data_r4co8sf
# 
_audit.revision_id     1_0 
_audit.creation_date   ? 
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4co8 
_cell.length_a      50.8010 
_cell.length_b      50.8010 
_cell.length_c      67.6600 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   120.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9795 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.050 
_diffrn_reflns.pdbx_d_res_low    43.995 
_diffrn_reflns.limit_h_max       41 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       24 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       64 
_diffrn_reflns.limit_l_min       -64 
_diffrn_reflns.number            47708 
_diffrn_reflns.pdbx_number_obs   46017 
# 
_entry.id   4co8 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4co8 
_symmetry.space_group_name_H-M   'P 31 2 1' 
_symmetry.Int_Tables_number      152 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'          
2 'X-Y,  -Y,  -Z+2/3'  
3 'Y,  X,  -Z'         
4 '-X,  -X+Y,  -Z+1/3' 
5 '-X+Y,  -X,  Z+2/3'  
6 '-Y,  X-Y,  Z+1/3'   
# 
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.F_meas_au
_refln.F_meas_sigma_au
_refln.intensity_meas
_refln.intensity_sigma
_refln.pdbx_I_plus
_refln.pdbx_I_plus_sigma
_refln.pdbx_I_minus
_refln.pdbx_I_minus_sigma
_refln.pdbx_F_plus
_refln.pdbx_F_plus_sigma
_refln.pdbx_F_minus
_refln.pdbx_F_minus_sigma
_refln.pdbx_anom_difference
_refln.pdbx_anom_difference_sigma
1 1 1    0    0    3 o  480.043   12.841 31060.00  1652.96 31060.00  1652.96 31060.00  1652.96  480.043   12.841  480.043   12.841 0.000000 0.000000 
1 1 1    0    0    9 o  426.666   8.0708 24484.57  924.158 24484.57  924.158 24484.57  924.158  426.666   8.0708  426.666   8.0708 0.000000 0.000000 
1 1 1    0    0   12 o  699.187   13.148 65775.96  2467.23 65775.96  2467.23 65775.96  2467.23  699.187   13.148  699.187   13.148 -0.000000 0.000000 
1 1 1    0    0   18 o  838.947   15.765 94718.77  3549.58 94718.77  3549.58 94718.77  3549.58  838.947   15.765  838.947   15.765 -0.000000 0.000000 
1 1 1    0    0   30 o  715.866   19.231 69560.00  3691.68 69560.00  3691.68 69560.00  3691.68  715.866   19.231  715.866   19.231 -0.000000 0.000000 
1 1 1    0    0   39 o  292.397   5.6342 11533.25  442.115 11533.25  442.115 11533.25  442.115  292.397   5.6342  292.397   5.6342 0.000000 0.000000 
1 1 1    0    0   42 o   33.220   1.9971  149.897   17.672  149.897   17.672  149.897   17.672   33.220   1.9971   33.220   1.9971 0.000000 0.000000 
1 1 1    0    0   45 o   24.695   2.4704   84.451   16.010   84.451   16.010   84.451   16.010   24.695   2.4704   24.695   2.4704 -0.000000 0.000000 
1 1 1    0    0   48 o   72.639   2.0489  711.458   39.903  711.458   39.903  711.458   39.903   72.639   2.0489   72.639   2.0489 0.000000 0.000000 
1 1 1    0    0   51 o   6.3416   4.0103   2.1693   14.639   2.1693   14.639   2.1693   14.639   6.3416   4.0103   6.3416   4.0103 0.000000 0.000000 
1 1 1    0    0   54 o   20.134   3.6478   59.974   17.806   59.974   17.806   59.974   17.806   20.134   3.6478   20.134   3.6478 -0.000000 0.000000 
1 1 1    0    0   57 o   19.087   4.2526   56.246   19.048   56.246   19.048   56.246   19.048   19.087   4.2526   19.087   4.2526 0.000000 0.000000 
1 1 1    0    0   60 o   30.190   2.8004  126.844   22.259  126.844   22.259  126.844   22.259   30.190   2.8004   30.190   2.8004 -0.000000 0.000000 
1 1 1    0    0   63 o   84.068   3.1853  978.500   71.691  978.500   71.691  978.500   71.691   84.068   3.1853   84.068   3.1853 -0.000000 0.000000 
1 1 1    1    0  -64 o   8.7286   4.1683   17.269   11.205   17.269   11.205   17.269   11.205   8.7286   4.1683   8.7286   4.1683 0.000000 0.000000 
1 1 1    1    0  -63 o   51.803   1.6677  369.444   23.149  369.444   23.149  369.444   23.149   51.803   1.6677   51.803   1.6677 0.000000 0.000000 
1 1 1    1    0  -62 o   14.977   3.6366   36.907   12.678   36.907   12.678   36.907   12.678   14.977   3.6366   14.977   3.6366 0.000000 0.000000 
1 1 1    1    0  -61 o   5.6329   3.7312  -1.7509   14.832  -1.7509   14.832  -1.7509   14.832   5.6329   3.7312   5.6329   3.7312 0.000000 0.000000 
1 1 1    1    0  -60 o   13.293   3.5041   29.079   10.809   29.079   10.809   29.079   10.809   13.293   3.5041   13.293   3.5041 -0.000000 0.000000 
1 1 1    1    0  -59 o   42.487   1.5334  245.377   17.446  245.377   17.446  245.377   17.446   42.487   1.5334   42.487   1.5334 0.000000 0.000000 
1 1 1    1    0  -58 o   5.1671   3.2757   1.6956   9.8340   1.6956   9.8340   1.6956   9.8340   5.1671   3.2757   5.1671   3.2757 -0.000000 0.000000 
1 1 1    1    0  -57 o   46.278   1.5508  290.505   19.227  290.505   19.227  290.505   19.227   46.278   1.5508   46.278   1.5508 -0.000000 0.000000 
1 1 1    1    0  -56 o   44.808   1.3597  271.710   16.330  271.710   16.330  271.710   16.330   44.808   1.3597   44.808   1.3597 -0.000000 0.000000 
1 1 1    1    0  -55 o   15.244   2.6705   34.402   9.9303   34.402   9.9303   34.402   9.9303   15.244   2.6705   15.244   2.6705 -0.000000 0.000000 
1 1 1    1    0  -54 o   11.872   3.9486   24.839   11.211   24.839   11.211   24.839   11.211   11.872   3.9486   11.872   3.9486 0.000000 0.000000 
1 1 1    1    0  -53 o   7.3740   4.1410   10.317   12.400   10.317   12.400   10.317   12.400   7.3740   4.1410   7.3740   4.1410 0.000000 0.000000 
1 1 1    1    0  -52 o   33.226   1.3355  149.454   11.875  149.454   11.875  149.454   11.875   33.226   1.3355   33.226   1.3355 0.000000 0.000000 
1 1 1    1    0  -51 o   32.809   1.2896  145.610   11.324  145.610   11.324  145.610   11.324   32.809   1.2896   32.809   1.2896 0.000000 0.000000 
1 1 1    1    0  -50 o   8.3540   3.6320   13.600   8.4389   13.600   8.4389   13.600   8.4389   8.3540   3.6320   8.3540   3.6320 -0.000000 0.000000 
1 1 1    1    0  -49 o   6.3465   3.3759   7.9052   7.7846   7.9052   7.7846   7.9052   7.7846   6.3465   3.3759   6.3465   3.3759 0.000000 0.000000 
1 1 1    1    0  -48 o   36.279   1.2696  177.738   12.337  177.738   12.337  177.738   12.337   36.279   1.2696   36.279   1.2696 -0.000000 0.000000 
1 1 1    1    0  -47 o   49.165   1.1378  325.588   15.007  325.588   15.007  325.588   15.007   49.165   1.1378   49.165   1.1378 0.000000 0.000000 
1 1 1    1    0  -46 o   67.030   1.3541  605.129   24.357  605.129   24.357  605.129   24.357   67.030   1.3541   67.030   1.3541 0.000000 0.000000 
1 1 1    1    0  -45 o   86.028   1.3565  996.023   31.326  996.023   31.326  996.023   31.326   86.028   1.3565   86.028   1.3565 -0.000000 0.000000 
1 1 1    1    0  -44 o   8.9351   3.6290   15.023   8.5389   15.023   8.5389   15.023   8.5389   8.9351   3.6290   8.9351   3.6290 -0.000000 0.000000 
1 1 1    1    0  -43 o   47.194   1.3945  300.210   17.642  300.210   17.642  300.210   17.642   47.194   1.3945   47.194   1.3945 -0.000000 0.000000 
1 1 1    1    0  -42 o   72.548   1.2404  707.960   24.154  707.960   24.154  707.960   24.154   72.548   1.2404   72.548   1.2404 0.000000 0.000000 
1 1 1    1    0  -41 o  150.626   1.7922  3052.27   72.484  3052.27   72.484  3052.27   72.484  150.626   1.7922  150.626   1.7922 0.000000 0.000000 
1 1 1    1    0  -40 o   77.690   1.1666  811.533   24.331  811.533   24.331  811.533   24.331   77.690   1.1666   77.690   1.1666 -0.000000 0.000000 
1 1 1    1    0  -39 o  139.804   1.6848  2628.36   63.243  2628.36   63.243  2628.36   63.243  139.804   1.6848  139.804   1.6848 0.000000 0.000000 
1 1 1    1    0  -38 o   55.568   1.0534  415.253   15.710  415.253   15.710  415.253   15.710   55.568   1.0534   55.568   1.0534 -0.000000 0.000000 
1 1 1    1    0  -37 o   81.062   1.1782  883.306   25.641  883.306   25.641  883.306   25.641   81.062   1.1782   81.062   1.1782 0.000000 0.000000 
1 1 1    1    0  -36 o   60.969   1.1557  499.861   18.910  499.861   18.910  499.861   18.910   60.969   1.1557   60.969   1.1557 0.000000 0.000000 
1 1 1    1    0  -35 o   17.794   1.9385   44.038   8.9860   44.038   8.9860   44.038   8.9860   17.794   1.9385   17.794   1.9385 -0.000000 0.000000 
1 1 1    1    0  -34 o  127.668   1.9073  2191.36   65.368  2191.36   65.368  2191.36   65.368  127.668   1.9073  127.668   1.9073 -0.000000 0.000000 
1 1 1    1    0  -33 o  186.499   2.3446  4676.02  117.404  4676.02  117.404  4676.02  117.404  186.499   2.3446  186.499   2.3446 -0.000000 0.000000 
1 1 1    1    0  -32 o   20.816   1.4367   59.029   7.9446   59.029   7.9446   59.029   7.9446   20.816   1.4367   20.816   1.4367 0.000000 0.000000 
1 1 1    1    0  -31 o  265.869   3.2404  9504.98  231.321  9504.98  231.321  9504.98  231.321  265.869   3.2404  265.869   3.2404 -0.000000 0.000000 
1 1 1    1    0  -30 o  204.271   2.8405  5610.10  155.778  5610.10  155.778  5610.10  155.778  204.271   2.8405  204.271   2.8405 0.000000 0.000000 
1 1 1    1    0  -28 o  122.718   1.8443  2024.21   60.760  2024.21   60.760  2024.21   60.760  122.718   1.8443  122.718   1.8443 0.000000 0.000000 
1 1 1    1    0  -27 f  190.392   2.1695  4871.24  110.911  4871.24  110.911  4871.24  110.911  190.392   2.1695  190.392   2.1695 0.000000 0.000000 
1 1 1    1    0  -26 o  118.150   2.0562  1876.79   65.208  1876.79   65.208  1876.79   65.208  118.150   2.0562  118.150   2.0562 -0.000000 0.000000 
1 1 1    1    0  -25 o  145.252   2.1051  2835.78   82.087  2835.78   82.087  2835.78   82.087  145.252   2.1051  145.252   2.1051 -0.000000 0.000000 
1 1 1    1    0  -24 o  100.293   1.4191  1351.77   38.211  1351.77   38.211  1351.77   38.211  100.293   1.4191  100.293   1.4191 0.000000 0.000000 
1 1 1    1    0  -23 o  650.015   7.0635 56861.20  1232.88 56861.20  1232.88 56861.20  1232.88  650.015   7.0635  650.015   7.0635 -0.000000 0.000000 
1 1 1    1    0  -22 o  584.124   6.3508 45889.65  996.113 45889.65  996.113 45889.65  996.113  584.124   6.3508  584.124   6.3508 -0.000000 0.000000 
1 1 1    1    0  -21 o  248.638   3.0308  8307.67  202.336  8307.67  202.336  8307.67  202.336  248.638   3.0308  248.638   3.0308 0.000000 0.000000 
1 1 1    1    0  -20 f  550.854   8.4794 40830.41  1253.90 40830.41  1253.90 40830.41  1253.90  550.854   8.4794  550.854   8.4794 -0.000000 0.000000 
1 1 1    1    0  -19 o   78.530   1.8901  829.680   39.814  829.680   39.814  829.680   39.814   78.530   1.8901   78.530   1.8901 0.000000 0.000000 
1 1 1    1    0  -18 o  128.596   1.5416  2221.88   53.230  2221.88   53.230  2221.88   53.230  128.596   1.5416  128.596   1.5416 -0.000000 0.000000 
1 1 1    1    0  -17 o   66.767   1.4391  599.508   25.780  599.508   25.780  599.508   25.780   66.767   1.4391   66.767   1.4391 0.000000 0.000000 
1 1 1    1    0  -16 o   58.874   1.3248  466.201   20.924  466.201   20.924  466.201   20.924   58.874   1.3248   58.874   1.3248 0.000000 0.000000 
1 1 1    1    0  -15 o  873.383   13.405 102715.40  3142.98 102715.40  3142.98 102715.40  3142.98  873.383   13.405  873.383   13.405 0.000000 0.000000 
1 1 1    1    0  -14 o  364.792   4.8909 17885.72  479.020 17885.72  479.020 17885.72  479.020  364.792   4.8909  364.792   4.8909 0.000000 0.000000 
1 1 1    1    0  -13 o   22.466   1.5093   68.699   9.0133   68.699   9.0133   68.699   9.0133   22.466   1.5093   22.466   1.5093 0.000000 0.000000 
1 1 1    1    0  -12 f   16.447   1.0696   36.788   4.6791   36.788   4.6791   36.788   4.6791   16.447   1.0696   16.447   1.0696 0.000000 0.000000 
1 1 1    1    0  -11 o   30.710   1.1583  127.194   9.5233  127.194   9.5233  127.194   9.5233   30.710   1.1583   30.710   1.1583 -0.000000 0.000000 
1 1 1    1    0  -10 o  413.315   5.5267 22966.32  613.283 22966.32  613.283 22966.32  613.283  413.315   5.5267  413.315   5.5267 0.000000 0.000000 
1 1 1    1    0   -9 o   45.150   1.4393  274.609   17.414  274.609   17.414  274.609   17.414   45.150   1.4393   45.150   1.4393 0.000000 0.000000 
1 1 1    1    0   -8 o  212.551   2.9144  6071.78  166.314  6071.78  166.314  6071.78  166.314  212.551   2.9144  212.551   2.9144 -0.000000 0.000000 
1 1 1    1    0   -7 o  551.757   7.3519 40958.40  1089.09 40958.40  1089.09 40958.40  1089.09  551.757   7.3519  551.757   7.3519 -0.000000 0.000000 
1 1 1    1    0   -6 o  119.189   1.7493  1909.20   55.975  1909.20   55.975  1909.20   55.975  119.189   1.7493  119.189   1.7493 0.000000 0.000000 
1 1 1    1    0   -5 o   70.949   1.0777  676.499   20.526  676.499   20.526  676.499   20.526   70.949   1.0777   70.949   1.0777 -0.000000 0.000000 
1 1 1    1    0   -4 o  318.767   3.8316 13657.41  327.946 13657.41  327.946 13657.41  327.946  318.767   3.8316  318.767   3.8316 -0.000000 0.000000 
1 1 1    1    0   -3 o   19.014   0.8197   48.824   4.1688   48.824   4.1688   48.824   4.1688   19.014   0.8197   19.014   0.8197 -0.000000 0.000000 
1 1 1    1    0   -2 o  186.514   3.6478  4678.87  182.585  4678.87  182.585  4678.87  182.585  186.514   3.6478  186.514   3.6478 0.000000 0.000000 
1 1 1    1    0    2 o  184.033   2.2749  4551.07  112.411  4551.07  112.411  4551.07  112.411  184.033   2.2749  184.033   2.2749 -0.000000 0.000000 
1 1 1    1    0    3 o  162.646   3.2214  3557.81  140.605  3557.81  140.605  3557.81  140.605  162.646   3.2214  162.646   3.2214 0.000000 0.000000 
1 1 1    1    0    4 o  444.085   5.9281 26523.83  706.800 26523.83  706.800 26523.83  706.800  444.085   5.9281  444.085   5.9281 0.000000 0.000000 
1 1 1    1    0    5 o  407.117   4.4424 22278.24  485.638 22278.24  485.638 22278.24  485.638  407.117   4.4424  407.117   4.4424 -0.000000 0.000000 
1 1 1    1    0    6 o  653.750   7.7753 57507.52  1364.84 57507.52  1364.84 57507.52  1364.84  653.750   7.7753  653.750   7.7753 0.000000 0.000000 
1 1 1    1    0    7 o  354.635   4.7552 16907.94  452.757 16907.94  452.757 16907.94  452.757  354.635   4.7552  354.635   4.7552 0.000000 0.000000 
1 1 1    1    0    8 o  254.980   2.8230  8735.96  193.279  8735.96  193.279  8735.96  193.279  254.980   2.8230  254.980   2.8230 -0.000000 0.000000 
1 1 1    1    0    9 o   87.679   1.1392  1032.95   26.817  1032.95   26.817  1032.95   26.817   87.679   1.1392   87.679   1.1392 0.000000 0.000000 
1 1 1    1    0   10 o  183.018   2.9341  4502.46  144.146  4502.46  144.146  4502.46  144.146  183.018   2.9341  183.018   2.9341 0.000000 0.000000 
1 1 1    1    0   11 o  246.171   2.7326  8142.35  180.631  8142.35  180.631  8142.35  180.631  246.171   2.7326  246.171   2.7326 0.000000 0.000000 
1 1 1    1    0   12 f  203.196   2.2848  5547.39  124.662  5547.39  124.662  5547.39  124.662  203.196   2.2848  203.196   2.2848 -0.000000 0.000000 
1 1 1    1    0   13 o  229.055   2.5547  7049.22  157.126  7049.22  157.126  7049.22  157.126  229.055   2.5547  229.055   2.5547 0.000000 0.000000 
1 1 1    1    0   14 o  511.672   6.0964 35189.64  837.567 35189.64  837.567 35189.64  837.567  511.672   6.0964  511.672   6.0964 -0.000000 0.000000 
1 1 1    1    0   15 o  201.740   3.2181  5470.50  174.276  5470.50  174.276  5470.50  174.276  201.740   3.2181  201.740   3.2181 0.000000 0.000000 
1 1 1    1    0   16 o  483.749   5.2668 31447.76  684.139 31447.76  684.139 31447.76  684.139  483.749   5.2668  483.749   5.2668 -0.000000 0.000000 
1 1 1    1    0   17 o  360.158   3.9437 17429.38  381.391 17429.38  381.391 17429.38  381.391  360.158   3.9437  360.158   3.9437 -0.000000 0.000000 
1 1 1    1    0   18 o   67.679   1.7923  616.450   32.528  616.450   32.528  616.450   32.528   67.679   1.7923   67.679   1.7923 -0.000000 0.000000 
1 1 1    1    0   19 o  265.041   3.2178  9439.42  228.993  9439.42  228.993  9439.42  228.993  265.041   3.2178  265.041   3.2178 -0.000000 0.000000 
1 1 1    1    0   20 f  147.054   2.4385  2906.81   96.255  2906.81   96.255  2906.81   96.255  147.054   2.4385  147.054   2.4385 -0.000000 0.000000 
1 1 1    1    0   21 o  420.673   5.6266 23795.03  635.494 23795.03  635.494 23795.03  635.494  420.673   5.6266  420.673   5.6266 0.000000 0.000000 
1 1 1    1    0   22 o  413.965   4.5223 23035.20  502.688 23035.20  502.688 23035.20  502.688  413.965   4.5223  413.965   4.5223 0.000000 0.000000 
1 1 1    1    0   23 o  131.473   2.2460  2323.77   79.260  2323.77   79.260  2323.77   79.260  131.473   2.2460  131.473   2.2460 -0.000000 0.000000 
1 1 1    1    0   24 o   32.609   1.5103  143.735   13.163  143.735   13.163  143.735   13.163   32.609   1.5103   32.609   1.5103 0.000000 0.000000 
1 1 1    1    0   25 o   20.676   1.5369   58.361   8.4264   58.361   8.4264   58.361   8.4264   20.676   1.5369   20.676   1.5369 0.000000 0.000000 
1 1 1    1    0   26 o  197.314   2.4543  5232.58  130.024  5232.58  130.024  5232.58  130.024  197.314   2.4543  197.314   2.4543 0.000000 0.000000 
1 1 1    1    0   27 f  214.378   4.1922  6184.93  241.178  6184.93  241.178  6184.93  241.178  214.378   4.1922  214.378   4.1922 -0.000000 0.000000 
1 1 1    1    0   28 o   62.898   1.4153  532.165   23.882  532.165   23.882  532.165   23.882   62.898   1.4153   62.898   1.4153 -0.000000 0.000000 
1 1 1    1    0   29 o   52.133   1.1076  365.519   15.493  365.519   15.493  365.519   15.493   52.133   1.1076   52.133   1.1076 0.000000 0.000000 
1 1 1    1    0   30 o   17.258   2.5948   42.634   11.225   42.634   11.225   42.634   11.225   17.258   2.5948   17.258   2.5948 0.000000 0.000000 
1 1 1    1    0   31 o  252.699   3.4571  8588.66  234.543  8588.66  234.543  8588.66  234.543  252.699   3.4571  252.699   3.4571 -0.000000 0.000000 
1 1 1    1    0   32 o  272.558   3.0280  9988.66  221.608  9988.66  221.608  9988.66  221.608  272.558   3.0280  272.558   3.0280 0.000000 0.000000 
1 1 1    1    0   33 o  286.387   3.1762 11030.58  244.246 11030.58  244.246 11030.58  244.246  286.387   3.1762  286.387   3.1762 0.000000 0.000000 
1 1 1    1    0   34 o   55.910   1.2533  420.515   18.799  420.515   18.799  420.515   18.799   55.910   1.2533   55.910   1.2533 -0.000000 0.000000 
1 1 1    1    0   35 o  115.889   1.7773  1805.75   55.292  1805.75   55.292  1805.75   55.292  115.889   1.7773  115.889   1.7773 0.000000 0.000000 
1 1 1    1    0   36 o  208.603   2.3659  5852.21  132.519  5852.21  132.519  5852.21  132.519  208.603   2.3659  208.603   2.3659 0.000000 0.000000 
1 1 1    1    0   37 o  102.207   1.9233  1405.55   52.756  1405.55   52.756  1405.55   52.756  102.207   1.9233  102.207   1.9233 0.000000 0.000000 
1 1 1    1    0   38 o   73.034   1.1335  717.095   22.223  717.095   22.223  717.095   22.223   73.034   1.1335   73.034   1.1335 -0.000000 0.000000 
1 1 1    1    0   39 o  132.235   1.7693  2351.91   62.816  2351.91   62.816  2351.91   62.816  132.235   1.7693  132.235   1.7693 -0.000000 0.000000 
1 1 1    1    0   40 o   26.336   1.2588   93.836   8.8580   93.836   8.8580   93.836   8.8580   26.336   1.2588   26.336   1.2588 0.000000 0.000000 
1 1 1    1    0   41 o  190.901   2.1926  4905.82  112.389  4905.82  112.389  4905.82  112.389  190.901   2.1926  190.901   2.1926 -0.000000 0.000000 
1 1 1    1    0   42 o   10.843   3.2115   19.484   8.1351   19.484   8.1351   19.484   8.1351   10.843   3.2115   10.843   3.2115 0.000000 0.000000 
1 1 1    1    0   43 o   39.791   1.1294  213.288   12.049  213.288   12.049  213.288   12.049   39.791   1.1294   39.791   1.1294 -0.000000 0.000000 
1 1 1    1    0   44 o   73.564   1.4587  728.591   28.797  728.591   28.797  728.591   28.797   73.564   1.4587   73.564   1.4587 -0.000000 0.000000 
1 1 1    1    0   45 o   24.196   1.3915   79.517   8.9748   79.517   8.9748   79.517   8.9748   24.196   1.3915   24.196   1.3915 -0.000000 0.000000 
1 1 1    1    0   46 o   27.671   1.3820  103.773   10.213  103.773   10.213  103.773   10.213   27.671   1.3820   27.671   1.3820 0.000000 0.000000 
1 1 1    1    0   47 o   18.642   1.9977   48.442   9.7125   48.442   9.7125   48.442   9.7125   18.642   1.9977   18.642   1.9977 0.000000 0.000000 
1 1 1    1    0   48 o   30.860   1.2767  128.799   10.541  128.799   10.541  128.799   10.541   30.860   1.2767   30.860   1.2767 -0.000000 0.000000 
1 1 1    1    0   49 o   18.876   1.7714   49.292   8.7991   49.292   8.7991   49.292   8.7991   18.876   1.7714   18.876   1.7714 -0.000000 0.000000 
1 1 1    1    0   50 o   4.4249   2.8427   0.2664   7.7085   0.2664   7.7085   0.2664   7.7085   4.4249   2.8427   4.4249   2.8427 0.000000 0.000000 
1 1 1    1    0   51 o   61.035   1.1624  501.907   19.039  501.907   19.039  501.907   19.039   61.035   1.1624   61.035   1.1624 0.000000 0.000000 
1 1 1    1    0   52 o   38.625   1.2684  201.586   13.126  201.586   13.126  201.586   13.126   38.625   1.2684   38.625   1.2684 0.000000 0.000000 
1 1 1    1    0   53 o   31.744   1.3944  136.650   11.836  136.650   11.836  136.650   11.836   31.744   1.3944   31.744   1.3944 0.000000 0.000000 
1 1 1    1    0   54 o   42.839   1.6875  249.228   19.348  249.228   19.348  249.228   19.348   42.839   1.6875   42.839   1.6875 0.000000 0.000000 
1 1 1    1    0   55 o   54.228   1.3026  397.297   18.948  397.297   18.948  397.297   18.948   54.228   1.3026   54.228   1.3026 -0.000000 0.000000 
1 1 1    1    0   56 o   3.7800   2.6351  -8.8175   9.6717  -8.8175   9.6717  -8.8175   9.6717   3.7800   2.6351   3.7800   2.6351 0.000000 0.000000 
1 1 1    1    0   57 o   28.636   1.5978  111.928   12.202  111.928   12.202  111.928   12.202   28.636   1.5978   28.636   1.5978 -0.000000 0.000000 
1 1 1    1    0   58 o   6.4556   3.6988   7.6668   10.162   7.6668   10.162   7.6668   10.162   6.4556   3.6988   6.4556   3.6988 0.000000 0.000000 
1 1 1    1    0   59 o   45.805   1.4982  284.897   18.388  284.897   18.388  284.897   18.388   45.805   1.4982   45.805   1.4982 0.000000 0.000000 
1 1 1    1    0   60 o   7.5479   3.9159   11.977   10.278   11.977   10.278   11.977   10.278   7.5479   3.9159   7.5479   3.9159 0.000000 0.000000 
1 1 1    1    0   61 o   78.398   1.3248  833.793   27.879  833.793   27.879  833.793   27.879   78.398   1.3248   78.398   1.3248 0.000000 0.000000 
1 1 1    1    0   62 o   4.3302   2.9581  -5.4146   10.773  -5.4146   10.773  -5.4146   10.773   4.3302   2.9581   4.3302   2.9581 0.000000 0.000000 
1 1 1    1    0   63 o   5.2764   3.3408   2.8121   10.194   2.8121   10.194   2.8121   10.194   5.2764   3.3408   5.2764   3.3408 -0.000000 0.000000 
1 1 1    1    0   64 o   28.886   1.5956  115.791   12.293  115.791   12.293  115.791   12.293   28.886   1.5956   28.886   1.5956 0.000000 0.000000 
1 1 1    1    1    0 o  355.932   4.2617 17022.03  407.422 16320.51  511.502 18239.55  673.857  348.464   5.4651  368.299   6.8120 -19.83441 8.733310 
1 1 1    1    1    1 o  317.554   3.0149 13549.22  257.146 13536.48  363.565 13561.98  363.753  317.326   4.2656  317.625   4.2638 -0.2987976 6.031254 
1 1 1    1    1    2 o  196.558   1.8008  5189.43   95.069  5215.76  127.841  5156.86  142.200  197.042   2.4156  195.919   2.7023 1.123596 3.624537 
1 1 1    1    1    3 o  441.484   3.5506 26193.24  421.023 25902.02  565.867 26554.36  630.139  438.899   4.8002  444.333   5.2800 -5.434265 7.135844 
1 1 1    1    1    4 o  455.640   4.2955 27908.08  525.687 26673.06  833.396 28724.17  677.463  445.091   6.9713  462.116   5.4581 -17.02548 8.853779 
1 1 1    1    1    5 o  228.276   1.9665  6999.53  120.574  6991.71  190.433  7004.76  155.776  228.115   3.1081  228.346   2.5399 -0.2317200 4.013904 
1 1 1    1    1    6 o  278.705   2.1710 10433.99  162.517 10164.07  226.012 10722.97  233.855  275.045   3.0594  282.505   3.0820 -7.459930 4.342638 
1 1 1    1    1    7 o  450.830   3.4703 27310.19  420.214 27414.25  595.284 27206.84  593.267  451.566   4.9081  449.854   4.9101 1.711700 6.942465 
1 1 1    1    1    8 o  434.099   3.3429 25318.73  389.760 25078.36  547.695 25565.36  554.782  431.932   4.7210  436.105   4.7363 -4.172455 6.687309 
1 1 1    1    1    9 o  207.955   1.6472  5808.24   92.004  5869.20  130.997  5748.89  129.249  209.032   2.3332  206.879   2.3260 2.153534 3.294600 
1 1 1    1    1   10 o  196.106   1.7102  5165.18   90.080  5135.08  126.942  5195.71  127.848  195.524   2.4172  196.674   2.4202 -1.150833 3.420583 
1 1 1    1    1   11 o  191.409   1.5956  4920.64   82.030  4902.53  121.345  4935.88  111.318  191.048   2.3648  191.699   2.1620 -0.6513062 3.204118 
1 1 1    1    1   12 o  489.886   4.1262 32243.88  542.919 32420.83  703.443 31983.17  853.832  491.154   5.3324  487.737   6.5177 3.416931 8.421070 
1 1 1    1    1   13 o  462.389   4.3584 28725.77  541.284 28837.91  686.567 28541.58  879.891  463.228   5.5182  460.733   7.1103 2.495361 9.000368 
1 1 1    1    1   14 f  223.443   2.1615  6705.63  129.721  6579.97  181.320  6837.38  185.665  221.328   3.0501  225.616   3.0639 -4.287399 4.323237 
1 1 1    1    1   15 o  496.779   4.1847 33154.89  558.370 32779.64  783.529 33542.11  795.927  493.870   5.9068  499.580   5.9317 -5.709351 8.371058 
1 1 1    1    1   16 o  698.955   5.8699 65655.77  1101.98 65963.02  1562.92 65352.04  1553.98  700.337   8.3088  697.087   8.2998 3.249878 11.74405 
1 1 1    1    1   17 o  100.135   1.1796  1346.63   31.726  1394.85   49.263  1312.45   41.470  101.910   1.7998   98.855   1.5619 3.055031 2.382977 
1 1 1    1    1   18 o  168.572   2.1221  3816.59   96.080  3920.90  126.074  3672.09  148.392  170.853   2.7473  165.337   3.3416 5.516754 4.325953 
1 1 1    1    1   19 o  150.293   1.3569  3033.60   54.775  3059.11   87.004  3016.85   70.501  150.917   2.1464  149.875   1.7514 1.042816 2.770247 
1 1 1    1    1   20 o  156.614   1.5733  3294.26   66.181  3305.40   93.809  3283.23   93.381  156.872   2.2264  156.345   2.2237 0.5269318 3.146733 
1 1 1    1    1   21 o  700.856   5.8913 66058.72  1109.00 65758.46  1562.88 66363.23  1573.90  698.771   8.3272  701.972   8.3476 -3.201050 11.79090 
1 1 1    1    1   22 o  200.436   1.7546  5396.12   94.460  5458.64  134.533  5335.33  132.659  201.578   2.4848  199.288   2.4784 2.289673 3.509499 
1 1 1    1    1   23 o  388.307   3.0020 20260.80  313.098 20121.10  440.765 20403.09  444.839  386.858   4.2419  389.558   4.2515 -2.700348 6.005747 
1 1 1    1    1   24 o  284.537   2.2238 10876.78  169.949 10665.87  237.392 11098.53  243.409  281.714   3.1374  287.370   3.1536 -5.655884 4.448393 
1 1 1    1    1   25 o  183.924   1.8188  4544.43   89.851  4544.35  126.996  4544.51  127.141  183.893   2.5712  183.896   2.5741 -0.3189087E-02 3.638251 
1 1 1    1    1   26 o  224.028   1.7770  6742.01  106.925  6919.33  153.683  6575.63  148.861  226.923   2.5215  221.216   2.5054 5.706848 3.554540 
1 1 1    1    1   27 o  225.069   1.7850  6804.90  107.903  6702.12  151.147  6911.71  154.092  223.331   2.5198  226.796   2.5296 -3.464691 3.570450 
1 1 1    1    1   28 o  421.694   4.2682 23923.22  483.434 23809.54  736.016 24009.49  641.123  420.199   6.5214  422.174   5.6540 -1.975037 8.631145 
1 1 1    1    1   29 o   88.261   1.3409  1046.37   31.788  1028.66   49.698  1058.63   41.353   87.499   2.1147   88.771   1.7344 -1.272064 2.734936 
1 1 1    1    1   30 o  127.526   1.4381  2184.55   49.257  2248.15   76.336  2139.18   64.476  129.349   2.1972  126.184   1.9024 3.165047 2.906364 
1 1 1    1    1   31 o  123.545   1.5136  2050.40   50.225  2096.89   71.895  2006.08   70.193  124.920   2.1428  122.185   2.1389 2.734596 3.027572 
1 1 1    1    1   32 o   58.101   0.8149  453.386   12.717  456.852   18.086  449.997   17.884   58.320   1.1546   57.880   1.1504 0.4391365 1.629883 
1 1 1    1    1   33 o  181.607   1.6148  4431.17   78.769  4485.79  112.195  4378.09  110.614  182.683   2.2866  180.477   2.2819 2.205994 3.230381 
1 1 1    1    1   34 o  111.539   1.0450  1671.12   31.306  1635.91   45.864  1701.84   42.838  110.343   1.5475  112.549   1.4171 -2.205872 2.098318 
1 1 1    1    1   35 o  103.694   1.1011  1444.40   30.666  1451.36   46.145  1438.89   41.039  103.925   1.6531  103.484   1.4765 0.4408035 2.216509 
