6000   0.48  -2.45   0.13   0.29 
1 1 1   17    9   16 o   5.4820   0.4586   4.4559 -86.6000  -0.48   0.01   0.00  -0.04 
1 1 1   17    9   17 o   3.5470   0.6179   2.0294  172.700   0.40  -0.05   0.06   0.02 
1 1 1   17    9   18 o   0.6226   0.9113   2.5251 -175.4000  -0.00  -0.18  -0.00   0.01 
1 1 1   17    9   19 o   3.6039   1.6004   4.9503   80.000   0.33   1.17   0.04  -0.06 
1 1 1   17    9   20 o   7.2354   0.3511   4.1274 -18.7000   0.24  -0.40  -0.03   0.00 
1 1 1   17    9   21 o   3.0974   0.8818   2.6965 -47.4000   0.15   0.24  -0.00  -0.01 
1 1 1   17    9   22 o   3.5550   0.6555   3.0778  124.200  -0.03   0.41  -0.03  -0.05 
1 1 1   17    9   23 o   4.0275   0.7760   3.5759 -50.8000   0.82  -0.13  -0.05  -0.04 
1 1 1   17    9   24 o   7.1014   0.5563   1.4523 -89.8000   1.31  -0.43   0.00  -0.19 
1 1 1   17   11    0 o   2.9326   0.8345   1.9527 -180.0000   0.16   0.00   0.00   0.00 
1 1 1   17   11    1 o   4.9247   0.3616   5.7583 -15.1000   0.12  -0.90   0.22  -0.33 
1 1 1   17   11    2 o   6.1019   0.3997   3.7315 -70.3000  -1.20  -0.22  -0.25   0.33 
1 1 1   17   11    3 o   2.9599   0.6436   2.7513  163.200   0.34  -0.43   0.04   0.04 
1 1 1   17   11    4 o   2.9916   0.8714   5.3349   74.200  -1.07   1.06  -0.06   0.16 
1 1 1   17   11    5 o   7.0251   0.3644   4.4053  158.600  -1.20   0.12  -0.11  -0.05 
1 1 1   17   11    6 o   3.2659   0.5508   0.2130   58.300  -0.48   0.56   0.22   0.06 
1 1 1   17   11    7 o   7.6189   0.2945   3.8681   47.900  -0.47   0.04   0.17  -0.03 
1 1 1   17   11    8 f   6.6622   0.3060   4.5967   80.900   0.29   0.88   0.21   0.13 
1 1 1   17   11    9 o   0.0000   1.7344  ?   ?   -0.03   0.01  -0.00  -0.00 
1 1 1   17   11   10 o   8.9126   0.3479   9.7823 -114.0000   1.45  -1.13  -0.18   0.11 
1 1 1   17   11   11 o   3.0377   0.5383   1.6001  110.600   0.21  -0.33  -0.06   0.05 
1 1 1   17   11   12 f   9.5647   0.2911   5.2546   37.900   1.08   0.83  -0.25   0.30 
1 1 1   17   11   13 o   7.1665   0.3038   5.1018 -119.1000   0.24   0.98   0.09   0.16 
1 1 1   17   11   14 o   6.7988   0.6792   3.7420 -162.4000  -1.87   0.79   0.00   0.19 
1 1 1   17   11   15 o   4.6401   0.4843   4.3561 -70.6000  -0.32  -0.18  -0.02   0.01 
1 1 1   17   11   16 o   3.8198   0.5423   3.1478  -0.4000   0.45  -0.00   0.07   0.01 
1 1 1   17   11   17 o   7.5328   0.3621   8.1936   61.800  -0.02   0.76  -0.04   0.06 
1 1 1   17   11   18 o   4.5501   0.7587   3.1870 -109.1000  -0.58  -0.32   0.01  -0.02 
1 1 1   17   11   19 o   2.3988   0.7529   2.4661  135.400  -0.25  -0.06   0.02   0.01 
1 1 1   17   11   20 o   3.2842   0.6459   3.7920   80.600  -0.18   0.08   0.01   0.01 
1 1 1   17   11   21 o   4.3742   0.7217   1.9825 -93.8000   0.27   0.23  -0.01  -0.00 
1 1 1   17   11   22 o   4.6884   0.9487   3.4656 -88.2000  -0.04  -0.21  -0.00   0.00 
1 1 1   17   13    0 o   5.4498   0.5097   3.3222 -180.0000   0.29   0.00   0.00   0.00 
1 1 1   17   13    1 o   4.9489   0.4363   3.7882 -114.8000  -1.12  -0.66  -0.14  -0.07 
1 1 1   17   13    2 f   6.0081   0.3507   6.3505 -128.3000  -0.57  -0.53   0.14  -0.07 
1 1 1   17   13    3 o   6.9681   0.3159   8.2910   19.800   3.04  -1.97   0.43   1.23 
1 1 1   17   13    4 o   2.9665   0.6306   4.6111 -54.9000  -0.55  -0.43  -0.11  -0.02 
1 1 1   17   13    5 o   5.9740   0.3400   2.2292 -79.7000  -0.30  -0.86   0.08   0.29 
1 1 1   17   13    6 o   6.0506   0.3613   8.4280   20.300  -0.65   0.89  -0.06   0.09 
1 1 1   17   13    7 o   9.3376   0.4898   6.1545  117.500  -2.54   1.46  -0.22   0.11 
1 1 1   17   13    8 o   5.0894   0.3964   1.8514  133.600   0.17   0.41  -0.04  -0.03 
1 1 1   17   13    9 o   3.8447   0.5726   4.5314 -126.5000  -0.69  -0.33   0.19   0.14 
1 1 1   17   13   10 o   5.4524   0.3818   2.4349   86.000   0.12  -0.18  -0.01   0.00 
1 1 1   17   13   11 o   7.6736   0.2863   8.2322   11.000   1.80  -1.14   0.61   0.32 
1 1 1   17   13   12 f   6.7213   0.3484   3.3271 -151.3000  -0.59   0.04   0.04   0.06 
1 1 1   17   13   13 o   5.6322   0.8132   5.1415  179.800  -2.07   1.36   0.04   0.20 
1 1 1   17   13   14 o   4.1769   0.6017   0.7900 -15.1000   0.56  -0.86   0.09   0.01 
1 1 1   17   13   15 o   2.1028   0.8938   3.6668   59.200   0.32   0.21   0.04   0.00 
1 1 1   17   13   16 o   5.7733   0.3888   1.8732   56.700  -0.42   0.47  -0.02  -0.08 
1 1 1   17   13   17 f   1.8099   0.9222   1.2966 -177.3000  -0.17   0.11  -0.02  -0.00 
1 1 1   17   13   18 o   5.9888   0.4590   1.5354 -93.9000  -0.28  -0.74  -0.16   0.01 
1 1 1   17   13   19 o   5.4836   0.8446   4.0705  103.900  -0.08   0.05   0.00  -0.00 
1 1 1   17   13   20 o   8.2132   1.1232   1.4762 -19.4000   0.25   0.77  -0.01   0.01 
1 1 1   17   15    0 o   7.1344   0.3662   11.374  180.000  -0.56   0.00   0.00   0.00 
1 1 1   17   15    1 o   2.3702   0.6239   4.8479 -13.5000  -0.10   0.27  -0.02   0.02 
1 1 1   17   15    2 f   3.9041   1.1629   7.8621 -59.1000   1.23   0.01  -0.06  -0.03 
1 1 1   17   15    3 o   1.1548   0.8215   0.9021 -123.7000  -0.13  -0.49  -0.04  -0.13 
1 1 1   17   15    4 o   0.0000   1.7007  ?   ?    0.07  -0.02   0.00  -0.01 
1 1 1   17   15    5 o   2.3813   1.1409   2.0499 -126.4000   0.36  -0.12  -0.00   0.02 
1 1 1   17   15    6 o   2.9748   1.0651   4.6024   50.500   0.72  -0.88   0.06   0.07 
1 1 1   17   15    7 o   3.3448   1.5099   3.0561   60.600   0.39   1.82   0.11  -0.10 
1 1 1   17   15    8 o   5.9356   0.5644   5.1143 -136.1000  -0.95   2.25   0.32  -0.02 
1 1 1   17   15    9 f   3.9558   0.5257   2.9598   20.700   0.01  -0.03  -0.00  -0.00 
1 1 1   17   15   10 o   4.4831   0.4191   4.3705   23.400   0.51   0.97   0.18   0.13 
1 1 1   17   15   11 o   6.0903   0.3644   3.2576 -102.9000  -0.42  -0.45  -0.04   0.08 
1 1 1   17   15   12 o   3.1427   0.6334   1.1358 -49.5000  -0.39  -0.42   0.14   0.08 
1 1 1   17   15   13 o   1.9592   0.7844   4.2784   84.700   0.22   0.06   0.03   0.03 
1 1 1   17   15   14 o   3.7423   0.7316   5.6290   33.700   0.23   0.90   0.07   0.02 
1 1 1   17   15   15 o   4.3408   1.8299   2.2198   78.100   0.13   0.51   0.01  -0.01 
1 1 1   17   15   16 o   5.9808   0.5924   3.7055  170.600  -0.34  -0.30  -0.02   0.02 
1 1 1   17   17    0 o   0.0000   2.4495   0.6424   0.0000  -0.01   0.00   0.00   0.00 
1 1 1   17   17    1 f   3.3084   0.5014   3.9630 -42.1000   0.27  -0.53   0.13  -0.06 
1 1 1   17   17    2 f   3.6413   0.5411   2.6369  144.800  -0.91   0.29   0.00   0.16 
1 1 1   17   17    3 o   4.7024   0.4860   5.9201  142.400  -0.93   0.18  -0.08  -0.04 
1 1 1   17   17    4 o   3.8624   0.5448   2.6076   13.500   0.09   1.25   0.14   0.08 
1 1 1   17   17    5 o   3.4778   0.5529   1.1273 -86.6000  -0.28  -0.52  -0.04  -0.07 
1 1 1   17   17    6 o   2.6664   0.6568   3.3393 -127.5000   0.08  -0.03   0.00  -0.00 
1 1 1   17   17    7 o   5.1594   0.4594   3.0789 -68.0000  -0.34  -0.77   0.08   0.02 
1 1 1   17   17    8 o   4.5002   0.6641   3.7003 -91.1000   0.11   0.13  -0.00   0.01 
1 1 1   17   17    9 o   7.2429   0.5621   7.3832   44.400   0.83  -0.08   0.01   0.05 
1 1 1   17   17   10 o   6.1936   0.5674   3.5169  -0.5000  -0.62   0.56   0.07  -0.01 
1 1 1   18    0    0 o   9.8539   0.5880   7.3590  180.000  -0.34   0.00   0.00   0.00 
1 1 1   18    0    1 o   0.0000   2.4495   3.5644   90.000  -0.00  -0.01   0.00   0.00 
1 1 1   18    0    2 o   2.8983   1.1842   0.9408   0.0000   0.15   0.00   0.00   0.00 
1 1 1   18    0    3 o   1.9235   1.0067   0.1844 -90.0000  -0.00  -0.08   0.00   0.00 
1 1 1   18    0    4 o   7.3892   0.5817   10.778   0.0000  -0.14   0.00   0.00   0.00 
1 1 1   18    0    5 o   3.5917   0.6896   0.5032   90.000   0.00   0.31   0.00   0.00 
1 1 1   18    0    6 o   7.1764   0.5606   0.0356   0.0000   0.21   0.00   0.00   0.00 
1 1 1   18    0    7 o   5.9498   0.4878   3.5329 -90.0000  -0.00  -0.38   0.00   0.00 
1 1 1   18    0    8 o   3.7283   0.7097   4.1276  180.000  -0.05   0.00   0.00   0.00 
1 1 1   18    0    9 o   6.1644   0.6232   0.1445 -90.0000   0.00   0.25   0.00   0.00 
1 1 1   18    0   10 f   6.1887   0.4925   3.5170  180.000  -0.14   0.00   0.00   0.00 
1 1 1   18    0   11 o   9.8539   0.4229   5.4130   90.000  -0.00  -0.44   0.00   0.00 
1 1 1   18    0   12 f   3.4929   0.7508   3.9054  180.000   0.06   0.00   0.00   0.00 
1 1 1   18    0   13 o   2.6646   0.9187   1.8186   90.000   0.00   0.19   0.00   0.00 
1 1 1   18    0   14 o   2.1909   1.0010   1.2317   0.0000   0.09   0.00   0.00   0.00 
1 1 1   18    0   15 o   0.0000   2.6646   2.9996 -90.0000  -0.00  -0.11   0.00   0.00 
1 1 1   18    0   16 f   1.2649   1.2570   0.8376   0.0000  -0.15   0.00   0.00   0.00 
1 1 1   18    0   17 o   4.7749   0.7283   5.1038 -90.0000   0.00   0.09   0.00   0.00 
1 1 1   18    0   18 o   3.2711   0.9049   1.5061  180.000   0.27   0.00   0.00   0.00 
1 1 1   18    0   19 o   2.1909   1.1706   3.2084   90.000  -0.00  -0.00   0.00   0.00 
1 1 1   18    0   20 o   0.0000   2.8461   1.3145  180.000  -0.07   0.00   0.00   0.00 
1 1 1   18    0   21 o   4.2779   0.8285   6.7885   90.000   0.00   0.48   0.00   0.00 
1 1 1   18    0   22 o   6.5498   0.6309   8.8169   0.0000   0.07   0.00   0.00   0.00 
1 1 1   18    0   23 f   11.036   0.4229   10.532 -90.0000  -0.00  -1.05   0.00   0.00 
1 1 1   18    0   24 o   3.6469   1.0011   3.2518  180.000  -0.06   0.00   0.00   0.00 
1 1 1   18    0   25 o   9.4234   1.0917   6.1127   90.000   0.00   0.54   0.00   0.00 
1 1 1   18    2    0 o   20.105   0.3182   7.8567 -180.0000  -1.26   0.00   0.00   0.00 
1 1 1   18    2    1 o   6.3681   0.3652   2.9425 -127.9000  -0.18  -0.29  -0.10  -0.03 
1 1 1   18    2    2 o   10.168   0.4269   9.8823 -67.3000   3.57   1.21  -0.33  -0.83 
1 1 1   18    2    3 o   3.7865   0.6121   7.7419   57.800   0.35   0.92   0.04  -0.12 
1 1 1   18    2    4 o   4.6711   0.5808   4.6583   12.700   0.98  -0.22  -0.06   0.10 
1 1 1   18    2    5 o   4.4751   0.4872   5.3343 -111.6000   0.36  -0.55   0.16   0.03 
1 1 1   18    2    6 o   9.9989   0.7323   5.2909  144.300  -3.85   2.45  -0.06   0.56 
1 1 1   18    2    7 f   10.759   0.3395   5.5851  125.400   0.15   1.82   0.25  -0.27 
1 1 1   18    2    8 o   7.2828   0.6556   3.9076   15.900   4.16  -2.12  -0.24   1.17 
1 1 1   18    2    9 o   7.6525   0.4795   4.4531 -26.7000   2.22   1.53   0.04  -0.41 
1 1 1   18    2   10 f   8.8194   0.8907   5.2428  171.400  -7.69   6.67   0.31   2.07 
1 1 1   18    2   11 f   6.7479   0.3357   2.2939   57.200  -1.05  -0.05   0.11  -0.43 
1 1 1   18    2   12 o   5.2935   0.4303   1.1922 -132.7000   1.08   0.30  -0.02   0.63 
1 1 1   18    2   13 o   0.0000   1.9675  ?   ?    0.19  -0.07   0.00  -0.05 
1 1 1   18    2   14 o   1.7530   0.8705   3.9601 -109.4000   0.48  -0.59  -0.06   0.11 
1 1 1   18    2   15 f   3.7798   0.5364   4.5999  149.400  -0.16   0.07  -0.00  -0.02 
1 1 1   18    2   16 o   0.0000   1.9607  ?   ?    0.08   0.22  -0.04   0.00 
1 1 1   18    2   17 f   3.9250   1.7411   2.3576 -90.0000   0.58  -0.19  -0.02   0.00 
1 1 1   18    2   18 o   5.4375   1.3241   3.7585   85.600   2.27   0.48  -0.07  -0.13 
1 1 1   18    2   19 o   3.4115   0.6884   2.9441   50.300   0.16   0.16  -0.01   0.01 
1 1 1   18    2   20 o   4.1002   0.6147   3.7062  120.400  -0.41   0.99   0.06  -0.14 
1 1 1   18    2   21 o   3.9130   0.6307   0.9084   53.700  -0.01   0.38  -0.01  -0.02 
1 1 1   18    2   22 o   9.6902   0.3208   10.800 -51.1000   1.88  -0.47   0.20  -0.24 
1 1 1   18    2   23 o   5.2586   0.5627   4.9908 -154.9000   0.12  -0.22   0.01  -0.01 
1 1 1   18    2   24 o   9.1290   0.4404   6.6244  121.700  -0.86   1.15  -0.08  -0.18 
1 1 1   18    2   25 o   6.4404   0.7070   2.7070   10.200   0.20  -0.56  -0.02   0.01 
1 1 1   18    4    0 o   1.0954   1.1224   2.7186  180.000  -0.02   0.00   0.00   0.00 
1 1 1   18    4    1 o   5.1055   0.4179   1.6650  125.100  -0.29   0.11   0.13   0.02 
1 1 1   18    4    2 o   4.1884   0.4828   3.6554 -93.3000  -0.23   0.05  -0.01   0.01 
1 1 1   18    4    3 o   7.5096   0.3288   3.0309  176.700   0.24  -0.08   0.00   0.02 
1 1 1   18    4    4 o   0.0000   1.8158  ?   ?    0.02  -0.20  -0.14  -0.09 
1 1 1   18    4    5 o   2.3042   0.7132   3.7912  136.600  -0.07  -0.09   0.01   0.02 
1 1 1   18    4    6 o   12.155   0.2131   7.8387   92.600  -4.30   0.38  -1.46  -0.77 
1 1 1   18    4    7 o   5.5103   0.3810   2.7065  108.000   0.45  -0.02   0.16   0.19 