1 1 1    1    1   36 o  140.462   1.3033  2650.84   49.169  2696.87   70.250  2606.63   68.842  141.644   1.8465  139.254   1.8406 2.389481 2.607182 
1 1 1    1    1   37 o  124.082   1.0832  2068.45   36.101  2075.21   51.174  2061.74   50.935  124.260   1.5333  123.857   1.5311 0.4038086 2.166854 
1 1 1    1    1   38 o  107.511   1.0261  1552.91   29.631  1574.32   44.316  1535.59   39.848  108.223   1.5246  106.892   1.3879 1.331184 2.061732 
1 1 1    1    1   39 o  142.548   1.2087  2730.65   46.276  2712.43   65.215  2749.14   65.677  142.025   1.7096  142.983   1.7102 -0.9577789 2.418128 
1 1 1    1    1   40 o  151.925   1.2729  3102.22   51.942  3106.24   73.505  3098.21   73.410  151.961   1.8009  151.764   1.8009 0.1966553 2.546868 
1 1 1    1    1   41 o   28.797   0.8972  111.417   6.9397  107.070   10.113  115.285   9.5405   28.222   1.3341   29.287   1.2128 -1.065155 1.803015 
1 1 1    1    1   42 o   77.490   0.9160  806.815   19.064  797.781   26.851  815.996   27.071   77.035   1.2977   77.909   1.2937 -0.8747101 1.832397 
1 1 1    1    1   43 o   60.679   0.9819  494.808   16.004  494.314   22.645  495.301   22.621   60.629   1.3906   60.689   1.3877 -0.6064987E-01 1.964553 
1 1 1    1    1   44 o   28.679   0.9458  110.531   7.2857  107.698   9.8318  113.983   10.850   28.300   1.2935   29.111   1.3877 -0.8111324 1.897046 
1 1 1    1    1   45 o   57.932   0.9557  451.104   14.871  456.300   21.037  445.916   21.023   58.241   1.3448   57.573   1.3595 0.6675797 1.912295 
1 1 1    1    1   46 o   45.647   0.7902  280.011   9.6882  288.159   13.786  272.060   13.618   46.291   1.1088   44.978   1.1273 1.312656 1.581177 
1 1 1    1    1   47 o   42.369   0.8611  241.296   9.7997  236.662   13.729  246.110   13.993   41.941   1.2187   42.770   1.2181 -0.8290100 1.723087 
1 1 1    1    1   48 o   56.838   0.8559  434.284   13.066  431.628   18.477  436.942   18.480   56.635   1.2147   56.984   1.2074 -0.3482590 1.712665 
1 1 1    1    1   49 o   50.869   0.7931  347.830   10.836  353.416   15.399  342.351   15.252   51.253   1.1186   50.443   1.1257 0.8093033 1.586988 
1 1 1    1    1   50 o   48.760   0.8165  319.625   10.693  306.176   14.968  333.642   15.281   47.697   1.1684   49.793   1.1426 -2.095745 1.634189 
1 1 1    1    1   51 o   37.268   0.8726  186.764   8.7344  165.520   12.189  209.186   12.522   35.057   1.2945   39.420   1.1827 -4.363060 1.753430 
1 1 1    1    1   52 o   41.381   0.9707  230.378   10.790  216.855   15.067  244.613   15.458   40.110   1.3986   42.605   1.3508 -2.495068 1.944400 
1 1 1    1    1   53 o   37.784   1.0196  192.142   10.347  184.536   14.487  200.062   14.784   36.986   1.4583   38.514   1.4291 -1.527832 2.041857 
1 1 1    1    1   54 o   66.658   0.8570  597.723   15.344  595.772   21.724  599.665   21.675   66.492   1.2164   66.710   1.2097 -0.2181015 1.715499 
1 1 1    1    1   55 o   45.513   1.0883  278.983   13.304  262.463   18.535  296.535   19.106   44.077   1.5657   46.859   1.5180 -2.782032 2.180769 
1 1 1    1    1   56 o   9.6631   2.7057   13.133   7.3012   17.398   10.381   8.9579   10.271   11.127   3.2622   8.9251   3.2730 2.202199 4.621099 
1 1 1    1    1   57 f   14.164   1.9854   27.727   7.3459   26.770   10.552   28.626   10.232   13.716   2.9519   14.228   2.7772 -0.5119810 4.052993 
1 1 1    1    1   58 o   11.187   2.7832   17.823   8.3287   20.546   11.762   15.085   11.795   12.027   3.4571   10.647   3.5338 1.380242 4.943601 
1 1 1    1    1   59 o   16.275   1.7849   36.336   7.6745   43.750   10.914   29.085   10.793   17.755   2.3462   14.288   2.9113 3.466204 3.738992 
1 1 1    1    1   60 o   43.289   1.1569  252.869   13.451  252.821   19.115  252.916   18.931   43.179   1.6482   43.191   1.6319 -0.1219559E-01 2.319398 
1 1 1    1    1   61 o   30.220   1.2816  123.515   10.403  119.936   14.845  126.969   14.581   29.603   1.8768   30.488   1.7885 -0.8847141 2.592472 
1 1 1    1    1   62 o   9.9639   2.8080   14.270   7.8371   13.234   11.142   15.285   11.026   9.9674   3.4339   10.465   3.4139 -0.4978123 4.842106 
1 1 1    1    1   63 o   21.001   1.5395   60.394   8.6236   71.064   12.224   49.824   12.167   22.636   2.0322   18.772   2.4734 3.864569 3.201205 
1 1 1    1    1   64 o   44.549   1.0319  268.554   12.347  270.908   16.542  265.593   18.552   44.611   1.3806   44.086   1.5668 0.5250740 2.088225 
1 1 1    2    0  -64 o   9.3145   4.0178   18.560   10.335   18.560   10.335   18.560   10.335   9.3145   4.0178   9.3145   4.0178 0.000000 0.000000 
1 1 1    2    0  -63 o   4.4730   3.0539  -5.1927   11.445  -5.1927   11.445  -5.1927   11.445   4.4730   3.0539   4.4730   3.0539 0.000000 0.000000 
1 1 1    2    0  -62 o   35.339   1.5445  171.293   14.596  171.293   14.596  171.293   14.596   35.339   1.5445   35.339   1.5445 0.000000 0.000000 
1 1 1    2    0  -61 o   14.881   3.1854   34.763   11.181   34.763   11.181   34.763   11.181   14.881   3.1854   14.881   3.1854 0.000000 0.000000 
1 1 1    2    0  -60 f   12.905   3.5807   27.869   10.735   27.869   10.735   27.869   10.735   12.905   3.5807   12.905   3.5807 -0.000000 0.000000 
1 1 1    2    0  -59 o   7.2199   4.3234   8.6096   14.963   8.6096   14.963   8.6096   14.963   7.2199   4.3234   7.2199   4.3234 -0.000000 0.000000 
1 1 1    2    0  -58 o   27.894   1.7173  106.610   12.754  106.610   12.754  106.610   12.754   27.894   1.7173   27.894   1.7173 -0.000000 0.000000 
1 1 1    2    0  -57 o   10.190   3.8198   19.286   9.7598   19.286   9.7598   19.286   9.7598   10.190   3.8198   10.190   3.8198 -0.000000 0.000000 
1 1 1    2    0  -56 f   7.8271   3.8766   12.581   9.8165   12.581   9.8165   12.581   9.8165   7.8271   3.8766   7.8271   3.8766 0.000000 0.000000 
1 1 1    2    0  -55 o   21.555   2.5157   65.840   14.046   65.840   14.046   65.840   14.046   21.555   2.5157   21.555   2.5157 0.000000 0.000000 
1 1 1    2    0  -54 f   31.364   1.4212  133.540   11.916  133.540   11.916  133.540   11.916   31.364   1.4212   31.364   1.4212 0.000000 0.000000 
1 1 1    2    0  -53 o   42.801   1.2440  247.443   14.274  247.443   14.274  247.443   14.274   42.801   1.2440   42.801   1.2440 0.000000 0.000000 
1 1 1    2    0  -52 o   22.253   1.7866   68.158   10.520   68.158   10.520   68.158   10.520   22.253   1.7866   22.253   1.7866 -0.000000 0.000000 
1 1 1    2    0  -51 o   24.640   1.5626   82.828   10.246   82.828   10.246   82.828   10.246   24.640   1.5626   24.640   1.5626 0.000000 0.000000 
1 1 1    2    0  -50 o   12.533   2.7767   24.130   8.1721   24.130   8.1721   24.130   8.1721   12.533   2.7767   12.533   2.7767 0.000000 0.000000 
1 1 1    2    0  -49 o   50.767   1.3863  347.758   18.871  347.758   18.871  347.758   18.871   50.767   1.3863   50.767   1.3863 -0.000000 0.000000 
1 1 1    2    0  -48 o   54.293   1.1942  397.121   17.395  397.121   17.395  397.121   17.395   54.293   1.1942   54.293   1.1942 0.000000 0.000000 
1 1 1    2    0  -47 o   75.400   1.1851  765.196   23.987  765.196   23.987  765.196   23.987   75.400   1.1851   75.400   1.1851 -0.000000 0.000000 
1 1 1    2    0  -46 o   19.049   1.9361   50.386   9.6714   50.386   9.6714   50.386   9.6714   19.049   1.9361   19.049   1.9361 -0.000000 0.000000 
1 1 1    2    0  -45 o   55.021   1.2269  407.635   18.111  407.635   18.111  407.635   18.111   55.021   1.2269   55.021   1.2269 -0.000000 0.000000 
1 1 1    2    0  -44 o   66.489   1.1226  594.682   20.035  594.682   20.035  594.682   20.035   66.489   1.1226   66.489   1.1226 0.000000 0.000000 
1 1 1    2    0  -43 o   23.609   1.3816   75.697   8.6921   75.697   8.6921   75.697   8.6921   23.609   1.3816   23.609   1.3816 0.000000 0.000000 
1 1 1    2    0  -42 o   17.808   2.3944   44.947   10.871   44.947   10.871   44.947   10.871   17.808   2.3944   17.808   2.3944 0.000000 0.000000 
1 1 1    2    0  -41 o   20.770   1.4961   58.885   8.2470   58.885   8.2470   58.885   8.2470   20.770   1.4961   20.770   1.4961 0.000000 0.000000 
1 1 1    2    0  -40 f   65.489   1.0928  576.704   19.210  576.704   19.210  576.704   19.210   65.489   1.0928   65.489   1.0928 0.000000 0.000000 
1 1 1    2    0  -39 o   35.253   1.0974  167.452   10.368  167.452   10.368  167.452   10.368   35.253   1.0974   35.253   1.0974 -0.000000 0.000000 
1 1 1    2    0  -38 f  146.572   1.7478  2888.79   68.783  2888.79   68.783  2888.79   68.783  146.572   1.7478  146.572   1.7478 0.000000 0.000000 
1 1 1    2    0  -37 o   23.093   1.4099   72.445   8.6702   72.445   8.6702   72.445   8.6702   23.093   1.4099   23.093   1.4099 0.000000 0.000000 
1 1 1    2    0  -36 o   24.046   1.3869   78.450   8.8889   78.450   8.8889   78.450   8.8889   24.046   1.3869   24.046   1.3869 0.000000 0.000000 
1 1 1    2    0  -35 o   22.973   1.3222   71.598   8.0964   71.598   8.0964   71.598   8.0964   22.973   1.3222   22.973   1.3222 -0.000000 0.000000 
1 1 1    2    0  -34 o  245.926   3.3686  8138.68  222.416  8138.68  222.416  8138.68  222.416  245.926   3.3686  245.926   3.3686 0.000000 0.000000 
1 1 1    2    0  -33 o  106.883   1.5116  1535.51   43.374  1535.51   43.374  1535.51   43.374  106.883   1.5116  106.883   1.5116 0.000000 0.000000 
1 1 1    2    0  -32 o   40.823   1.1617  224.377   12.714  224.377   12.714  224.377   12.714   40.823   1.1617   40.823   1.1617 0.000000 0.000000 
1 1 1    2    0  -31 o   8.5735   3.5507   13.872   8.1283   13.872   8.1283   13.872   8.1283   8.5735   3.5507   8.5735   3.5507 0.000000 0.000000 
1 1 1    2    0  -30 o   74.374   1.8853  744.481   37.607  744.481   37.607  744.481   37.607   74.374   1.8853   74.374   1.8853 0.000000 0.000000 
1 1 1    2    0  -29 o  584.294   7.8047 46051.08  1224.35 46051.08  1224.35 46051.08  1224.35  584.294   7.8047  584.294   7.8047 -0.000000 0.000000 
1 1 1    2    0  -28 o  202.226   2.2918  5495.90  124.446  5495.90  124.446  5495.90  124.446  202.226   2.2918  202.226   2.2918 -0.000000 0.000000 
1 1 1    2    0  -27 o   52.730   1.3796  374.201   19.509  374.201   19.509  374.201   19.509   52.730   1.3796   52.730   1.3796 -0.000000 0.000000 
1 1 1    2    0  -26 o  145.508   1.7170  2845.00   67.085  2845.00   67.085  2845.00   67.085  145.508   1.7170  145.508   1.7170 -0.000000 0.000000 
1 1 1    2    0  -25 o   21.944   1.1882   65.238   6.9560   65.238   6.9560   65.238   6.9560   21.944   1.1882   21.944   1.1882 -0.000000 0.000000 
1 1 1    2    0  -24 o  182.730   3.6147  4491.95  177.252  4491.95  177.252  4491.95  177.252  182.730   3.6147  182.730   3.6147 -0.000000 0.000000 
1 1 1    2    0  -23 o   57.820   1.6657  450.132   25.820  450.132   25.820  450.132   25.820   57.820   1.6657   57.820   1.6657 -0.000000 0.000000 
1 1 1    2    0  -22 o  288.692   3.4946 11201.50  270.881 11201.50  270.881 11201.50  270.881  288.692   3.4946  288.692   3.4946 0.000000 0.000000 
1 1 1    2    0  -21 o  231.005   2.5836  7170.23  160.257  7170.23  160.257  7170.23  160.257  231.005   2.5836  231.005   2.5836 -0.000000 0.000000 
1 1 1    2    0  -20 o  451.602   4.9233 27410.62  597.018 27410.62  597.018 27410.62  597.018  451.602   4.9233  451.602   4.9233 -0.000000 0.000000 
1 1 1    2    0  -19 o  398.250   5.3306 21320.04  569.966 21320.04  569.966 21320.04  569.966  398.250   5.3306  398.250   5.3306 -0.000000 0.000000 
1 1 1    2    0  -18 o  217.581   2.6752  6361.21  156.288  6361.21  156.288  6361.21  156.288  217.581   2.6752  217.581   2.6752 -0.000000 0.000000 
1 1 1    2    0  -17 o   28.212   1.4034  107.683   10.574  107.683   10.574  107.683   10.574   28.212   1.4034   28.212   1.4034 -0.000000 0.000000 
1 1 1    2    0  -16 o  361.127   4.8462 17527.87  469.868 17527.87  469.868 17527.87  469.868  361.127   4.8462  361.127   4.8462 0.000000 0.000000 
1 1 1    2    0  -15 o  200.690   2.2617  5411.34  121.880  5411.34  121.880  5411.34  121.880  200.690   2.2617  200.690   2.2617 0.000000 0.000000 
1 1 1    2    0  -14 o  259.801   2.8790  9068.70  200.843  9068.70  200.843  9068.70  200.843  259.801   2.8790  259.801   2.8790 0.000000 0.000000 
1 1 1    2    0  -13 o  570.226   7.5886 43721.10  1161.80 43721.10  1161.80 43721.10  1161.80  570.226   7.5886  570.226   7.5886 -0.000000 0.000000 
1 1 1    2    0  -12 o  267.901   3.6276  9645.55  260.921  9645.55  260.921  9645.55  260.921  267.901   3.6276  267.901   3.6276 0.000000 0.000000 
1 1 1    2    0  -11 o  185.241   2.9693  4612.40  147.648  4612.40  147.648  4612.40  147.648  185.241   2.9693  185.241   2.9693 -0.000000 0.000000 
1 1 1    2    0  -10 o   94.584   1.2029  1202.03   30.548  1202.03   30.548  1202.03   30.548   94.584   1.2029   94.584   1.2029 0.000000 0.000000 
1 1 1    2    0   -9 o  206.149   2.5342  5710.49  140.270  5710.49  140.270  5710.49  140.270  206.149   2.5342  206.149   2.5342 0.000000 0.000000 
1 1 1    2    0   -8 o  726.515   11.164 71119.68  2177.25 71119.68  2177.25 71119.68  2177.25  726.515   11.164  726.515   11.164 0.000000 0.000000 
1 1 1    2    0   -7 o   89.990   1.4169  1088.42   34.227  1088.42   34.227  1088.42   34.227   89.990   1.4169   89.990   1.4169 0.000000 0.000000 
1 1 1    2    0   -6 o  675.166   8.0324 61341.04  1456.16 61341.04  1456.16 61341.04  1456.16  675.166   8.0324  675.166   8.0324 -0.000000 0.000000 
1 1 1    2    0   -5 o   85.211   1.5674  976.162   35.845  976.162   35.845  976.162   35.845   85.211   1.5674   85.211   1.5674 0.000000 0.000000 
1 1 1    2    0   -4 o  308.038   3.7072 12753.15  306.618 12753.15  306.618 12753.15  306.618  308.038   3.7072  308.038   3.7072 -0.000000 0.000000 
1 1 1    2    0   -3 o  555.309   7.3958 41495.43  1102.65 41495.43  1102.65 41495.43  1102.65  555.309   7.3958  555.309   7.3958 0.000000 0.000000 
1 1 1    2    0   -2 o  180.359   2.4990  4371.80  121.006  4371.80  121.006  4371.80  121.006  180.359   2.4990  180.359   2.4990 -0.000000 0.000000 
1 1 1    2    0   -1 o  421.266   6.5023 23877.14  735.328 23877.14  735.328 23877.14  735.328  421.266   6.5023  421.266   6.5023 0.000000 0.000000 
1 1 1    2    0    1 o   56.417   1.4898  428.359   22.539  428.359   22.539  428.359   22.539   56.417   1.4898   56.417   1.4898 0.000000 0.000000 
1 1 1    2    0    2 o  402.517   5.3803 21787.35  581.446 21787.35  581.446 21787.35  581.446  402.517   5.3803  402.517   5.3803 -0.000000 0.000000 
1 1 1    2    0    3 o  386.005   5.9661 20043.56  618.218 20043.56  618.218 20043.56  618.218  386.005   5.9661  386.005   5.9661 0.000000 0.000000 
1 1 1    2    0    4 o   65.382   0.9352  574.450   16.415  574.450   16.415  574.450   16.415   65.382   0.9352   65.382   0.9352 -0.000000 0.000000 
1 1 1    2    0    5 o  112.846   1.3643  1711.00   41.338  1711.00   41.338  1711.00   41.338  112.846   1.3643  112.846   1.3643 -0.000000 0.000000 
1 1 1    2    0    6 o  434.944   6.7096 25451.65  783.409 25451.65  783.409 25451.65  783.409  434.944   6.7096  434.944   6.7096 0.000000 0.000000 
1 1 1    2    0    7 o  450.862   6.0217 27336.14  728.923 27336.14  728.923 27336.14  728.923  450.862   6.0217  450.862   6.0217 -0.000000 0.000000 
1 1 1    2    0    8 o  248.804   2.7585  8317.75  184.291  8317.75  184.291  8317.75  184.291  248.804   2.7585  248.804   2.7585 -0.000000 0.000000 
1 1 1    2    0    9 o  152.201   2.4908  3113.84  101.760  3113.84  101.760  3113.84  101.760  152.201   2.4908  152.201   2.4908 -0.000000 0.000000 
1 1 1    2    0   10 o  488.428   5.8221 32070.11  763.539 32070.11  763.539 32070.11  763.539  488.428   5.8221  488.428   5.8221 -0.000000 0.000000 
1 1 1    2    0   11 o   52.422   1.2341  369.675   17.355  369.675   17.355  369.675   17.355   52.422   1.2341   52.422   1.2341 -0.000000 0.000000 
1 1 1    2    0   12 o  413.172   4.9378 22943.08  547.797 22943.08  547.797 22943.08  547.797  413.172   4.9378  413.172   4.9378 -0.000000 0.000000 
1 1 1    2    0   13 o  472.624   5.1463 30018.43  653.106 30018.43  653.106 30018.43  653.106  472.624   5.1463  472.624   5.1463 0.000000 0.000000 
1 1 1    2    0   14 o  601.494   6.5316 48628.19  1054.95 48628.19  1054.95 48628.19  1054.95  601.494   6.5316  601.494   6.5316 -0.000000 0.000000 
1 1 1    2    0   15 o  207.260   4.0397  5776.54  224.693  5776.54  224.693  5776.54  224.693  207.260   4.0397  207.260   4.0397 0.000000 0.000000 
1 1 1    2    0   16 o  827.236   9.8279 92038.53  2182.94 92038.53  2182.94 92038.53  2182.94  827.236   9.8279  827.236   9.8279 -0.000000 0.000000 
1 1 1    2    0   17 o  315.157   3.4650 13345.50  293.230 13345.50  293.230 13345.50  293.230  315.157   3.4650  315.157   3.4650 0.000000 0.000000 
1 1 1    2    0   18 o  565.986   6.7368 43063.51  1023.80 43063.51  1023.80 43063.51  1023.80  565.986   6.7368  565.986   6.7368 -0.000000 0.000000 
1 1 1    2    0   19 o  255.884   2.8411  8797.50  195.211  8797.50  195.211  8797.50  195.211  255.884   2.8411  255.884   2.8411 0.000000 0.000000 
1 1 1    2    0   20 o   38.197   1.6497  197.038   16.853  197.038   16.853  197.038   16.853   38.197   1.6497   38.197   1.6497 -0.000000 0.000000 
1 1 1    2    0   21 o  214.585   3.4104  6190.23  196.451  6190.23  196.451  6190.23  196.451  214.585   3.4104  214.585   3.4104 0.000000 0.000000 
1 1 1    2    0   22 o   85.658   1.4278  986.255   32.829  986.255   32.829  986.255   32.829   85.658   1.4278   85.658   1.4278 0.000000 0.000000 
1 1 1    2    0   23 o  285.289   3.4569 10939.75  264.797 10939.75  264.797 10939.75  264.797  285.289   3.4569  285.289   3.4569 -0.000000 0.000000 
1 1 1    2    0   24 o   56.882   1.6525  435.676   25.198  435.676   25.198  435.676   25.198   56.882   1.6525   56.882   1.6525 -0.000000 0.000000 
1 1 1    2    0   25 o   72.056   1.0717  697.781   20.732  697.781   20.732  697.781   20.732   72.056   1.0717   72.056   1.0717 -0.000000 0.000000 
1 1 1    2    0   27 o  195.404   2.2204  5131.17  116.502  5131.17  116.502  5131.17  116.502  195.404   2.2204  195.404   2.2204 -0.000000 0.000000 
1 1 1    2    0   28 o  175.433   2.8650  4138.48  134.916  4138.48  134.916  4138.48  134.916  175.433   2.8650  175.433   2.8650 0.000000 0.000000 
1 1 1    2    0   29 o  190.405   2.6674  4873.86  136.354  4873.86  136.354  4873.86  136.354  190.405   2.6674  190.405   2.6674 0.000000 0.000000 
1 1 1    2    0   30 o  217.810   2.4548  6376.29  143.571  6376.29  143.571  6376.29  143.571  217.810   2.4548  217.810   2.4548 0.000000 0.000000 
1 1 1    2    0   31 o   45.405   1.4762  277.795   17.960  277.795   17.960  277.795   17.960   45.405   1.4762   45.405   1.4762 0.000000 0.000000 
1 1 1    2    0   32 o  208.579   2.5858  5848.89  144.813  5848.89  144.813  5848.89  144.813  208.579   2.5858  208.579   2.5858 -0.000000 0.000000 
1 1 1    2    0   33 o   28.663   1.5313  111.301   11.712  111.301   11.712  111.301   11.712   28.663   1.5313   28.663   1.5313 -0.000000 0.000000 
1 1 1    2    0   34 o   83.192   1.6489  930.882   36.813  930.882   36.813  930.882   36.813   83.192   1.6489   83.192   1.6489 0.000000 0.000000 
1 1 1    2    0   35 o  116.101   1.5974  1811.99   49.792  1811.99   49.792  1811.99   49.792  116.101   1.5974  116.101   1.5974 0.000000 0.000000 
1 1 1    2    0   36 o   36.295   1.2588  177.605   12.238  177.605   12.238  177.605   12.238   36.295   1.2588   36.295   1.2588 0.000000 0.000000 
1 1 1    2    0   37 o   93.344   1.2643  1171.21   31.685  1171.21   31.685  1171.21   31.685   93.344   1.2643   93.344   1.2643 0.000000 0.000000 
1 1 1    2    0   38 f   41.937   1.0548  236.707   11.864  236.707   11.864  236.707   11.864   41.937   1.0548   41.937   1.0548 0.000000 0.000000 
1 1 1    2    0   39 o   12.413   2.4916   23.057   7.3663   23.057   7.3663   23.057   7.3663   12.413   2.4916   12.413   2.4916 -0.000000 0.000000 
1 1 1    2    0   40 f   91.253   1.3860  1119.88   33.952  1119.88   33.952  1119.88   33.952   91.253   1.3860   91.253   1.3860 0.000000 0.000000 
1 1 1    2    0   41 o   75.508   1.2763  766.863   25.867  766.863   25.867  766.863   25.867   75.508   1.2763   75.508   1.2763 -0.000000 0.000000 
1 1 1    2    0   42 o   71.028   1.1391  678.461   21.718  678.461   21.718  678.461   21.718   71.028   1.1391   71.028   1.1391 0.000000 0.000000 
1 1 1    2    0   43 o  142.323   1.7182  2725.87   65.658  2725.87   65.658  2725.87   65.658  142.323   1.7182  142.323   1.7182 0.000000 0.000000 
1 1 1    2    0   44 o   28.927   1.6749  113.705   12.914  113.705   12.914  113.705   12.914   28.927   1.6749   28.927   1.6749 -0.000000 0.000000 
1 1 1    2    0   45 o  123.912   1.6957  2067.73   56.411  2067.73   56.411  2067.73   56.411  123.912   1.6957  123.912   1.6957 0.000000 0.000000 
1 1 1    2    0   46 o   71.083   1.1600  679.938   22.133  679.938   22.133  679.938   22.133   71.083   1.1600   71.083   1.1600 -0.000000 0.000000 
1 1 1    2    0   47 o   21.805   1.5892   65.030   9.1935   65.030   9.1935   65.030   9.1935   21.805   1.5892   21.805   1.5892 -0.000000 0.000000 
1 1 1    2    0   48 o   63.367   1.2331  540.831   20.969  540.831   20.969  540.831   20.969   63.367   1.2331   63.367   1.2331 -0.000000 0.000000 
1 1 1    2    0   49 o   21.336   1.6201   62.393   9.1613   62.393   9.1613   62.393   9.1613   21.336   1.6201   21.336   1.6201 0.000000 0.000000 
1 1 1    2    0   50 o   58.587   1.1417  462.354   17.950  462.354   17.950  462.354   17.950   58.587   1.1417   58.587   1.1417 -0.000000 0.000000 
1 1 1    2    0   51 o   43.580   1.1777  256.190   13.762  256.190   13.762  256.190   13.762   43.580   1.1777   43.580   1.1777 -0.000000 0.000000 
1 1 1    2    0   52 o   8.7704   3.9794   15.339   10.126   15.339   10.126   15.339   10.126   8.7704   3.9794   8.7704   3.9794 0.000000 0.000000 
1 1 1    2    0   53 o   21.176   1.8131   61.941   10.139   61.941   10.139   61.941   10.139   21.176   1.8131   21.176   1.8131 0.000000 0.000000 
1 1 1    2    0   54 f   45.649   1.7066  282.932   20.859  282.932   20.859  282.932   20.859   45.649   1.7066   45.649   1.7066 0.000000 0.000000 
1 1 1    2    0   55 o   10.453   3.7606   19.873   9.6652   19.873   9.6652   19.873   9.6652   10.453   3.7606   10.453   3.7606 0.000000 0.000000 
1 1 1    2    0   56 f   14.103   3.0495   30.681   10.131   30.681   10.131   30.681   10.131   14.103   3.0495   14.103   3.0495 -0.000000 0.000000 
1 1 1    2    0   57 o   26.547   2.9149  100.153   20.146  100.153   20.146  100.153   20.146   26.547   2.9149   26.547   2.9149 0.000000 0.000000 
1 1 1    2    0   58 o   43.392   1.3047  254.874   15.175  254.874   15.175  254.874   15.175   43.392   1.3047   43.392   1.3047 -0.000000 0.000000 
1 1 1    2    0   59 o   31.035   1.5507  131.415   12.853  131.415   12.853  131.415   12.853   31.035   1.5507   31.035   1.5507 -0.000000 0.000000 
1 1 1    2    0   60 f   7.2344   4.0626   10.505   11.935   10.505   11.935   10.505   11.935   7.2344   4.0626   7.2344   4.0626 -0.000000 0.000000 
1 1 1    2    0   61 o   3.8637   2.6880  -8.1796   9.9285  -8.1796   9.9285  -8.1796   9.9285   3.8637   2.6880   3.8637   2.6880 -0.000000 0.000000 
1 1 1    2    0   62 o   7.0428   4.2365   9.1124   14.499   9.1124   14.499   9.1124   14.499   7.0428   4.2365   7.0428   4.2365 -0.000000 0.000000 
1 1 1    2    0   63 o   40.932   1.3702  229.135   15.025  229.135   15.025  229.135   15.025   40.932   1.3702   40.932   1.3702 -0.000000 0.000000 
1 1 1    2    0   64 o   16.243   3.2631   42.321   12.622   42.321   12.622   42.321   12.622   16.243   3.2631   16.243   3.2631 -0.000000 0.000000 
1 1 1    2    1  -64 o   28.891   1.1250  113.129   8.7302  104.701   12.328  121.606   12.365   27.596   1.6711   29.795   1.5504 -2.198641 2.279595 
1 1 1    2    1  -63 o   33.636   1.1125  153.102   10.050  171.773   13.672  131.151   14.824   35.539   1.4323   30.895   1.7941 4.644054 2.295747 
1 1 1    2    1  -62 o   10.852   2.6246   17.012   7.5664   21.618   10.667   12.347   10.735   12.144   3.2184   9.6903   3.3687 2.453980 4.659023 
1 1 1    2    1  -61 o   17.067   1.9317   40.240   8.6991   45.596   11.404   32.786   13.454   18.049   2.4126   14.969   3.4209 3.079916 4.186102 
1 1 1    2    1  -60 o   11.205   2.8476   18.013   8.5877   14.007   12.038   22.165   12.254   10.363   3.5694   12.395   3.5176 -2.032869 5.011355 
1 1 1    2    1  -59 o   29.849   1.1582  120.150   9.2857  125.479   13.311  115.099   12.960   30.398   1.6363   29.104   1.6648 1.293924 2.334322 
1 1 1    2    1  -58 o   58.658   0.9409  463.203   14.824  471.379   21.129  455.277   20.804   59.101   1.3310   58.083   1.3336 1.018757 1.884142 
1 1 1    2    1  -57 o   35.461   0.9948  169.302   9.4748  168.401   13.298  170.231   13.503   35.322   1.4017   35.512   1.4157 -0.1896782 1.992207 
1 1 1    2    1  -56 o   43.181   1.0357  251.078   12.012  258.577   17.129  243.822   16.851   43.763   1.4573   42.493   1.4764 1.269997 2.074466 
1 1 1    2    1  -55 o   8.9579   2.6279   11.155   6.7347   5.9444   9.7059   15.992   9.3525   8.0972   3.1340   10.670   3.0873 -2.572701 4.399251 
1 1 1    2    1  -54 o   20.849   1.3580   58.871   7.5631   65.512   10.582   51.936   10.814   21.930   1.8127   19.456   2.1028 2.474155 2.776328 
1 1 1    2    1  -53 o   52.187   0.9334  366.431   13.083  373.625   18.642  359.449   18.365   52.648   1.3183   51.638   1.3241 1.009296 1.868520 
1 1 1    2    1  -52 o   37.172   0.9452  185.878   9.4368  185.617   14.288  186.081   12.568   37.104   1.4337   37.167   1.2589 -0.6311417E-01 1.908022 
1 1 1    2    1  -51 f   47.598   0.8239  304.619   10.533  313.151   14.932  296.170   14.859   48.233   1.1526   46.905   1.1794 1.328457 1.649107 
1 1 1    2    1  -50 o   44.134   0.8237  261.867   9.7639  263.750   13.914  260.040   13.705   44.268   1.1702   43.957   1.1608 0.3116608 1.648287 
1 1 1    2    1  -49 o   36.863   0.9086  182.712   8.9956  187.955   12.853  177.678   12.594   37.366   1.2807   36.329   1.2907 1.036572 1.818267 
1 1 1    2    1  -48 f   79.428   0.8565  848.096   18.272  885.960   26.339  812.969   25.369   81.141   1.2085   77.726   1.2152 3.415146 1.713834 
1 1 1    2    1  -47 o   46.364   0.7945  288.912   9.8939  282.955   13.894  295.040   14.092   45.865   1.1278   46.835   1.1203 -0.9696884 1.589666 
1 1 1    2    1  -46 o   59.640   0.9006  478.110   14.427  456.103   21.365  496.555   19.560   58.217   1.3663   60.758   1.1986 -2.541313 1.817531 
1 1 1    2    1  -45 f   71.750   0.9384  691.948   18.085  695.946   24.270  686.956   27.118   71.933   1.2562   71.453   1.4130 0.4804535 1.890646 
1 1 1    2    1  -44 o  112.963   1.0252  1715.17   31.104  1715.93   43.979  1714.41   43.997  112.940   1.4498  112.890   1.4510 0.5030823E-01 2.051184 
1 1 1    2    1  -43 o   58.140   0.7646  454.140   11.940  445.474   16.763  463.065   17.012   57.570   1.0841   58.696   1.0791 -1.125900 1.529585 
1 1 1    2    1  -42 o   69.265   0.8796  644.607   16.365  647.789   23.197  641.455   23.090   69.419   1.2441   69.078   1.2445 0.3402100 1.759696 
1 1 1    2    1  -41 o   80.890   1.0443  879.263   22.688  860.634   31.825  898.514   32.353   80.004   1.4811   81.746   1.4735 -1.742203 2.089209 
1 1 1    2    1  -40 o   56.591   0.7531  430.210   11.447  429.372   16.210  431.043   16.167   56.527   1.0677   56.637   1.0628 -0.1100502 1.506441 
1 1 1    2    1  -39 o   83.679   0.9877  940.782   22.199  953.523   33.624  930.936   29.557   84.220   1.4864   83.225   1.3222 0.9947433 1.989396 
1 1 1    2    1  -38 o   66.984   0.7739  602.709   13.923  610.613   19.774  594.940   19.607   67.414   1.0921   66.543   1.0970 0.8709717 1.547942 
1 1 1    2    1  -37 f  195.585   1.7291  5142.44   90.834  5118.72  128.092  5166.43  128.828  195.036   2.4452  195.942   2.4479 -0.9063263 3.459947 
1 1 1    2    1  -36 o   34.645   0.7758  161.215   7.2185  158.523   10.206  163.909   10.211   34.351   1.1062   34.930   1.0883 -0.5788612 1.551840 