1 1 1   18    4    8 o   9.2551   0.3811   10.589 -106.6000  -0.31  -1.97   0.25  -0.46 
1 1 1   18    4    9 o   5.0665   0.4786   6.9947 -95.5000   0.09  -0.40  -0.08   0.09 
1 1 1   18    4   10 o   4.4487   0.7427   2.6200   42.600   0.46   2.50   0.25  -0.28 
1 1 1   18    4   11 o   5.4289   0.8650   7.1936 -17.5000   2.76   0.87  -0.30  -0.06 
1 1 1   18    4   12 o   4.6381   0.4628   5.9021  -2.0000   0.71  -0.10  -0.02  -0.23 
1 1 1   18    4   13 f   3.0473   1.3922   1.3844 -155.6000   1.22  -0.86  -0.13   0.12 
1 1 1   18    4   14 o   1.7202   0.9322   4.2675  164.200  -0.26   0.15  -0.04  -0.02 
1 1 1   18    4   15 o   2.8913   0.6203   6.4714  119.200  -0.00   0.78  -0.01   0.19 
1 1 1   18    4   16 o   0.8158   0.9652   2.5783 -146.0000   0.15  -0.21  -0.01   0.01 
1 1 1   18    4   17 o   3.3606   0.6727   2.2040   53.400  -0.04  -0.83  -0.07   0.14 
1 1 1   18    4   18 o   3.0657   0.7203   4.3045   66.000   0.18  -0.44   0.02  -0.04 
1 1 1   18    4   19 o   2.4875   1.1727   1.5969   9.6000   1.13   0.30  -0.11   0.01 
1 1 1   18    4   20 o   0.0000   1.9492  ?   ?   -0.12  -0.09   0.01   0.00 
1 1 1   18    4   21 o   5.1931   0.6984   3.4133 -103.2000  -0.50  -0.91  -0.04  -0.05 
1 1 1   18    4   22 o   2.2134   0.9299   1.5800   78.800  -0.27   0.36  -0.05   0.01 
1 1 1   18    4   23 o   7.5083   0.4552   5.8364  117.500  -0.33   0.53  -0.04  -0.02 
1 1 1   18    4   24 o   4.0407   0.8100   2.8991 -12.6000  -0.13  -0.30  -0.01   0.01 
1 1 1   18    6    0 f   2.2361   0.8447   3.9494  180.000  -0.14   0.00   0.00   0.00 
1 1 1   18    6    1 o   11.057   0.5221   15.883  146.700   1.79   6.22   0.90  -1.44 
1 1 1   18    6    2 o   3.9298   0.4540   2.5411  -8.8000   0.24  -0.46   0.20  -0.40 
1 1 1   18    6    3 o   11.478   0.2122   9.0550 -133.4000   0.42  -1.00  -0.98  -0.30 
1 1 1   18    6    4 o   4.1242   0.4874   3.6812  149.300  -0.48   0.95   0.20   0.06 
1 1 1   18    6    5 o   8.5945   0.2571   7.2687   44.500   0.55   0.29  -0.18   0.25 
1 1 1   18    6    6 o   2.6734   0.6850   1.9377  151.300   0.11   0.14   0.01   0.06 
1 1 1   18    6    7 o   5.0379   0.4320   8.5250 -137.4000  -1.40  -0.38  -0.31   0.12 
1 1 1   18    6    8 o   0.0000   1.7607  ?   ?    0.03  -0.05   0.00  -0.00 
1 1 1   18    6    9 o   5.6149   1.0613   3.5513 -70.0000   3.60  -0.46  -0.32   0.26 
1 1 1   18    6   10 o   1.5110   0.9304   3.3052  -8.1000  -0.04   0.10   0.00  -0.01 
1 1 1   18    6   11 o   0.2553   0.6888   2.7825   7.8000  -0.21  -0.13  -0.03   0.09 
1 1 1   18    6   12 o   2.1858   1.0446   1.0693 -38.2000   0.33  -0.24  -0.01   0.01 
1 1 1   18    6   13 o   1.6981   0.8366   4.4423   57.300  -0.01   0.23  -0.03   0.03 
1 1 1   18    6   14 o   0.5867   0.8848   3.0061   77.700  -0.17   0.21  -0.04   0.00 
1 1 1   18    6   15 o   4.2470   0.8330   4.3186  174.300  -0.55  -0.10  -0.02   0.01 
1 1 1   18    6   16 f   1.3491   0.9074   3.9476  175.500  -0.09  -0.35  -0.06  -0.00 
1 1 1   18    6   17 o   3.3542   0.8080   3.6604   98.700  -0.23  -0.08   0.00  -0.01 
1 1 1   18    6   18 o   2.4639   1.1532   1.5160 -31.1000   0.53   0.05  -0.01   0.05 
1 1 1   18    6   19 o   3.0726   1.3940   6.9258 -43.7000   0.83   0.52   0.02  -0.07 
1 1 1   18    6   20 o   4.4649   0.5456   5.3397 -138.2000  -0.74  -0.61  -0.05   0.14 
1 1 1   18    6   21 o   6.0350   0.4203   6.7540  140.700  -0.83   0.01   0.07  -0.14 
1 1 1   18    6   22 o   0.0000   2.0118  ?   ?   -0.01   0.36  -0.07   0.05 
1 1 1   18    6   23 o   3.7103   0.7906   3.8064   2.6000   0.36  -0.24   0.01  -0.03 
1 1 1   18    8    0 o   1.6733   1.0779   6.9156  180.000  -0.08   0.00   0.00   0.00 
1 1 1   18    8    1 o   2.0329   0.7584   5.0397   46.400   0.29   0.06   0.03   0.09 
1 1 1   18    8    2 o   1.5655   0.7468   2.1627 -10.2000   0.08  -0.13   0.01  -0.04 
1 1 1   18    8    3 f   4.9601   0.4153   5.3772 -145.8000  -0.49  -1.08   0.25   0.02 
1 1 1   18    8    4 o   2.8080   0.6454   1.5744  -9.8000  -0.11   0.11  -0.02  -0.02 
1 1 1   18    8    5 o   3.8374   0.5256   0.4792 -12.6000   1.27   0.20  -0.11  -0.15 
1 1 1   18    8    6 o   5.1321   0.5001   2.7371 -60.6000  -0.44  -0.18  -0.02   0.09 
1 1 1   18    8    7 o   1.7176   0.8779   2.6098  139.500   0.03  -0.20   0.01   0.01 
1 1 1   18    8    8 o   5.0386   0.4261   5.7403   48.400   0.47   0.51   0.00   0.33 
1 1 1   18    8    9 o   9.7170   0.2998   7.2983 -66.6000   1.79  -0.81   0.22   0.45 
1 1 1   18    8   10 o   6.8491   0.5363   4.2594  162.000  -2.80   0.38  -0.27   0.37 
1 1 1   18    8   11 o   9.0114   0.2560   7.6718   76.000  -0.75   0.76   0.22  -0.10 
1 1 1   18    8   12 f   4.1027   0.5708   0.7904 -118.6000  -1.10   1.02  -0.16   0.11 
1 1 1   18    8   13 o   0.0000   1.7805  ?   ?   -0.01  -0.01   0.00   0.00 
1 1 1   18    8   14 o   2.0082   0.9558   4.3915 -118.1000   0.22  -0.70   0.00   0.08 
1 1 1   18    8   15 o   2.7310   0.6600   4.0440 -156.7000   0.27   0.05   0.01  -0.02 
1 1 1   18    8   16 o   3.6390   0.5515   5.3048  104.100   0.19   0.52  -0.02   0.09 
1 1 1   18    8   17 o   2.9435   0.7389   5.4761   66.200   0.03   0.55  -0.01  -0.04 
1 1 1   18    8   18 o   2.5667   1.2076   4.6132 -27.6000   0.91  -0.17  -0.07  -0.06 
1 1 1   18    8   19 o   4.3889   0.6079   3.2250 -90.8000   1.09  -0.66  -0.12  -0.04 
1 1 1   18    8   20 o   6.9693   0.3869   5.0658  158.100  -0.88   0.43   0.03  -0.21 
1 1 1   18    8   21 o   3.6580   0.8603   1.5325  117.000   0.07   0.35   0.00   0.02 
1 1 1   18    8   22 o   7.0623   0.6533   1.6575 -35.9000   0.15  -0.87   0.02  -0.03 
1 1 1   18   10    0 o   0.0000   2.6833   7.3819  -0.0000   0.16   0.00   0.00   0.00 
1 1 1   18   10    1 o   4.1529   0.4213   2.3321  177.600   0.50   1.59   0.09  -0.37 
1 1 1   18   10    2 o   2.7376   0.6361   4.8219 -166.7000  -0.35   0.17  -0.02  -0.13 
1 1 1   18   10    3 o   5.3453   0.3916   1.8537 -55.7000   0.14  -0.48   0.00  -0.13 
1 1 1   18   10    4 o   2.7530   0.9015   3.6335 -101.8000   0.20  -0.27  -0.00   0.01 
1 1 1   18   10    5 f   5.4414   0.4741   2.0095   64.600  -0.07  -0.65  -0.04   0.09 
1 1 1   18   10    6 o   0.9414   0.8361   1.0983   94.000   0.04   0.00  -0.00   0.00 
1 1 1   18   10    7 o   5.6396   0.4251   1.3164 -77.4000   0.02   0.17  -0.01   0.00 
1 1 1   18   10    8 o   2.6589   0.6276   5.2339 -54.1000   0.30  -0.14  -0.00  -0.06 
1 1 1   18   10    9 o   3.6139   0.5646   3.0135  -6.4000   0.16  -0.25   0.02  -0.02 
1 1 1   18   10   10 o   5.1683   0.3896   7.5848   92.800  -0.33   0.29   0.04  -0.06 
1 1 1   18   10   11 o   2.6252   1.2176   1.3391   71.100   0.52   0.29  -0.05   0.00 
1 1 1   18   10   12 o   5.9378   0.6170   2.8027 -117.6000   0.25  -0.13   0.00   0.00 
1 1 1   18   10   13 o   0.6563   0.8750   1.6058 -87.3000  -0.21  -0.18  -0.03   0.03 
1 1 1   18   10   14 o   2.9267   0.6228   0.6250 -34.4000   0.04  -0.03  -0.00  -0.00 
1 1 1   18   10   15 f   4.8278   0.5167   9.9115  103.200   0.33   1.02  -0.15  -0.06 
1 1 1   18   10   16 o   3.5834   0.5924   2.8141   82.800   0.07   0.29  -0.02  -0.01 
1 1 1   18   10   17 o   4.2157   0.5519   5.9121 -94.2000  -0.95  -0.63  -0.17   0.00 
1 1 1   18   10   18 o   4.2513   0.6737   1.7923 -164.9000   0.11  -0.28  -0.02   0.01 
1 1 1   18   10   19 o   2.9781   0.9908   1.3854 -45.9000   0.17   0.42  -0.01   0.04 
1 1 1   18   10   20 o   5.5796   0.6182   1.6293 -86.3000   0.24   0.27   0.01   0.01 
1 1 1   18   12    0 o   2.1679   0.9848   2.6741  180.000  -0.32   0.00   0.00   0.00 
1 1 1   18   12    1 o   0.0000   1.6355  ?   ?   -0.11   0.09   0.01  -0.04 
1 1 1   18   12    2 o   5.4559   0.4254   5.8355   30.000   0.78   1.39   0.34   0.31 
1 1 1   18   12    3 o   3.2170   0.6406   0.7474   11.300   0.08  -0.19  -0.01  -0.01 
1 1 1   18   12    4 o   1.0374   0.8964   3.4697  176.200  -0.57  -0.31   0.01  -0.08 
1 1 1   18   12    5 o   3.4635   1.5639   1.8441 -142.1000   0.19   0.17  -0.00  -0.00 
1 1 1   18   12    6 o   4.2164   1.0435   6.5944 -158.0000  -0.68  -0.01  -0.02   0.01 
1 1 1   18   12    7 o   2.5156   0.6217   2.6546 -53.5000  -0.13  -0.29  -0.05   0.02 
1 1 1   18   12    8 o   3.3188   0.5787   4.6453 -23.8000  -0.12  -0.45  -0.07  -0.01 
1 1 1   18   12    9 o   3.2522   0.6551   4.9716   66.100   0.09   0.37  -0.03   0.03 
1 1 1   18   12   10 o   3.7227   0.8696   0.7480   64.800   0.59  -0.11  -0.01   0.02 
1 1 1   18   12   11 o   5.6380   0.5089   4.3812 -148.0000   0.56   0.16   0.00  -0.02 
1 1 1   18   12   12 o   3.8967   0.5698   1.4252   46.300   0.09  -0.13   0.00  -0.00 
1 1 1   18   12   13 o   2.0346   0.7594   0.7019  129.600  -0.07   0.07   0.00  -0.00 
1 1 1   18   12   14 o   5.5509   0.4597   3.6210   81.600  -0.46   0.47   0.00  -0.14 
1 1 1   18   12   15 o   4.7649   0.5268   2.6827   16.000  -0.37  -0.17   0.01  -0.02 
1 1 1   18   12   16 o   7.8548   0.4477   6.2087 -114.8000   0.24  -1.11  -0.04  -0.14 
1 1 1   18   12   17 o   5.0241   0.6101   2.1586 -175.1000  -0.03  -0.18   0.00   0.00 
1 1 1   18   14    0 o   4.9800   0.6126   8.1063  -0.0000   0.25   0.00   0.00   0.00 
1 1 1   18   14    1 o   4.1186   0.5063   4.4751  100.200   1.00   0.57   0.23  -0.06 
1 1 1   18   14    2 o   3.9570   0.5085   5.6818   95.400   0.61   0.81  -0.12  -0.06 
1 1 1   18   14    3 f   3.1226   0.5504   5.8633 -120.1000  -0.35  -0.19   0.04  -0.01 
1 1 1   18   14    4 o   3.5292   0.5283   3.7685  179.200   0.00   0.27  -0.02  -0.01 
1 1 1   18   14    5 f   4.1533   0.5345   4.0706   94.600   0.03   0.35  -0.00  -0.01 
1 1 1   18   14    6 o   3.9558   0.5736   1.8629 -162.6000   0.91  -0.38  -0.06  -0.01 
1 1 1   18   14    7 o   3.2766   1.0205   0.9161  152.800   0.27  -0.23  -0.01   0.01 
1 1 1   18   14    8 o   6.4148   0.3557   3.1236   24.300  -0.09  -0.10   0.00   0.01 
1 1 1   18   14    9 o   2.4329   0.7574   1.5500 -87.5000   0.18   0.17   0.02   0.01 
1 1 1   18   14   10 o   2.1864   0.7822   1.1155 -53.4000   0.06  -0.12  -0.01   0.00 
1 1 1   18   14   11 o   4.1248   0.6323   2.4551 -109.4000  -0.08  -0.12  -0.01   0.00 
1 1 1   18   14   12 o   5.9005   0.8537   5.5986  138.000  -0.12   0.70   0.01   0.02 
1 1 1   18   14   13 o   6.2821   0.5400   3.6887   65.300  -0.62   0.11  -0.00  -0.04 
1 1 1   18   16    0 o   6.5803   0.5455   3.2063   0.0000   0.09   0.00   0.00   0.00 
1 1 1   18   16    1 o   4.1595   0.7377   4.8810  158.100  -0.74   0.50   0.07   0.05 
1 1 1   18   16    2 o   4.6719   0.5917   1.4958 -110.3000   0.08   0.25  -0.02   0.00 
1 1 1   18   16    3 o   3.6535   0.6045   2.8612 -34.0000   0.23   0.05   0.02  -0.01 
1 1 1   18   16    4 f   4.7644   0.6312   1.2261  128.100   0.22   0.24  -0.01  -0.00 
1 1 1   18   16    5 o   4.3134   0.6934   2.2738   18.500   0.26   0.34  -0.03   0.01 
1 1 1   18   16    6 o   5.4276   1.0374   1.1222   14.100  -0.20  -0.05   0.00   0.00 
1 1 1   19    1    0 o   5.2915   0.6293   5.6792  -0.0000   0.72   0.00   0.00   0.00 
1 1 1   19    1    1 o   3.0598   1.1746   4.7727 -177.6000  -1.15   1.84   0.31   0.24 
1 1 1   19    1    2 o   1.2775   0.9493   3.3237  123.500  -0.36   0.10   0.13  -0.06 
1 1 1   19    1    3 o   2.8895   0.7195   5.6708   1.8000   0.43   0.75   0.17   0.34 
1 1 1   19    1    4 o   6.8415   0.2979   4.6526 -120.9000  -0.14  -0.94   0.01  -0.20 
1 1 1   19    1    5 o   0.0000   2.0177  ?   ?   -0.16  -0.39   0.06   0.15 
1 1 1   19    1    6 o   1.5589   0.8161   6.0087  122.900  -0.09   0.32   0.02  -0.09 
1 1 1   19    1    7 o   0.0000   1.8467  ?   ?    0.42  -0.15   0.00   0.09 
1 1 1   19    1    8 f   1.9147   0.9519   5.0910 -45.6000   0.53   0.25  -0.00  -0.05 
1 1 1   19    1    9 o   2.8303   1.2935   3.0986 -159.3000  -1.42   0.66  -0.06   0.14 
1 1 1   19    1   10 o   1.4419   0.9533   2.5418  150.900   0.30   0.04  -0.02   0.01 
1 1 1   19    1   11 o   0.0000   1.9708  ?   ?    0.27  -0.19   0.01   0.02 
1 1 1   19    1   12 o   3.7120   0.6927   3.0531 -55.9000   0.29  -0.62  -0.04   0.04 
1 1 1   19    1   13 o   5.5111   0.4167   7.0557 -121.3000  -0.56   0.19  -0.02  -0.04 
1 1 1   19    1   14 o   5.4576   0.4026   4.0964   99.200  -0.24   0.89  -0.19  -0.05 
1 1 1   19    1   15 o   6.1145   0.3989   1.2641   14.800  -0.07  -0.16  -0.00  -0.00 
1 1 1   19    1   16 o   4.9042   0.9806   1.8094 -25.7000   1.61   0.60  -0.01  -0.10 
1 1 1   19    1   17 o   6.1001   0.4282   6.6456   78.600   0.05  -0.16  -0.00   0.00 