1 1 1    2    1  -35 o   63.200   0.7571  536.487   12.851  529.242   18.126  543.809   18.223   62.768   1.0751   63.626   1.0663 -0.8581047 1.514272 
1 1 1    2    1  -34 o   37.537   1.0912  189.271   11.001  183.854   15.497  194.774   15.620   36.991   1.5598   38.074   1.5274 -1.083103 2.183109 
1 1 1    2    1  -33 o   24.741   1.0930   82.221   7.2631   81.254   10.417   83.135   10.132   24.541   1.5890   24.829   1.5267 -0.2877769 2.203521 
1 1 1    2    1  -32 o   93.278   1.7601  1169.02   44.096  1117.50   52.855  1287.00   79.982   91.189   2.1580   97.827   3.0440 -6.638084 3.731307 
1 1 1    2    1  -31 o  218.544   2.0121  6417.55  118.109  6518.69  178.937  6339.46  157.225  220.187   3.0256  217.165   2.6955 3.021301 4.052185 
1 1 1    2    1  -30 o  115.564   1.1161  1793.78   34.642  1813.64   45.026  1764.97   54.229  116.196   1.4427  114.620   1.7615 1.576263 2.276905 
1 1 1    2    1  -29 o  199.423   2.2605  5343.75  121.080  5380.09  171.884  5307.95  170.589  200.046   3.1990  198.700   3.1964 1.345505 4.522218 
1 1 1    2    1  -28 o  264.221   2.2733  9380.30  161.328  9183.68  225.132  9587.83  231.297  261.372   3.2069  267.060   3.2246 -5.687805 4.547750 
1 1 1    2    1  -27 o  379.273   2.9355 19333.58  299.038 19525.74  425.614 19146.23  420.245  381.000   4.1591  377.281   4.1471 3.719055 5.873380 
1 1 1    2    1  -26 o  118.555   1.0317  1887.73   32.853  1851.76   45.984  1925.24   46.955  117.414   1.4581  119.721   1.4602 -2.307091 2.063578 
1 1 1    2    1  -25 o  254.915   2.0046  8730.20  137.253  8677.60  193.427  8783.54  194.788  254.096   2.8342  255.642   2.8369 -1.546204 4.010044 
1 1 1    2    1  -24 o  188.037   1.5138  4749.25   76.453  4739.56  107.906  4759.02  108.337  187.829   2.1389  188.214   2.1430 -0.3850250 3.027798 
1 1 1    2    1  -23 o   79.315   1.2350  844.915   26.309  821.839   33.661  881.139   42.174   78.221   1.6022   80.991   1.9387 -2.769699 2.515079 
1 1 1    2    1  -22 o  597.366   5.0264 47987.40  806.478 47136.39  1127.46 48879.07  1154.07  591.651   7.0948  602.480   7.1318 -10.82935 10.05978 
1 1 1    2    1  -21 o  700.157   5.3700 65916.03  1009.87 65987.73  1428.57 65844.41  1427.77  700.103   7.5971  699.342   7.6011 0.7615356 10.74675 
1 1 1    2    1  -20 o  375.178   2.9019 18908.71  292.421 18878.14  412.976 18939.46  414.118  374.820   4.1021  375.428   4.1068 -0.6079102 5.804613 
1 1 1    2    1  -19 o  216.114   2.2468  6273.21  130.418  6174.26  170.652  6412.15  202.216  214.392   2.9635  218.473   3.4461 -4.081680 4.545112 
1 1 1    2    1  -18 o  147.236   1.4059  2911.47   55.599  2941.18   83.837  2888.14   74.284  147.981   2.1093  146.642   1.8860 1.338654 2.829508 
1 1 1    2    1  -17 o  445.035   3.9594 26607.24  473.278 26474.04  708.085 26714.79  636.289  443.823   5.9400  445.871   5.3132 -2.048157 7.969491 
1 1 1    2    1  -16 o  152.021   1.5309  3103.78   62.511  3150.79  102.815  3076.21   78.735  153.162   2.4993  151.342   1.9369 1.819580 3.161972 
1 1 1    2    1  -15 o  371.356   2.8705 18523.24  286.314 18483.64  404.481 18563.01  405.339  370.927   4.0599  371.722   4.0598 -0.7955322 5.741534 
1 1 1    2    1  -14 o  300.779   2.2486 12150.74  181.660 12272.37  249.245 12012.91  265.320  302.266   3.0701  299.049   3.3032 3.217072 4.509592 
1 1 1    2    1  -13 o  261.116   2.2379  9157.58  156.955  9118.10  221.392  9197.46  222.548  260.538   3.1637  261.670   3.1665 -1.131317 4.476137 
1 1 1    2    1  -12 o  166.251   1.4744  3712.05   65.836  3839.53   86.663  3538.06  101.241  169.078   1.9083  162.301   2.3224 6.777023 3.005887 
1 1 1    2    1  -11 o  298.694   2.5447 11983.87  204.149 12027.36  264.320 11919.56  321.398  299.217   3.2889  297.851   4.0175 1.366669 5.192011 
1 1 1    2    1  -10 o  341.310   2.6426 15647.93  242.256 15713.70  343.699 15583.00  341.514  341.988   3.7418  340.563   3.7335 1.424866 5.285829 
1 1 1    2    1   -9 o  444.332   3.4217 26525.25  408.359 25796.12  566.770 27312.37  588.879  438.092   4.8167  450.779   4.8637 -12.68762 6.845186 
1 1 1    2    1   -8 o  187.290   1.7272  4711.34   86.887  4671.66  115.994  4762.07  131.152  186.491   2.3157  188.282   2.5934 -1.790848 3.476835 
1 1 1    2    1   -7 o  260.136   2.0329  9089.57  142.040  9076.75  200.688  9102.44  201.064  259.929   2.8746  260.297   2.8759 -0.3675842 4.066197 
1 1 1    2    1   -6 o  385.724   3.2613 19990.83  337.880 19627.23  527.772 20243.35  439.830  382.060   5.1431  388.088   4.2195 -6.028351 6.652485 
1 1 1    2    1   -5 o  276.082   2.3570 10238.98  174.776 10211.76  275.808 10257.24  225.928  275.658   3.7252  276.303   3.0443 -0.6445618 4.810903 
1 1 1    2    1   -4 o  612.566   5.4299 50468.93  893.374 49813.30  1188.97 51319.04  1353.88  608.209   7.2782  617.116   8.1681 -8.907043 10.94031 
1 1 1    2    1   -3 o  299.592   2.3275 12057.18  187.290 11701.52  259.709 12442.57  270.348  295.099   3.2766  304.298   3.3077 -9.199127 4.655914 
1 1 1    2    1   -2 f  549.282   5.5274 40584.63  815.470 42791.16  1578.66 39781.57  952.371  562.839   10.443  543.647   6.5222 19.19238 12.31218 
1 1 1    2    1   -1 f  510.944   4.5354 35098.70  622.416 35207.73  835.966 34963.07  932.361  511.509   6.0848  509.600   6.8118 1.909241 9.133732 
1 1 1    2    1    0 o  313.953   2.9817 13243.44  251.431 13543.74  510.092 13147.07  288.974  317.261   5.9861  312.784   3.4397 4.477020 6.903949 
1 1 1    2    1    1 f  285.919   2.4364 10982.13  187.104 10859.82  293.750 11065.63  242.708  284.254   3.8475  286.973   3.1488 -2.718811 4.971774 
1 1 1    2    1    2 f  481.451   4.0557 31156.40  524.451 30972.89  827.208 31279.74  678.170  479.714   6.4201  482.262   5.2356 -2.547943 8.284238 
1 1 1    2    1    3 o  293.240   2.4970 11551.82  196.670 11672.83  313.203 11473.04  252.703  294.698   3.9569  292.206   3.2198 2.492096 5.101392 
1 1 1    2    1    4 o  483.636   4.2955 31442.04  557.990 30939.53  828.437 31859.32  754.913  479.474   6.4328  486.649   5.7755 -7.174866 8.645087 
1 1 1    2    1    5 o  451.072   3.4720 27340.90  420.646 27760.68  601.033 26937.86  588.918  454.385   4.9247  447.603   4.8986 6.781708 6.946147 
1 1 1    2    1    6 o   48.265   0.8233  312.850   10.672  310.090   15.045  315.646   15.141   48.051   1.1657   48.479   1.1628 -0.4286003 1.646534 
1 1 1    2    1    7 o  393.212   3.0342 20772.65  320.448 20634.87  450.809 20913.38  455.593  391.827   4.2836  394.462   4.3001 -2.634216 6.069594 
1 1 1    2    1    8 o  177.462   1.5599  4229.75   74.352  4252.09  105.476  4207.69  104.826  177.921   2.2072  176.990   2.2051 0.9313049 3.119947 
1 1 1    2    1    9 o  266.291   2.0803  9524.48  148.793  9543.34  210.727  9505.73  210.125  266.533   2.9436  266.008   2.9410 0.5257263 4.161008 
1 1 1    2    1   10 o  278.090   2.1686 10387.19  161.979 10523.82  230.940 10254.89  227.252  279.891   3.0720  276.292   3.0623 3.599121 4.337583 
1 1 1    2    1   11 o  373.984   3.1668 18788.56  318.106 19029.07  414.458 18443.75  496.249  376.333   4.1003  370.457   4.9873 5.875885 6.456477 
1 1 1    2    1   12 o  393.283   3.5053 20778.14  370.269 20978.34  500.097 20535.23  550.853  395.123   4.7123  390.901   5.2466 4.221527 7.052096 
1 1 1    2    1   13 o  279.954   2.3925 10526.73  179.897 10610.15  285.665 10471.90  231.587  281.034   3.7845  279.212   3.0881 1.821594 4.884521 
1 1 1    2    1   14 o  357.463   3.0302 17163.64  290.936 16680.58  451.286 17507.19  380.583  352.345   4.7686  360.999   3.9251 -8.653168 6.176249 
1 1 1    2    1   15 o  227.121   1.8727  6928.00  114.237  6880.82  168.726  6967.93  155.228  226.336   2.7755  227.768   2.5374 -1.431198 3.760520 
1 1 1    2    1   16 o  239.947   2.0682  7732.69  133.293  7730.63  172.082  7735.78  210.753  239.908   2.6705  239.978   3.2697 -0.7090759E-01 4.221702 
1 1 1    2    1   17 o  158.714   1.6973  3383.14   72.353  3385.93   95.801  3379.43  110.388  158.776   2.2464  158.620   2.5910 0.1555176 3.429275 
1 1 1    2    1   18 o  389.544   3.1424 20383.50  328.784 20136.48  441.663 20690.54  492.406  387.138   4.2475  392.410   4.6719 -5.272095 6.314077 
1 1 1    2    1   19 o  117.504   1.3246  1854.33   41.804  1810.01   54.506  1917.64   65.146  116.089   1.7481  119.489   2.0299 -3.399872 2.678818 
1 1 1    2    1   20 o  248.625   2.3948  8303.05  159.921  8292.38  225.851  8313.79  226.476  248.441   3.3846  248.761   3.3896 -0.3203735 4.790078 
1 1 1    2    1   21 o  831.440   6.6584 93014.57  1486.93 93528.51  2021.02 92408.09  2195.46  833.067   9.0323  827.780   9.8746 5.287415 13.38244 
1 1 1    2    1   22 o   79.047   1.3784  839.227   29.264  838.227   41.377  840.227   41.395   78.996   1.9501   79.090   1.9487 -0.9421539E-01 2.756858 
1 1 1    2    1   23 o  149.858   1.1928  3016.23   48.011  3049.48   71.201  2988.51   65.016  150.674   1.7594  149.162   1.6228 1.511658 2.393517 
1 1 1    2    1   24 o  137.719   1.6399  2547.63   60.661  2626.47   87.501  2474.69   84.170  139.819   2.3300  135.719   2.3090 4.099731 3.280316 
1 1 1    2    1   25 o  291.237   2.2742 11396.66  177.900 11405.30  251.636 11388.03  251.542  291.274   3.2165  291.053   3.2177 0.2207031 4.549643 
1 1 1    2    1   26 o  232.251   1.8374  7246.14  114.621  7225.94  161.868  7266.45  162.329  231.892   2.5989  232.541   2.5990 -0.6491089 3.675442 
1 1 1    2    1   27 o  150.751   1.9450  3053.05   78.755  2982.93  122.830  3102.01  102.626  148.971   3.0698  151.937   2.5148 -2.966370 3.968356 
1 1 1    2    1   28 o  256.656   2.2126  8850.60  152.530  8870.68  216.136  8830.68  215.287  256.885   3.1325  256.306   3.1273 0.5794067 4.426364 
1 1 1    2    1   29 o  235.319   1.8618  7439.33  117.674  7340.66  164.995  7541.49  167.874  233.711   2.6284  236.885   2.6385 -3.174789 3.724285 
1 1 1    2    1   30 o  100.359   1.2182  1352.84   32.836  1368.60   43.698  1332.41   49.766  100.935   1.6119   99.586   1.8605 1.348648 2.461656 
1 1 1    2    1   31 o  135.223   1.1513  2456.06   41.814  2431.98   58.774  2480.73   59.500  134.547   1.6264  135.889   1.6302 -1.341827 2.302745 
1 1 1    2    1   32 o  108.671   1.7129  1586.64   49.997  1609.72   71.201  1564.19   70.221  109.435   2.4224  107.876   2.4235 1.558723 3.426569 
1 1 1    2    1   33 o  152.872   1.3935  3139.53   57.216  3106.88   80.418  3172.99   81.424  152.050   1.9691  153.659   1.9729 -1.608887 2.787420 
1 1 1    2    1   34 o   98.288   0.9214  1297.58   24.324  1269.89   34.087  1326.30   34.722   97.225   1.3053   99.361   1.3010 -2.136002 1.842973 
1 1 1    2    1   35 o   97.371   1.0029  1273.56   26.228  1276.43   37.082  1270.70   37.103   97.469   1.4165   97.249   1.4205 0.2191696 2.006011 
1 1 1    2    1   36 o   34.566   0.9568  160.501   8.8835  151.050   11.347  175.462   14.278   33.530   1.2600   36.135   1.4711 -2.605080 1.936937 
1 1 1    2    1   37 f   63.359   0.8253  539.232   14.045  544.411   19.975  534.169   19.751   63.655   1.1683   63.053   1.1662 0.6015587 1.650803 
1 1 1    2    1   38 o   79.325   0.8605  845.287   18.334  868.253   27.387  826.635   24.681   80.381   1.2685   78.435   1.1716 1.946404 1.726757 
1 1 1    2    1   39 o   23.939   0.9407   76.995   6.0483   82.538   8.5625   71.474   8.5447   24.748   1.2927   23.018   1.3886 1.730057 1.897151 
1 1 1    2    1   40 o   57.926   0.7558  450.756   11.759  450.095   16.655  451.412   16.604   57.875   1.0714   57.960   1.0666 -0.8475113E-01 1.511802 
1 1 1    2    1   41 o  145.008   1.3459  2826.74   52.418  2850.88   74.483  2803.04   73.783  145.551   1.9052  144.325   1.9034 1.225983 2.693099 
1 1 1    2    1   42 o   30.486   0.8493  124.868   6.9544  123.716   9.7926  126.040   9.8779   30.338   1.2018   30.622   1.2010 -0.2836170 1.699013 
1 1 1    2    1   43 o   55.560   0.8423  414.764   12.570  411.373   17.690  418.222   17.865   55.318   1.1906   55.777   1.1925 -0.4585381 1.685077 
1 1 1    2    1   44 o   47.815   0.8095  307.202   10.397  305.925   14.315  308.628   15.125   47.704   1.1172   47.912   1.1754 -0.2076492 1.621614 
1 1 1    2    1   45 f   72.044   0.9110  697.597   17.629  693.372   24.909  701.836   24.952   71.797   1.2917   72.234   1.2861 -0.4374008 1.822779 
1 1 1    2    1   46 o   88.921   0.8945  1062.81   21.364  1040.10   29.902  1086.48   30.535   87.927   1.2661   89.866   1.2650 -1.938911 1.789825 
1 1 1    2    1   47 o   10.662   2.0623   15.864   5.6920   8.5529   8.1049   22.980   7.9956   8.3990   2.9267   12.829   2.4088 -4.430421 3.790526 
1 1 1    2    1   48 f   33.035   0.9172  146.725   8.1379  139.006   11.144  155.546   11.912   32.136   1.2911   33.993   1.3047 -1.857330 1.835509 
1 1 1    2    1   49 o   72.101   0.8698  698.921   16.844  717.439   25.126  683.806   22.701   73.002   1.2814   71.283   1.1857 1.719292 1.745828 
1 1 1    2    1   50 o   48.224   0.8160  312.642   10.569  306.758   14.867  318.654   15.027   47.742   1.1594   48.660   1.1498 -0.9177856 1.632862 
1 1 1    2    1   51 f   44.025   0.9394  260.687   11.108  254.781   15.534  266.867   15.891   43.490   1.3299   44.510   1.3293 -1.019638 1.880304 
1 1 1    2    1   52 o   21.999   1.1850   65.354   6.9758   61.174   9.7441   69.749   9.9912   21.214   1.7251   22.671   1.6522 -1.457699 2.388634 
1 1 1    2    1   53 o   57.503   0.8338  444.727   12.878  442.286   18.190  447.179   18.235   57.302   1.1819   57.619   1.1783 -0.3165932 1.668884 
1 1 1    2    1   54 o   48.980   0.9816  322.902   12.914  330.900   17.229  312.647   19.509   49.542   1.2948   48.122   1.5094 1.419304 1.988635 
1 1 1    2    1   55 o   33.440   1.1242  150.640   10.097  152.185   14.391  149.142   14.170   33.558   1.5966   33.222   1.5880 0.3360939 2.251860 
1 1 1    2    1   56 o   51.526   1.0978  357.623   15.193  348.822   19.832  370.126   23.639   50.830   1.4526   52.312   1.6824 -1.482040 2.222758 
1 1 1    2    1   57 o   66.835   0.8843  601.084   15.874  588.906   22.212  613.796   22.695   66.088   1.2513   67.470   1.2523 -1.381927 1.770380 
1 1 1    2    1   58 o   40.812   0.9781  224.273   10.722  219.068   15.495  229.055   14.851   40.275   1.4324   41.197   1.3422 -0.9218636 1.962940 
1 1 1    2    1   59 o   29.624   1.2954  118.469   10.307  129.178   14.716  108.157   14.441   30.812   1.7859   28.155   1.9211 2.657082 2.622961 
1 1 1    2    1   60 o   25.553   1.2371   88.182   8.4911   75.856   11.693  101.932   12.350   23.546   1.8642   27.357   1.6890 -3.810858 2.515520 
1 1 1    2    1   61 o   7.9280   2.8517   7.5225   7.7446   2.9218   10.941   12.143   10.964   7.7609   3.2131   9.7193   3.4031 -1.958436 4.680304 
1 1 1    2    1   62 o   17.597   1.6768   42.561   7.8291   45.722   11.062   39.390   11.082   18.059   2.3354   16.671   2.5565 1.387650 3.462608 
1 1 1    2    1   63 o   19.217   1.8129   51.021   9.2468   46.883   13.356   54.831   12.814   18.050   2.8494   19.699   2.4766 -1.649055 3.775330 
1 1 1    2    1   64 o   19.351   1.5098   51.413   7.7853   51.948   10.825   50.841   11.205   19.248   2.1296   18.998   2.2388 0.2497940 3.089917 
1 1 1    2    2    0 o  545.489   7.2593 40016.29  1063.58 41427.37  1537.61 38721.75  1472.75  554.631   10.322  536.227   10.226 18.40338 14.52927 
1 1 1    2    2    1 o  343.414   2.7751 15844.36  255.967 15856.74  379.770 15834.05  346.498  343.466   4.1167  343.245   3.7584 0.2204895 5.574278 
1 1 1    2    2    2 o  192.065   1.6739  4954.74   86.351  4995.18  137.105  4928.15  111.170  192.826   2.6472  191.540   2.1609 1.286545 3.417229 
1 1 1    2    2    3 o  401.942   3.3951 21709.03  366.532 21321.67  572.810 21977.61  476.961  398.169   5.3561  404.342   4.3918 -6.173462 6.926475 
1 1 1    2    2    4 o  208.122   1.8037  5817.93  100.825  6000.42  162.492  5703.68  128.568  211.335   2.8626  206.058   2.3230 5.277740 3.686613 
1 1 1    2    2    5 o  528.728   4.4497 37577.30  631.909 37283.88  993.735 37776.50  818.772  526.297   7.0299  529.964   5.7521 -3.666260 9.083259 
1 1 1    2    2    6 o  347.929   2.6917 16262.29  251.541 16061.89  352.777 16469.56  358.763  345.723   3.7991  350.082   3.8155 -4.358887 5.384313 
1 1 1    2    2    7 o  241.977   1.8979  7864.51  123.348  7851.93  174.283  7877.13  174.598  241.765   2.6839  242.153   2.6845 -0.3877716 3.796015 
1 1 1    2    2    8 f  292.375   2.3763 11482.40  186.611 11524.34  277.649 11447.84  252.024  292.871   3.5296  291.909   3.2144 0.9620667 4.773963 
1 1 1    2    2    9 o  246.490   2.0188  8160.60  133.655  8104.19  180.178  8229.62  199.298  245.623   2.7311  247.510   2.9979 -1.887039 4.055423 
1 1 1    2    2   10 o  209.596   1.8183  5900.25  102.364  5818.26  131.044  6028.58  163.951  208.128   2.3442  211.847   2.8814 -3.719360 3.714509 
1 1 1    2    2   11 o  374.248   3.1671 18814.77  318.357 18873.46  411.853 18727.63  501.807  374.797   4.0912  373.304   5.0047 1.492889 6.464181 
1 1 1    2    2   12 o  138.439   1.7805  2574.03   66.205  2465.77  102.096  2652.59   86.968  135.489   2.8055  140.532   2.3040 -5.043396 3.630361 
1 1 1    2    2   13 o  671.136   5.6374 60532.38  1016.21 61801.39  1629.33 59724.45  1300.06  677.772   8.9502  666.487   7.2624 11.28485 11.52599 
1 1 1    2    2   14 o  464.635   3.5756 29000.41  446.219 29365.61  636.324 28647.08  625.903  467.488   5.0678  461.734   5.0469 5.753754 7.152146 
1 1 1    2    2   15 o  392.452   3.0303 20688.04  319.424 20644.07  450.877 20732.35  452.596  391.997   4.2824  392.834   4.2895 -0.8370056 6.061236 
1 1 1    2    2   16 f  989.487   8.3019 131681.00  2206.37 131241.00  3480.26 131976.70  2852.96  986.740   13.132  990.109   10.728 -3.368286 16.95671 
1 1 1    2    2   17 o  204.094   3.2493  5595.33  178.120  6029.00  323.085  5405.97  213.497  211.803   5.6793  200.599   3.9625 11.20441 6.924994 
1 1 1    2    2   18 o  169.042   1.4329  3837.75   65.060  3760.57   80.589  3982.17  110.243  167.332   1.7931  172.186   2.3838 -4.854202 2.982880 
1 1 1    2    2   19 o  171.298   2.1562  3941.18   99.207  3847.67  126.124  4092.92  160.662  169.246   2.7745  174.546   3.4270 -5.300018 4.409317 
1 1 1    2    2   20 o  334.348   3.3977 15019.09  305.120 14904.41  401.953 15175.04  468.710  333.016   4.4938  335.984   5.1939 -2.967926 6.868127 
1 1 1    2    2   21 o  202.216   1.7689  5492.31   96.077  5492.79  124.062  5491.58  151.861  202.215   2.2842  202.181   2.7965 0.3445435E-01 3.610818 
1 1 1    2    2   22 o  135.654   1.9749  2471.84   71.956  2553.65  103.674  2395.80   99.951  137.865   2.7998  133.536   2.7867 4.328583 3.950279 
1 1 1    2    2   23 o  214.685   1.8693  6191.11  107.787  6202.19  152.767  6180.13  152.104  214.851   2.6473  214.469   2.6405 0.3822632 3.739031 
1 1 1    2    2   24 o  110.830   1.3759  1649.84   40.957  1620.27   57.296  1680.74   58.569  109.824   1.9424  111.855   1.9495 -2.030701 2.751973 
1 1 1    2    2   25 o   28.102   0.7305  106.065   5.5137  109.991   7.8547  102.252   7.7415   28.617   1.0219   27.592   1.0446 1.025167 1.461338 
1 1 1    2    2   26 o   86.937   0.9137  1015.09   21.336  1026.91   30.340  1003.53   30.010   87.438   1.2919   86.437   1.2926 1.001030 1.827505 
1 1 1    2    2   27 o  203.079   1.8771  5540.31  102.388  5589.18  138.192  5480.82  152.454  203.945   2.5228  201.944   2.8107 2.001129 3.776829 
1 1 1    2    2   28 o  233.981   2.2679  7356.06  142.527  7222.69  199.266  7495.76  203.943  231.791   3.2007  236.131   3.2156 -4.339890 4.537032 
1 1 1    2    2   29 o  150.313   1.3710  3034.90   55.351  3002.42   77.787  3068.21   78.779  149.492   1.9373  151.120   1.9409 -1.628830 2.742264 
1 1 1    2    2   30 o  251.344   2.0693  8488.27  139.699  8545.57  189.951  8420.77  206.172  252.137   2.8049  250.266   3.0672 1.870712 4.156288 
1 1 1    2    2   31 o  108.088   0.9753  1569.17   28.314  1569.75   40.036  1568.59   40.049  108.101   1.3789  108.061   1.3798 0.3993225E-01 1.950702 
1 1 1    2    2   32 o   55.932   1.0863  420.199   16.319  377.686   24.959  451.942   21.567   53.019   1.7527   58.002   1.3844 -4.983334 2.233483 
1 1 1    2    2   33 o  163.920   1.6573  3610.23   72.969  3609.27  103.167  3611.20  103.220  163.858   2.3441  163.902   2.3447 -0.4371643E-01 3.315499 
1 1 1    2    2   34 o   44.363   0.9545  264.350   11.373  257.568   15.290  272.750   17.015   43.786   1.3001   45.057   1.4060 -1.270622 1.914975 
1 1 1    2    2   35 o  166.353   1.3695  3718.12   61.190  3729.21   86.714  3707.12   86.358  166.563   1.9383  166.069   1.9361 0.4936981 2.739589 
1 1 1    2    2   36 o   51.683   0.7314  358.780   10.153  372.238   14.493  345.812   14.226   52.640   1.0251   50.736   1.0440 1.903214 1.463103 
1 1 1    2    2   37 o   46.003   0.7629  284.260   9.4257  277.261   12.862  292.378   13.853   45.429   1.0541   46.650   1.1056 -1.221157 1.527593 
1 1 1    2    2   38 o  123.571   1.1839  2051.85   39.294  2043.77   55.489  2059.98   55.652  123.293   1.6756  123.781   1.6739 -0.4882050 2.368493 
1 1 1    2    2   39 o   21.568   0.9791   62.497   5.6718   50.521   8.0125   74.525   8.0298   19.322   1.5571   23.513   1.2762 -4.191092 2.013289 
1 1 1    2    2   40 o  124.910   1.1999  2096.91   40.256  2072.76   56.625  2121.59   57.241  124.142   1.6982  125.595   1.6968 -1.453819 2.400695 
1 1 1    2    2   41 o   39.131   0.7973  205.715   8.3803  199.163   11.360  213.538   12.413   38.497   1.0987   39.860   1.1594 -1.363472 1.597286 
1 1 1    2    2   42 o   53.221   0.7557  380.534   10.802  378.244   15.287  382.819   15.266   53.051   1.0728   53.371   1.0650 -0.3201485 1.511643 
1 1 1    2    2   43 o   80.837   0.9331  878.124   20.260  864.195   28.509  892.336   28.797   80.168   1.3240   81.463   1.3161 -1.295441 1.866866 
1 1 1    2    2   44 f   95.890   1.0082  1235.89   25.967  1218.87   36.445  1253.44   37.006   95.187   1.4255   96.527   1.4273 -1.340118 2.017267 
1 1 1    2    2   45 o   49.418   0.7721  328.160   10.249  333.057   14.519  323.297   14.468   49.771   1.0861   49.036   1.0985 0.7353439 1.544796 
1 1 1    2    2   46 o   26.531   1.1580   94.672   8.2517   86.410   11.650  102.992   11.690   25.265   1.7271   27.609   1.5830 -2.344013 2.342820 
1 1 1    2    2   47 o   36.138   0.8464  175.541   8.2157  176.972   11.675  174.138   11.563   36.268   1.1985   35.977   1.1966 0.2914696 1.693646 
1 1 1    2    2   48 o   28.665   0.9433  110.482   7.2624  112.503   10.270  108.461   10.271   28.908   1.3227   28.383   1.3473 0.5253677 1.888073 
1 1 1    2    2   49 o   25.052   1.0929   84.437   7.3541   91.847   10.457   77.185   10.345   26.065   1.4999   23.872   1.6230 2.193041 2.209968 
1 1 1    2    2   50 o   21.819   1.1620   64.256   6.7853   61.446   9.7199   66.927   9.4765   21.272   1.7158   22.222   1.5984 -0.9497967 2.344999 
1 1 1    2    2   51 o   27.874   1.1477  104.581   8.5923  105.707   12.051  103.417   12.254   27.946   1.6124   27.634   1.6586 0.3115253 2.313191 
1 1 1    2    2   52 o   38.550   0.8807  199.877   9.1185  191.643   12.897  208.105   12.894   37.716   1.2731   39.308   1.2213 -1.591476 1.764184 
1 1 1    2    2   53 o   19.591   1.5463   52.130   8.0707   35.072   11.099   71.273   11.757   15.822   2.7090   22.865   1.9325 -7.042515 3.327648 
1 1 1    2    2   54 o   10.988   2.3080   17.019   6.5949   27.017   9.4407   7.4907   9.2166   13.851   2.6340   8.3363   3.0928 5.514356 4.062432 
1 1 1    2    2   55 o   34.974   1.0241  164.690   9.6204  155.340   13.449  174.489   13.767   33.919   1.4762   35.955   1.4256 -2.036373 2.052200 
1 1 1    2    2   56 o   81.627   1.1194  897.631   24.541  921.438   34.990  874.580   34.430   82.574   1.5776   80.442   1.5935 2.132050 2.242393 
1 1 1    2    2   57 o   35.375   1.0015  168.496   9.5159  157.667   13.249  180.035   13.676   34.172   1.4435   36.522   1.3942 -2.350208 2.006857 
1 1 1    2    2   58 f   31.404   1.1988  132.971   10.111  120.806   14.944  143.244   13.733   29.789   1.8773   32.548   1.5709 -2.758442 2.447843 
1 1 1    2    2   59 o   22.841   1.5469   70.907   9.4338   60.386   13.235   81.772   13.450   20.886   2.4031   24.427   2.0695 -3.541677 3.171415 
1 1 1    2    2   60 o   51.254   0.9148  353.898   12.594  358.002   17.781  349.766   17.839   51.472   1.2861   50.872   1.3056 0.6002655 1.832680 
1 1 1    2    2   61 o   39.997   1.4850  216.974   15.953  201.046   22.542  232.956   22.581   38.217   2.2055   41.266   2.0373 -3.049515 3.002467 
1 1 1    2    2   62 o   13.935   2.0979   27.238   7.6084   20.009   10.671   34.714   10.851   11.694   3.2698   15.582   2.6901 -3.887552 4.234135 
1 1 1    2    2   63 o   33.763   1.1056  154.268   10.026  158.051   14.177  150.485   14.180   34.049   1.5502   33.211   1.5897 0.8377228 2.220403 
1 1 1    2    2   64 o   9.2105   2.8438   12.166   7.7417   13.666   11.515   10.928   10.458   9.9890   3.4880   9.1951   3.3132 0.7938967 4.810807 
1 1 1    3    0  -64 o   16.371   3.0381   42.160   12.007   42.160   12.007   42.160   12.007   16.371   3.0381   16.371   3.0381 0.000000 0.000000 
1 1 1    3    0  -63 o   28.386   1.6103  111.514   12.187  111.514   12.187  111.514   12.187   28.386   1.6103   28.386   1.6103 0.000000 0.000000 
1 1 1    3    0  -62 o   23.520   2.1446   78.341   13.289   78.341   13.289   78.341   13.289   23.520   2.1446   23.520   2.1446 0.000000 0.000000 
1 1 1    3    0  -61 o   41.884   1.3883  238.846   15.579  238.846   15.579  238.846   15.579   41.884   1.3883   41.884   1.3883 0.000000 0.000000 
1 1 1    3    0  -60 o   7.8494   4.5440   12.085   15.587   12.085   15.587   12.085   15.587   7.8494   4.5440   7.8494   4.5440 -0.000000 0.000000 
1 1 1    3    0  -59 f   12.321   3.8075   26.277   11.028   26.277   11.028   26.277   11.028   12.321   3.8075   12.321   3.8075 -0.000000 0.000000 
1 1 1    3    0  -58 o   27.953   1.6413  106.889   12.226  106.889   12.226  106.889   12.226   27.953   1.6413   27.953   1.6413 -0.000000 0.000000 
1 1 1    3    0  -57 o   6.5284   3.6351   8.2211   9.4570   8.2211   9.4570   8.2211   9.4570   6.5284   3.6351   6.5284   3.6351 -0.000000 0.000000 
1 1 1    3    0  -56 o   26.807   1.8790   98.822   13.376   98.822   13.376   98.822   13.376   26.807   1.8790   26.807   1.8790 -0.000000 0.000000 
1 1 1    3    0  -55 o   8.2825   4.0209   14.070   10.473   14.070   10.473   14.070   10.473   8.2825   4.0209   8.2825   4.0209 0.000000 0.000000 
1 1 1    3    0  -54 o   40.091   1.2933  217.383   13.894  217.383   13.894  217.383   13.894   40.091   1.2933   40.091   1.2933 0.000000 0.000000 
1 1 1    3    0  -53 o   3.5884   2.4963  -7.5911   8.5563  -7.5911   8.5563  -7.5911   8.5563   3.5884   2.4963   3.5884   2.4963 -0.000000 0.000000 
1 1 1    3    0  -52 o   62.586   1.5012  529.138   25.202  529.138   25.202  529.138   25.202   62.586   1.5012   62.586   1.5012 0.000000 0.000000 
1 1 1    3    0  -51 o   9.9780   3.5891   17.941   8.8048   17.941   8.8048   17.941   8.8048   9.9780   3.5891   9.9780   3.5891 0.000000 0.000000 
1 1 1    3    0  -50 o   15.885   2.2421   36.080   9.0176   36.080   9.0176   36.080   9.0176   15.885   2.2421   15.885   2.2421 0.000000 0.000000 
1 1 1    3    0  -49 o   9.3738   3.4622   15.960   8.0786   15.960   8.0786   15.960   8.0786   9.3738   3.4622   9.3738   3.4622 0.000000 0.000000 
1 1 1    3    0  -48 o   5.4181   3.1754   4.7008   7.7609   4.7008   7.7609   4.7008   7.7609   5.4181   3.1754   5.4181   3.1754 -0.000000 0.000000 
1 1 1    3    0  -47 o   45.039   1.1259  273.302   13.601  273.302   13.601  273.302   13.601   45.039   1.1259   45.039   1.1259 -0.000000 0.000000 
1 1 1    3    0  -46 o   32.483   1.3781  142.719   11.974  142.719   11.974  142.719   11.974   32.483   1.3781   32.483   1.3781 -0.000000 0.000000 