1 1 1   19    1   18 f   0.4861   0.8821   1.3404 -139.7000  -0.30   0.08   0.01  -0.03 
1 1 1   19    1   19 o   2.1839   1.0826   0.5871 -93.4000   0.21  -0.08   0.00   0.01 
1 1 1   19    1   20 o   6.1965   0.5148   4.1492 -55.4000   0.47  -0.31  -0.02  -0.03 
1 1 1   19    1   21 o   5.0829   0.6465   6.3552 -106.1000  -0.56  -0.36  -0.02   0.05 
1 1 1   19    3    0 o   4.5607   0.6303   5.2604  180.000  -0.36   0.00   0.00   0.00 
1 1 1   19    3    1 o   3.3125   0.5652   2.3951   21.200   0.17  -0.01   0.01  -0.02 
1 1 1   19    3    2 o   4.0564   0.5875   4.1887  -7.6000   0.99   0.53   0.29  -0.19 
1 1 1   19    3    3 o   6.2457   0.3678   3.4455 -67.6000   0.06   1.35   0.11   0.09 
1 1 1   19    3    4 o   2.8762   0.8260   6.5490  152.100  -0.23   1.40   0.26  -0.16 
1 1 1   19    3    5 o   5.6097   0.3805   2.9932   69.700  -0.37  -0.54   0.08  -0.00 
1 1 1   19    3    6 o   3.8275   0.5175   8.9833 -35.5000   0.58   0.52   0.22   0.00 
1 1 1   19    3    7 o   0.0000   1.9172  ?   ?    0.01  -0.03   0.00  -0.00 
1 1 1   19    3    8 o   0.0000   1.8639  ?   ?   -0.25  -0.02   0.09   0.02 
1 1 1   19    3    9 o   3.4295   1.5204   5.0248  141.100  -0.59  -0.87   0.03  -0.03 
1 1 1   19    3   10 o   3.3751   0.6205   3.1927   62.700   0.65   0.68   0.14  -0.02 
1 1 1   19    3   11 o   3.1146   1.0622   1.2607 -34.2000  -0.58  -1.14  -0.03  -0.15 
1 1 1   19    3   12 o   7.9631   0.3098   5.8842 -138.4000  -0.61  -1.41   0.16   0.26 
1 1 1   19    3   13 o   7.3522   1.0088   7.1702  145.500  -6.13   0.21  -0.57  -0.35 
1 1 1   19    3   14 o   7.4809   0.3335   4.8108   47.000   1.07   0.61  -0.12   0.13 
1 1 1   19    3   15 o   10.184   0.3292   8.6918 -55.2000   3.08  -2.19  -0.65  -0.11 
1 1 1   19    3   16 o   2.0372   0.8034   0.8440   67.000   0.00  -0.19  -0.01  -0.01 
1 1 1   19    3   17 o   5.1483   0.4629   4.1043   99.500   0.17   1.11  -0.19   0.03 
1 1 1   19    3   18 o   2.6794   0.7723   1.6584 -76.7000  -0.06   0.30  -0.02  -0.01 
1 1 1   19    3   19 o   3.4153   0.6650   3.2604 -113.3000   0.26  -0.40  -0.06  -0.01 
1 1 1   19    3   20 o   3.2775   0.7873   2.0337 -112.4000  -0.20  -0.24  -0.01   0.01 
1 1 1   19    3   21 f   6.2003   0.5665   1.3288   90.900  -0.42   0.48  -0.03  -0.01 
1 1 1   19    5    0 o   5.0100   0.5298   0.4839   0.0000   0.29   0.00   0.00   0.00 
1 1 1   19    5    1 o   8.5551   0.5684   13.439 -37.2000   1.19  -4.62   1.03  -0.49 
1 1 1   19    5    2 o   9.1577   0.2752   6.0815 -121.5000  -1.13  -0.14   0.32   0.32 
1 1 1   19    5    3 o   7.3103   0.3297   8.5212  104.100  -0.54   1.15   0.04  -0.61 
1 1 1   19    5    4 o   7.6685   0.3411   4.2228   26.000   1.00  -0.14   0.02   0.16 
1 1 1   19    5    5 o   3.6491   1.1425   6.1930 -43.9000  -0.68  -1.86   0.08  -0.20 
1 1 1   19    5    6 o   2.8531   0.6368   4.7427 -73.6000   0.13  -0.04  -0.00  -0.01 
1 1 1   19    5    7 o   0.5892   0.9469   3.0225  135.100  -0.74  -0.40   0.09  -0.13 
1 1 1   19    5    8 o   1.1682   1.0292   6.0622  112.000   0.11   0.45   0.00  -0.04 
1 1 1   19    5    9 o   4.6749   0.4389   2.0579   29.900   0.61  -0.04   0.12  -0.06 
1 1 1   19    5   10 o   2.8069   0.6407   2.2762 -72.6000   0.39  -0.38  -0.06  -0.10 
1 1 1   19    5   11 o   6.4151   0.4908   5.4442 -179.8000  -0.75   0.14   0.01   0.04 
1 1 1   19    5   12 o   4.6402   0.4942   5.1280  159.600  -0.78  -0.24   0.02  -0.06 
1 1 1   19    5   13 o   3.6676   0.9177   3.7280   42.600   0.04   0.59   0.02   0.01 
1 1 1   19    5   14 o   4.9415   0.4414   2.9577 -35.5000   0.59   0.11   0.03  -0.04 
1 1 1   19    5   15 o   5.1918   0.4766   4.4153 -58.4000  -0.45  -0.49   0.03   0.06 
1 1 1   19    5   16 o   2.9070   0.6512   1.6867   21.100  -0.15   0.54  -0.07  -0.04 
1 1 1   19    5   17 f   3.2132   0.9619   0.2584   95.600   1.01   0.13  -0.03   0.08 
1 1 1   19    5   18 f   4.4127   0.6071   2.8755 -96.5000  -0.11  -0.62  -0.09   0.03 
1 1 1   19    5   19 o   5.3856   1.0527   5.0722 -178.4000  -0.82  -0.02  -0.02   0.02 
1 1 1   19    5   20 o   4.9157   0.6543   5.5324   84.100  -0.09   0.94  -0.05   0.07 
1 1 1   19    7    0 o   3.7550   0.7340   7.5351   0.0000   0.21   0.00   0.00   0.00 
1 1 1   19    7    1 o   3.9710   0.9053   4.4107 -91.1000  -0.33  -1.07   0.07   0.00 
1 1 1   19    7    2 f   3.4098   0.6210   5.4482 -156.9000  -0.79   0.68   0.16   0.06 
1 1 1   19    7    3 o   4.5906   0.6848   6.6482   41.100   0.98   1.71   0.20  -0.06 
1 1 1   19    7    4 o   3.1123   0.6572   3.6375   28.800   0.78   0.31   0.23   0.03 
1 1 1   19    7    5 o   1.6545   0.8700   3.6663 -134.9000  -0.13  -0.41   0.04   0.02 
1 1 1   19    7    6 o   2.2531   0.8800   5.3351  157.700  -0.34  -0.50   0.05  -0.01 
1 1 1   19    7    7 f   3.2787   0.7191   2.4815   68.300   0.99   0.40  -0.10   0.03 
1 1 1   19    7    8 o   3.1800   0.6017   4.2260 -114.1000   0.27   0.04   0.03   0.01 
1 1 1   19    7    9 o   3.2842   0.5958   2.4822   95.200  -0.26  -0.33  -0.04   0.04 
1 1 1   19    7   10 o   3.9273   0.5772   0.7914 -67.3000  -0.42   0.48   0.06  -0.02 
1 1 1   19    7   11 o   5.1106   0.5204   3.1650 -125.2000   0.22   0.04   0.00   0.01 
1 1 1   19    7   12 o   3.1954   0.6245   3.7933   1.2000   0.44  -0.40  -0.02  -0.09 
1 1 1   19    7   13 o   3.3279   0.6979   3.3638 -85.0000   0.27  -0.34  -0.03  -0.01 
1 1 1   19    7   14 o   0.4430   0.8251   2.8304  146.600   0.01   0.37  -0.02  -0.05 
1 1 1   19    7   15 o   3.1087   0.6295   4.0519   61.100  -0.13   0.44  -0.02  -0.04 
1 1 1   19    7   16 f   0.0000   1.8557  ?   ?    0.00  -0.18   0.00  -0.01 
1 1 1   19    7   17 o   5.6474   0.5465   3.8115 -97.2000  -0.17  -0.77  -0.00  -0.04 
1 1 1   19    7   18 o   5.5929   0.8598   5.0870  152.400  -0.62  -0.08  -0.00  -0.02 
1 1 1   19    7   19 o   7.3661   0.6428   2.1876   82.400  -0.55   1.18  -0.09   0.01 
1 1 1   19    9    0 o   4.1952   0.6083   0.2051  -0.0000  -0.49   0.00   0.00   0.00 
1 1 1   19    9    1 o   4.5113   0.4673   3.6368 -167.6000  -0.12  -0.27  -0.01   0.02 
1 1 1   19    9    2 o   3.9532   1.0540   3.0016 -88.1000  -0.61  -1.28   0.00  -0.10 
1 1 1   19    9    3 o   1.2725   0.9433   2.3411   89.100   0.02   0.28   0.00   0.03 