1 1 1    3    0  -45 o  104.814   1.6777  1479.78   47.203  1479.78   47.203  1479.78   47.203  104.814   1.6777  104.814   1.6777 -0.000000 0.000000 
1 1 1    3    0  -44 o   84.844   1.2290  968.294   27.993  968.294   27.993  968.294   27.993   84.844   1.2290   84.844   1.2290 -0.000000 0.000000 
1 1 1    3    0  -43 o  119.494   1.5053  1920.92   48.297  1920.92   48.297  1920.92   48.297  119.494   1.5053  119.494   1.5053 0.000000 0.000000 
1 1 1    3    0  -42 o   51.297   1.3607  354.444   18.717  354.444   18.717  354.444   18.717   51.297   1.3607   51.297   1.3607 0.000000 0.000000 
1 1 1    3    0  -41 o   37.557   1.4254  190.411   14.332  190.411   14.332  190.411   14.332   37.557   1.4254   37.557   1.4254 -0.000000 0.000000 
1 1 1    3    0  -40 o   80.187   1.3055  864.768   28.102  864.768   28.102  864.768   28.102   80.187   1.3055   80.187   1.3055 0.000000 0.000000 
1 1 1    3    0  -39 o   17.846   1.6078   43.840   7.5630   43.840   7.5630   43.840   7.5630   17.846   1.6078   17.846   1.6078 0.000000 0.000000 
1 1 1    3    0  -38 o   42.670   1.3015  245.312   14.884  245.312   14.884  245.312   14.884   42.670   1.3015   42.670   1.3015 -0.000000 0.000000 
1 1 1    3    0  -37 o   24.235   1.2814   79.568   8.2877   79.568   8.2877   79.568   8.2877   24.235   1.2814   24.235   1.2814 0.000000 0.000000 
1 1 1    3    0  -36 o   55.211   1.3363  410.225   19.790  410.225   19.790  410.225   19.790   55.211   1.3363   55.211   1.3363 -0.000000 0.000000 
1 1 1    3    0  -35 o  122.082   1.6596  2003.54   54.396  2003.54   54.396  2003.54   54.396  122.082   1.6596  122.082   1.6596 0.000000 0.000000 
1 1 1    3    0  -34 o   31.210   1.2841  131.508   10.723  131.508   10.723  131.508   10.723   31.210   1.2841   31.210   1.2841 -0.000000 0.000000 
1 1 1    3    0  -33 o  260.486   4.1098  9136.45  287.379  9136.45  287.379  9136.45  287.379  260.486   4.1098  260.486   4.1098 0.000000 0.000000 
1 1 1    3    0  -32 o  125.671   1.6925  2122.68   57.104  2122.68   57.104  2122.68   57.104  125.671   1.6925  125.671   1.6925 -0.000000 0.000000 
1 1 1    3    0  -31 o   83.711   1.4318  942.062   32.171  942.062   32.171  942.062   32.171   83.711   1.4318   83.711   1.4318 -0.000000 0.000000 
1 1 1    3    0  -30 o   89.558   1.7580  1078.61   42.252  1078.61   42.252  1078.61   42.252   89.558   1.7580   89.558   1.7580 0.000000 0.000000 
1 1 1    3    0  -29 o   53.509   1.3688  385.311   19.643  385.311   19.643  385.311   19.643   53.509   1.3688   53.509   1.3688 -0.000000 0.000000 
1 1 1    3    0  -28 o  131.636   2.2605  2329.84   79.869  2329.84   79.869  2329.84   79.869  131.636   2.2605  131.636   2.2605 -0.000000 0.000000 
1 1 1    3    0  -27 o  202.441   2.8116  5509.33  152.813  5509.33  152.813  5509.33  152.813  202.441   2.8116  202.441   2.8116 -0.000000 0.000000 
1 1 1    3    0  -26 o  201.901   2.5060  5478.78  135.848  5478.78  135.848  5478.78  135.848  201.901   2.5060  201.901   2.5060 -0.000000 0.000000 
1 1 1    3    0  -25 o  257.910   2.8668  8939.98  198.532  8939.98  198.532  8939.98  198.532  257.910   2.8668  257.910   2.8668 0.000000 0.000000 
1 1 1    3    0  -24 f   37.484   1.5483  189.680   15.528  189.680   15.528  189.680   15.528   37.484   1.5483   37.484   1.5483 0.000000 0.000000 
1 1 1    3    0  -23 o  325.663   3.5821 14255.04  313.246 14255.04  313.246 14255.04  313.246  325.663   3.5821  325.663   3.5821 -0.000000 0.000000 
1 1 1    3    0  -22 o  346.685   4.6635 16160.61  434.069 16160.61  434.069 16160.61  434.069  346.685   4.6635  346.685   4.6635 -0.000000 0.000000 
1 1 1    3    0  -21 o  880.846   9.5605 104468.10  2261.29 104468.10  2261.29 104468.10  2261.29  880.846   9.5605  880.846   9.5605 -0.000000 0.000000 
1 1 1    3    0  -20 o  276.886   3.7529 10304.38  278.985 10304.38  278.985 10304.38  278.985  276.886   3.7529  276.886   3.7529 0.000000 0.000000 
1 1 1    3    0  -19 o   34.376   1.5542  159.678   14.283  159.678   14.283  159.678   14.283   34.376   1.5542   34.376   1.5542 0.000000 0.000000 
1 1 1    3    0  -18 o  103.044   1.8474  1427.41   51.093  1427.41   51.093  1427.41   51.093  103.044   1.8474  103.044   1.8474 0.000000 0.000000 
1 1 1    3    0  -17 o  596.212   7.0936 47786.84  1135.59 47786.84  1135.59 47786.84  1135.59  596.212   7.0936  596.212   7.0936 -0.000000 0.000000 
1 1 1    3    0  -16 o  169.721   2.7510  3871.77  125.333  3871.77  125.333  3871.77  125.333  169.721   2.7510  169.721   2.7510 0.000000 0.000000 
1 1 1    3    0  -15 o  171.263   2.7759  3942.47  127.614  3942.47  127.614  3942.47  127.614  171.263   2.7759  171.263   2.7759 0.000000 0.000000 
1 1 1    3    0  -14 o  409.818   4.4725 22568.17  492.171 22568.17  492.171 22568.17  492.171  409.818   4.4725  409.818   4.4725 0.000000 0.000000 
1 1 1    3    0  -13 o  227.339   2.5371  6943.95  154.878  6943.95  154.878  6943.95  154.878  227.339   2.5371  227.339   2.5371 0.000000 0.000000 
1 1 1    3    0  -12 o   59.224   1.5931  472.070   25.299  472.070   25.299  472.070   25.299   59.224   1.5931   59.224   1.5931 0.000000 0.000000 
1 1 1    3    0  -11 o  373.627   5.0056 18764.17  502.124 18764.17  502.124 18764.17  502.124  373.627   5.0056  373.627   5.0056 -0.000000 0.000000 
1 1 1    3    0  -10 o  323.163   3.8873 14034.57  337.307 14034.57  337.307 14034.57  337.307  323.163   3.8873  323.163   3.8873 -0.000000 0.000000 
1 1 1    3    0   -9 o  138.466   1.9883  2576.61   73.913  2576.61   73.913  2576.61   73.913  138.466   1.9883  138.466   1.9883 -0.000000 0.000000 
1 1 1    3    0   -8 o  139.847   2.0049  2628.26   75.272  2628.26   75.272  2628.26   75.272  139.847   2.0049  139.847   2.0049 -0.000000 0.000000 
1 1 1    3    0   -7 o  465.105   5.5476 29082.73  692.806 29082.73  692.806 29082.73  692.806  465.105   5.5476  465.105   5.5476 0.000000 0.000000 
1 1 1    3    0   -6 o  570.278   6.7878 43739.48  1039.36 43739.48  1039.36 43739.48  1039.36  570.278   6.7878  570.278   6.7878 0.000000 0.000000 
1 1 1    3    0   -5 o  186.540   2.1060  4675.43  105.488  4675.43  105.488  4675.43  105.488  186.540   2.1060  186.540   2.1060 -0.000000 0.000000 
1 1 1    3    0   -4 o  266.206   3.6027  9525.30  257.493  9525.30  257.493  9525.30  257.493  266.206   3.6027  266.206   3.6027 0.000000 0.000000 
1 1 1    3    0   -3 o  409.385   5.4714 22537.05  601.384 22537.05  601.384 22537.05  601.384  409.385   5.4714  409.385   5.4714 0.000000 0.000000 
1 1 1    3    0   -2 o  249.351   3.3835  8357.11  226.509  8357.11  226.509  8357.11  226.509  249.351   3.3835  249.351   3.3835 -0.000000 0.000000 
1 1 1    3    0   -1 f  757.338   14.296 77526.71  2905.69 77526.71  2905.69 77526.71  2905.69  757.338   14.296  757.338   14.296 0.000000 0.000000 
1 1 1    3    0    0 f   57.879   1.5226  450.843   23.633  450.843   23.633  450.843   23.633   57.879   1.5226   57.879   1.5226 -0.000000 0.000000 
1 1 1    3    0    1 f  216.980   2.4207  6326.02  141.035  6326.02  141.035  6326.02  141.035  216.980   2.4207  216.980   2.4207 -0.000000 0.000000 
1 1 1    3    0    2 o  266.407   2.9404  9537.00  210.344  9537.00  210.344  9537.00  210.344  266.407   2.9404  266.407   2.9404 0.000000 0.000000 
1 1 1    3    0    3 o  550.121   5.9762 40694.42  882.792 40694.42  882.792 40694.42  882.792  550.121   5.9762  550.121   5.9762 -0.000000 0.000000 
1 1 1    3    0    4 o  342.015   3.7444 15720.28  343.878 15720.28  343.878 15720.28  343.878  342.015   3.7444  342.015   3.7444 -0.000000 0.000000 
1 1 1    3    0    5 o  364.548   3.9854 17860.54  390.123 17860.54  390.123 17860.54  390.123  364.548   3.9854  364.548   3.9854 -0.000000 0.000000 
1 1 1    3    0    6 o  635.404   7.5592 54313.57  1289.67 54313.57  1289.67 54313.57  1289.67  635.404   7.5592  635.404   7.5592 -0.000000 0.000000 
1 1 1    3    0    7 o   93.784   1.1903  1181.80   29.972  1181.80   29.972  1181.80   29.972   93.784   1.1903   93.784   1.1903 0.000000 0.000000 
1 1 1    3    0    8 o  605.721   6.5780 49332.05  1069.91 49332.05  1069.91 49332.05  1069.91  605.721   6.5780  605.721   6.5780 -0.000000 0.000000 
1 1 1    3    0    9 o  167.962   1.9190  3790.39   86.549  3790.39   86.549  3790.39   86.549  167.962   1.9190  167.962   1.9190 0.000000 0.000000 
1 1 1    3    0   10 o  102.167   1.2731  1402.48   34.924  1402.48   34.924  1402.48   34.924  102.167   1.2731  102.167   1.2731 0.000000 0.000000 
1 1 1    3    0   11 o   49.342   1.0444  327.402   13.827  327.402   13.827  327.402   13.827   49.342   1.0444   49.342   1.0444 0.000000 0.000000 
1 1 1    3    0   12 o  201.596   2.4841  5460.82  134.460  5460.82  134.460  5460.82  134.460  201.596   2.4841  201.596   2.4841 -0.000000 0.000000 
1 1 1    3    0   13 o  306.741   3.3732 12642.17  277.837 12642.17  277.837 12642.17  277.837  306.741   3.3732  306.741   3.3732 -0.000000 0.000000 
1 1 1    3    0   14 o  187.760   2.6077  4737.55  131.451  4737.55  131.451  4737.55  131.451  187.760   2.6077  187.760   2.6077 0.000000 0.000000 
1 1 1    3    0   15 o   29.402   1.2728  116.748   10.009  116.748   10.009  116.748   10.009   29.402   1.2728   29.402   1.2728 0.000000 0.000000 
1 1 1    3    0   16 o  714.242   8.4880 68594.27  1627.82 68594.27  1627.82 68594.27  1627.82  714.242   8.4880  714.242   8.4880 0.000000 0.000000 
1 1 1    3    0   17 o   47.339   1.5383  301.917   19.513  301.917   19.513  301.917   19.513   47.339   1.5383   47.339   1.5383 0.000000 0.000000 
1 1 1    3    0   18 o  259.327   3.5246  9037.95  245.396  9037.95  245.396  9037.95  245.396  259.327   3.5246  259.327   3.5246 -0.000000 0.000000 
1 1 1    3    0   19 o  557.607   6.0642 41794.77  907.984 41794.77  907.984 41794.77  907.984  557.607   6.0642  557.607   6.0642 -0.000000 0.000000 
1 1 1    3    0   20 o  382.827   5.9269 19709.51  609.096 19709.51  609.096 19709.51  609.096  382.827   5.9269  382.827   5.9269 -0.000000 0.000000 
1 1 1    3    0   21 o  353.849   6.7368 16851.99  639.750 16851.99  639.750 16851.99  639.750  353.849   6.7368  353.849   6.7368 0.000000 0.000000 
1 1 1    3    0   22 o  231.385   2.5877  7194.25  160.773  7194.25  160.773  7194.25  160.773  231.385   2.5877  231.385   2.5877 0.000000 0.000000 
1 1 1    3    0   23 o   35.710   1.4187  172.078   13.558  172.078   13.558  172.078   13.558   35.710   1.4187   35.710   1.4187 0.000000 0.000000 
1 1 1    3    0   24 f   68.953   1.8661  640.019   34.503  640.019   34.503  640.019   34.503   68.953   1.8661   68.953   1.8661 0.000000 0.000000 
1 1 1    3    0   25 o  283.911   4.4506 10843.57  339.198 10843.57  339.198 10843.57  339.198  283.911   4.4506  283.911   4.4506 -0.000000 0.000000 
1 1 1    3    0   26 o  243.353   2.9774  7960.39  194.547  7960.39  194.547  7960.39  194.547  243.353   2.9774  243.353   2.9774 -0.000000 0.000000 
1 1 1    3    0   27 o  270.862   3.2941  9863.10  239.573  9863.10  239.573  9863.10  239.573  270.862   3.2941  270.862   3.2941 -0.000000 0.000000 
1 1 1    3    0   28 o  294.241   3.2523 11638.60  256.959 11638.60  256.959 11638.60  256.959  294.241   3.2523  294.241   3.2523 -0.000000 0.000000 
1 1 1    3    0   29 o   36.692   1.2291  181.426   12.082  181.426   12.082  181.426   12.082   36.692   1.2291   36.692   1.2291 0.000000 0.000000 
1 1 1    3    0   30 o   83.419   1.2934  935.307   28.965  935.307   28.965  935.307   28.965   83.419   1.2934   83.419   1.2934 0.000000 0.000000 
1 1 1    3    0   31 o  255.576   3.4950  8785.86  239.814  8785.86  239.814  8785.86  239.814  255.576   3.4950  255.576   3.4950 -0.000000 0.000000 
1 1 1    3    0   32 o  184.130   2.5833  4558.75  127.705  4558.75  127.705  4558.75  127.705  184.130   2.5833  184.130   2.5833 -0.000000 0.000000 
1 1 1    3    0   33 o  166.714   2.3825  3737.24  106.633  3737.24  106.633  3737.24  106.633  166.714   2.3825  166.714   2.3825 -0.000000 0.000000 
1 1 1    3    0   34 o   52.716   1.1116  373.759   15.723  373.759   15.723  373.759   15.723   52.716   1.1116   52.716   1.1116 0.000000 0.000000 
1 1 1    3    0   35 o   57.470   1.2596  444.306   19.422  444.306   19.422  444.306   19.422   57.470   1.2596   57.470   1.2596 0.000000 0.000000 
1 1 1    3    0   36 o   18.353   1.8464   46.623   8.8906   46.623   8.8906   46.623   8.8906   18.353   1.8464   18.353   1.8464 0.000000 0.000000 
1 1 1    3    0   37 o   23.629   1.3026   75.692   8.2097   75.692   8.2097   75.692   8.2097   23.629   1.3026   23.629   1.3026 -0.000000 0.000000 
1 1 1    3    0   38 o   36.428   1.0900  178.744   10.643  178.744   10.643  178.744   10.643   36.428   1.0900   36.428   1.0900 -0.000000 0.000000 
1 1 1    3    0   39 o   30.305   1.1829  123.959   9.5955  123.959   9.5955  123.959   9.5955   30.305   1.1829   30.305   1.1829 0.000000 0.000000 
1 1 1    3    0   40 o   29.124   1.3496  114.717   10.506  114.717   10.506  114.717   10.506   29.124   1.3496   29.124   1.3496 -0.000000 0.000000 
1 1 1    3    0   41 o   47.651   1.1803  305.678   15.085  305.678   15.085  305.678   15.085   47.651   1.1803   47.651   1.1803 0.000000 0.000000 
1 1 1    3    0   42 o   23.330   1.3891   73.936   8.6336   73.936   8.6336   73.936   8.6336   23.330   1.3891   23.330   1.3891 -0.000000 0.000000 
1 1 1    3    0   43 o   5.5544   3.1160   5.5788   7.0117   5.5788   7.0117   5.5788   7.0117   5.5544   3.1160   5.5544   3.1160 -0.000000 0.000000 
1 1 1    3    0   44 o   43.687   1.6518  257.872   19.319  257.872   19.319  257.872   19.319   43.687   1.6518   43.687   1.6518 -0.000000 0.000000 
1 1 1    3    0   45 o   37.819   1.1469  192.810   11.626  192.810   11.626  192.810   11.626   37.819   1.1469   37.819   1.1469 0.000000 0.000000 
1 1 1    3    0   46 o  112.585   1.4534  1706.47   43.933  1706.47   43.933  1706.47   43.933  112.585   1.4534  112.585   1.4534 0.000000 0.000000 
1 1 1    3    0   47 o   27.545   1.3563  102.830   9.9786  102.830   9.9786  102.830   9.9786   27.545   1.3563   27.545   1.3563 -0.000000 0.000000 
1 1 1    3    0   48 o   20.918   1.8624   60.386   10.273   60.386   10.273   60.386   10.273   20.918   1.8624   20.918   1.8624 0.000000 0.000000 
1 1 1    3    0   49 o   37.695   1.1824  191.734   11.944  191.734   11.944  191.734   11.944   37.695   1.1824   37.695   1.1824 -0.000000 0.000000 
1 1 1    3    0   50 o   20.614   1.6991   58.457   9.2605   58.457   9.2605   58.457   9.2605   20.614   1.6991   20.614   1.6991 0.000000 0.000000 
1 1 1    3    0   51 o   28.747   1.6149  112.496   12.379  112.496   12.379  112.496   12.379   28.747   1.6149   28.747   1.6149 -0.000000 0.000000 
1 1 1    3    0   52 o   59.701   1.1687  480.418   18.725  480.418   18.725  480.418   18.725   59.701   1.1687   59.701   1.1687 0.000000 0.000000 
1 1 1    3    0   53 o   21.544   1.7474   63.947   9.9582   63.947   9.9582   63.947   9.9582   21.544   1.7474   21.544   1.7474 0.000000 0.000000 
1 1 1    3    0   54 o   4.4882   2.9647  -1.8078   9.2588  -1.8078   9.2588  -1.8078   9.2588   4.4882   2.9647   4.4882   2.9647 -0.000000 0.000000 
1 1 1    3    0   55 o   8.6806   4.2284   15.524   11.599   15.524   11.599   15.524   11.599   8.6806   4.2284   8.6806   4.2284 -0.000000 0.000000 
1 1 1    3    0   56 o   58.693   1.2520  465.214   19.717  465.214   19.717  465.214   19.717   58.693   1.2520   58.693   1.2520 -0.000000 0.000000 
1 1 1    3    0   57 o  116.317   1.8686  1836.37   58.344  1836.37   58.344  1836.37   58.344  116.317   1.8686  116.317   1.8686 0.000000 0.000000 
1 1 1    3    0   58 o   42.432   1.3196  243.812   15.007  243.812   15.007  243.812   15.007   42.432   1.3196   42.432   1.3196 0.000000 0.000000 
1 1 1    3    0   59 f   24.136   2.1335   81.304   13.582   81.304   13.582   81.304   13.582   24.136   2.1335   24.136   2.1335 -0.000000 0.000000 
1 1 1    3    0   60 o   7.6419   3.9398   12.331   10.357   12.331   10.357   12.331   10.357   7.6419   3.9398   7.6419   3.9398 0.000000 0.000000 
1 1 1    3    0   61 o   10.090   4.4755   21.374   12.805   21.374   12.805   21.374   12.805   10.090   4.4755   10.090   4.4755 0.000000 0.000000 
1 1 1    3    0   62 o   32.303   1.7612  144.270   15.177  144.270   15.177  144.270   15.177   32.303   1.7612   32.303   1.7612 0.000000 0.000000 
1 1 1    3    0   63 o   9.5081   4.1027   19.094   10.775   19.094   10.775   19.094   10.775   9.5081   4.1027   9.5081   4.1027 -0.000000 0.000000 
1 1 1    3    0   64 o   28.467   1.9209  114.205   14.533  114.205   14.533  114.205   14.533   28.467   1.9209   28.467   1.9209 -0.000000 0.000000 
1 1 1    3    1  -64 o   29.351   1.2153  116.963   9.5809  134.644   13.734  100.202   13.372   31.313   1.6387   26.912   1.8614 4.400667 2.479942 
1 1 1    3    1  -63 o   18.224   1.5970   45.649   7.7380   40.398   11.054   50.694   10.835   16.846   2.5205   19.040   2.1569 -2.193552 3.317387 
1 1 1    3    1  -62 o   33.227   1.1058  149.239   9.8682  142.514   13.857  156.158   14.056   32.356   1.5945   33.884   1.5445 -1.527649 2.219924 
1 1 1    3    1  -61 o   9.3757   2.9203   12.254   8.1437  -2.4637   11.237   28.537   11.819   6.9731   3.0748   13.995   3.2122 -7.022102 4.446674 
1 1 1    3    1  -60 o   25.639   1.4585   89.265   10.002   72.635   13.884  107.210   14.422   22.926   2.2852   27.996   1.9298 -5.069815 2.991042 
1 1 1    3    1  -59 o   12.567   3.2018   22.718   10.838   24.600   16.743   21.361   14.218   13.210   4.1974   12.330   3.8617 0.8806419 5.703618 
1 1 1    3    1  -58 o   27.716   1.1498  103.545   8.5595  113.237   12.241   94.274   11.973   28.894   1.5834   26.335   1.7018 2.559092 2.324469 
1 1 1    3    1  -57 o   43.301   0.9181  252.355   10.678  241.377   14.980  263.695   15.225   42.300   1.3185   44.218   1.2819 -1.917755 1.838987 
1 1 1    3    1  -56 o   27.379   1.1278  100.990   8.2933  100.828   11.639  101.157   11.820   27.267   1.5962   27.308   1.6188 -0.4086685E-01 2.273360 
1 1 1    3    1  -55 o   44.995   0.9332  272.478   11.278  263.980   15.888  281.108   16.011   44.238   1.3372   45.655   1.3057 -1.417252 1.868923 
1 1 1    3    1  -54 o   64.544   1.0573  560.948   18.329  558.328   25.950  563.556   25.892   64.307   1.5024   64.610   1.4920 -0.3027649 2.117370 
1 1 1    3    1  -53 o   34.476   0.9384  159.926   8.6892  158.225   12.373  161.581   12.205   34.257   1.3447   34.622   1.3125 -0.3645821 1.879105 
1 1 1    3    1  -52 o   11.203   2.4693   17.709   7.2297   3.0075   10.250   32.267   10.199   7.6652   3.1348   15.197   2.5917 -7.531847 4.067409 
1 1 1    3    1  -51 o   14.306   1.8865   28.129   7.0723   20.356   10.020   35.845   9.9835   11.987   3.0919   16.089   2.3823 -4.101297 3.903240 
1 1 1    3    1  -50 o   27.948   1.0378  105.080   7.7904  105.924   10.902  104.199   11.136   27.999   1.4547   27.765   1.4988 0.2346497 2.088716 
1 1 1    3    1  -49 o   20.520   1.1584   56.842   6.3584   55.680   9.0178   57.990   8.9668   20.251   1.6729   20.676   1.6278 -0.4243755 2.334160 
1 1 1    3    1  -48 o   6.4395   2.3803   4.3789   5.4493   3.4042   7.6530   5.3813   7.7610   6.9215   2.7514   7.4476   2.8223 -0.5260496 3.941577 
1 1 1    3    1  -47 o   57.988   0.8353  451.991   13.010  451.839   19.458  452.114   17.495   57.946   1.2502   57.975   1.1235 -0.2877426E-01 1.680867 
1 1 1    3    1  -46 o   65.103   0.8806  569.697   15.399  590.666   20.095  539.864   23.969   66.271   1.1289   63.332   1.4091 2.939598 1.805527 
1 1 1    3    1  -45 o   73.979   0.8568  735.516   17.025  744.313   25.126  728.048   23.150   74.389   1.2575   73.579   1.1714 0.8097229 1.718585 
1 1 1    3    1  -44 o   26.674   0.9877   95.634   7.0765   97.492   10.026   93.789   9.9892   26.886   1.3932   26.367   1.4157 0.5189419 1.986284 
1 1 1    3    1  -43 o   75.435   0.8227  764.568   16.668  753.263   23.399  776.215   23.750   74.856   1.1638   75.988   1.1637 -1.131920 1.645767 
1 1 1    3    1  -42 o  109.659   1.1011  1616.19   32.431  1612.64   45.764  1619.76   45.965  109.497   1.5561  109.738   1.5595 -0.2410202 2.203026 
1 1 1    3    1  -41 o   48.630   0.7952  317.714   10.387  304.891   15.340  328.571   14.115   47.628   1.1991   49.447   1.0628 -1.819374 1.602325 
1 1 1    3    1  -40 o   87.745   0.9149  1034.42   21.563  1039.84   29.292  1028.00   31.858   87.959   1.2399   87.449   1.3563 0.5091476 1.837651 
1 1 1    3    1  -39 o   56.746   0.7912  432.579   12.060  417.242   17.701  445.863   16.475   55.721   1.1827   57.604   1.0648 -1.883003 1.591431 
1 1 1    3    1  -38 o   84.292   0.9723  954.566   22.013  958.550   29.768  949.760   32.699   84.455   1.3123   84.060   1.4483 0.3945618 1.954393 
1 1 1    3    1  -37 o  108.942   0.9882  1594.41   28.915  1580.96   40.712  1608.10   41.075  108.463   1.3975  109.390   1.3980 -0.9269104 1.976715 
1 1 1    3    1  -36 o  139.825   1.1872  2626.72   44.586  2644.23   63.315  2609.49   62.796  140.262   1.6806  139.337   1.6779 0.9244080 2.374878 
1 1 1    3    1  -35 o  234.124   1.8575  7367.52  116.809  7366.49  165.176  7368.56  165.208  234.009   2.6280  234.042   2.6281 -0.3276062E-01 3.716635 
1 1 1    3    1  -34 o  128.298   1.2164  2211.22   41.917  2238.50   59.697  2184.68   58.870  129.067   1.7221  127.506   1.7190 1.560890 2.433182 
1 1 1    3    1  -33 o  262.175   2.7024  9242.92  190.301  9383.73  254.221  9063.45  287.004  264.035   3.5847  259.395   4.1194 4.639862 5.460751 
1 1 1    3    1  -32 o   44.068   1.0280  260.842   12.168  268.350   21.421  257.265   14.785   44.690   1.7846   43.763   1.2578 0.9273300 2.183326 
1 1 1    3    1  -31 o  176.686   1.5017  4193.71   71.267  4118.53  104.487  4259.11   97.454  175.064   2.2222  178.036   2.0380 -2.972107 3.015184 
1 1 1    3    1  -30 o   86.036   1.1937  994.252   27.584  1000.08   47.764  991.336   33.788   86.273   2.0613   85.906   1.4644 0.3671570 2.528482 
1 1 1    3    1  -29 o  123.546   1.6699  2050.46   55.413  1942.03   69.413  2240.99   92.009  120.223   2.1496  129.129   2.6529 -8.905792 3.414466 
1 1 1    3    1  -28 o  197.729   1.7385  5252.10   92.331  5210.00  129.905  5295.09  131.256  196.905   2.4563  198.506   2.4618 -1.601044 3.477611 
1 1 1    3    1  -27 o  148.931   1.3578  2979.25   54.315  2932.58   76.055  3027.83   77.593  147.747   1.9165  150.127   1.9243 -2.380234 2.715882 
1 1 1    3    1  -26 o  206.678   1.6498  5737.94   91.585  5804.75  130.464  5673.02  128.598  207.852   2.3369  205.480   2.3301 2.371735 3.300075 
1 1 1    3    1  -25 o  211.838   1.6866  6028.06   95.963  6032.51  135.771  6023.61  135.653  211.890   2.3856  211.734   2.3853 0.1562653 3.373580 
1 1 1    3    1  -24 o  150.398   1.4397  3038.20   58.156  2941.12   85.587  3121.47   79.267  147.960   2.1536  152.435   1.9361 -4.474487 2.895934 
1 1 1    3    1  -23 o  401.771   3.4020 21695.37  367.116 21778.94  520.358 21612.56  518.010  402.382   4.8147  400.842   4.8114 1.539612 6.806712 
1 1 1    3    1  -22 o  257.777   2.6526  8927.39  183.655  9077.85  245.694  8736.87  276.479  259.900   3.5196  254.944   4.0376 4.956512 5.356315 
1 1 1    3    1  -21 o  416.404   3.9367 23302.62  440.293 23171.00  620.273 23436.29  625.090  415.077   5.5637  417.445   5.5751 -2.368164 7.876307 
1 1 1    3    1  -20 o  212.400   2.2120  6059.70  126.192  6150.00  168.374  5943.96  190.612  213.962   2.9298  210.337   3.3740 3.625565 4.468535 
1 1 1    3    1  -19 o   55.675   0.8949  416.284   13.383  426.620   17.843  402.994   20.234   56.361   1.1787   54.778   1.3752 1.583225 1.811228 
1 1 1    3    1  -18 o  429.997   4.0613 24841.33  469.053 25142.94  598.253 24360.11  755.669  432.544   5.1495  425.664   6.6096 6.880005 8.378744 
1 1 1    3    1  -17 f  127.950   1.6826  2198.73   57.824  2293.07   93.517  2140.33   73.574  130.660   2.6648  126.237   2.1699 4.423012 3.436496 
1 1 1    3    1  -16 o  728.685   5.5837 71356.48  1092.83 71255.54  1543.86 71457.85  1547.12  727.926   7.8964  728.958   7.9019 -1.031982 11.17108 
1 1 1    3    1  -15 o  209.430   2.1773  5890.90  122.473  5949.44  163.238  5815.50  185.248  210.460   2.8878  208.071   3.3147 2.388290 4.396204 
1 1 1    3    1  -14 o  526.463   4.0446 37234.71  571.917 36874.59  803.850 37603.87  813.869  523.821   5.7135  528.975   5.7283 -5.153564 8.090574 
1 1 1    3    1  -13 o  438.763   3.3795 25860.22  398.264 26235.86  526.182 25356.38  609.397  441.899   4.4332  434.392   5.2231 7.506256 6.850847 
1 1 1    3    1  -12 o   98.692   1.7481  1308.15   46.339  1300.84   56.600  1323.00   80.701   98.414   2.1413   99.243   3.0275 -0.8293457 3.708218 
1 1 1    3    1  -11 o  132.520   1.4470  2358.57   51.504  2274.23   66.699  2483.12   81.057  130.126   1.9084  135.969   2.2195 -5.842636 2.927137 
1 1 1    3    1  -10 o  215.188   1.8631  6219.34  107.685  6229.42  139.194  6204.31  169.946  215.355   2.4064  214.912   2.9441 0.4436188 3.802490 
1 1 1    3    1   -9 o  282.526   2.2017 10721.35  167.072 10771.80  236.805 10671.36  235.750  283.167   3.1135  281.844   3.1142 1.323273 4.403709 
1 1 1    3    1   -8 o  166.586   1.3454  3727.08   60.200  3708.60   84.883  3745.79   85.392  166.167   1.9019  166.998   1.9038 -0.8311768 2.690989 
1 1 1    3    1   -7 o   86.337   0.8710  1001.08   20.199  987.879   31.849  1009.96   26.125   85.764   1.3826   86.718   1.1216 -0.9541855 1.780356 
1 1 1    3    1   -6 o  373.171   3.1575 18709.72  316.477 18783.28  501.574 18661.07  407.931  373.782   4.9960  372.632   4.0758 1.149994 6.447684 
1 1 1    3    1   -5 o  184.390   1.4728  4566.45   72.940  4398.06  100.808  4751.47  105.668  180.949   2.0742  188.079   2.0918 -7.129257 2.945795 
1 1 1    3    1   -4 o   85.440   0.9048  980.393   20.763  957.462   27.511  1010.74   31.647   84.433   1.2131   86.750   1.3582 -2.316460 1.821105 
1 1 1    3    1   -3 o  288.579   2.3452 11186.95  181.778 11117.63  268.373 11245.70  247.089  287.637   3.4738  289.303   3.1799 -1.666168 4.709432 
1 1 1    3    1   -2 o  654.662   7.1115 57704.73  1250.46 58742.17  1788.16 56711.87  1749.32  659.663   10.092  648.178   10.048 11.48560 14.24147 
1 1 1    3    1   -1 o  237.280   2.0394  7562.69  129.970  7515.97  204.592  7594.30  168.291  236.508   3.2207  237.758   2.6353 -1.250351 4.161488 
1 1 1    3    1    0 o  744.067   8.0852 74604.01  1615.82 78031.94  2038.02 68802.52  2651.33  760.294   9.9801  712.211   13.860 48.08234 17.07929 
1 1 1    3    1    1 o  152.350   1.3577  3117.35   55.557  3014.39   77.064  3228.76   80.166  149.805   1.9153  155.041   1.9251 -5.235107 2.715558 
1 1 1    3    1    2 o  621.340   5.5067 51926.59  918.996 53632.36  1407.84 50660.09  1213.10  630.843   8.3088  613.344   7.3638 17.49945 11.10237 
1 1 1    3    1    3 o  259.355   2.0260  9035.27  141.130  8940.92  198.318  9132.08  200.881  257.971   2.8622  260.714   2.8687 -2.742859 4.052344 
1 1 1    3    1    4 o  535.455   4.1125 38535.78  591.460 38344.94  833.878 38729.00  839.048  533.908   5.8149  536.575   5.8219 -2.666138 8.228479 
1 1 1    3    1    5 o  511.536   3.9304 35165.84  540.013 34933.38  760.362 35402.41  767.070  509.663   5.5545  513.072   5.5663 -3.408539 7.863585 
1 1 1    3    1    6 o  220.708   1.7399  6542.65  103.140  6591.30  146.522  6494.88  145.211  221.512   2.4627  219.886   2.4587 1.626129 3.479988 
1 1 1    3    1    7 o  153.040   1.3030  3145.58   53.561  3185.48   73.102  3099.33   78.701  154.003   1.7673  151.905   1.9289 2.098450 2.616123 
1 1 1    3    1    8 o  261.602   2.0444  9192.03  143.645  9151.09  202.614  9233.41  203.679  260.999   2.8903  262.170   2.8925 -1.171234 4.089028 
1 1 1    3    1    9 o  198.326   1.5771  5282.71   84.010  5223.16  118.009  5343.90  119.624  197.197   2.2280  199.463   2.2329 -2.266113 3.154348 
1 1 1    3    1   10 o  123.208   1.1402  2038.70   37.733  1997.88   48.186  2103.42   60.670  121.966   1.4709  125.144   1.8050 -3.178001 2.328423 