1 1 1   19    9    4 o   3.1250   0.6452   3.7568   94.000  -0.12   0.17  -0.01  -0.01 
1 1 1   19    9    5 o   4.6616   0.6050   0.3527   35.100  -0.14  -1.02   0.04   0.07 
1 1 1   19    9    6 o   1.6142   0.8587   1.3184  10.0000   0.38  -0.08   0.06   0.01 
1 1 1   19    9    7 o   2.9313   1.3482   2.0289 -57.1000  -0.11   1.12   0.06   0.09 
1 1 1   19    9    8 o   3.5059   0.5907   6.9423  158.500  -0.55  -0.29   0.09   0.04 
1 1 1   19    9    9 o   4.4195   0.5305   4.0016  160.300  -0.63   0.40   0.08  -0.06 
1 1 1   19    9   10 o   3.0610   0.6401   3.3911 -68.0000   0.31   0.29  -0.02   0.04 
1 1 1   19    9   11 o   1.9132   0.8121   2.9310 -39.0000   0.38  -0.28   0.00  -0.07 
1 1 1   19    9   12 o   2.6905   0.7555   1.6659 -50.4000  -0.19  -0.35  -0.02   0.02 
1 1 1   19    9   13 o   2.9300   0.6534   4.6900  156.800  -0.33  -0.25   0.04  -0.01 
1 1 1   19    9   14 o   4.0844   0.6220   2.9086   77.500   0.25   0.20  -0.01   0.02 
1 1 1   19    9   15 o   6.1857   0.4415   7.0626 -55.5000   0.82  -0.21  -0.01  -0.10 
1 1 1   19    9   16 o   5.3095   0.6768   6.3957 -86.0000  -0.20  -0.72  -0.05   0.03 
1 1 1   19   11    0 o   0.0000   2.5100   3.9557  -0.0000  -0.03   0.00   0.00   0.00 
1 1 1   19   11    1 o   6.1417   0.3734   2.9508 -13.7000   0.59   0.45   0.04  -0.02 
1 1 1   19   11    2 o   4.7453   0.5252   3.2506  101.600  -0.40   0.04  -0.00  -0.02 
1 1 1   19   11    3 o   3.7616   0.4662   3.0944   3.8000  -0.66  -0.68   0.16   0.01 
1 1 1   19   11    4 o   3.4168   0.5862   0.6149 -146.4000  -0.07  -0.49  -0.04  -0.03 
1 1 1   19   11    5 o   0.8462   1.0569   1.5405   18.300   0.30   0.29   0.04   0.01 
1 1 1   19   11    6 o   4.3978   0.4793   3.4087   35.200   0.45  -0.15   0.04  -0.03 
1 1 1   19   11    7 o   3.0407   0.6050   4.4810  168.400  -0.22   0.01   0.01  -0.01 
1 1 1   19   11    8 o   4.9383   0.5724   7.3803  149.600  -1.16  -0.20  -0.03  -0.11 
1 1 1   19   11    9 o   1.5528   0.9205   2.0777 -135.2000   0.22  -0.09   0.01   0.02 
1 1 1   19   11   10 o   0.0000   1.9040  ?   ?    0.11  -0.00   0.01   0.00 
1 1 1   19   11   11 o   2.8700   0.7217   0.1608 -133.3000  -0.23  -0.18   0.02   0.02 
1 1 1   19   11   12 o   1.8913   0.9912   2.4608 -175.4000  -0.22  -0.21   0.02   0.00 
1 1 1   19   11   13 o   4.0623   0.8047   3.7735   25.900   0.26  -0.10   0.01  -0.00 
1 1 1   19   13    0 f   5.0200   0.5531   0.1785   0.0000   0.12   0.00   0.00   0.00 
1 1 1   19   13    1 o   3.3956   0.5163   3.1995 -42.4000  -0.23   0.03   0.02  -0.02 
1 1 1   19   13    2 o   1.7840   0.9295   2.4722 -124.2000  -0.63   0.15  -0.02   0.07 
1 1 1   19   13    3 o   1.8279   0.9124   2.1131   63.900   0.05  -0.28   0.00   0.02 
1 1 1   19   13    4 f   2.9071   0.7246   3.6552   60.400   0.49  -0.29   0.03   0.04 
1 1 1   19   13    5 o   2.1115   0.9294   3.1893 -38.8000   0.06  -0.08  -0.00  -0.00 
1 1 1   19   13    6 o   2.1909   1.3377   2.0898 -104.0000  -0.26  -0.14   0.00   0.00 
1 1 1   19   13    7 o   3.4956   1.1788   1.8506  176.300   0.36   0.23  -0.02   0.02 
1 1 1   19   13    8 o   6.2639   0.9021   1.3354  177.900   0.70   0.07   0.00   0.02 
1 1 1   20    0    0 o   2.9155   1.5305   0.2232   0.0000  -0.28   0.00   0.00   0.00 
1 1 1   20    0    1 o   1.5811   1.1391   2.3124   90.000   0.00   0.10   0.00   0.00 
1 1 1   20    0    2 o   6.4420   0.4892   7.7187   0.0000   0.91   0.00   0.00   0.00 
1 1 1   20    0    3 o   4.1593   0.9636   2.5570 -90.0000  -0.00  -0.24   0.00   0.00 
1 1 1   20    0    4 o   12.938   0.3204   13.007  180.000  -1.93   0.00   0.00   0.00 
1 1 1   20    0    5 o   4.6260   0.6566   0.5876   90.000   0.00   0.06   0.00   0.00 
1 1 1   20    0    6 o   11.870   0.4031   7.3415   0.0000   1.58   0.00   0.00   0.00 
1 1 1   20    0    7 o   4.8374   0.8646   3.8078 -90.0000  -0.00  -0.08   0.00   0.00 
1 1 1   20    0    8 o   7.7136   0.5097   4.5012  180.000  -0.75   0.00   0.00   0.00 
1 1 1   20    0    9 o   3.0000   1.1166   2.5246   90.000   0.00   0.17   0.00   0.00 
1 1 1   20    0   10 o   7.0427   0.9439   4.9719   0.0000   0.96   0.00   0.00   0.00 
1 1 1   20    0   13 o   0.0000   4.3704   3.0261   90.000  -0.00  -0.11   0.00   0.00 
1 1 1   20    0   14 o   2.2136   1.8893   1.5533   0.0000   0.16   0.00   0.00   0.00 
1 1 1   20    0   15 o   3.2863   1.6482   2.6415   90.000   0.00   0.04   0.00   0.00 
1 1 1   20    0   16 o   4.6583   1.3756   1.6516  180.000  -0.12   0.00   0.00   0.00 
1 1 1   20    0   17 o   6.7750   1.3237   5.0705 -90.0000   0.00   0.26   0.00   0.00 
1 1 1   20    2    0 o   9.3005   0.4115   9.2159  -0.0000   0.88   0.00   0.00   0.00 
1 1 1   20    2    1 o   6.6923   0.4120   5.6630  -3.8000   1.36   2.34   0.49   0.38 
1 1 1   20    2    2 o   5.4470   0.4439   5.1621  168.700  -1.40  -0.67   0.09  -0.14 
1 1 1   20    2    3 o   11.011   0.3021   10.483 -179.1000  -2.76  -2.27   0.40   1.05 
1 1 1   20    2    4 o   4.5084   0.5437   2.0407   29.800   0.47   0.01   0.01  -0.03 
1 1 1   20    2    5 o   10.745   0.6633   7.3224  10.0000   3.76  -1.25   0.33   0.60 
1 1 1   20    2    6 o   3.6332   0.7570   0.8336  174.600  -0.21   0.07   0.00   0.00 
1 1 1   20    2    7 o   5.4588   0.5966   4.3866 -156.5000  -1.84   0.93   0.21   0.25 
1 1 1   20    2    8 o   3.6303   1.2716   1.0760  146.500   0.34   0.38   0.02  -0.01 
1 1 1   20    2    9 o   2.8244   1.3248   4.2623  -6.3000   1.02  -0.61   0.09   0.11 
1 1 1   20    2   10 o   4.0831   0.5239   3.7874 -78.8000  -0.22  -0.18   0.01  -0.00 
1 1 1   20    2   11 o   4.5813   0.6074   6.7109  175.000  -0.75   0.28   0.06  -0.02 
1 1 1   20    2   12 o   4.1014   0.7498   4.4415   50.700  -0.10   0.42  -0.01   0.01 
1 1 1   20    2   13 o   5.8987   0.6540   7.4559  -6.8000   0.11  -1.12  -0.02  -0.10 
1 1 1   20    2   14 o   2.3595   0.9485   2.7158 -115.8000  -0.26  -0.28  -0.02   0.02 
1 1 1   20    2   15 o   4.6595   0.9756   4.5242   98.800  -0.57   0.73   0.00  -0.05 
1 1 1   20    2   16 o   5.4908   1.3604   0.6320 -159.9000   0.37   0.42  -0.01   0.00 
1 1 1   20    2   17 o   5.9816   0.7866   6.2349 -119.4000   0.05  -0.88  -0.02  -0.02 
1 1 1   20    4    0 o   8.8091   0.4529   7.7348  -0.0000   0.92   0.00   0.00   0.00 
1 1 1   20    4    1 o   5.5138   0.4895   8.8082  177.200  -1.20  -0.72   0.13  -0.07 
1 1 1   20    4    2 o   8.3361   0.3966   6.3338  139.600  -1.84  -0.64   0.20  -0.13 
1 1 1   20    4    3 o   3.7794   0.5305   2.9837  -5.3000   0.27  -0.86   0.07  -0.08 
1 1 1   20    4    4 o   9.3175   0.2889   5.8306 -30.1000   1.53   1.72   0.34   0.08 
1 1 1   20    4    5 o   3.3070   0.9770   2.1090  169.100  -0.97  -0.76   0.06  -0.07 
1 1 1   20    4    6 o   7.4433   0.3449   8.8678  154.700  -1.92   0.03   0.31   0.28 
1 1 1   20    4    7 o   4.1591   0.5067   1.4186  -9.1000   0.52  -0.26   0.05  -0.05 
1 1 1   20    4    8 o   4.9657   0.5916   6.5458 -29.8000   1.04  -1.22   0.17   0.02 
1 1 1   20    4    9 o   1.0815   1.0464   2.5743 -155.3000  -0.25   0.11   0.02  -0.00 
1 1 1   20    4   10 o   2.5189   0.7596   2.1754 -176.5000  -0.47   0.13   0.03  -0.03 
1 1 1   20    4   11 o   1.2314   0.9282   3.8099   24.500   0.45   0.36   0.06   0.05 
1 1 1   20    4   12 o   2.1897   0.7404   4.8549   6.7000   0.23   0.36   0.04   0.00 
1 1 1   20    4   13 o   0.8975   0.9866   3.2907 -95.6000   0.06  -0.46   0.01   0.06 
1 1 1   20    4   14 o   4.4758   0.6808   2.6402  165.200  -0.49   0.06   0.04   0.01 
1 1 1   20    4   15 f   2.8026   1.1286   2.2512  147.200  -0.12   0.37  -0.02   0.00 
1 1 1   20    4   16 o   4.0201   0.7190   1.6638 -116.1000   0.51  -0.18  -0.01  -0.03 
1 1 1   20    6    0 o   4.5387   0.6493   4.1681  180.000  -0.40   0.00   0.00   0.00 
1 1 1   20    6    1 o   4.7803   0.4606   3.7434  137.200  -0.07   0.05   0.00  -0.00 
1 1 1   20    6    2 o   3.3405   0.6800   4.6158   31.400   0.62   0.66   0.06   0.12 
1 1 1   20    6    3 o   5.7417   0.4205   3.1498 -29.9000   0.69   0.23   0.03  -0.03 
1 1 1   20    6    4 o   4.3542   0.5807   6.0744 -133.8000  -0.36  -1.48   0.11   0.12 
1 1 1   20    6    5 o   7.7002   0.3643   5.2255  164.400  -1.14   1.42   0.17  -0.22 
1 1 1   20    6    6 o   3.1109   0.7622   6.4818   29.400   0.33   0.92   0.07   0.02 
1 1 1   20    6    7 f   7.2425   0.3681   6.9426 -51.1000   1.72   0.00   0.07  -0.20 
1 1 1   20    6    8 o   4.2734   0.5052   3.3981 -163.1000  -1.00  -0.50   0.18   0.11 
1 1 1   20    6    9 o   3.8832   0.5997   3.1114  135.000  -0.38   0.29   0.03  -0.02 
1 1 1   20    6   10 o   2.6142   0.7922   4.1392   20.300   0.49   0.08   0.07   0.05 
1 1 1   20    6   11 o   3.1293   0.9495   3.5679 -21.6000   0.36  -0.81   0.06   0.01 
1 1 1   20    6   12 o   3.0689   0.6637   1.4805 -175.0000  -0.30   0.03   0.02  -0.02 
1 1 1   20    6   13 f   4.0449   1.8361   2.8342  150.300  -0.46  -0.07   0.01  -0.01 
1 1 1   20    6   14 o   5.0157   0.8109   1.1268 -77.6000   0.81  -0.08   0.01  -0.03 
1 1 1   20    8    0 o   2.5100   0.9452   1.1176  180.000   0.02   0.00   0.00   0.00 
1 1 1   20    8    1 o   3.6233   0.6047   4.4970  -6.2000   0.70  -0.60   0.08   0.02 
1 1 1   20    8    2 o   4.8305   0.5502   2.9426   52.400   0.28   0.25   0.01   0.01 
1 1 1   20    8    3 o   4.4289   0.5767   2.7848 -167.8000  -1.22   0.77   0.10   0.09 
1 1 1   20    8    4 o   3.3145   0.5512   2.4156 -153.6000  -0.27   0.14   0.02  -0.00 
1 1 1   20    8    5 o   1.0594   1.0711   3.1180   17.000   0.29   0.40   0.04   0.10 
1 1 1   20    8    6 o   4.3546   0.4944   2.9446 -26.8000   0.04  -0.13  -0.00  -0.01 
1 1 1   20    8    7 o   2.6988   1.2511   3.1478 -156.4000  -1.14   0.81   0.07   0.18 
1 1 1   20    8    8 f   4.1409   0.5013   0.2806 -15.9000  -0.23   0.11   0.02  -0.02 
1 1 1   20    8    9 o   1.2971   1.0442   2.5124 -21.3000   0.29   0.31   0.05   0.01 
1 1 1   20    8   10 o   4.0448   1.2907   1.2357 -38.9000  -0.17  -0.29  -0.00  -0.01 
1 1 1   20    8   11 o   5.0134   2.2165   3.0098 -164.3000  -0.61  -0.41   0.01  -0.02 
1 1 1   20    8   12 o   5.8581   0.7343   2.8141   92.000   0.26   0.56  -0.01   0.02 
1 1 1   20   10    0 o   3.6469   0.6920   3.2500  180.000   0.12   0.00   0.00   0.00 
1 1 1   20   10    1 f   4.1113   0.5890   2.6918  121.400   0.29   0.04   0.01  -0.01 
1 1 1   20   10    2 f   3.0890   0.6110   0.3774   53.600  -0.21  -0.04   0.02  -0.00 
1 1 1   20   10    3 o   3.4576   0.5984   4.4602 -171.7000   0.04   0.13  -0.01   0.00 
1 1 1   20   10    4 o   5.1099   0.9836   3.2338 -37.8000   0.77  -0.75   0.05   0.00 
1 1 1   20   10    5 o   3.2741   0.8523   3.3880 -96.8000   0.02   0.04  -0.00  -0.00 
1 1 1   20   10    6 o   4.8166   1.3929   4.2153  169.100  -1.10  -0.09   0.00   0.00 
1 1 1   20   10    7 o   5.3819   0.9037   1.7005   6.3000   0.16  -0.05   0.00  -0.00 
1 1 1   20   10    8 o   5.7761   0.6721   6.7359 -26.3000   0.70   0.15   0.04  -0.01 
1 1 1   21    1    0 f   7.4431   0.6523   3.8208 -180.0000  -0.05   0.00   0.00   0.00 
1 1 1   21    1    1 o   4.9070   0.4959   5.0723 -174.0000  -0.61  -0.57   0.09   0.01 
1 1 1   21    1    2 f   0.9076   0.9541   2.5010  178.200  -0.07  -0.01   0.00   0.00 
1 1 1   21    1    3 o   4.4806   1.1640   6.1199  10.0000   0.77  -0.93   0.05   0.03 
1 1 1   21    1    4 o   3.6924   0.7589   5.6585  10.0000   0.44   0.18   0.04   0.01 
1 1 1   21    1    5 f   2.9716   1.3459   4.4624  177.900  -0.66   0.36   0.03   0.06 
1 1 1   21    1    6 o   2.5890   0.7791   3.0966 -99.3000  -0.36  -0.32   0.04  -0.00 
1 1 1   21    1    7 o   3.2986   0.8920   3.0474   10.200   0.72  -0.27   0.04   0.06 
1 1 1   21    1    8 o   2.6030   0.9568   3.4431   9.5000   0.32  -0.02   0.02  -0.01 
1 1 1   21    1    9 o   4.6245   0.9438   3.4046 -172.4000  -0.79  -0.03   0.04   0.00 
1 1 1   21    1   10 o   4.5894   1.0097   5.0023  159.000  -0.83   0.14   0.03  -0.01 
1 1 1   21    3    0 o  10.0000   0.4949   10.758  180.000  -1.17   0.00   0.00   0.00 
1 1 1   21    3    1 f   4.1932   0.5543   1.6243  123.100  -0.48   0.04   0.05   0.01 
1 1 1   21    3    2 o   6.9999   0.6094   8.1038 -18.3000   1.60  -1.51   0.25   0.08 
1 1 1   21    3    3 o   5.1792   0.6712   0.3809  -5.4000   0.40   0.04   0.00   0.01 
1 1 1   21    3    4 o   4.8166   0.4914   5.0379  175.400  -0.73  -0.20   0.12   0.04 
1 1 1   21    3    5 o   3.6153   1.2419   2.8663 -115.3000  -0.43  -0.18  -0.01  -0.00 