1 1 1    3    1   11 o  436.312   3.6809 25574.76  431.365 25842.76  560.854 25186.62  674.956  438.539   4.7616  432.873   5.8053 5.666199 7.508249 
1 1 1    3    1   12 o  227.266   2.1940  6937.14  133.928  6960.67  189.969  6913.88  188.841  227.638   3.1070  226.872   3.0990 0.7661896 4.388352 
1 1 1    3    1   13 o  332.007   2.8198 14805.79  251.449 15211.14  404.570 14550.65  320.972  336.476   4.4766  329.115   3.6310 7.361420 5.764040 
1 1 1    3    1   14 o  254.397   2.1840  8692.21  149.228  8822.15  238.219  8608.29  191.447  256.272   3.4609  253.158   2.8156 3.114426 4.461490 
1 1 1    3    1   15 o  613.753   4.7087 50611.74  776.226 50014.53  1088.65 51229.33  1107.08  609.980   6.6448  617.341   6.6767 -7.360718 9.419740 
1 1 1    3    1   16 o  526.615   4.9559 37262.98  700.982 36716.79  878.032 38223.00  1164.06  522.659   6.2546  533.117   8.1295 -10.45813 10.25710 
1 1 1    3    1   17 f  277.977   2.6587 10378.83  198.505 10280.67  279.099 10479.33  282.387  276.637   3.7563  279.296   3.7643 -2.659760 5.317871 
1 1 1    3    1   18 o  488.503   3.7578 32059.19  493.052 32130.48  698.171 31988.26  696.394  488.957   5.3162  487.874   5.3144 1.083191 7.516955 
1 1 1    3    1   19 o  190.109   1.5251  4853.99   77.875  4791.11  109.224  4919.01  111.064  188.867   2.1531  191.372   2.1608 -2.504242 3.050368 
1 1 1    3    1   20 o  323.650   2.7543 14071.39  239.430 13901.67  306.687 14336.28  383.143  321.663   3.5498  326.613   4.3675 -4.950104 5.628174 
1 1 1    3    1   21 o  328.227   2.5490 14472.46  224.719 14457.83  317.569 14487.13  318.034  328.012   3.6046  328.344   3.6062 -0.3320923 5.098822 
1 1 1    3    1   22 o  724.082   6.4186 70576.74  1248.31 69278.55  1849.73 71662.45  1691.59  716.344   9.6138  728.934   8.6400 -12.58990 12.92575 
1 1 1    3    1   23 o  104.165   1.0813  1457.28   30.253  1464.94   40.651  1447.77   45.293  104.435   1.4492  103.820   1.6243 0.6157227 2.176794 
1 1 1    3    1   24 o   75.342   1.3630  762.429   27.582  764.484   38.916  760.355   39.099   75.438   1.9207   75.234   1.9349 0.2041168 2.726336 
1 1 1    3    1   25 o  183.477   1.6229  4521.93   79.976  4669.57  115.256  4384.83  111.065  186.426   2.3018  180.654   2.2890 5.772781 3.246163 
1 1 1    3    1   26 o  349.570   3.3229 16427.22  311.991 16469.75  442.024 16384.99  440.423  349.846   4.7041  348.946   4.6992 0.9006042 6.649107 
1 1 1    3    1   27 o  221.672   1.8384  6601.21  109.459  6575.89  161.934  6622.51  148.531  221.205   2.7255  222.000   2.4910 -0.7955017 3.692365 
1 1 1    3    1   28 o  154.755   1.3378  3216.85   55.608  3141.34   74.214  3313.52   83.968  152.917   1.8069  157.046   1.9907 -4.129303 2.688430 
1 1 1    3    1   29 o  120.638   1.1524  1954.75   37.339  1961.85   52.896  1947.70   52.715  120.848   1.6296  120.411   1.6300 0.4365082 2.304882 
1 1 1    3    1   30 o  121.885   1.1639  1995.43   38.102  2009.65   54.073  1981.40   53.697  122.309   1.6460  121.446   1.6462 0.8629913 2.327905 
1 1 1    3    1   31 o  136.526   1.4194  2503.85   52.049  2486.51   73.315  2521.46   73.906  136.034   2.0066  136.986   2.0087 -0.9524841 2.839216 
1 1 1    3    1   32 o  215.741   1.8870  6254.13  109.345  6318.18  155.671  6191.76  153.625  216.783   2.6736  214.604   2.6652 2.179001 3.775080 
1 1 1    3    1   33 o  161.239   1.3320  3492.53   57.684  3496.92   81.646  3488.15   81.510  161.315   1.8844  161.113   1.8836 0.2023621 2.664366 
1 1 1    3    1   34 o   83.287   0.9234  931.726   20.657  920.415   29.118  943.186   29.309   82.772   1.3097   83.790   1.3023 -1.017830 1.847017 
1 1 1    3    1   35 o  156.614   1.5898  3296.04   66.877  3179.80   82.966  3511.69  113.004  153.799   2.0084  161.572   2.6040 -7.772919 3.288519 
1 1 1    3    1   36 o  145.124   1.2223  2829.64   47.645  2851.77   67.669  2807.89   67.096  145.658   1.7297  144.533   1.7284 1.125015 2.445196 
1 1 1    3    1   37 o   43.823   0.8996  257.987   10.589  273.577   15.241  243.440   14.722   45.122   1.2576   42.564   1.2878 2.558342 1.799949 
1 1 1    3    1   38 o   64.124   0.7636  552.349   13.151  559.548   18.651  545.230   18.547   64.533   1.0760   63.702   1.0840 0.8312149 1.527380 
1 1 1    3    1   39 o   20.749   1.0074   57.846   5.6141   61.258   8.0037   54.542   7.8768   21.301   1.4069   20.089   1.4700 1.212170 2.034762 
1 1 1    3    1   40 o   90.502   0.9730  1100.52   23.652  1106.56   33.568  1094.56   33.332   90.728   1.3775   90.235   1.3753 0.4931488 1.946539 
1 1 1    3    1   41 o   21.320   1.0200   61.082   5.8410   66.821   8.4123   55.739   8.1165   22.249   1.4151   20.304   1.4989 1.944099 2.061338 
1 1 1    3    1   42 o   26.450   0.8997   94.004   6.3918   96.433   9.0506   91.587   9.0282   26.783   1.2581   26.101   1.2878 0.6822453 1.800384 
1 1 1    3    1   43 o   93.080   0.9513  1164.29   23.782  1173.62   35.466  1156.66   32.058   93.415   1.4135   92.749   1.2869 0.6658630 1.911560 
1 1 1    3    1   44 o   93.540   1.1145  1176.27   28.001  1146.30   39.076  1207.90   40.145   92.292   1.5763   94.739   1.5777 -2.447433 2.230213 
1 1 1    3    1   45 o   63.100   0.8692  535.117   14.731  540.485   20.928  529.845   20.740   63.392   1.2291   62.765   1.2303 0.6271248 1.739044 
1 1 1    3    1   46 o   16.765   1.3068   38.047   5.8381   41.297   8.3460   34.934   8.1695   17.410   1.8113   15.978   1.9437 1.432690 2.656823 
1 1 1    3    1   47 o   61.743   0.8615  512.444   14.286  516.848   20.142  507.985   20.267   61.979   1.2099   61.443   1.2281 0.5354843 1.723975 
1 1 1    3    1   48 o   14.610   1.5305   29.070   5.9166   32.435   8.4008   25.759   8.3342   15.355   2.0913   13.604   2.3668 1.750993 3.158398 
1 1 1    3    1   49 o   37.338   0.8959  187.449   8.9843  186.958   12.787  187.927   12.626   37.266   1.2775   37.364   1.2582 -0.9778976E-01 1.793013 
1 1 1    3    1   50 o   29.047   1.0797  113.519   8.4234  115.537   11.878  111.478   11.947   29.238   1.5178   28.714   1.5549 0.5241966 2.172875 
1 1 1    3    1   51 o   49.675   0.8164  331.780   10.893  336.894   15.488  326.774   15.322   50.027   1.1526   49.270   1.1578 0.7576523 1.633769 
1 1 1    3    1   52 o   53.803   0.8308  389.278   12.005  403.362   17.119  375.649   16.840   54.732   1.1645   52.816   1.1871 1.916431 1.662946 
1 1 1    3    1   53 o   58.152   0.8873  454.916   13.859  443.827   19.455  466.339   19.746   57.388   1.2622   58.828   1.2497 -1.439457 1.776199 
1 1 1    3    1   54 o   31.352   1.1545  132.424   9.7219  130.419   13.756  134.425   13.742   31.019   1.6571   31.498   1.6299 -0.4787712 2.324330 
1 1 1    3    1   55 o   22.563   1.4899   69.041   8.9783   65.028   12.456   73.381   12.952   21.777   2.1581   23.156   2.1055 -1.379749 3.015065 
1 1 1    3    1   56 o   56.349   0.8799  427.249   13.318  427.303   18.863  427.195   18.805   56.297   1.2475   56.290   1.2438 0.6496429E-02 1.761597 
1 1 1    3    1   57 o   39.180   1.0593  206.752   11.148  216.236   16.621  198.998   15.029   40.003   1.5470   38.388   1.4576 1.614288 2.125474 
1 1 1    3    1   58 o   17.565   1.7664   42.208   8.2207   45.920   11.720   38.612   11.534   18.181   2.4635   16.593   2.6793 1.587868 3.639693 
1 1 1    3    1   59 o   42.572   0.9559  244.094   10.930  239.683   15.446  248.518   15.468   42.122   1.3653   42.895   1.3426 -0.7734680 1.914813 
1 1 1    3    1   60 o   13.084   2.1980   24.008   7.4502   20.822   10.613   27.103   10.461   12.011   3.2228   13.743   2.9238 -1.732139 4.351422 
1 1 1    3    1   61 o   11.373   2.6160   18.585   7.8245   23.257   11.009   13.817   11.123   12.629   3.2321   10.144   3.4322 2.484836 4.714489 
1 1 1    3    1   62 o   8.1341   3.0374   7.4153   8.9173   8.1342   12.735   6.7236   12.491   9.1353   3.5747   8.8158   3.5118 0.3194637 5.011089 
1 1 1    3    1   63 o   47.068   1.0593  299.637   13.392  315.787   20.009  286.532   18.024   48.128   1.5479   45.881   1.4626 2.246738 2.129593 
1 1 1    3    1   64 o   19.881   1.4544   54.190   7.7124   54.522   10.957   53.863   10.858   19.728   2.1000   19.610   2.0938 0.1184826 2.965496 
1 1 1    3    2  -64 o   6.3605   2.6910   1.1012   7.9295  -3.5563   10.986   6.1662   11.457   6.6375   2.9762   8.3610   3.3521 -1.723530 4.482712 
1 1 1    3    2  -63 o   9.4842   2.7521   12.975   7.4222   18.110   10.462   7.7709   10.532   11.105   3.2803   8.5310   3.2746 2.574147 4.635016 
1 1 1    3    2  -62 o   18.751   1.6496   48.276   8.2234   51.542   11.695   45.081   11.566   19.183   2.3166   17.871   2.4761 1.312258 3.390826 
1 1 1    3    2  -61 o   31.264   1.1076  132.007   9.3004  124.511   13.096  139.635   13.211   30.224   1.6191   32.071   1.5336 -1.846767 2.230085 
1 1 1    3    2  -60 f   60.350   0.9842  490.955   15.954  492.609   23.183  489.466   21.988   60.327   1.4308   60.157   1.3609 0.1702957 1.974599 
1 1 1    3    2  -59 o   36.700   1.0585  181.537   10.434  193.593   14.561  168.815   14.958   37.842   1.4326   35.313   1.5771 2.529366 2.130658 
1 1 1    3    2  -58 o   11.933   2.5834   20.211   8.0399   25.138   10.749   13.955   12.113   13.249   3.0793   10.412   3.5808 2.836729 4.722723 
1 1 1    3    2  -57 o   25.264   1.3858   86.404   9.3678   70.161   13.008  103.907   13.502   22.618   2.1677   27.636   1.8294 -5.017794 2.836519 
1 1 1    3    2  -56 o   24.309   1.2054   79.653   7.8701   85.329   11.181   74.081   11.079   25.063   1.6705   23.326   1.7819 1.737183 2.442497 
1 1 1    3    2  -55 o   31.940   1.0576  137.387   9.0726  154.063   13.229  122.578   12.466   33.781   1.4580   30.083   1.5481 3.698105 2.126605 
1 1 1    3    2  -54 o   61.568   0.8635  509.977   14.280  518.249   20.206  501.724   20.183   62.012   1.2132   61.012   1.2316 0.9999695 1.728779 
1 1 1    3    2  -53 o   24.120   1.2255   78.591   7.9133   87.245   11.093   69.624   11.292   25.361   1.6372   22.605   1.8768 2.755997 2.490605 
1 1 1    3    2  -52 o   10.033   2.4665   14.222   6.6000   2.4016   9.8207   23.957   8.9129   7.4102   3.0539   13.039   2.6356 -5.629088 4.033901 
1 1 1    3    2  -51 o   84.012   0.8935  949.223   20.163  927.544   28.256  971.712   28.780   82.987   1.2677   84.941   1.2615 -1.954086 1.788386 
1 1 1    3    2  -50 o   30.941   1.1196  128.832   9.3042  147.473   13.434  111.646   12.899   33.076   1.5121   28.718   1.6796 4.357838 2.259976 
1 1 1    3    2  -49 o   42.866   0.8175  247.017   9.4127  263.992   13.458  230.759   13.170   44.294   1.1312   41.408   1.1842 2.885540 1.637625 
1 1 1    3    2  -48 o   29.192   0.9155  114.580   7.1784  112.293   10.246  116.786   10.061   28.881   1.3208   29.456   1.2716 -0.5748768 1.833463 
1 1 1    3    2  -47 f   42.103   0.9009  238.309   10.188  239.150   14.474  237.483   14.342   42.154   1.2784   42.008   1.2711 0.1467247 1.802785 
1 1 1    3    2  -46 o   33.919   0.9020  154.655   8.2178  154.553   11.557  154.759   11.688   33.892   1.2695   33.914   1.2831 -0.2188110E-01 1.805012 
1 1 1    3    2  -45 o   51.502   0.7733  356.427   10.697  353.836   15.133  359.013   15.123   51.298   1.0983   51.673   1.0896 -0.3744125 1.547133 
1 1 1    3    2  -44 o   40.587   0.7869  221.340   8.5781  208.780   12.121  233.944   12.142   39.406   1.1452   41.716   1.0836 -2.309750 1.576612 
1 1 1    3    2  -43 o   83.523   1.0308  937.601   23.124  933.633   32.588  941.625   32.816   83.313   1.4563   83.668   1.4603 -0.3554611 2.062347 
1 1 1    3    2  -42 o  170.740   1.5435  3921.13   70.785  3892.37   99.694  3950.36  100.520  169.980   2.1836  171.240   2.1855 -1.260956 3.089469 
1 1 1    3    2  -41 o  110.714   1.0067  1647.12   29.935  1662.01   42.529  1632.49   42.144  111.180   1.4242  110.188   1.4240 0.9917145 2.013963 
1 1 1    3    2  -40 o   37.369   0.8656  187.609   8.6876  184.205   12.340  190.955   12.233   37.020   1.2410   37.693   1.2083 -0.6730270 1.732086 
1 1 1    3    2  -39 o   68.399   0.8999  628.546   16.533  618.954   22.043  640.881   24.996   67.865   1.2093   69.051   1.3478 -1.185722 1.810791 
1 1 1    3    2  -38 o  120.001   1.1044  1934.88   35.597  1924.79   48.126  1947.06   52.896  119.662   1.4974  120.341   1.6365 -0.6791840 2.218170 
1 1 1    3    2  -37 o   44.081   0.7318  261.006   8.6640  266.626   12.310  255.489   12.196   44.549   1.0288   43.608   1.0413 0.9405251 1.463789 
1 1 1    3    2  -36 o   81.106   0.8327  883.602   18.140  893.061   25.747  874.281   25.560   81.530   1.1758   80.668   1.1797 0.8619003 1.665568 
1 1 1    3    2  -35 o  129.097   1.1621  2238.95   40.295  2265.10   54.996  2208.64   59.208  129.830   1.5771  128.194   1.7196 1.636093 2.333287 
1 1 1    3    2  -34 o  141.989   1.8746  2709.58   71.490  2764.23   93.278  2631.77  111.297  143.378   2.4222  139.857   2.9628 3.521210 3.826916 
1 1 1    3    2  -33 o  176.648   1.5759  4192.53   74.772  4237.22  106.379  4148.89  105.119  177.546   2.2308  175.686   2.2277 1.860199 3.152596 
1 1 1    3    2  -32 o  128.937   1.1100  2233.07   38.439  2193.42   53.831  2274.32   54.907  127.774   1.5685  130.109   1.5712 -2.334946 2.220126 
1 1 1    3    2  -31 o   70.614   0.8857  669.717   16.799  652.344   24.999  684.020   22.683   69.687   1.3356   71.361   1.1835 -1.673798 1.784504 
1 1 1    3    2  -30 o   53.904   0.8860  390.254   12.827  402.155   18.260  378.659   18.023   54.717   1.2425   53.095   1.2638 1.622734 1.772282 
1 1 1    3    2  -29 o  210.652   1.8424  5961.54  104.244  5918.96  146.805  6004.86  148.050  209.859   2.6045  211.376   2.6077 -1.517151 3.685583 
1 1 1    3    2  -28 o   52.848   0.8097  375.103   11.493  391.227   17.309  362.388   15.370   53.970   1.1940   51.943   1.1017 2.026649 1.624639 
1 1 1    3    2  -27 o  170.200   1.4492  3891.07   66.250  3919.23   90.140  3857.99   97.699  170.800   1.9649  169.454   2.1466 1.345840 2.910077 
1 1 1    3    2  -26 o   51.294   0.7553  353.355   10.406  358.534   14.783  348.268   14.650   51.667   1.0652   50.922   1.0712 0.7451363 1.510665 
1 1 1    3    2  -25 o  100.682   1.4079  1361.57   38.072  1296.50   47.928  1472.87   62.677   98.241   1.8164  104.702   2.2287 -6.461403 2.875139 
1 1 1    3    2  -24 o  375.227   3.1821 18924.04  320.703 18642.76  449.100 19216.74  458.120  372.273   4.4915  377.957   4.5128 -5.684296 6.367000 
1 1 1    3    2  -23 o   73.506   1.0968  725.686   21.654  715.387   30.365  736.342   30.887   72.980   1.5491   74.041   1.5532 -1.061111 2.193643 
1 1 1    3    2  -22 o  168.841   1.6815  3829.06   76.256  3948.72  109.887  3717.91  105.908  171.443   2.3863  166.358   2.3703 5.085541 3.363438 
1 1 1    3    2  -21 o  193.561   1.6208  5032.16   84.264  4969.40  113.209  5110.12  126.179  192.339   2.1914  195.039   2.4086 -2.699463 3.256345 
1 1 1    3    2  -20 o  234.552   2.2685  7389.77  142.914  7325.08  200.846  7456.10  203.401  233.499   3.2025  235.578   3.2146 -2.078568 4.537560 
1 1 1    3    2  -19 o  308.277   2.3984 12765.13  198.587 12560.11  278.006 12978.74  283.771  305.763   3.3851  310.816   3.3992 -5.053314 4.797240 
1 1 1    3    2  -18 o  553.464   5.2100 41168.07  774.503 41182.89  894.815 41123.81  1546.43  553.496   6.0190  552.558   10.420 0.9377441 12.03337 
1 1 1    3    2  -17 o  199.281   1.6604  5333.65   88.876  5432.73  121.712  5220.46  130.084  201.118   2.2532  197.148   2.4566 3.970551 3.333428 
1 1 1    3    2  -16 o  365.919   3.0999 17985.57  304.667 17825.50  478.667 18094.58  395.012  364.229   4.8929  367.000   4.0073 -2.770844 6.324481 
1 1 1    3    2  -15 o  304.853   2.3706 12482.29  194.111 12354.34  272.627 12613.84  276.441  303.268   3.3470  306.437   3.3587 -3.168213 4.741611 
1 1 1    3    2  -14 o  484.700   3.7276 31559.84  485.288 32100.38  693.891 31042.33  678.955  488.761   5.2857  480.640   5.2593 8.121002 7.456479 
1 1 1    3    2  -13 o  525.021   4.0330 37031.31  568.724 36987.11  803.718 37075.65  804.878  524.616   5.7039  525.243   5.7053 -0.6275024 8.067502 
1 1 1    3    2  -12 o  102.511   1.2811  1411.31   35.274  1366.21   49.117  1459.34   50.691  100.858   1.8131  104.239   1.8105 -3.380692 2.562317 
1 1 1    3    2  -11 o  496.297   4.4056 33094.71  587.272 33272.80  883.739 32953.87  785.899  497.479   6.6139  495.144   5.9094 2.334961 8.869314 
1 1 1    3    2  -10 o  223.080   1.9271  6683.87  115.469  6666.59  148.852  6709.98  182.977  222.784   2.4876  223.498   3.0481 -0.7140656 3.934351 
1 1 1    3    2   -9 o  258.109   2.2113  8948.15  153.303  8953.13  198.068  8940.70  242.111  258.168   2.8564  257.972   3.4942 0.1954651 4.513168 
1 1 1    3    2   -8 o   69.813   1.0781  654.560   20.215  616.904   25.523  717.946   33.113   67.774   1.4021   73.113   1.6862 -5.338860 2.192985 
1 1 1    3    2   -7 o  476.245   3.6621 30474.60  468.438 30161.78  658.005 30796.07  667.029  473.677   5.1720  478.630   5.1886 -4.953186 7.326055 
1 1 1    3    2   -6 o  417.741   3.5265 23447.26  395.680 24131.16  637.593 23018.89  504.604  423.630   5.6036  413.840   4.5397 9.789276 7.211710 
1 1 1    3    2   -5 o  525.484   4.6619 37117.91  657.982 36994.72  984.909 37217.21  884.261  524.307   6.9939  525.990   6.2591 -1.683472 9.385663 
1 1 1    3    2   -4 o  409.563   3.4596 22539.10  380.575 22318.49  597.206 22689.95  493.836  407.390   5.4578  410.857   4.4751 -3.466248 7.057936 
1 1 1    3    2   -3 o  254.133   2.1780  8675.19  148.663  8388.53  229.926  8881.11  194.877  249.858   3.4261  257.112   2.8219 -7.253891 4.438642 
1 1 1    3    2   -2 o  603.255   4.8357 48927.55  783.532 48753.21  1159.38 49074.13  1063.04  601.772   7.1730  603.873   6.5541 -2.100891 9.716388 
1 1 1    3    2   -1 f  501.327   4.0253 33779.22  542.022 33539.82  730.104 34073.18  809.027  499.384   5.4432  503.262   5.9852 -3.878754 8.090194 
1 1 1    3    2    0 o  259.978   2.0307  9078.71  141.796  8991.45  199.332  9168.10  201.750  258.700   2.8687  261.228   2.8754 -2.528717 4.061730 
1 1 1    3    2    1 f  238.493   1.8705  7639.88  119.819  7691.70  170.181  7588.94  168.727  239.279   2.6480  237.676   2.6431 1.603500 3.741323 
1 1 1    3    2    2 o   15.201   0.6212   31.031   2.5362   32.973   3.4147   28.642   3.7878   15.648   0.8153   14.571   0.9734 1.076476 1.269749 
1 1 1    3    2    3 o   88.691   0.8820  1056.42   21.010  1058.73   29.772  1054.12   29.654   88.786   1.2484   88.593   1.2462 0.1936722 1.764003 
1 1 1    3    2    4 o  504.560   3.8774 34212.13  525.465 34930.57  753.426 33531.71  733.225  509.655   5.5039  499.350   5.4669 10.30481 7.757577 
1 1 1    3    2    5 o  487.572   3.7482 31944.78  490.861 32145.85  697.174 31747.13  691.230  488.956   5.3086  485.916   5.2963 3.040527 7.498766 
1 1 1    3    2    6 o  218.300   1.7229  6400.61  101.022  6375.59  142.630  6425.80  143.104  217.860   2.4375  218.716   2.4360 -0.8562164 3.446073 
1 1 1    3    2    7 o  701.929   5.6208 66245.53  1059.70 66664.90  1577.77 65900.88  1430.33  703.651   8.3482  699.759   7.6102 3.891296 11.29638 
1 1 1    3    2    8 o   46.113   0.9126  285.577   11.304  289.201   14.683  280.304   17.710   46.404   1.1781   45.684   1.4433 0.7199249 1.863060 
1 1 1    3    2    9 o  300.854   2.5613 12158.02  206.970 12291.80  269.131 11964.39  323.791  302.484   3.3126  298.404   4.0399 4.080414 5.224354 
1 1 1    3    2   10 o  108.179   1.0291  1571.68   29.902  1579.84   38.752  1559.66   47.009  108.459   1.3303  107.763   1.6241 0.6961212 2.099380 
1 1 1    3    2   11 o  574.140   4.4061 44290.38  679.464 44416.26  962.248 44165.20  959.572  574.814   6.2326  573.187   6.2329 1.626892 8.814409 
1 1 1    3    2   12 o  159.205   1.6964  3404.10   72.538  3493.77  137.648  3369.63   85.352  161.275   3.1777  158.395   2.0062 2.880112 3.758012 
1 1 1    3    2   13 o  430.634   3.4654 24911.01  400.822 24672.21  590.935 25114.49  545.486  428.498   5.1345  432.342   4.6975 -3.843719 6.959117 
1 1 1    3    2   14 o  178.490   1.6581  4278.75   79.493  4270.56  106.559  4289.02  119.367  178.315   2.2249  178.698   2.4870 -0.3827667 3.336954 
1 1 1    3    2   15 o  257.674   2.4733  8917.87  171.178  8763.12  276.116  9014.48  218.161  255.402   4.0251  259.056   3.1354 -3.654617 5.102161 
1 1 1    3    2   16 o  248.505   2.2528  8294.33  150.366  8433.18  227.784  8187.10  200.179  250.559   3.3847  246.883   3.0188 3.676254 4.535363 
1 1 1    3    2   17 o  644.298   5.4134 55787.94  936.797 55271.24  1201.90 56587.71  1495.32  641.159   6.9793  648.556   8.5841 -7.397095 11.06332 
1 1 1    3    2   18 o  345.648   2.9360 16048.38  272.569 16810.81  444.484 15588.87  345.065  353.700   4.6787  340.638   3.7715 13.06201 6.009574 
1 1 1    3    2   19 o   63.254   1.3846  537.362   23.524  540.802   28.685  530.300   41.107   63.455   1.6830   62.833   2.4357 0.6223068 2.960650 
1 1 1    3    2   20 o  369.568   3.1327 18349.47  310.957 18223.07  437.791 18478.17  441.756  368.220   4.4266  370.788   4.4357 -2.567810 6.266584 
1 1 1    3    2   21 o  184.831   1.9515  4588.73   96.881  4585.75  147.944  4590.97  128.191  184.747   2.9815  184.862   2.5818 -0.1153870 3.943928 
1 1 1    3    2   22 o   18.101   0.8577   44.002   4.1701   45.208   5.6681   42.579   6.1570   18.310   1.1585   17.758   1.2999 0.5524635 1.741264 
1 1 1    3    2   23 o  119.746   1.1352  1925.86   36.512  1930.07   51.681  1921.66   51.591  119.871   1.6052  119.610   1.6059 0.2613525 2.270563 
1 1 1    3    2   24 o  242.649   1.9128  7909.55  124.667  7955.64  176.904  7864.08  175.712  243.318   2.7069  241.914   2.7043 1.403992 3.826272 
1 1 1    3    2   25 o  188.111   1.5150  4753.12   76.544  4670.79  107.090  4839.13  109.448  186.456   2.1384  189.786   2.1471 -3.329941 3.030279 
1 1 1    3    2   26 o  183.145   1.8122  4505.94   89.146  4408.97  124.332  4608.52  127.886  181.137   2.5556  185.190   2.5711 -4.053116 3.625088 
1 1 1    3    2   27 o  266.212   2.4139  9522.73  172.598  9838.96  264.414  9287.95  227.833  270.500   3.6394  262.852   3.2271 7.647736 4.864063 
1 1 1    3    2   28 o  124.699   1.4000  2088.70   46.889  2082.02   61.983  2097.63   71.694  124.490   1.8537  124.949   2.1363 -0.4588089 2.828420 
1 1 1    3    2   29 o  263.862   2.2707  9355.44  160.926  9439.03  255.901  9300.75  206.973  264.924   3.5963  263.039   2.9296 1.884247 4.638517 
1 1 1    3    2   30 o  162.214   1.3358  3534.53   58.201  3615.61   83.392  3457.53   81.268  164.045   1.8926  160.419   1.8861 3.625900 2.671992 
1 1 1    3    2   31 o  135.634   1.2611  2471.14   45.941  2422.85   64.258  2521.63   65.706  134.288   1.7816  136.998   1.7857 -2.709839 2.522411 
1 1 1    3    2   32 o   66.652   1.0086  596.709   18.056  590.061   23.820  605.688   27.683   66.276   1.3381   67.145   1.5350 -0.8688812 2.036341 
1 1 1    3    2   33 o  143.103   1.5868  2751.44   60.991  2679.54   79.517  2854.19   95.059  141.196   2.0967  145.705   2.4290 -4.508636 3.208773 
1 1 1    3    2   34 o  260.928   2.2512  9153.31  157.773  9113.94  222.485  9193.13  223.771  260.225   3.1832  261.352   3.1878 -1.127197 4.504930 
1 1 1    3    2   35 o   96.540   1.0591  1252.00   27.461  1250.55   36.848  1253.81   41.186   96.473   1.4220   96.593   1.5875 -0.1195450 2.131269 
1 1 1    3    2   36 o  116.394   1.0337  1819.97   32.316  1802.59   45.426  1837.77   45.983  115.818   1.4603  116.943   1.4640 -1.124580 2.067776 
1 1 1    3    2   37 o   89.110   0.8741  1066.67   20.922  1080.58   29.747  1053.06   29.431   89.676   1.2350   88.527   1.2378 1.149612 1.748518 
1 1 1    3    2   38 o   60.848   0.8216  497.374   13.428  490.926   18.944  503.885   19.037   60.444   1.1669   61.237   1.1574 -0.7928543 1.643541 
1 1 1    3    2   39 o   67.992   1.0250  621.149   18.719  610.126   22.111  649.038   35.170   67.379   1.2218   69.460   1.8852 -2.080902 2.246472 
1 1 1    3    2   40 o   27.242   0.8733   99.706   6.3901  102.449   9.0732   97.006   9.0012   27.609   1.2235   26.865   1.2474 0.7437916 1.747336 
1 1 1    3    2   41 o  128.072   1.1157  2204.40   38.379  2207.64   54.324  2201.18   54.228  128.120   1.5786  127.932   1.5782 0.1876144 2.232186 
1 1 1    3    2   42 o   37.018   0.8366  184.112   8.3184  173.667   12.416  192.620   11.205   35.941   1.2862   37.857   1.1020 -1.915806 1.693689 
1 1 1    3    2   43 o   30.291   1.0335  123.317   8.4079  122.179   11.826  124.480   11.956   30.138   1.4609   30.421   1.4633 -0.2824001 2.067738 
1 1 1    3    2   44 o   49.741   0.8035  332.454   10.735  327.575   16.044  336.409   14.445   49.357   1.2102   50.025   1.0751 -0.6677818 1.618782 
1 1 1    3    2   45 o   29.718   0.8874  118.702   7.0835  111.396   9.9893  126.091   10.046   28.776   1.2924   30.618   1.2216 -1.842010 1.778389 
1 1 1    3    2   46 o   46.230   0.9240  287.304   11.474  301.125   16.952  275.621   15.586   47.303   1.3343   45.259   1.2822 2.043884 1.850482 
1 1 1    3    2   47 f   21.589   1.1362   62.873   6.5654   64.058   9.1947   61.641   9.3777   21.747   1.5850   21.323   1.6503 0.4242096 2.288167 
1 1 1    3    2   48 o   42.183   0.8132  239.187   9.2133  252.879   13.272  226.450   12.800   43.354   1.1397   41.024   1.1617 2.329453 1.627435 
1 1 1    3    2   49 o   9.5833   2.2674   12.926   5.7452   18.515   7.9719   6.8867   8.2873   11.456   2.6444   7.9804   2.9380 3.475490 3.952846 
1 1 1    3    2   50 o   47.024   1.0088  297.456   12.742  287.271   17.865  308.003   18.179   46.172   1.4405   47.812   1.4156 -1.639812 2.019681 
1 1 1    3    2   51 o   47.543   0.8265  303.920   10.554  302.554   14.937  305.282   14.913   47.406   1.1731   47.620   1.1660 -0.2139664 1.653978 
1 1 1    3    2   52 o   2.9955   1.5119 -18.9739   5.7622 -22.4862   8.1196 -15.4103   8.1786   3.7955   1.8989   4.3404   2.1211 -0.5449548 2.846899 
1 1 1    3    2   53 o   32.016   1.1818  138.087   10.163  133.390   14.451  142.684   14.295   31.366   1.7219   32.457   1.6451 -1.090588 2.381496 
1 1 1    3    2   54 o   36.571   1.1036  180.140   10.840  169.271   15.878  189.629   14.836   35.385   1.6707   37.480   1.4738 -2.095013 2.227831 
1 1 1    3    2   55 o   73.272   0.8807  722.410   17.332  747.853   24.870  698.386   24.166   74.480   1.2432   71.973   1.2501 2.506920 1.763055 
1 1 1    3    2   56 o   28.502   1.2626  109.539   9.6655  119.967   12.790   95.658   14.758   29.748   1.6068   26.462   2.0935 3.286358 2.639023 
1 1 1    3    2   57 o   20.861   1.5152   59.098   8.4315   54.597   11.099   65.240   12.965   19.940   2.1041   21.786   2.2481 -1.845095 3.079117 
1 1 1    3    2   58 o   26.597   1.3866   95.778   9.8714   89.804   14.023  101.647   13.899   25.626   2.0546   27.306   1.9070 -1.679789 2.803244 
1 1 1    3    2   59 o   40.192   1.0313  217.693   11.133  226.078   15.965  209.757   15.532   40.890   1.4537   39.383   1.4684 1.506329 2.066238 
1 1 1    3    2   60 f   39.681   1.0331  212.327   11.011  213.873   15.818  210.873   15.337   39.739   1.4820   39.467   1.4469 0.2719688 2.071147 
1 1 1    3    2   61 o   37.855   1.1565  193.636   11.759  180.849   16.337  207.384   16.939   36.463   1.6681   39.062   1.6145 -2.599094 2.321460 
1 1 1    3    2   62 o   13.942   2.3486   27.561   8.4824   34.586   12.120   20.816   11.876   15.427   3.0330   11.913   3.4882 3.514119 4.622459 
1 1 1    3    2   63 o   18.560   1.6839   47.476   8.3032   53.218   11.781   41.809   11.705   19.455   2.2989   17.092   2.6341 2.362862 3.496223 
1 1 1    3    2   64 o   17.624   2.0298   43.523   9.4326   36.797   13.291   50.350   13.389   15.690   3.2602   18.669   2.7529 -2.978346 4.267008 
1 1 1    3    3    0 o  475.413   5.1701 30371.48  660.183 30433.83  934.688 30309.41  932.595  475.758   7.3146  474.784   7.3131 0.9734192 10.34336 
1 1 1    3    3    1 o  245.990   1.9275  8127.74  127.352  8058.63  179.099  8198.42  181.125  244.922   2.7225  247.037   2.7298 -2.114929 3.855360 
1 1 1    3    3    2 o  227.353   1.7889  6942.61  109.239  6974.42  154.982  6911.21  153.998  227.857   2.5324  226.822   2.5278 1.034683 3.578062 
1 1 1    3    3    3 o   83.421   0.7735  934.594   17.332  975.378   24.993  896.811   24.056   85.221   1.0919   81.716   1.0960 3.504341 1.547105 
1 1 1    3    3    4 o  224.527   1.7682  6771.00  106.631  6743.72  150.392  6798.57  151.210  224.060   2.4990  224.969   2.5024 -0.9091339 3.536562 
1 1 1    3    3    5 o   66.759   0.6776  598.533   12.149  581.838   16.989  616.005   17.381   65.821   0.9610   67.726   0.9555 -1.905029 1.355174 
1 1 1    3    3    6 o   50.353   1.1926  340.512   16.130  332.681   19.479  357.600   28.772   49.770   1.4571   51.598   2.0761 -1.828320 2.536387 
1 1 1    3    3    7 o  149.049   1.4079  2983.64   56.361  2944.65   75.037  3034.12   85.373  148.068   1.8868  150.298   2.1148 -2.230484 2.834168 
1 1 1    3    3    8 o  175.918   1.5482  4156.37   73.155  4138.92   94.258  4182.80  116.010  175.544   1.9991  176.467   2.4476 -0.9225616 3.160259 
1 1 1    3    3    9 o  304.763   2.5938 12475.86  212.319 12368.21  272.700 12641.56  338.332  303.427   3.3461  306.737   4.1066 -3.310089 5.297243 
1 1 1    3    3   10 o  530.334   4.4623 37790.48  635.620 37752.93  1004.45 37815.56  820.884  529.868   7.0578  530.420   5.7620 -0.5520630 9.111135 
1 1 1    3    3   11 o  386.499   3.2686 20066.27  339.311 19601.93  528.258 20392.39  442.712  381.930   5.1496  389.594   4.2307 -7.663849 6.664624 
1 1 1    3    3   12 o  545.738   4.1904 40012.74  614.234 40027.68  868.614 39997.80  868.702  545.734   5.9259  545.530   5.9287 0.2039185 8.382465 
1 1 1    3    3   13 o  213.514   1.6917  6122.67   97.013  6108.81  136.911  6136.65  137.485  213.266   2.3901  213.751   2.3947 -0.4853210 3.383418 
1 1 1    3    3   14 o  157.680   1.2881  3339.09   54.552  3332.63   77.073  3345.58   77.225  157.524   1.8217  157.830   1.8217 -0.3058929 2.576230 
1 1 1    3    3   15 o  785.444   6.5911 82928.61  1390.48 81617.51  2175.35 83834.35  1808.07  778.661   10.401  789.470   8.5268 -10.80914 13.44970 
1 1 1    3    3   16 o  437.471   3.3705 25708.38  396.032 25930.02  563.404 25491.90  556.800  439.294   4.7750  435.568   4.7594 3.726257 6.741839 
1 1 1    3    3   17 o  295.727   2.5233 11746.69  200.428 11672.38  257.681 11860.50  318.899  294.774   3.2546  297.120   3.9960 -2.345490 5.153733 
1 1 1    3    3   18 o  326.881   3.3239 14354.40  291.834 14163.85  342.194 14862.66  558.872  324.683   3.9239  332.478   6.2583 -7.795105 7.386716 
1 1 1    3    3   19 o  267.851   2.5704  9637.28  184.924  9451.67  298.183  9753.29  235.731  265.207   4.1861  269.439   3.2573 -4.232361 5.304102 
1 1 1    3    3   20 o  371.543   2.8743 18545.58  286.832 18882.63  410.284 18223.36  401.154  374.833   4.0753  368.233   4.0560 6.600250 5.749673 
1 1 1    3    3   21 o  112.913   1.2119  1712.31   36.755  1682.52   51.459  1743.34   52.515  111.922   1.7118  113.926   1.7162 -2.004738 2.423968 
1 1 1    3    3   22 o  322.908   2.5106 14008.89  217.742 14058.71  308.422 13959.39  307.448  323.413   3.5505  322.269   3.5519 1.144470 5.022192 
1 1 1    3    3   23 o  141.014   1.1330  2670.72   42.913  2643.48   58.098  2703.42   63.658  140.287   1.5419  141.866   1.6706 -1.579391 2.273416 
1 1 1    3    3   24 o  128.468   1.5501  2216.93   53.488  2283.25   94.165  2185.34   64.991  130.344   2.6897  127.542   1.8972 2.802658 3.291471 
1 1 1    3    3   25 o  405.716   3.4352 22129.47  374.336 22158.86  529.834 22100.18  528.951  405.767   4.8615  405.230   4.8598 0.5373230 6.874024 
1 1 1    3    3   26 o  203.508   1.6271  5563.33   88.940  5573.52  125.889  5553.18  125.671  203.669   2.3013  203.298   2.3015 0.3719788 3.254655 
1 1 1    3    3   27 o  139.715   1.2871  2621.92   48.302  2648.81   68.561  2595.42   68.060  140.418   1.8179  138.996   1.8230 1.422546 2.574505 
1 1 1    3    3   28 o  259.039   2.3515  9016.64  163.608  8882.46  242.992  9127.92  221.282  257.011   3.5201  260.571   3.1618 -3.559906 4.731541 
1 1 1    3    3   29 o  164.322   1.3499  3627.00   59.578  3588.99   83.745  3665.95   84.778  163.442   1.9077  165.185   1.9108 -1.743088 2.700070 
1 1 1    3    3   30 o  179.253   1.5935  4316.52   76.718  4374.58  109.454  4260.46  107.563  180.424   2.2586  178.056   2.2491 2.368393 3.187477 
1 1 1    3    3   31 o   88.346   1.2022  1048.40   28.527  1067.00   49.400  1039.10   34.942   89.108   2.0640   87.948   1.4792 1.159485 2.539353 
1 1 1    3    3   32 o  133.298   1.1389  2386.74   40.774  2358.99   57.355  2415.09   57.978  132.507   1.6115  134.073   1.6100 -1.566330 2.277974 
1 1 1    3    3   33 o  145.012   1.7237  2825.67   67.135  2856.86   95.492  2795.19   94.405  145.768   2.4390  144.186   2.4377 1.581665 3.448342 
1 1 1    3    3   34 o  230.255   2.1135  7127.23  130.707  7019.00  173.706  7268.50  198.452  228.408   2.8315  232.377   3.1796 -3.968948 4.257580 
1 1 1    3    3   35 o   83.990   0.8829  947.571   19.917  979.814   30.053  922.319   26.595   85.397   1.3103   82.856   1.1951 2.540184 1.773393 
1 1 1    3    3   36 o  168.122   1.5964  3798.97   72.086  3842.92  108.730  3764.49   96.289  169.005   2.3953  167.302   2.1428 1.702713 3.213889 
1 1 1    3    3   37 o   99.497   0.9326  1329.91   24.922  1325.01   35.171  1334.86   35.320   99.297   1.3187   99.665   1.3194 -0.3684921 1.865473 
1 1 1    3    3   38 o   28.176   0.8629  106.652   6.5306  108.956   9.1893  104.302   9.2827   28.475   1.2015   27.859   1.2406 0.6154308 1.727035 
1 1 1    3    3   39 o  115.448   1.2654  1791.36   39.237  1777.67   55.342  1805.21   55.638  114.960   1.7923  115.848   1.7881 -0.8876266 2.531753 
1 1 1    3    3   40 o   47.445   0.7463  302.399   9.5104  309.482   13.466  295.350   13.433   47.991   1.0447   46.882   1.0668 1.109077 1.493165 
1 1 1    3    3   41 o   96.356   0.9205  1247.50   23.823  1249.24   33.714  1245.75   33.667   96.398   1.3021   96.264   1.3021 0.1346817 1.841453 
1 1 1    3    3   42 o   29.631   1.0177  117.992   8.0998  130.020   11.151  104.560   11.785   31.096   1.3351   27.834   1.5828 3.262009 2.070731 
1 1 1    3    3   43 o   32.741   0.8613  144.044   7.5745  146.179   11.023  142.133   10.426   32.972   1.2447   32.514   1.1938 0.4579048 1.724653 
1 1 1    3    3   44 o   44.017   0.7836  260.338   9.2638  259.396   13.194  261.254   13.009   43.924   1.1184   44.082   1.0988 -0.1578560 1.567830 
1 1 1    3    3   45 o   85.200   0.8758  975.648   20.042  987.166   28.490  964.364   28.199   85.667   1.2382   84.671   1.2400 0.9953690 1.752329 
1 1 1    3    3   46 o   48.670   0.8450  318.392   11.047  316.611   15.526  320.219   15.721   48.513   1.1915   48.788   1.1997 -0.2750626 1.690823 
1 1 1    3    3   47 o   22.398   1.2306   67.712   7.3748   73.542   10.620   62.283   10.249   23.294   1.7094   21.414   1.7985 1.879074 2.481272 
1 1 1    3    3   48 o   21.352   1.1191   61.506   6.3957   61.108   9.0876   61.897   9.0026   21.232   1.6054   21.372   1.5795 -0.1404915 2.252157 
1 1 1    3    3   49 o   67.082   0.9090  605.106   16.378  596.314   22.930  614.262   23.400   66.551   1.2828   67.544   1.2898 -0.9931564 1.819146 
1 1 1    3    3   50 f   43.885   0.8337  258.937   9.8269  265.673   13.804  252.017   13.992   44.428   1.1568   43.267   1.2040 1.160885 1.669712 
1 1 1    3    3   51 o   56.176   0.8942  424.426   13.492  416.455   18.997  432.540   19.166   55.604   1.2720   56.669   1.2592 -1.065327 1.789865 
1 1 1    3    3   52 o   8.1369   2.6180   8.7906   6.4979   11.595   9.4656   6.2914   8.9361   9.4596   3.1664   7.9847   3.0278 1.474887 4.381067 
1 1 1    3    3   53 o   25.286   1.3882   86.501   9.3922   77.236   11.594  104.190   16.020   23.823   1.8258   27.622   2.1769 -3.798998 2.841199 
1 1 1    3    3   54 o   41.656   0.8940  233.481   10.003  232.888   14.141  234.074   14.151   41.562   1.2668   41.668   1.2644 -0.1060524 1.789820 
1 1 1    3    3   55 o   51.176   0.8857  352.418   12.175  344.525   17.664  359.561   16.803   50.542   1.3012   51.648   1.2113 -1.105782 1.777737 
1 1 1    3    3   56 o   47.762   0.8816  306.972   11.309  316.417   16.051  297.660   15.937   48.445   1.2335   46.983   1.2629 1.462223 1.765371 
1 1 1    3    3   57 o   33.134   1.1726  147.977   10.436  148.525   14.692  147.418   14.826   33.136   1.6508   32.966   1.6800 0.1697884 2.355323 
1 1 1    3    3   58 o   24.505   1.4177   81.381   9.2912   86.213   14.011   77.589   12.413   25.092   2.0983   23.826   1.9570 1.265945 2.869229 
1 1 1    3    3   59 o   21.405   1.4206   62.213   8.1207   69.282   11.469   55.104   11.500   22.497   1.9163   19.986   2.1776 2.510925 2.900703 
1 1 1    3    3   60 o   54.028   0.9401  393.403   13.642  388.496   19.901  397.752   18.737   53.580   1.3829   54.243   1.2861 -0.6624260 1.888480 
1 1 1    3    3   61 o   41.149   0.9763  228.433   10.791  230.865   15.095  225.891   15.431   41.279   1.3615   40.819   1.4075 0.4593697 1.958200 
1 1 1    3    3   62 o   37.594   1.0040  190.885   10.137  196.574   15.084  186.200   13.690   38.024   1.4770   37.037   1.3762 0.9870949 2.018751 
1 1 1    3    3   63 o   20.296   1.5256   56.480   8.2556   55.193   11.414   57.891   11.955   19.854   2.1762   20.319   2.2270 -0.4654236 3.113722 
1 1 1    4    0  -64 o   6.8989   3.7969   10.782   10.183   10.782   10.183   10.782   10.183   6.8989   3.7969   6.8989   3.7969 0.000000 0.000000 
1 1 1    4    0  -63 o   20.822   2.0871   61.998   11.404   61.998   11.404   61.998   11.404   20.822   2.0871   20.822   2.0871 -0.000000 0.000000 
1 1 1    4    0  -62 o   15.555   2.8367   37.028   10.685   37.028   10.685   37.028   10.685   15.555   2.8367   15.555   2.8367 -0.000000 0.000000 
1 1 1    4    0  -61 f   65.652   1.3751  585.769   24.224  585.769   24.224  585.769   24.224   65.652   1.3751   65.652   1.3751 0.000000 0.000000 
1 1 1    4    0  -60 o   51.723   1.7405  365.431   24.118  365.431   24.118  365.431   24.118   51.723   1.7405   51.723   1.7405 0.000000 0.000000 
1 1 1    4    0  -59 o   40.625   1.5600  224.619   16.965  224.619   16.965  224.619   16.965   40.625   1.5600   40.625   1.5600 -0.000000 0.000000 
1 1 1    4    0  -58 o   23.794   1.7964   78.085   11.330   78.085   11.330   78.085   11.330   23.794   1.7964   23.794   1.7964 -0.000000 0.000000 
1 1 1    4    0  -57 o   29.017   1.7707  115.331   13.682  115.331   13.682  115.331   13.682   29.017   1.7707   29.017   1.7707 -0.000000 0.000000 
1 1 1    4    0  -56 o   8.1616   3.8366   13.546   9.4547   13.546   9.4547   13.546   9.4547   8.1616   3.8366   8.1616   3.8366 0.000000 0.000000 
1 1 1    4    0  -55 o   74.226   1.2560  743.559   25.025  743.559   25.025  743.559   25.025   74.226   1.2560   74.226   1.2560 -0.000000 0.000000 
1 1 1    4    0  -54 o   32.517   1.5830  143.860   13.751  143.860   13.751  143.860   13.751   32.517   1.5830   32.517   1.5830 -0.000000 0.000000 
1 1 1    4    0  -53 o   5.1308   3.1627   2.9119   8.5176   2.9119   8.5176   2.9119   8.5176   5.1308   3.1627   5.1308   3.1627 0.000000 0.000000 
1 1 1    4    0  -52 o   3.9587   2.6886  -4.5203   8.6306  -4.5203   8.6306  -4.5203   8.6306   3.9587   2.6886   3.9587   2.6886 0.000000 0.000000 
1 1 1    4    0  -51 o   47.357   1.5332  303.312   19.456  303.312   19.456  303.312   19.456   47.357   1.5332   47.357   1.5332 -0.000000 0.000000 
1 1 1    4    0  -50 o   74.331   1.3024  744.548   25.985  744.548   25.985  744.548   25.985   74.331   1.3024   74.331   1.3024 -0.000000 0.000000 
1 1 1    4    0  -49 o   7.2065   3.4872   10.409   7.8686   10.409   7.8686   10.409   7.8686   7.2065   3.4872   7.2065   3.4872 -0.000000 0.000000 
1 1 1    4    0  -48 o  105.060   1.4013  1486.68   39.527  1486.68   39.527  1486.68   39.527  105.060   1.4013  105.060   1.4013 0.000000 0.000000 
1 1 1    4    0  -47 o   9.8291   3.7539   17.795   9.3433   17.795   9.3433   17.795   9.3433   9.8291   3.7539   9.8291   3.7539 0.000000 0.000000 
1 1 1    4    0  -46 o   76.626   1.1870  790.156   24.416  790.156   24.416  790.156   24.416   76.626   1.1870   76.626   1.1870 -0.000000 0.000000 
1 1 1    4    0  -45 o   52.900   1.1958  376.829   16.971  376.829   16.971  376.829   16.971   52.900   1.1958   52.900   1.1958 0.000000 0.000000 
1 1 1    4    0  -44 o   20.528   1.6416   57.771   8.9180   57.771   8.9180   57.771   8.9180   20.528   1.6416   20.528   1.6416 0.000000 0.000000 
1 1 1    4    0  -43 o   20.577   1.5173   57.858   8.2808   57.858   8.2808   57.858   8.2808   20.577   1.5173   20.577   1.5173 0.000000 0.000000 
1 1 1    4    0  -42 o  126.377   1.5648  2148.46   53.097  2148.46   53.097  2148.46   53.097  126.377   1.5648  126.377   1.5648 -0.000000 0.000000 
1 1 1    4    0  -41 o   23.783   1.8444   77.434   11.619   77.434   11.619   77.434   11.619   23.783   1.8444   23.783   1.8444 0.000000 0.000000 
1 1 1    4    0  -40 o   76.914   1.1623  795.420   23.999  795.420   23.999  795.420   23.999   76.914   1.1623   76.914   1.1623 -0.000000 0.000000 
1 1 1    4    0  -39 o   6.8780   3.3657   9.3776   7.3627   9.3776   7.3627   9.3776   7.3627   6.8780   3.3657   6.8780   3.3657 -0.000000 0.000000 
1 1 1    4    0  -38 o   75.865   1.1483  773.771   23.387  773.771   23.387  773.771   23.387   75.865   1.1483   75.865   1.1483 -0.000000 0.000000 
1 1 1    4    0  -37 f  130.083   1.5894  2274.95   55.514  2274.95   55.514  2274.95   55.514  130.083   1.5894  130.083   1.5894 -0.000000 0.000000 
1 1 1    4    0  -36 o  179.934   2.0743  4353.56  100.217  4353.56  100.217  4353.56  100.217  179.934   2.0743  179.934   2.0743 -0.000000 0.000000 
1 1 1    4    0  -35 o  177.796   2.0526  4249.98   97.992  4249.98   97.992  4249.98   97.992  177.796   2.0526  177.796   2.0526 0.000000 0.000000 
1 1 1    4    0  -34 o   95.741   1.4149  1232.15   36.365  1232.15   36.365  1232.15   36.365   95.741   1.4149   95.741   1.4149 0.000000 0.000000 
1 1 1    4    0  -33 o   33.836   1.2398  154.398   11.233  154.398   11.233  154.398   11.233   33.836   1.2398   33.836   1.2398 -0.000000 0.000000 
1 1 1    4    0  -32 o  438.418   5.8807 25916.37  692.208 25916.37  692.208 25916.37  692.208  438.418   5.8807  438.418   5.8807 -0.000000 0.000000 
1 1 1    4    0  -31 f   28.617   1.8040  111.314   13.740  111.314   13.740  111.314   13.740   28.617   1.8040   28.617   1.8040 0.000000 0.000000 
1 1 1    4    0  -30 o  110.086   1.3936  1628.53   41.192  1628.53   41.192  1628.53   41.192  110.086   1.3936  110.086   1.3936 0.000000 0.000000 
1 1 1    4    0  -29 f   12.388   2.8193   23.549   8.1763   23.549   8.1763   23.549   8.1763   12.388   2.8193   12.388   2.8193 -0.000000 0.000000 
1 1 1    4    0  -28 o  151.469   1.7805  3082.98   72.412  3082.98   72.412  3082.98   72.412  151.469   1.7805  151.469   1.7805 -0.000000 0.000000 
1 1 1    4    0  -27 o  206.907   3.3150  5757.27  184.121  5757.27  184.121  5757.27  184.121  206.907   3.3150  206.907   3.3150 0.000000 0.000000 
1 1 1    4    0  -26 o   61.907   1.1172  515.220   18.563  515.220   18.563  515.220   18.563   61.907   1.1172   61.907   1.1172 0.000000 0.000000 
1 1 1    4    0  -25 f   87.736   1.4662  1034.72   34.528  1034.72   34.528  1034.72   34.528   87.736   1.4662   87.736   1.4662 0.000000 0.000000 
1 1 1    4    0  -24 o   33.267   1.2354  149.251   11.004  149.251   11.004  149.251   11.004   33.267   1.2354   33.267   1.2354 0.000000 0.000000 
1 1 1    4    0  -23 o  171.909   2.8045  3973.22  129.415  3973.22  129.415  3973.22  129.415  171.909   2.8045  171.909   2.8045 -0.000000 0.000000 
1 1 1    4    0  -22 o  121.101   1.6203  1970.73   52.683  1970.73   52.683  1970.73   52.683  121.101   1.6203  121.101   1.6203 0.000000 0.000000 
1 1 1    4    0  -21 o   78.940   1.2222  837.492   25.900  837.492   25.900  837.492   25.900   78.940   1.2222   78.940   1.2222 -0.000000 0.000000 
1 1 1    4    0  -20 o  105.189   2.3013  1488.25   64.947  1488.25   64.947  1488.25   64.947  105.189   2.3013  105.189   2.3013 0.000000 0.000000 
1 1 1    4    0  -19 o  164.263   2.3263  3626.13  102.588  3626.13  102.588  3626.13  102.588  164.263   2.3263  164.263   2.3263 0.000000 0.000000 
1 1 1    4    0  -18 o  337.214   4.0555 15281.40  367.197 15281.40  367.197 15281.40  367.197  337.214   4.0555  337.214   4.0555 0.000000 0.000000 
1 1 1    4    0  -17 o  402.414   7.6218 21786.59  823.131 21786.59  823.131 21786.59  823.131  402.414   7.6218  402.414   7.6218 0.000000 0.000000 
1 1 1    4    0  -16 o   24.473   1.2847   81.098   8.3913   81.098   8.3913   81.098   8.3913   24.473   1.2847   24.473   1.2847 0.000000 0.000000 
1 1 1    4    0  -15 o  281.207   3.8066 10627.27  287.396 10627.27  287.396 10627.27  287.396  281.207   3.8066  281.207   3.8066 0.000000 0.000000 
1 1 1    4    0  -14 o  308.198   3.7147 12763.70  307.403 12763.70  307.403 12763.70  307.403  308.198   3.7147  308.198   3.7147 0.000000 0.000000 
1 1 1    4    0  -13 o  926.470   10.038 115444.50  2497.20 115444.50  2497.20 115444.50  2497.20  926.470   10.038  926.470   10.038 0.000000 0.000000 
1 1 1    4    0  -12 o  284.732   3.1402 10892.93  240.088 10892.93  240.088 10892.93  240.088  284.732   3.1402  284.732   3.1402 -0.000000 0.000000 
1 1 1    4    0  -11 o  448.089   5.9793 26991.54  719.333 26991.54  719.333 26991.54  719.333  448.089   5.9793  448.089   5.9793 -0.000000 0.000000 
1 1 1    4    0  -10 o  212.236   2.9111  6053.39  165.878  6053.39  165.878  6053.39  165.878  212.236   2.9111  212.236   2.9111 0.000000 0.000000 
1 1 1    4    0   -9 o  113.190   1.3749  1721.40   41.784  1721.40   41.784  1721.40   41.784  113.190   1.3749  113.190   1.3749 0.000000 0.000000 
1 1 1    4    0   -8 o  241.065   2.9336  7808.89  189.883  7808.89  189.883  7808.89  189.883  241.065   2.9336  241.065   2.9336 0.000000 0.000000 
1 1 1    4    0   -7 o  291.006   3.5106 11380.49  274.309 11380.49  274.309 11380.49  274.309  291.006   3.5106  291.006   3.5106 0.000000 0.000000 
1 1 1    4    0   -6 o  329.962   3.6185 14630.75  320.606 14630.75  320.606 14630.75  320.606  329.962   3.6185  329.962   3.6185 -0.000000 0.000000 
1 1 1    4    0   -5 o  419.677   5.6077 23682.61  631.854 23682.61  631.854 23682.61  631.854  419.677   5.6077  419.677   5.6077 0.000000 0.000000 
1 1 1    4    0   -4 o  421.861   5.6350 23930.54  638.240 23930.54  638.240 23930.54  638.240  421.861   5.6350  421.861   5.6350 0.000000 0.000000 
1 1 1    4    0   -3 o  848.768   13.070 97217.27  2978.03 97217.27  2978.03 97217.27  2978.03  848.768   13.070  848.768   13.070 -0.000000 0.000000 
1 1 1    4    0   -2 o  526.198   5.7211 37227.68  808.360 37227.68  808.360 37227.68  808.360  526.198   5.7211  526.198   5.7211 -0.000000 0.000000 
1 1 1    4    0   -1 o  702.167   9.3405 66392.23  1760.87 66392.23  1760.87 66392.23  1760.87  702.167   9.3405  702.167   9.3405 0.000000 0.000000 
1 1 1    4    0    0 o  711.865   8.4650 68205.40  1618.00 68205.40  1618.00 68205.40  1618.00  711.865   8.4650  711.865   8.4650 -0.000000 0.000000 
1 1 1    4    0    1 o  230.291   2.5607  7126.04  158.344  7126.04  158.344  7126.04  158.344  230.291   2.5607  230.291   2.5607 0.000000 0.000000 
1 1 1    4    0    2 o  421.947   4.6002 23930.90  521.207 23930.90  521.207 23930.90  521.207  421.947   4.6002  421.947   4.6002 0.000000 0.000000 
1 1 1    4    0    3 o  303.931   3.3407 12413.27  272.636 12413.27  272.636 12413.27  272.636  303.931   3.3407  303.931   3.3407 0.000000 0.000000 
1 1 1    4    0    4 o  473.069   5.1481 30083.84  653.961 30083.84  653.961 30083.84  653.961  473.069   5.1481  473.069   5.1481 -0.000000 0.000000 
1 1 1    4    0    5 o  486.737   5.2965 31847.70  692.250 31847.70  692.250 31847.70  692.250  486.737   5.2965  486.737   5.2965 0.000000 0.000000 
1 1 1    4    0    6 o   63.878   1.6163  549.064   27.691  549.064   27.691  549.064   27.691   63.878   1.6163   63.878   1.6163 0.000000 0.000000 
1 1 1    4    0    7 o  110.727   1.4772  1647.46   43.915  1647.46   43.915  1647.46   43.915  110.727   1.4772  110.727   1.4772 0.000000 0.000000 
1 1 1    4    0    8 o  314.391   3.7828 13283.14  319.322 13283.14  319.322 13283.14  319.322  314.391   3.7828  314.391   3.7828 0.000000 0.000000 
1 1 1    4    0    9 o  490.895   5.3395 32388.76  703.821 32388.76  703.821 32388.76  703.821  490.895   5.3395  490.895   5.3395 -0.000000 0.000000 
1 1 1    4    0   10 o  363.502   4.3555 17757.60  425.106 17757.60  425.106 17757.60  425.106  363.502   4.3555  363.502   4.3555 0.000000 0.000000 
1 1 1    4    0   11 o  219.291   3.4688  6463.94  204.195  6463.94  204.195  6463.94  204.195  219.291   3.4688  219.291   3.4688 0.000000 0.000000 
1 1 1    4    0   12 o  374.721   4.0960 18867.81  412.138 18867.81  412.138 18867.81  412.138  374.721   4.0960  374.721   4.0960 -0.000000 0.000000 
1 1 1    4    0   13 o  485.337   5.2809 31654.83  688.221 31654.83  688.221 31654.83  688.221  485.337   5.2809  485.337   5.2809 0.000000 0.000000 
1 1 1    4    0   14 o  151.429   2.4899  3082.21  101.211  3082.21  101.211  3082.21  101.211  151.429   2.4899  151.429   2.4899 0.000000 0.000000 
1 1 1    4    0   15 o  891.258   11.837 106898.50  2832.45 106898.50  2832.45 106898.50  2832.45  891.258   11.837  891.258   11.837 -0.000000 0.000000 
1 1 1    4    0   16 o  763.028   9.0620 78295.75  1856.60 78295.75  1856.60 78295.75  1856.60  763.028   9.0620  763.028   9.0620 -0.000000 0.000000 
1 1 1    4    0   17 o  292.419   3.2256 11489.14  253.271 11489.14  253.271 11489.14  253.271  292.419   3.2256  292.419   3.2256 -0.000000 0.000000 
1 1 1    4    0   18 o  581.198   6.3144 45405.53  985.439 45405.53  985.439 45405.53  985.439  581.198   6.3144  581.198   6.3144 -0.000000 0.000000 
1 1 1    4    0   19 o  639.415   6.9447 54971.42  1192.38 54971.42  1192.38 54971.42  1192.38  639.415   6.9447  639.415   6.9447 -0.000000 0.000000 
1 1 1    4    0   20 o   53.842   1.1744  389.888   16.966  389.888   16.966  389.888   16.966   53.842   1.1744   53.842   1.1744 -0.000000 0.000000 
1 1 1    4    0   21 o  392.530   5.2625 20718.84  554.606 20718.84  554.606 20718.84  554.606  392.530   5.2625  392.530   5.2625 -0.000000 0.000000 
1 1 1    4    0   22 o  420.411   4.5921 23761.32  518.392 23761.32  518.392 23761.32  518.392  420.411   4.5921  420.411   4.5921 0.000000 0.000000 
1 1 1    4    0   23 o  317.842   4.2867 13584.43  365.806 13584.43  365.806 13584.43  365.806  317.842   4.2867  317.842   4.2867 -0.000000 0.000000 
1 1 1    4    0   24 o   73.693   1.3325  730.091   26.355  730.091   26.355  730.091   26.355   73.693   1.3325   73.693   1.3325 -0.000000 0.000000 
1 1 1    4    0   25 f   74.812   1.1896  752.252   23.891  752.252   23.891  752.252   23.891   74.812   1.1896   74.812   1.1896 0.000000 0.000000 
1 1 1    4    0   26 o  230.850   2.5850  7162.09  160.235  7162.09  160.235  7162.09  160.235  230.850   2.5850  230.850   2.5850 0.000000 0.000000 
1 1 1    4    0   27 o  194.525   2.0468  5084.63  106.915  5084.63  106.915  5084.63  106.915  194.525   2.0468  194.525   2.0468 0.000000 0.000000 
1 1 1    4    0   28 o   63.739   1.0361  546.062   17.727  546.062   17.727  546.062   17.727   63.739   1.0361   63.739   1.0361 -0.000000 0.000000 
1 1 1    4    0   29 f  318.350   3.5081 13626.61  299.879 13626.61  299.879 13626.61  299.879  318.350   3.5081  318.350   3.5081 0.000000 0.000000 
1 1 1    4    0   30 o  224.693   2.5253  6786.00  152.362  6786.00  152.362  6786.00  152.362  224.693   2.5253  224.693   2.5253 0.000000 0.000000 
1 1 1    4    0   32 o  146.075   1.9044  2868.08   74.688  2868.08   74.688  2868.08   74.688  146.075   1.9044  146.075   1.9044 -0.000000 0.000000 
1 1 1    4    0   33 o  175.845   2.2267  4157.06  105.131  4157.06  105.131  4157.06  105.131  175.845   2.2267  175.845   2.2267 -0.000000 0.000000 
1 1 1    4    0   34 o   35.038   1.0839  165.366   10.178  165.366   10.178  165.366   10.178   35.038   1.0839   35.038   1.0839 -0.000000 0.000000 
1 1 1    4    0   35 o   48.837   1.1544  320.911   15.123  320.911   15.123  320.911   15.123   48.837   1.1544   48.837   1.1544 -0.000000 0.000000 
1 1 1    4    0   36 o   36.569   1.3891  180.441   13.600  180.441   13.600  180.441   13.600   36.569   1.3891   36.569   1.3891 0.000000 0.000000 
1 1 1    4    0   37 f   80.357   1.1769  868.044   25.388  868.044   25.388  868.044   25.388   80.357   1.1769   80.357   1.1769 0.000000 0.000000 
1 1 1    4    0   38 o  132.927   1.6159  2375.84   57.675  2375.84   57.675  2375.84   57.675  132.927   1.6159  132.927   1.6159 -0.000000 0.000000 
1 1 1    4    0   39 o   13.524   2.4843   26.950   8.1251   26.950   8.1251   26.950   8.1251   13.524   2.4843   13.524   2.4843 -0.000000 0.000000 
1 1 1    4    0   40 o   98.077   1.3138  1293.38   34.594  1293.38   34.594  1293.38   34.594   98.077   1.3138   98.077   1.3138 0.000000 0.000000 
1 1 1    4    0   41 o   90.938   1.5409  1112.69   37.611  1112.69   37.611  1112.69   37.611   90.938   1.5409   90.938   1.5409 0.000000 0.000000 
1 1 1    4    0   42 o   9.1282   3.3178   14.933   7.4802   14.933   7.4802   14.933   7.4802   9.1282   3.3178   9.1282   3.3178 0.000000 0.000000 
1 1 1    4    0   43 o   43.136   1.1648  250.624   13.473  250.624   13.473  250.624   13.473   43.136   1.1648   43.136   1.1648 0.000000 0.000000 
1 1 1    4    0   44 o   37.953   1.2727  194.303   12.941  194.303   12.941  194.303   12.941   37.953   1.2727   37.953   1.2727 -0.000000 0.000000 
1 1 1    4    0   45 o   37.770   1.3043  192.536   13.196  192.536   13.196  192.536   13.196   37.770   1.3043   37.770   1.3043 0.000000 0.000000 
1 1 1    4    0   46 o   51.247   1.1071  353.599   15.222  353.599   15.222  353.599   15.222   51.247   1.1071   51.247   1.1071 0.000000 0.000000 
1 1 1    4    0   47 o   48.863   1.1982  321.734   15.704  321.734   15.704  321.734   15.704   48.863   1.1982   48.863   1.1982 0.000000 0.000000 
1 1 1    4    0   48 o   51.391   1.3254  356.154   18.267  356.154   18.267  356.154   18.267   51.391   1.3254   51.391   1.3254 -0.000000 0.000000 
1 1 1    4    0   49 o   42.682   1.1678  245.647   13.365  245.647   13.365  245.647   13.365   42.682   1.1678   42.682   1.1678 -0.000000 0.000000 
1 1 1    4    0   50 o   32.729   1.4148  145.090   12.385  145.090   12.385  145.090   12.385   32.729   1.4148   32.729   1.4148 -0.000000 0.000000 
1 1 1    4    0   51 o   59.758   1.1617  481.189   18.630  481.189   18.630  481.189   18.630   59.758   1.1617   59.758   1.1617 -0.000000 0.000000 
1 1 1    4    0   52 o   26.768   1.5062   97.549   10.751   97.549   10.751   97.549   10.751   26.768   1.5062   26.768   1.5062 0.000000 0.000000 
1 1 1    4    0   53 o   33.745   1.4147  154.387   12.771  154.387   12.771  154.387   12.771   33.745   1.4147   33.745   1.4147 0.000000 0.000000 
1 1 1    4    0   54 o   5.9401   3.4714   5.9460   9.2298   5.9460   9.2298   5.9460   9.2298   5.9401   3.4714   5.9401   3.4714 0.000000 0.000000 
1 1 1    4    0   55 o   11.363   4.7541   25.468   14.543   25.468   14.543   25.468   14.543   11.363   4.7541   11.363   4.7541 0.000000 0.000000 
1 1 1    4    0   56 o   7.9038   4.0599   12.867   10.975   12.867   10.975   12.867   10.975   7.9038   4.0599   7.9038   4.0599 -0.000000 0.000000 
1 1 1    4    0   57 o   6.9223   3.7941   9.4841   10.120   9.4841   10.120   9.4841   10.120   6.9223   3.7941   6.9223   3.7941 -0.000000 0.000000 
1 1 1    4    0   58 o   3.6511   2.6087 -16.9451   11.588 -16.9451   11.588 -16.9451   11.588   3.6511   2.6087   3.6511   2.6087 -0.000000 0.000000 