1 1 1   21    3    6 o   7.1794   0.5767   5.9453  -9.6000   1.01  -1.16   0.13  -0.02 
1 1 1   21    3    7 o   2.3530   1.4253   2.2067   43.700   0.16  -0.00   0.00   0.00 
1 1 1   21    3    8 o   3.4236   0.8184   4.4534  153.200  -0.59   0.03   0.05  -0.01 
1 1 1   21    3    9 o   4.1199   0.7802   1.6686   84.800  -0.11   0.15   0.00  -0.00 
1 1 1   21    5    0 o   3.8859   0.8654   2.1737 -180.0000  -0.15   0.00   0.00   0.00 
1 1 1   21    5    1 o   6.0892   0.4403   5.0841   8.8000   0.76  -0.20   0.09   0.01 
1 1 1   21    5    2 o   3.9346   0.8388   2.6106 -51.0000   0.13  -0.19   0.00  -0.00 
1 1 1   21    5    3 o   6.7865   0.6487   6.4262 -162.2000  -1.05   0.88   0.08  -0.01 
1 1 1   21    5    4 o   4.3918   0.9663   3.5032  104.200  -0.05   0.11  -0.00   0.00 
1 1 1   21    5    5 o   6.4266   0.6464   6.2650   1.9000   1.41  -0.11   0.10  -0.05 
1 1 1   21    5    6 o   6.3446   0.5431   2.9897 -87.7000  -0.03  -0.39  -0.01   0.01 
1 1 1   21    5    7 o   6.5632   0.6313   6.6612  140.200  -1.42  -0.61   0.06  -0.07 
1 1 1   21    7    0 f   4.5826   0.9713   1.7705   0.0000   0.40   0.00   0.00   0.00 
1 1 1    0    0    2 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    0    4 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    0    6 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    0    8 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    2    0 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    2    1 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    2    2 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    2    3 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    2    7 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    2    8 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    4    0 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    4    5 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    4    9 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    4   12 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    6    7 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0    8    0 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0   26   22 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    0   28   15 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    1    0 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    1    1 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    1    2 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    1    8 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    1    9 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    3    1 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    5    3 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    5    4 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    7    0 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    7    1 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1    7    5 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    1   29    9 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    0    5 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    0    8 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    0    9 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    0   13 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    2    1 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    2    2 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    2    3 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    2    9 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    4    0 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    4    2 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    4    4 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    6    0 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    6    1 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    6    2 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    6    3 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    6    4 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    6    6 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    8    0 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    8    1 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    8    3 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    2    8    4 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    3    1    0 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    3    7    3 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    3   29    7 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    4    0    0 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    4    2    0 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    4   14    0 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    4   14    2 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    4   14    4 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    5   13    4 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    5   15    0 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    6   22   28 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    6   26   18 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    6   28    8 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    8    4   42 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    8    6   41 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1    8   26   14 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1   10   26    6 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1   11   25    8 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1   15    3   32 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1   16    6   29 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1   20    0   11 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1   20    0   12 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1   21    3   10 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1   21    7    1 x  ?   ?   ?   ?       ?      ?      ?      ? 
1 1 1   21    7    2 x  ?   ?   ?   ?       ?      ?      ?      ? 
#END OF REFLECTIONS