1 1 1    4    0   59 o   36.384   1.4529  180.024   14.147  180.024   14.147  180.024   14.147   36.384   1.4529   36.384   1.4529 -0.000000 0.000000 
1 1 1    4    0   60 o   58.293   1.3585  460.922   21.244  460.922   21.244  460.922   21.244   58.293   1.3585   58.293   1.3585 -0.000000 0.000000 
1 1 1    4    0   61 f   11.111   3.9877   23.177   10.884   23.177   10.884   23.177   10.884   11.111   3.9877   11.111   3.9877 -0.000000 0.000000 
1 1 1    4    0   62 o   53.437   1.4035  389.488   20.113  389.488   20.113  389.488   20.113   53.437   1.4035   53.437   1.4035 0.000000 0.000000 
1 1 1    4    0   63 o   33.313   1.5407  152.938   13.719  152.938   13.719  152.938   13.719   33.313   1.5407   33.313   1.5407 -0.000000 0.000000 
1 1 1    4    0   64 o   8.9482   4.4074   18.844   12.659   18.844   12.659   18.844   12.659   8.9482   4.4074   8.9482   4.4074 0.000000 0.000000 
1 1 1    4    1  -64 o   12.655   2.2469   22.925   7.3574   30.670   10.319   14.917   10.493   14.494   2.7513   10.186   3.3308 4.307441 4.320160 
1 1 1    4    1  -63 o   16.720   1.7485   38.683   7.7364   41.512   10.940   35.854   10.941   17.096   2.4528   15.786   2.6762 1.310528 3.630170 
1 1 1    4    1  -62 o   47.484   0.9734  304.395   12.414  308.426   19.040  301.414   16.373   47.631   1.4883   47.157   1.2927 0.4742279 1.971273 
1 1 1    4    1  -61 o   36.602   1.2794  181.294   12.578  187.612   16.852  173.347   18.899   37.130   1.6898   35.549   1.9873 1.581123 2.608544 
1 1 1    4    1  -60 o   50.161   1.0218  339.282   13.767  334.529   19.996  343.564   18.981   49.693   1.4982   50.387   1.4025 -0.6936226 2.052230 
1 1 1    4    1  -59 o   36.656   1.0153  181.054   9.9963  180.858   14.273  181.243   14.005   36.572   1.4530   36.615   1.4240 -0.4382706E-01 2.034486 
1 1 1    4    1  -58 o   38.699   0.9733  201.669   10.117  214.439   14.291  188.840   14.324   39.858   1.3349   37.390   1.4263 2.468113 1.953568 
1 1 1    4    1  -57 o   42.693   0.9223  245.325   10.576  247.493   14.989  243.176   14.923   42.833   1.3029   42.457   1.3086 0.3760490 1.846630 
1 1 1    4    1  -56 o   9.4241   2.6040   12.504   6.8104   15.587   9.4780   9.2130   9.7924   10.556   3.1235   8.8819   3.2052 1.673971 4.475399 
1 1 1    4    1  -55 o   33.894   0.9813  154.655   8.9336  170.794   12.786  139.259   12.488   35.582   1.3378   32.118   1.4476 3.464687 1.971114 
1 1 1    4    1  -54 o   12.149   2.2629   20.691   7.1124   23.275   9.9402   17.981   10.181   12.784   2.9543   11.285   3.2076 1.499150 4.360772 
1 1 1    4    1  -53 o   9.1524   2.9257   11.243   8.1252   8.6791   11.556   13.750   11.426   9.1606   3.4504   10.301   3.4787 -1.140546 4.899701 
1 1 1    4    1  -52 o   76.944   0.9155  796.412   18.921  806.979   25.641  783.779   28.035   77.399   1.2334   76.252   1.3689 1.147568 1.842569 
1 1 1    4    1  -51 f   39.086   0.9344  205.494   9.8092  191.567   13.766  219.858   13.981   37.706   1.3593   40.401   1.2884 -2.695175 1.872890 
1 1 1    4    1  -50 o   44.167   0.8692  262.300   10.311  254.536   13.762  272.241   15.571   43.486   1.1782   44.963   1.2893 -1.476852 1.746588 
1 1 1    4    1  -49 o   55.756   0.8000  417.894   11.981  418.026   16.924  417.761   16.964   55.738   1.1305   55.720   1.1335 0.1796722E-01 1.600882 
1 1 1    4    1  -48 o   66.800   0.8588  599.883   15.408  620.359   23.361  584.116   20.500   67.886   1.2812   65.887   1.1584 1.998810 1.727215 
1 1 1    4    1  -47 o   70.633   0.8676  670.673   16.461  673.393   22.211  667.360   24.517   70.748   1.1689   70.416   1.2963 0.3321457 1.745460 
1 1 1    4    1  -46 o   28.231   0.9232  107.140   7.0003  103.065   9.7866  111.408   10.017   27.675   1.3166   28.774   1.2962 -1.099209 1.847558 
1 1 1    4    1  -45 o   42.411   0.8392  241.729   9.5590  236.298   13.398  247.359   13.642   41.916   1.1901   42.886   1.1843 -0.9701424 1.678948 
1 1 1    4    1  -44 f   35.926   0.8674  173.450   8.3704  180.050   12.126  167.442   11.569   36.591   1.2338   35.287   1.2206 1.303860 1.735555 
1 1 1    4    1  -43 o   89.634   0.9323  1079.69   22.444  1086.76   33.445  1073.89   30.273   89.892   1.3852   89.369   1.2612 0.5225677 1.873349 
1 1 1    4    1  -42 o  130.877   1.1354  2302.29   39.911  2259.65   55.872  2346.71   57.030  129.604   1.6050  132.077   1.6076 -2.472794 2.271688 
1 1 1    4    1  -41 o  103.941   1.0601  1451.86   29.595  1439.91   41.703  1463.99   42.006  103.478   1.5005  104.340   1.4989 -0.8618393 2.120875 
1 1 1    4    1  -40 o   11.420   1.9239   18.030   5.6917   10.849   8.1300   24.934   7.9709   9.0973   2.9286   13.420   2.2937 -4.322962 3.719898 
1 1 1    4    1  -39 o  139.341   1.2991  2609.61   48.621  2590.30   68.510  2629.20   69.013  138.767   1.8381  139.805   1.8379 -1.038147 2.599324 
1 1 1    4    1  -38 o  101.932   0.9482  1395.89   25.961  1366.81   36.348  1426.17   37.092  100.845   1.3419  103.012   1.3406 -2.166443 1.896842 
1 1 1    4    1  -37 o  115.670   1.0297  1797.53   31.990  1786.07   45.090  1809.14   45.394  115.279   1.4562  116.021   1.4567 -0.7419662 2.059754 
1 1 1    4    1  -36 o   64.312   0.7612  555.554   13.149  573.719   18.807  538.182   18.392   65.349   1.0715   63.293   1.0819 2.056503 1.522692 
1 1 1    4    1  -35 o   91.164   0.9701  1116.38   23.753  1123.64   33.749  1109.25   33.437   91.448   1.3740   90.861   1.3701 0.5870743 1.940407 
1 1 1    4    1  -34 o  188.066   1.7587  4753.11   88.839  4735.45  119.082  4775.28  133.410  187.666   2.3625  188.425   2.6361 -0.7594757 3.539802 
1 1 1    4    1  -33 o   86.832   1.1318  1012.80   26.395  1032.50   35.269  987.714   39.798   87.664   1.4979   85.736   1.7282 1.928162 2.287009 
1 1 1    4    1  -32 o  155.472   1.5784  3247.43   65.909  3192.51   91.973  3305.41   94.499  154.121   2.2218  156.821   2.2435 -2.700211 3.157490 
1 1 1    4    1  -31 o  106.308   1.1087  1517.98   31.657  1547.55   47.735  1494.78   42.296  107.326   1.6559  105.485   1.4929 1.841866 2.229508 
1 1 1    4    1  -30 o   87.790   1.2200  1035.23   28.767  1045.23   35.318  1015.52   49.584   88.209   1.4907   86.934   2.1235 1.275093 2.594536 
1 1 1    4    1  -29 o  120.828   1.3816  1961.05   44.837  1948.63   68.175  1970.52   59.521  120.427   2.1077  121.109   1.8298 -0.6819153 2.791147 
1 1 1    4    1  -28 o   84.256   1.1929  953.522   26.996  946.597   38.021  960.562   38.337   83.944   1.6863   84.561   1.6879 -0.6169281 2.385974 
1 1 1    4    1  -27 o  219.454   1.9101  6469.97  112.585  6441.60  177.367  6489.11  145.702  218.915   3.0165  219.752   2.4685 -0.8376007 3.897830 
1 1 1    4    1  -26 o   72.131   0.8296  698.763   16.072  698.076   20.810  699.780   25.299   72.094   1.0747   72.180   1.3049 -0.8609009E-01 1.690521 
1 1 1    4    1  -25 o  190.637   1.6798  4881.88   86.012  4829.41  120.802  4935.85  122.495  189.586   2.3723  191.664   2.3795 -2.077545 3.360061 
1 1 1    4    1  -24 o  256.795   2.2108  8859.57  152.488  8963.36  217.414  8759.08  213.928  258.241   3.1345  255.283   3.1200 2.958725 4.422622 
1 1 1    4    1  -23 o  205.229   1.6376  5657.51   90.271  5623.88  127.198  5691.64  128.134  204.598   2.3147  205.826   2.3178 -1.228745 3.275621 
1 1 1    4    1  -22 o  121.582   1.0475  1985.33   34.208  1954.94   47.952  2016.83   48.815  120.644   1.4798  122.539   1.4831 -1.894691 2.095143 
1 1 1    4    1  -21 o  227.413   1.7992  6946.46  109.895  6749.93  152.578  7158.33  158.417  224.154   2.5343  230.835   2.5551 -6.680878 3.598758 
1 1 1    4    1  -20 o  299.676   2.3352 12063.24  187.964 12139.90  266.848 11987.74  264.807  300.592   3.3052  298.703   3.3006 1.889496 4.671018 
1 1 1    4    1  -19 o  339.297   3.2242 15465.82  293.826 15539.46  416.585 15392.91  414.488  340.044   4.5612  338.437   4.5598 1.607147 6.449471 
1 1 1    4    1  -18 o  145.023   1.3912  2824.59   54.191  2774.54   80.399  2866.27   73.359  143.727   2.0827  146.085   1.8696 -2.358246 2.798743 
1 1 1    4    1  -17 o  100.215   1.5454  1348.81   41.597  1349.84   58.817  1347.78   58.838  100.250   2.1844  100.174   2.1868 0.7633209E-01 3.090889 
1 1 1    4    1  -16 o  509.549   4.2927 34882.97  587.505 34388.53  919.405 35224.20  763.785  505.771   6.7680  511.965   5.5544 -6.193970 8.755434 
1 1 1    4    1  -15 o  186.564   2.1152  4674.74  105.990  4934.03  154.969  4446.85  145.284  191.658   3.0104  181.951   2.9728 9.707535 4.230885 
1 1 1    4    1  -14 o  295.964   2.3043 11764.89  183.173 11613.20  256.793 11922.03  261.359  294.033   3.2516  297.917   3.2663 -3.883667 4.608821 
1 1 1    4    1  -13 o  303.040   2.5814 12334.59  210.109 12151.26  294.430 12524.82  299.926  300.758   3.6448  305.346   3.6570 -4.587799 5.163175 
1 1 1    4    1  -12 o  597.753   4.5876 48007.73  736.538 48311.63  968.741 47591.39  1133.89  599.539   6.0159  594.958   7.0957 4.580872 9.302643 
1 1 1    4    1  -11 o  416.363   3.2095 23287.19  358.929 23637.80  474.586 22818.64  548.630  419.448   4.2126  412.081   4.9568 7.366516 6.505065 
1 1 1    4    1  -10 o  278.842   2.6631 10443.91  199.449 10654.29  255.559 10116.10  319.000  281.620   3.3786  274.388   4.3285 7.232391 5.490946 
1 1 1    4    1   -9 o  292.158   2.4907 11465.07  195.446 11656.27  255.130 11193.49  304.072  294.565   3.2247  288.637   3.9222 5.928192 5.077647 
1 1 1    4    1   -8 o  355.805   3.0141 17006.55  288.050 16930.80  454.209 17057.52  372.549  354.931   4.7645  356.301   3.8929 -1.370361 6.152671 
1 1 1    4    1   -7 o  354.721   3.0050 16903.56  286.301 16604.84  447.457 17110.62  372.542  351.488   4.7397  356.848   3.8869 -5.360382 6.129622 
1 1 1    4    1   -6 o  207.517   1.6432  5783.81   91.587  5741.84  128.949  5826.53  130.106  206.751   2.3221  208.271   2.3258 -1.519241 3.286565 
1 1 1    4    1   -5 o  357.398   3.0277 17160.54  290.641 17212.79  376.042 17083.04  458.037  357.896   3.9119  356.488   4.7837 1.407593 6.179538 
1 1 1    4    1   -4 o   91.130   0.8588  1115.32   21.021  1107.38   28.334  1125.04   31.350   90.804   1.1617   91.525   1.2753 -0.7208252 1.725115 
1 1 1    4    1   -3 o  635.574   5.0926 54313.17  869.363 53662.19  1279.06 54872.14  1185.22  631.311   7.5432  638.521   6.9109 -7.209656 10.23036 
1 1 1    4    1   -2 o  464.411   3.9145 28985.34  488.285 28834.28  769.469 29087.18  631.789  462.951   6.1882  465.115   5.0573 -2.163940 7.991881 
1 1 1    4    1   -1 f  448.749   3.4537 27059.23  416.273 27574.33  595.965 26568.52  581.692  452.869   4.8995  444.536   4.8719 8.333405 6.909453 
1 1 1    4    1    0 o  401.391   3.0961 21647.04  333.793 22158.33  479.567 21166.58  464.885  406.009   4.3977  396.822   4.3617 9.186920 6.193869 
1 1 1    4    1    1 f  343.770   2.6597 15876.11  245.581 15880.98  347.252 15871.23  347.356  343.764   3.7609  343.659   3.7632 0.1056519 5.320328 
1 1 1    4    1    2 o  630.622   5.0534 53471.02  855.951 53975.77  1275.94 53058.00  1154.19  633.137   7.5031  627.869   6.8441 5.267334 10.15569 
1 1 1    4    1    3 o  356.859   2.7584 17108.27  264.389 16954.64  371.675 17265.64  376.170  355.193   3.8959  358.435   3.9073 -3.242188 5.517734 
1 1 1    4    1    4 o  554.555   4.2581 41333.39  634.234 41954.22  905.838 40736.36  888.304  558.477   6.0388  550.316   6.0098 8.161316 8.519680 
1 1 1    4    1    5 o  223.853   1.8416  6730.52  110.728  6732.82  150.105  6727.77  164.001  223.878   2.4963  223.788   2.7285 0.8947754E-01 3.698090 
1 1 1    4    1    6 o  326.733   2.5319 14340.26  222.195 14253.21  313.032 14428.65  315.445  325.699   3.5783  327.697   3.5839 -1.998016 5.064480 
1 1 1    4    1    7 o  309.522   2.6326 12869.24  218.863 13044.32  312.397 12700.46  306.718  311.581   3.7329  307.447   3.7143 4.133423 5.265971 
1 1 1    4    1    8 o  238.692   1.8743  7652.24  120.163  7636.06  169.773  7668.48  170.101  238.426   2.6511  238.931   2.6506 -0.5055389 3.748846 
1 1 1    4    1    9 o  211.764   1.8354  6022.98  104.397  6000.92  134.574  6056.31  165.437  211.369   2.3704  212.333   2.9008 -0.9644318 3.746177 
1 1 1    4    1   10 o  202.816   1.8589  5524.70  101.263  5454.40  134.823  5615.67  153.382  201.514   2.4910  204.467   2.7929 -2.953003 3.742357 
1 1 1    4    1   11 o  352.401   2.7269 16680.75  258.101 16300.84  393.900 16966.59  341.668  348.321   4.2103  355.384   3.5794 -7.063263 5.526221 
1 1 1    4    1   12 o  583.159   4.4755 45691.20  701.006 45022.89  1075.20 46185.30  924.516  578.697   6.9175  586.208   5.8718 -7.511353 9.073563 
1 1 1    4    1   13 o  262.042   2.3676  9222.68  166.639  9341.24  290.714  9164.66  203.365  263.689   4.1047  261.209   2.8986 2.480377 5.025007 
1 1 1    4    1   14 o  594.019   4.7607 47410.04  759.560 47468.05  1127.03 47361.76  1028.13  594.212   7.0616  593.598   6.4486 0.6138916 9.562943 
1 1 1    4    1   15 o  819.733   7.6912 90355.70  1693.39 91265.14  2155.90 88890.89  2736.11  823.534   9.7466  812.212   12.542 11.32184 15.88403 
1 1 1    4    1   16 o   98.293   1.3718  1297.56   36.215  1252.95   45.921  1370.94   58.901   96.587   1.7701  101.031   2.1706 -4.443832 2.800842 
1 1 1    4    1   17 o  248.785   1.9545  8312.87  130.604  8282.18  184.233  8343.88  185.175  248.314   2.7623  249.237   2.7662 -0.9230804 3.909227 
1 1 1    4    1   18 o  670.255   5.1396 60375.28  925.263 60619.66  1311.61 60133.20  1305.45  671.364   7.2737  668.665   7.2687 2.698486 10.28306 
1 1 1    4    1   19 o  246.394   1.9381  8154.14  128.263  8169.13  181.532  8139.19  181.250  246.605   2.7407  246.153   2.7415 0.4523468 3.876454 
1 1 1    4    1   20 o  635.184   5.3406 54247.21  911.130 53657.90  1167.36 55165.79  1457.45  631.477   6.8827  639.962   8.4791 -8.484924 10.92088 
1 1 1    4    1   21 o  240.560   2.0774  7773.32  134.228  7848.86  190.903  7699.46  188.770  241.699   2.9407  239.388   2.9359 2.311295 4.155345 
1 1 1    4    1   22 o  348.273   3.1191 16299.24  291.766 16508.76  441.289 16136.52  388.898  350.370   4.6893  346.446   4.1793 3.923492 6.281401 
1 1 1    4    1   23 o  122.149   1.4968  2004.09   49.106  1961.22   68.629  2049.07   70.294  120.826   2.1147  123.502   2.1191 -2.676300 2.993783 
1 1 1    4    1   24 o  156.385   1.4111  3284.90   59.269  3289.04   83.826  3280.76   83.813  156.470   1.9946  156.273   1.9968 0.1970215 2.822350 
1 1 1    4    1   25 o  147.161   1.6067  2909.01   63.508  2912.52   84.050  2904.35   96.954  147.237   2.1253  147.020   2.4552 0.2165985 3.247362 
1 1 1    4    1   26 o  280.146   2.2897 10544.83  172.288 10337.24  230.153 10809.44  259.844  277.319   3.0899  283.555   3.4118 -6.235748 4.603030 
1 1 1    4    1   27 o  153.646   1.4640  3170.99   60.415  3207.44   81.651  3126.90   89.811  154.514   1.9674  152.555   2.1919 1.959167 2.945343 
1 1 1    4    1   28 o  192.518   1.5492  4978.65   80.106  4927.48  112.590  5031.10  113.998  191.502   2.1889  193.505   2.1934 -2.002899 3.098757 
1 1 1    4    1   29 o  264.480   1.9958  9398.15  141.775  9265.65  206.816  9515.61  194.729  262.541   2.9329  266.076   2.7248 -3.535217 4.003276 
1 1 1    4    1   30 o  122.623   1.3875  2019.80   45.699  2001.01   69.489  2034.12   60.663  122.032   2.1201  123.046   1.8355 -1.014229 2.804272 
1 1 1    4    1   31 o   90.566   1.0699  1101.70   26.025  1108.27   36.655  1095.02   36.955   90.829   1.5025   90.284   1.5240 0.5449371 2.140111 
1 1 1    4    1   32 o   89.816   1.1517  1083.58   27.782  1044.23   36.041  1141.20   43.613   88.163   1.5220   92.160   1.7619 -3.996490 2.328281 
1 1 1    4    1   33 o  160.212   1.3848  3448.30   59.592  3390.42   87.555  3498.26   81.339  158.827   2.0524  161.344   1.8770 -2.516647 2.781251 
1 1 1    4    1   34 o  113.491   1.0127  1730.15   30.869  1745.18   43.871  1715.41   43.442  113.970   1.4332  112.994   1.4314 0.9762802 2.025551 
1 1 1    4    1   35 o   98.057   1.0073  1291.60   26.530  1288.29   37.355  1294.98   37.686   97.918   1.4203   98.172   1.4292 -0.2537079 2.014955 
1 1 1    4    1   36 o  104.055   1.1784  1454.71   32.933  1410.82   45.957  1501.05   47.218  102.451   1.6701  105.677   1.6636 -3.225815 2.357261 
1 1 1    4    1   37 o   71.835   0.9517  693.224   18.362  692.209   26.135  694.214   25.803   71.770   1.3558   71.874   1.3366 -0.1045380 1.903887 
1 1 1    4    1   38 o   81.799   1.1613  899.102   25.515  847.783   34.932  957.798   37.358   79.408   1.6378   84.402   1.6479 -4.994598 2.323386 
1 1 1    4    1   39 o   49.471   1.0281  328.848   13.661  342.573   21.727  319.875   17.567   50.475   1.6027   48.783   1.3407 1.691685 2.089495 
1 1 1    4    1   40 o   84.598   0.8566  961.515   19.463  961.492   27.526  961.539   27.524   84.580   1.2117   84.583   1.2116 -0.2067566E-02 1.713480 
1 1 1    4    1   41 o   23.868   0.9883   76.548   6.3354   97.576   9.9180   62.053   8.2343   26.905   1.3771   21.434   1.4386 5.470413 1.991481 
1 1 1    4    1   42 o   92.455   0.9031  1148.57   22.426  1131.81   31.514  1165.76   31.921   91.753   1.2788   93.119   1.2763 -1.366196 1.806682 
1 1 1    4    1   43 o   54.433   0.8161  398.110   11.932  393.432   16.938  402.719   16.812   54.098   1.1657   54.734   1.1436 -0.6358376 1.632976 
1 1 1    4    1   44 f  115.106   1.1443  1781.37   35.378  1783.73   50.063  1779.01   50.002  115.116   1.6191  114.963   1.6193 0.1524506 2.289948 
1 1 1    4    1   45 o   26.327   0.9934   93.178   7.0249   94.101   9.4613   92.044   10.487   26.413   1.3380   26.107   1.5019 0.3059921 2.011479 
1 1 1    4    1   46 o   61.918   0.8339  515.282   13.869  520.286   20.741  511.235   18.651   62.187   1.2418   61.653   1.1263 0.5333672 1.676482 
1 1 1    4    1   47 o   25.841   1.0059   89.796   6.9818   85.607   10.095   93.636   9.6662   25.166   1.5004   26.337   1.3712 -1.171059 2.032544 
1 1 1    4    1   48 o   61.023   0.8363  500.593   13.706  481.478   18.374  524.572   20.580   59.821   1.1436   62.432   1.2273 -2.610855 1.677518 
1 1 1    4    1   49 o   48.950   0.8713  322.165   11.456  327.616   16.206  316.722   16.196   49.335   1.2230   48.506   1.2432 0.8290443 1.743922 
1 1 1    4    1   50 o   82.403   0.8820  913.071   19.520  923.456   27.752  902.903   27.461   82.817   1.2476   81.890   1.2485 0.9269943 1.765036 
1 1 1    4    1   51 f   47.892   0.8359  308.412   10.753  319.808   15.461  297.736   14.965   48.738   1.1811   47.026   1.1848 1.712261 1.672937 
1 1 1    4    1   52 o   46.018   0.8988  284.857   11.109  286.729   15.716  282.988   15.706   46.132   1.2684   45.829   1.2759 0.3028221 1.799069 
1 1 1    4    1   53 o   39.285   0.8868  207.624   9.3572  210.625   13.245  204.634   13.221   39.534   1.2474   38.966   1.2633 0.5680580 1.775306 
1 1 1    4    1   54 o   30.093   1.1888  122.028   9.6090  126.040   13.464  117.863   13.718   30.492   1.6501   29.467   1.7410 1.024664 2.398726 
1 1 1    4    1   55 o   26.547   1.1600   94.966   8.2716   97.537   11.279   91.975   12.167   26.821   1.5725   26.013   1.7517 0.8087521 2.353962 
1 1 1    4    1   56 o   28.657   1.3786  110.824   10.611  121.908   13.984   95.776   16.293   29.963   1.7451   26.427   2.3189 3.535717 2.902150 
1 1 1    4    1   57 o   35.754   1.0471  172.171   10.056  168.128   14.082  176.379   14.364   35.280   1.4861   36.136   1.4800 -0.8561401 2.097317 
1 1 1    4    1   58 o   24.227   1.3788   79.509   8.9349   78.136   12.622   80.889   12.650   23.907   1.9836   24.334   1.9519 -0.4269543 2.782875 
1 1 1    4    1   59 o   42.395   0.9449  242.083   10.760  233.667   15.298  250.323   15.137   41.585   1.3696   43.053   1.3090 -1.467957 1.894594 
1 1 1    4    1   60 o   12.187   2.4025   21.064   7.5845   32.446   11.061   10.965   10.420   15.083   2.8345   9.3699   3.3144 5.713413 4.361100 
1 1 1    4    1   61 o   74.281   0.9177  743.909   18.309  764.155   26.169  724.497   25.624   75.138   1.2967   73.159   1.3040 1.978935 1.838989 
1 1 1    4    1   62 o   15.590   2.1349   34.035   8.7048   37.897   12.661   30.573   11.987   16.165   3.0273   14.436   3.1778 1.729519 4.388959 
1 1 1    4    1   63 o   19.439   1.5975   51.921   8.2668   55.280   11.394   48.188   12.012   19.879   2.1693   18.427   2.4909 1.451763 3.303062 
1 1 1    4    1   64 o   15.963   2.1965   36.066   9.1685   32.327   12.950   39.823   12.982   14.639   3.3642   16.429   3.0544 -1.790679 4.543959 
1 1 1    4    2  -63 o   32.336   1.1590  141.686   10.066  145.598   14.508  138.055   13.977   32.585   1.6632   31.735   1.6454 0.8503036 2.339596 
1 1 1    4    2  -62 o   38.184   1.0793  197.107   11.069  213.602   14.559  174.505   17.042   39.671   1.3663   35.727   1.7760 3.943493 2.240744 
1 1 1    4    2  -61 f   24.363   1.2669   80.537   8.2616   65.123   11.421   97.456   11.966   21.733   1.9782   26.708   1.6766 -4.975262 2.593069 
1 1 1    4    2  -60 o   34.148   1.2654  157.606   11.606  169.805   15.530  142.172   17.468   35.369   1.6347   32.210   2.0295 3.158543 2.605959 
1 1 1    4    2  -59 o   33.854   1.1474  154.600   10.434  150.808   15.657  157.630   13.994   33.293   1.7571   34.127   1.5267 -0.8334999 2.327691 
1 1 1    4    2  -58 o   23.491   1.8768   75.337   11.743   74.937   16.454   75.751   16.764   23.233   2.6864   23.350   2.7242 -0.1167583 3.825981 
1 1 1    4    2  -57 o   60.705   0.8790  495.924   14.332  514.346   20.370  477.867   20.167   61.762   1.2279   59.525   1.2614 2.237034 1.760401 
1 1 1    4    2  -56 o   54.520   0.8740  399.974   12.798  384.681   17.853  416.139   18.355   53.414   1.2444   55.558   1.2301 -2.143646 1.749738 
1 1 1    4    2  -55 f   18.221   1.5005   45.139   7.2782   49.891   10.224   40.256   10.363   19.071   2.0270   17.047   2.3239 2.024427 3.083737 
1 1 1    4    2  -54 o   36.477   0.9697  179.102   9.5004  181.971   13.693  176.439   13.192   36.724   1.3882   36.165   1.3581 0.5589371 1.942052 
1 1 1    4    2  -53 o   26.162   1.1193   92.181   7.8650   91.907   11.148   92.451   11.098   26.036   1.6020   26.115   1.5897 -0.7908630E-01 2.256882 
1 1 1    4    2  -52 o   11.600   2.7364   19.070   8.3875   13.377   12.965   23.168   10.999   10.467   3.6977   12.755   3.2123 -2.288406 4.898184 
1 1 1    4    2  -51 o   37.511   0.9397  189.272   9.4679  191.746   13.458  186.848   13.322   37.725   1.3282   37.239   1.3319 0.4852638 1.881004 
1 1 1    4    2  -50 o   39.400   0.9023  208.756   9.5486  210.957   14.223  206.949   12.884   39.574   1.3381   39.206   1.2235 0.3680191 1.813111 
1 1 1    4    2  -49 o   52.991   0.8039  377.489   11.442  371.580   16.054  383.589   16.313   52.548   1.1375   53.391   1.1375 -0.8424110 1.608667 
1 1 1    4    2  -48 o   7.4048   2.5859   6.6139   6.3288   10.097   9.0298   3.2511   8.8727   9.0041   3.0920   7.2933   2.9408 1.710761 4.267152 
1 1 1    4    2  -47 o   18.082   1.2584   44.215   6.0734   53.332   8.8010   35.927   8.3918   19.821   1.6687   16.196   1.9696 3.625074 2.581439 
1 1 1    4    2  -46 o   45.294   0.7915  275.718   9.6294  272.999   13.602  278.450   13.634   45.052   1.1241   45.500   1.1156 -0.4480858 1.583718 
1 1 1    4    2  -45 o   86.812   0.9564  1013.07   22.301  1016.19   31.433  1009.91   31.645   86.904   1.3466   86.633   1.3600 0.2706833 1.913877 
1 1 1    4    2  -44 o  119.487   1.0656  1919.34   34.200  1921.58   48.409  1917.10   48.323  119.495   1.5083  119.356   1.5074 0.1392212 2.132384 
1 1 1    4    2  -43 o   54.388   0.8219  397.466   12.007  408.392   17.160  386.987   16.806   55.116   1.1592   53.652   1.1662 1.464149 1.644298 
1 1 1    4    2  -42 o   36.316   0.7921  177.187   7.7261  174.678   10.834  179.784   11.021   36.050   1.1189   36.573   1.1219 -0.5230484 1.584524 
1 1 1    4    2  -41 o   70.144   0.8776  661.065   16.535  659.869   23.311  662.277   23.457   70.064   1.2387   70.191   1.2442 -0.1274261 1.755713 
1 1 1    4    2  -40 o   67.588   0.9493  613.794   17.234  610.466   24.814  616.895   23.954   67.387   1.3710   67.743   1.3165 -0.3566132 1.900710 
1 1 1    4    2  -39 o   48.362   1.0015  314.255   13.009  303.438   14.954  347.913   26.378   47.518   1.1717   50.851   1.9313 -3.333313 2.258953 
1 1 1    4    2  -38 o   99.507   0.9322  1330.27   24.915  1334.69   35.303  1325.87   35.167   99.654   1.3190   99.323   1.3182 0.3300552 1.864779 
1 1 1    4    2  -37 o   41.579   0.8985  232.245   10.035  245.989   13.440  214.930   15.084   42.787   1.1694   39.990   1.4044 2.796875 1.827533 
1 1 1    4    2  -36 o   63.285   0.8586  537.985   14.595  537.488   19.711  538.588   21.714   63.250   1.1603   63.312   1.2769 -0.6175995E-01 1.725340 
1 1 1    4    2  -35 o   70.830   1.0374  673.943   19.736  669.954   30.002  676.985   26.204   70.606   1.5820   70.982   1.3745 -0.3754730 2.095700 
1 1 1    4    2  -34 o   45.294   1.0107  275.584   12.296  276.711   16.089  274.002   19.065   45.383   1.3199   45.157   1.5719 0.2264442 2.052594 
1 1 1    4    2  -33 o  161.189   1.5397  3490.87   66.660  3473.47   89.172  3512.92  100.360  160.757   2.0652  161.650   2.3115 -0.8935089 3.099697 
1 1 1    4    2  -32 o  234.898   2.2777  7416.54  143.704  7501.79  204.503  7333.39  201.977  236.141   3.2243  233.476   3.2208 2.665054 4.557400 
1 1 1    4    2  -31 o  100.815   1.0800  1365.18   29.244  1354.23   43.622  1374.12   39.412  100.399   1.6176  101.138   1.4508 -0.7386780 2.172953 
1 1 1    4    2  -30 o  139.309   1.8163  2607.40   67.962  2777.51  111.086  2505.63   85.918  143.736   2.8774  136.544   2.3427 7.191269 3.710491 
1 1 1    4    2  -29 o  216.244   1.8863  6282.43  109.556  6168.00  153.087  6402.56  156.852  214.221   2.6606  218.256   2.6757 -4.034393 3.773346 
1 1 1    4    2  -28 o  125.613   1.1874  2119.32   40.061  2116.19   56.578  2122.48   56.732  125.511   1.6783  125.697   1.6804 -0.1864014 2.374961 
1 1 1    4    2  -27 o  257.871   2.2205  8934.65  153.793  9101.80  245.891  8827.24  197.104  260.176   3.5187  256.274   2.8635 3.901154 4.536639 
1 1 1    4    2  -26 o  115.896   1.0645  1804.05   33.135  1830.77   55.436  1789.19   41.331  116.741   1.7680  115.415   1.3333 1.326096 2.214357 
1 1 1    4    2  -25 o  107.623   1.1745  1555.71   33.951  1530.88   42.704  1598.36   55.972  106.757   1.4893  109.077   1.9105 -2.320595 2.422402 
1 1 1    4    2  -24 o  105.191   1.3402  1486.25   37.864  1537.49   54.561  1438.65   52.590  106.979   1.8989  103.483   1.8921 3.495834 2.680597 
1 1 1    4    2  -23 o  368.059   2.8496 18204.31  281.703 18198.75  398.278 18209.87  398.497  367.885   4.0307  367.997   4.0317 -0.1122742 5.700990 
1 1 1    4    2  -22 o   95.699   1.2587  1230.06   32.353  1211.14   45.301  1249.75   46.221   94.955   1.7762   96.457   1.7841 -1.501465 2.517525 
1 1 1    4    2  -21 o  248.610   1.9556  8302.21  130.585  8233.07  183.538  8373.09  185.833  247.547   2.7604  249.642   2.7715 -2.095657 3.911664 
1 1 1    4    2  -20 o  350.547   2.9770 16509.37  280.292 16450.37  395.396 16568.96  397.398  349.850   4.2078  351.108   4.2140 -1.258423 5.955122 
1 1 1    4    2  -19 o  233.169   2.0167  7302.47  126.301  7400.25  180.052  7207.75  177.215  234.707   2.8561  231.635   2.8484 3.072601 4.033749 
1 1 1    4    2  -18 o  248.214   2.3916  8275.39  159.442  8227.21  224.722  8324.22  226.257  247.469   3.3809  248.923   3.3841 -1.454727 4.783579 
1 1 1    4    2  -17 o  218.834   2.0016  6431.84  117.649  6550.04  145.719  6210.51  199.392  220.830   2.4568  215.014   3.4526 5.816116 4.237498 
1 1 1    4    2  -16 o  367.570   2.9693 18148.15  293.144 18071.89  366.535 18283.51  488.324  366.776   3.7207  368.872   4.9288 -2.096161 6.175476 
1 1 1    4    2  -15 o  651.614   5.4732 57059.47  957.916 56949.36  1512.56 57133.21  1237.77  650.664   8.6550  651.892   7.0693 -1.227356 11.17509 
1 1 1    4    2  -14 o   55.316   1.1166  410.934   16.590  437.200   34.205  402.855   18.970   57.054   2.2321   54.769   1.2896 2.284870 2.577824 
1 1 1    4    2  -13 o  351.833   2.7231 16626.58  257.330 16431.26  361.172 16827.97  366.732  349.733   3.8449  353.929   3.8578 -4.196350 5.446646 
1 1 1    4    2  -12 o  344.865   2.6708 15974.56  247.387 15673.06  345.509 16291.74  354.375  341.569   3.7661  348.244   3.7887 -6.675598 5.342035 
1 1 1    4    2  -11 o  230.328   1.8948  7125.13  117.218  7091.02  158.211  7166.65  174.531  229.768   2.5636  230.987   2.8132 -1.218475 3.806048 
1 1 1    4    2  -10 o  433.255   3.6553 25217.16  425.365 25253.52  673.290 25193.01  548.749  433.457   5.7831  432.999   4.7184 0.4583435 7.463784 
1 1 1    4    2   -9 o  105.646   1.3018  1498.97   36.939  1526.38   45.715  1447.41   62.700  106.607   1.5965  103.809   2.2487 2.797859 2.757849 
1 1 1    4    2   -8 o  468.123   3.9456 29443.29  496.090 29133.49  636.068 29924.39  792.650  465.581   5.0865  471.764   6.2555 -6.182739 8.062499 
1 1 1    4    2   -7 o  146.319   1.3165  2875.35   51.737  2831.32   81.171  2905.47   67.144  145.189   2.0815  147.081   1.6997 -1.892426 2.687276 
1 1 1    4    2   -6 o  202.859   1.7634  5527.12   96.079  5565.54  152.599  5501.88  123.669  203.546   2.7912  202.388   2.2750 1.158066 3.600923 
1 1 1    4    2   -5 o  354.472   3.0029 16880.09  285.898 16973.77  453.729 16818.40  368.185  355.362   4.7537  353.783   3.8747 1.579041 6.132784 
1 1 1    4    2   -4 o  247.450   2.1242  8224.62  141.182  8030.30  219.763  8361.17  184.226  244.477   3.3468  249.481   2.7493 -5.003860 4.331225 
1 1 1    4    2   -3 o  604.599   4.8472 49138.50  787.145 50242.21  1184.47 48265.55  1053.40  610.988   7.2177  598.963   6.5479 12.02472 9.745279 
1 1 1    4    2   -2 o  234.790   1.8439  7404.29  116.282  7419.71  164.694  7388.95  164.201  235.017   2.6091  234.529   2.6067 0.4875336 3.688093 
1 1 1    4    2   -1 o  183.014   1.4627  4498.52   71.902  4556.65  102.478  4442.15  100.910  184.184   2.0715  181.855   2.0659 2.328812 2.925619 
1 1 1    4    2    0 o  219.521   1.7308  6472.52  102.052  6499.58  144.673  6445.71  143.976  219.965   2.4487  219.052   2.4471 0.9133301 3.461868 
1 1 1    4    2    1 o  369.924   2.8570 18384.14  283.866 18257.78  399.710 18512.72  403.207  368.584   4.0375  371.148   4.0447 -2.563934 5.715016 
1 1 1    4    2    2 o  348.341   2.6941 16300.69  252.059 16341.76  357.085 16259.90  355.849  348.725   3.8124  347.850   3.8087 0.8742981 5.388949 
1 1 1    4    2    3 o  303.795   2.3592 12397.24  192.503 12218.33  269.732 12582.96  274.821  301.561   3.3302  306.027   3.3435 -4.466125 4.718991 
1 1 1    4    2    4 o  320.886   2.4877 13831.56  214.411 13973.15  305.271 13693.70  301.215  322.484   3.5244  319.244   3.5129 3.240570 4.976107 
1 1 1    4    2    5 o  351.326   2.7172 16580.73  256.404 16582.52  362.500 16578.94  362.720  351.295   3.8419  351.257   3.8446 0.3805542E-01 5.435184 
1 1 1    4    2    6 o  209.677   1.7334  5904.88   97.619  5983.80  145.907  5840.93  131.348  211.060   2.5738  208.530   2.3451 2.530670 3.481960 
1 1 1    4    2    7 o  237.956   1.8690  7605.12  119.456  7550.17  168.094  7661.17  169.791  237.081   2.6397  238.818   2.6470 -1.736191 3.738303 
1 1 1    4    2    8 o  339.677   2.8810 15498.96  262.845 15511.58  339.575 15480.09  415.150  339.786   3.7208  339.406   4.5540 0.3805237 5.880766 
1 1 1    4    2    9 o  193.303   1.6879  5018.48   87.632  5067.38  113.956  4947.70  137.087  194.237   2.1843  191.923   2.6594 2.313507 3.441416 
1 1 1    4    2   10 o  281.773   2.1963 10663.86  166.221 10732.22  236.053 10596.63  234.102  282.658   3.1093  280.866   3.1032 1.791016 4.392895 
1 1 1    4    2   11 o  308.012   2.7647 12743.07  228.719 12920.52  346.215 12605.66  304.669  310.115   4.1565  306.325   3.7030 3.789368 5.566772 
1 1 1    4    2   12 o  584.466   4.9128 45899.79  771.227 45449.10  1211.20 46207.13  1000.20  581.359   7.7567  586.315   6.3513 -4.955750 10.02528 
1 1 1    4    2   13 o  478.730   3.6822 30787.10  473.472 30650.69  667.572 30925.17  671.627  477.600   5.2041  479.733   5.2124 -2.133331 7.365543 
1 1 1    4    2   14 o  575.509   4.8396 44502.28  748.091 45232.11  1194.16 44030.84  959.763  579.990   7.6656  572.357   6.2432 7.632996 9.886305 
1 1 1    4    2   15 o  202.440   1.7655  5504.06   95.996  5570.10  152.714  5460.92  123.432  203.640   2.7920  201.640   2.2791 2.000015 3.604126 
1 1 1    4    2   16 o   93.726   1.3447  1179.79   33.851  1146.61   52.923  1202.76   44.039   92.396   2.1325   94.633   1.7326 -2.237099 2.747651 
1 1 1    4    2   17 o   51.586   1.0331  357.388   14.314  383.827   19.037  322.992   21.713   53.460   1.3258   49.040   1.6485 4.419804 2.115448 
1 1 1    4    2   18 o  392.584   3.3227 20704.89  350.359 20868.08  454.747 20466.53  549.581  394.084   4.2962  390.221   5.2436 3.863220 6.778861 
1 1 1    4    2   19 o  583.088   5.8674 45717.71  918.904 46399.68  1226.84 44846.21  1386.87  587.138   7.7796  577.017   8.9486 10.12097 11.85749 
1 1 1    4    2   20 o  432.112   3.6511 25090.94  423.752 25475.27  605.183 24721.26  593.539  435.275   5.1764  428.787   5.1537 6.487610 7.304499 
1 1 1    4    2   21 o  179.621   1.5157  4333.45   73.125  4336.39   99.056  4329.93  108.403  179.673   2.0526  179.535   2.2480 0.1381378 3.044139 
1 1 1    4    2   22 o  374.477   2.8977 18843.38  291.452 18636.55  409.131 19056.48  415.289  372.310   4.0913  376.480   4.1069 -4.169556 5.797057 
1 1 1    4    2   23 o  120.294   1.1411  1943.55   36.870  1972.29   58.828  1924.97   47.316  121.171   1.8076  119.714   1.4715 1.457253 2.330815 
1 1 1    4    2   24 o  291.859   2.2793 11445.42  178.675 11310.63  250.688 11584.58  254.730  290.062   3.2177  293.553   3.2307 -3.490479 4.559768 
1 1 1    4    2   25 o  155.287   1.5672  3239.14   65.367  3250.57   92.328  3227.64   92.558  155.544   2.2100  154.994   2.2234 0.5500183 3.134854 
1 1 1    4    2   26 o   36.710   1.1105  181.003   10.950  188.176   12.788  161.300   21.195   37.430   1.2720   34.572   2.2956 2.857876 2.624482 
1 1 1    4    2   27 o   58.753   0.8684  463.609   13.704  475.731   17.625  445.074   21.794   59.515   1.1026   57.563   1.4096 1.951763 1.789588 
1 1 1    4    2   28 o  184.988   1.4951  4596.75   74.284  4626.99  105.440  4566.96  104.670  185.573   2.1154  184.365   2.1137 1.207794 2.990473 
1 1 1    4    2   29 o  134.812   1.2550  2441.19   45.443  2532.64   73.342  2384.20   57.894  137.296   1.9889  133.222   1.6180 4.073929 2.563869 
1 1 1    4    2   30 o  184.776   1.6364  4586.75   81.213  4587.07  114.878  4586.43  114.826  184.751   2.3150  184.738   2.3142 0.1286316E-01 3.273340 
1 1 1    4    2   31 o  230.030   1.8246  7109.57  112.732  7123.14  159.630  7096.07  159.226  230.193   2.5818  229.755   2.5802 0.4377289 3.650132 
1 1 1    4    2   32 o  212.457   1.6299  6064.57   93.011  6051.44  136.705  6075.88  126.916  212.172   2.3989  212.615   2.2224 -0.4426270 3.270132 
1 1 1    4    2   33 o   47.386   0.8661  301.596   11.024  309.777   14.717  291.141   16.639   48.022   1.1410   46.553   1.3307 1.469017 1.752930 
1 1 1    4    2   34 o  151.876   1.4644  3099.24   59.737  3032.29   88.473  3155.33   80.984  150.181   2.1933  153.214   1.9679 -3.033066 2.946755 
1 1 1    4    2   35 o   65.387   1.1430  574.374   20.074  543.621   31.372  595.693   26.121   63.594   1.8367   66.582   1.4607 -2.987293 2.346684 
1 1 1    4    2   36 o  138.787   1.1795  2587.96   43.969  2606.71   62.430  2569.50   61.934  139.258   1.6691  138.260   1.6678 0.9976196 2.359547 
1 1 1    4    2   37 o   91.170   1.0218  1116.71   25.020  1116.41   37.408  1116.95   33.657   91.135   1.5282   91.165   1.3745 -0.2954865E-01 2.055419 
1 1 1    4    2   38 o  103.396   1.1740  1436.58   32.603  1418.92   45.881  1454.60   46.339  102.726   1.6629  104.010   1.6587 -1.283791 2.348724 
1 1 1    4    2   39 o   20.360   1.0431   55.846   5.6851   47.595   8.0103   64.220   8.0699   18.745   1.6065   21.813   1.3845 -3.068600 2.120839 
1 1 1    4    2   40 o   33.020   0.7910  146.479   7.0157  147.347   9.9169  145.609   9.9266   33.112   1.1151   32.916   1.1228 0.1961174 1.582397 
1 1 1    4    2   41 o   38.089   0.7748  194.908   7.9261  189.295   11.133  200.678   11.287   37.530   1.1044   38.642   1.0875 -1.112343 1.549973 
1 1 1    4    2   42 o  123.275   1.1854  2042.83   39.248  2037.63   55.431  2048.05   55.581  123.059   1.6770  123.374   1.6773 -0.3141632 2.371871 
1 1 1    4    2   43 o   81.773   0.9408  898.641   20.663  895.529   29.159  901.781   29.286   81.604   1.3304   81.888   1.3315 -0.2842636 1.882237 
1 1 1    4    2   44 o   72.524   0.8145  706.789   15.866  701.504   22.393  712.118   22.484   72.231   1.1542   72.775   1.1503 -0.5446854 1.629535 
1 1 1    4    2   45 o   74.482   0.8260  745.554   16.524  757.208   23.513  734.180   23.228   75.035   1.1667   73.885   1.1705 1.150131 1.652626 
1 1 1    4    2   46 o   59.211   0.8341  471.227   13.265  474.036   17.874  467.782   19.792   59.367   1.1209   58.963   1.2498 0.4037971 1.678806 
1 1 1    4    2   47 o   37.301   0.9544  187.081   9.5619  170.620   14.219  200.671   12.919   35.591   1.4874   38.615   1.2456 -3.024296 1.940122 
1 1 1    4    2   48 o   48.150   0.7970  311.647   10.308  306.237   14.491  317.188   14.665   47.708   1.1309   48.554   1.1245 -0.8460350 1.594836 
1 1 1    4    2   49 o   51.565   0.8978  357.532   12.435  368.407   17.739  347.023   17.437   52.311   1.2625   50.769   1.2787 1.542545 1.796949 
1 1 1    4    2   50 o   75.814   0.9298  773.030   18.933  781.369   26.995  764.957   26.561   76.166   1.3196   75.363   1.3122 0.8028946 1.860924 
1 1 1    4    2   51 o   46.142   0.8384  286.299   10.391  287.448   14.722  285.158   14.667   46.205   1.1863   46.020   1.1866 0.1844254 1.677876 
1 1 1    4    2   52 o   21.898   1.2741   64.830   7.4616   72.774   10.616   57.075   10.490   23.146   1.7199   20.448   1.9329 2.697685 2.587318 
1 1 1    4    2   53 o   39.203   0.9567  206.824   10.074  204.945   15.336  208.249   13.360   38.970   1.4652   39.307   1.2655 -0.3372536 1.936045 
1 1 1    4    2   54 o   20.000   1.4598   54.278   7.7876   59.464   10.340   47.479   11.838   20.873   1.8639   18.516   2.4398 2.357149 3.070326 
1 1 1    4    2   55 f   37.284   0.9263  187.087   9.2756  198.047   13.283  176.656   12.958   38.321   1.2905   36.188   1.3332 2.133728 1.855497 
1 1 1    4    2   56 o   52.623   0.9358  372.731   13.227  369.885   18.518  375.695   18.899   52.365   1.3166   52.771   1.3333 -0.4066467 1.873857 
1 1 1    4    2   57 o   16.986   2.2084   39.884   9.8369   42.859   16.148   38.129   12.404   17.270   3.5979   16.434   2.9170 0.8357983 4.631810 
1 1 1    4    2   58 o   37.380   0.9888  188.189   9.9278  186.303   14.125  190.031   13.957   37.137   1.4161   37.511   1.3853 -0.3744926 1.980957 
1 1 1    4    2   59 o   24.738   1.3543   82.933   8.9640   78.871   12.805   86.837   12.553   23.992   2.0054   25.215   1.8668 -1.222446 2.739862 
1 1 1    4    2   60 o   57.222   0.8925  441.135   13.717  434.451   19.273  447.997   19.528   56.695   1.2656   57.573   1.2628 -0.8779030 1.787882 
1 1 1    4    2   61 f   40.709   1.0372  223.712   11.341  230.542   17.169  218.426   15.106   41.195   1.5517   40.140   1.4011 1.054630 2.090682 
1 1 1    4    2   62 o   27.381   1.1465  101.443   8.4317  114.643   12.096   88.967   11.759   28.977   1.5600   25.466   1.7294 3.510260 2.329043 
1 1 1    4    2   63 o   16.292   2.0512   37.176   8.7772   35.100   13.351   38.756   11.648   15.348   3.3341   16.391   2.7428 -1.042238 4.317286 
1 1 1    4    3  -63 o   5.8299   2.6025  -2.7040   8.3001  -7.0272   12.514   0.6922   11.091   6.7125   3.0750   7.3245   3.1431 -0.6120458 4.397155 
1 1 1    4    3  -62 f   24.858   1.3284   84.079   8.8367   90.452   12.453   77.617   12.541   25.642   1.8200   23.687   1.9896 1.954351 2.696509 
1 1 1    4    3  -61 o   17.171   1.7999   40.653   8.1774   41.436   11.741   39.915   11.396   17.091   2.6430   16.778   2.6140 0.3130226 3.717322 
1 1 1    4    3  -60 o   15.240   2.1987   32.432   8.7397   39.989   12.396   24.962   12.324   16.762   2.8557   13.075   3.4567 3.686589 4.483761 
1 1 1    4    3  -59 o   24.916   1.2704   84.056   8.4738   78.574   11.978   89.547   11.989   23.971   1.8754   25.627   1.7523 -1.656029 2.566617 
1 1 1    4    3  -58 o   27.242   1.5340  100.681   11.179  111.023   14.310   84.486   17.906   28.541   1.8771   24.660   2.7502 3.881344 3.329767 
1 1 1    4    3  -57 o   26.661   1.3306   95.923   9.5281   94.717   13.436   97.143   13.514   26.359   1.9108   26.699   1.8968 -0.3399239 2.692405 
1 1 1    4    3  -56 o   55.618   0.8989  416.293   13.428  426.138   18.332  404.894   19.726   56.223   1.2139   54.781   1.3407 1.442307 1.808599 
1 1 1    4    3  -55 o   23.819   1.2416   76.698   7.9160   78.763   10.888   74.383   11.529   24.071   1.6950   23.361   1.8526 0.7101765 2.510999 
1 1 1    4    3  -54 f   25.848   1.1195   90.006   7.7723   86.727   11.012   93.261   10.971   25.278   1.6307   26.227   1.5646 -0.9493599 2.259898 
1 1 1    4    3  -53 o   36.982   0.9140  184.028   9.0790  184.542   12.969  183.533   12.714   36.996   1.3052   36.897   1.2829 0.9875488E-01 1.830112 
1 1 1    4    3  -52 f   17.525   1.8411   41.989   8.5367   46.755   12.387   37.678   11.782   18.357   2.5837   16.402   2.7733 1.955654 3.790343 
1 1 1    4    3  -51 o   52.743   0.8281  374.079   11.731  364.241   16.482  384.179   16.700   52.010   1.1799   53.417   1.1640 -1.406391 1.657383 
1 1 1    4    3  -50 o   44.554   0.8271  266.901   9.8979  273.835   14.131  260.223   13.868   45.103   1.1665   43.967   1.1743 1.136017 1.655233 
1 1 1    4    3  -49 o   49.201   0.9095  325.528   12.019  315.265   16.844  336.176   17.156   48.387   1.2960   49.968   1.2783 -1.580811 1.820391 
1 1 1    4    3  -48 o   42.712   0.9176  245.308   10.527  244.751   14.766  245.884   15.013   42.638   1.2894   42.735   1.3080 -0.9700394E-01 1.836619 
1 1 1    4    3  -47 o   11.242   1.9281   17.535   5.6122   11.340   7.8648   23.962   8.0111   9.1779   2.8717   13.111   2.3618 -3.933139 3.718156 
1 1 1    4    3  -46 o   95.345   0.9271  1222.15   23.742  1228.60   33.653  1215.75   33.499   95.545   1.3114   95.043   1.3123 0.5012894 1.855182 
1 1 1    4    3  -45 o   25.840   0.9890   89.769   6.8640   91.859   9.5579   87.543   9.8638   26.091   1.3687   25.461   1.4483 0.6296196 1.992728 
1 1 1    4    3  -44 o   47.276   0.8131  300.346   10.325  293.184   13.755  309.589   15.626   46.697   1.0967   47.980   1.2126 -1.282566 1.634920 
1 1 1    4    3  -43 o   54.384   0.7612  397.378   11.119  391.993   15.675  402.829   15.773   54.001   1.0807   54.743   1.0728 -0.7416420 1.522766 
1 1 1    4    3  -42 o   37.609   0.8342  190.042   8.4267  192.563   11.910  187.515   11.925   37.848   1.1716   37.348   1.1887 0.4999313 1.669022 
1 1 1    4    3  -41 o   71.819   0.8862  693.032   17.094  695.225   24.156  690.833   24.193   71.915   1.2506   71.687   1.2565 0.2278061 1.772797 
1 1 1    4    3  -40 o  136.366   1.2817  2499.66   46.943  2452.41   65.751  2548.79   67.044  135.008   1.8132  137.635   1.8136 -2.627335 2.564528 
1 1 1    4    3  -39 o  122.836   1.0774  2027.57   35.547  2021.41   50.144  2033.79   50.398  122.612   1.5226  122.987   1.5257 -0.3747253 2.155465 
1 1 1    4    3  -38 o   40.105   0.9049  216.087   9.7479  219.625   12.886  211.354   14.904   40.427   1.1868   39.653   1.3993 0.7735825 1.834834 
1 1 1    4    3  -37 o   59.181   0.8233  470.488   13.087  473.871   18.292  466.940   18.731   59.386   1.1468   58.949   1.1830 0.4369125 1.647605 
1 1 1    4    3  -36 o   62.026   0.9321  516.814   15.528  503.528   21.603  531.015   22.334   61.214   1.3139   62.863   1.3228 -1.648354 1.864458 
1 1 1    4    3  -35 o   62.923   0.7929  531.808   13.401  518.760   19.753  542.935   18.240   62.139   1.1835   63.573   1.0682 -1.433765 1.594299 
1 1 1    4    3  -34 o   78.784   0.8184  833.703   17.318  840.233   24.580  827.266   24.404   79.086   1.1572   78.473   1.1578 0.6126099 1.636945 
1 1 1    4    3  -33 f  176.873   1.5793  4203.50   75.026  4157.24   96.187  4275.37  119.894  175.867   2.0363  178.310   2.5034 -2.442215 3.226988 
1 1 1    4    3  -32 o   92.584   1.0849  1151.40   26.978  1143.04   31.031  1177.27   54.594   92.244   1.2525   93.589   2.1718 -1.344635 2.507110 
1 1 1    4    3  -31 o  205.295   1.6447  5662.42   90.690  5670.80  128.404  5654.08  128.106  205.404   2.3274  205.101   2.3255 0.3028717 3.290093 
1 1 1    4    3  -30 o   56.478   0.7293  428.410   11.063  441.675   15.828  415.740   15.469   57.344   1.0276   55.635   1.0352 1.709194 1.458627 
1 1 1    4    3  -29 o  109.536   1.2773  1611.63   37.580  1638.91   57.607  1591.41   49.583  110.446   1.9419  108.839   1.6961 1.606445 2.578370 
1 1 1    4    3  -28 o  190.455   1.6811  4872.86   85.996  4883.56  121.755  4862.20  121.479  190.635   2.3779  190.217   2.3777 0.4173737 3.362725 
1 1 1    4    3  -27 o  242.966   2.2128  7931.80  144.404  7867.19  215.614  7984.35  194.458  241.899   3.3186  243.721   2.9706 -1.821945 4.453897 
1 1 1    4    3  -26 o  190.462   1.5331  4872.80   78.429  4880.04  111.020  4865.59  110.812  190.582   2.1688  190.300   2.1680 0.2823486 3.066592 
1 1 1    4    3  -25 o   44.942   0.8647  271.270   10.437  253.846   13.603  296.211   16.275   43.474   1.1650   46.961   1.2903 -3.487167 1.738423 
1 1 1    4    3  -24 o   51.975   0.8339  362.810   11.642  354.305   14.651  377.378   19.175   51.361   1.0620   53.006   1.3469 -1.644341 1.715222 
1 1 1    4    3  -23 o  169.583   1.5954  3862.96   72.669  3746.80  107.058  3962.20   98.959  166.992   2.3869  171.733   2.1454 -4.740891 3.209361 
1 1 1    4    3  -22 o  174.730   2.1893  4101.57  102.745  4333.09  136.939  3803.35  155.417  179.572   2.8392  168.215   3.4399 11.35764 4.460245 
1 1 1    4    3  -21 o  163.297   1.5411  3581.65   67.593  3595.25   90.784  3564.75  101.252  163.597   2.0661  162.896   2.3142 0.7009735 3.102263 
1 1 1    4    3  -20 f  185.686   1.7258  4631.15   86.073  4624.44  115.268  4639.61  129.406  185.540   2.3130  185.838   2.5925 -0.2974243 3.474380 
1 1 1    4    3  -19 o  169.301   1.5083  3849.64   68.585  3827.10   88.136  3884.25  109.203  168.799   1.9440  170.048   2.3910 -1.248795 3.081519 
1 1 1    4    3  -18 o  157.760   1.4161  3342.62   60.005  3403.72   85.772  3284.05   83.977  159.190   2.0060  156.367   1.9995 2.823441 2.832336 
1 1 1    4    3  -17 o  122.405   1.6209  2012.31   53.290  1990.84   68.224  2045.92   85.346  121.747   2.0863  123.416   2.5746 -1.668861 3.313851 
1 1 1    4    3  -16 o  320.288   3.0472 13779.85  262.141 13671.33  330.057 13965.27  431.422  319.002   3.8522  322.373   4.9825 -3.370880 6.298006 
1 1 1    4    3  -15 f  478.082   3.6777 30704.50  472.245 30832.84  669.471 30577.40  666.252  479.006   5.2035  477.017   5.2001 1.988220 7.356489 
1 1 1    4    3  -14 o  291.572   2.4880 11418.62  194.844 11052.36  301.548 11681.13  255.294  286.829   3.9142  294.891   3.2232 -8.061890 5.070486 
1 1 1    4    3  -13 o  443.224   3.4132 26388.58  406.333 26600.42  577.582 26181.00  571.745  444.943   4.8330  441.422   4.8223 3.521210 6.827353 
1 1 1    4    3  -12 o  144.706   1.3792  2812.23   53.603  2800.87   80.279  2821.37   72.007  144.409   2.0697  144.938   1.8497 -0.5287170 2.775805 
1 1 1    4    3  -11 f   32.177   0.7286  139.049   6.2971  145.910   10.824  135.539   7.7423   32.961   1.2226   31.769   0.9074 1.192736 1.522499 
1 1 1    4    3  -10 o  297.589   2.3156 11894.60  185.082 11891.68  261.599 11897.52  261.893  297.534   3.2735  297.607   3.2763 -0.7287598E-01 4.631412 
1 1 1    4    3   -9 o  144.251   1.2414  2794.57   48.098  2886.42   72.681  2723.00   64.156  146.599   1.8459  142.389   1.6775 4.209473 2.494241 
1 1 1    4    3   -8 o  185.557   1.8166  4624.40   90.536  4697.49  129.340  4554.17  126.772  187.009   2.5750  184.134   2.5633 2.874847 3.633323 
1 1 1    4    3   -7 o  270.398   2.5840  9821.02  187.669  9873.88  266.298  9768.86  264.518  271.098   3.6572  269.653   3.6522 1.445465 5.168561 
1 1 1    4    3   -6 o   58.498   0.6386  459.571   10.034  462.131   14.204  457.021   14.176   58.660   0.9015   58.335   0.9047 0.3251953 1.277237 
1 1 1    4    3   -5 o  134.247   1.1152  2420.42   40.213  2418.55   56.823  2422.30   56.916  134.193   1.5765  134.297   1.5779 -0.1040344 2.230521 
1 1 1    4    3   -4 o   58.058   0.6331  452.687   9.8723  449.424   13.922  455.987   14.002   57.848   0.8960   58.269   0.8946 -0.4208679 1.266173 
1 1 1    4    3   -3 o  456.720   3.5147 28025.98  431.152 28216.08  612.171 27838.87  607.341  458.161   4.9747  455.089   4.9687 3.072296 7.031030 
1 1 1    4    3   -2 o  117.759   1.1548  1862.40   36.524  1872.72   49.155  1849.68   54.574  118.082   1.5498  117.353   1.7314 0.7298126 2.323755 
1 1 1    4    3   -1 o  138.248   1.1423  2566.86   42.416  2554.68   59.823  2579.17   60.150  137.916   1.6150  138.576   1.6160 -0.6596069 2.284666 
1 1 1    4    3    0 o   99.128   0.8753  1319.67   23.304  1300.81   32.725  1339.06   33.193   98.415   1.2380   99.852   1.2377 -1.436409 1.750570 
1 1 1    4    3    1 o  397.957   3.0686 21276.22  327.997 21416.14  465.940 21138.76  461.803  399.190   4.3457  396.597   4.3353 2.592896 6.138362 
1 1 1    4    3    2 o  260.475   2.0352  9113.05  142.386  9208.69  202.752  9019.99  200.005  261.818   2.8832  259.121   2.8737 2.696136 4.070767 
1 1 1    4    3    3 o  140.572   1.1590  2653.88   43.760  2688.60   62.325  2620.12   61.457  141.485   1.6400  139.672   1.6382 1.813477 2.318087 
1 1 1    4    3    4 o  444.721   3.4229 26571.64  408.865 26701.85  579.956 26442.97  576.504  445.716   4.8444  443.551   4.8391 2.165497 6.847322 
1 1 1    4    3    5 o  409.504   3.1563 22528.07  347.159 21977.63  483.126 23115.71  499.182  404.402   4.4479  414.739   4.4812 -10.33649 6.313852 
1 1 1    4    3    6 o  275.332   2.2424 10182.27  165.827 10233.04  225.392 10122.36  244.844  275.999   3.0405  274.494   3.3210 1.504486 4.502572 
1 1 1    4    3    7 o  429.503   3.6237 24783.55  418.035 25024.74  543.287 24433.49  654.510  431.531   4.6873  426.335   5.7158 5.196167 7.391949 
1 1 1    4    3    8 o  251.108   2.4089  8469.41  162.472  8583.62  231.967  8359.41  227.634  252.776   3.4166  249.453   3.3975 3.322693 4.818326 
1 1 1    4    3    9 o  107.848   1.2328  1562.07   35.712  1657.55   69.152  1527.35   41.703  111.090   2.3176  106.642   1.4559 4.447823 2.736979 
1 1 1    4    3   10 o  148.624   1.3370  2966.58   53.372  2940.94   83.993  2983.94   69.122  147.975   2.1133  149.056   1.7265 -1.080566 2.728899 
1 1 1    4    3   11 f  369.994   2.8599 18387.80  284.210 18657.45  405.928 18128.51  398.055  372.663   4.0555  367.343   4.0344 5.319794 5.720428 
1 1 1    4    3   12 o  534.759   4.2908 38419.39  616.299 38530.43  914.917 38327.16  833.869  535.404   6.3622  534.029   5.8135 1.375916 8.618290 
1 1 1    4    3   13 o  506.497   4.2660 34465.59  580.354 35280.90  931.348 33948.05  742.030  512.302   6.7685  502.615   5.4966 9.686157 8.719262 
1 1 1    4    3   14 o  313.665   3.4462 13216.18  290.332 13544.04  417.008 12907.75  404.463  317.490   4.8902  309.943   4.8585 7.546448 6.893395 
1 1 1    4    3   15 f  902.383   6.9089 109476.30  1674.52 107633.90  2341.94 111403.50  2395.21  894.272   9.7502  909.786   9.8019 -15.51434 13.82550 
1 1 1    4    3   16 o   58.884   0.9642  465.652   15.250  447.022   18.331  507.536   27.484   57.693   1.1829   61.473   1.6646 -3.780067 2.042095 
1 1 1    4    3   17 o  214.590   2.9484  6185.69  169.939  6248.18  197.434  6007.00  333.839  215.662   3.4084  211.390   5.8798 4.272461 6.796265 
1 1 1    4    3   18 o  402.858   3.8109 21806.27  412.350 21264.21  513.160 22794.14  692.751  397.761   4.8033  411.708   6.2646 -13.94675 7.894131 
1 1 1    4    3   19 o  580.820   4.4624 45342.67  696.148 46156.90  996.044 44565.11  973.352  585.764   6.3309  575.580   6.2961 10.18384 8.928656 
1 1 1    4    3   20 f  168.719   1.9411  3823.63   87.962  3793.79  151.437  3838.82  108.061  168.027   3.3555  169.046   2.3800 -1.018784 4.113854 
1 1 1    4    3   21 o  121.183   1.4704  1972.43   47.861  2014.52   68.313  1931.85   67.075  122.461   2.0769  119.922   2.0824 2.539078 2.941076 
1 1 1    4    3   22 o  306.679   2.2950 12635.63  189.039 12606.21  277.788 12661.01  257.991  306.252   3.3771  306.935   3.1294 -0.6831360 4.604133 
1 1 1    4    3   23 o  172.606   1.4649  4001.75   67.912  3967.98   91.426  4043.34  101.437  171.863   1.9806  173.482   2.1770 -1.618439 2.943123 
1 1 1    4    3   24 o   81.856   0.9953  899.916   21.882  882.963   35.639  910.175   27.723   81.075   1.6366   82.319   1.2539 -1.243927 2.061722 
1 1 1    4    3   25 o  134.842   1.2494  2442.15   45.251  2394.98   63.297  2491.47   64.717  133.523   1.7649  136.186   1.7693 -2.663223 2.499060 
1 1 1    4    3   26 o  174.717   1.5537  4100.48   72.911  4027.92   93.019  4216.08  117.415  173.151   2.0001  177.132   2.4680 -3.980347 3.176666 
1 1 1    4    3   27 o  234.301   1.9362  7375.24  121.848  7280.89  179.163  7456.43  166.205  232.744   2.8660  235.549   2.6271 -2.804733 3.887861 
1 1 1    4    3   28 o  124.240   1.1754  2073.26   39.224  1989.94   60.489  2133.71   51.524  121.705   1.8505  126.032   1.5221 -4.327377 2.396020 
1 1 1    4    3   29 o  261.274   2.2493  9173.22  157.847  9078.38  221.769  9270.61  224.719  259.841   3.1776  262.577   3.1863 -2.735657 4.499990 
1 1 1    4    3   30 o  143.285   1.2044  2757.72   46.351  2735.93   65.210  2779.97   65.896  142.704   1.7013  143.848   1.7056 -1.143829 2.409029 
1 1 1    4    3   31 o  155.763   1.2913  3259.15   54.025  3225.06   75.941  3294.08   76.873  154.926   1.8250  156.576   1.8279 -1.649017 2.582990 
1 1 1    4    3   32 o   98.414   1.3180  1301.10   34.840  1266.85   48.619  1337.27   49.951   97.095   1.8643   99.757   1.8643 -2.662018 2.636487 
1 1 1    4    3   33 f  188.994   1.6750  4799.65   85.029  4746.58  108.950  4882.32  135.996  187.910   2.1587  190.531   2.6575 -2.620667 3.423733 
1 1 1    4    3   34 o   71.921   1.2776  694.947   24.679  669.562   31.445  735.662   39.824   70.586   1.6586   73.977   2.0043 -3.390808 2.601542 
1 1 1    4    3   35 o   19.832   1.0308   52.981   5.4720   50.466   8.7126   54.619   7.0318   19.303   1.6978   20.120   1.3083 -0.8168335 2.143407 
1 1 1    4    3   36 o   53.051   0.8152  378.045   11.616  372.435   16.368  383.737   16.487   52.650   1.1575   53.443   1.1486 -0.7930984 1.630639 
1 1 1    4    3   37 o   52.132   1.1059  365.164   15.486  340.527   19.124  412.086   26.392   50.335   1.4145   55.359   1.7750 -5.023876 2.269666 
1 1 1    4    3   38 o   78.899   1.0072  836.381   21.345  849.620   30.382  823.477   29.994   79.502   1.4228   78.269   1.4268 1.232925 2.014965 
1 1 1    4    3   39 o   45.758   0.8986  281.309   11.044  282.696   14.087  279.096   17.793   45.865   1.1435   45.562   1.4540 0.3025208 1.849764 
1 1 1    4    3   40 o   31.585   0.8712  134.030   7.3905  137.376   9.9353  129.885   11.058   31.971   1.1570   31.084   1.3245 0.8876781 1.758679 
1 1 1    4    3   41 o   75.634   0.8248  768.572   16.755  780.289   23.809  757.077   23.582   76.192   1.1634   75.050   1.1699 1.142197 1.649889 
1 1 1    4    3   42 o   46.842   0.9162  294.840   11.527  281.671   16.081  308.758   16.533   45.770   1.3081   47.921   1.2845 -2.151260 1.833328 
1 1 1    4    3   43 o   33.058   0.8292  146.848   7.3626  149.554   10.404  144.134   10.420   33.353   1.1614   32.742   1.1849 0.6106720 1.659187 
1 1 1    4    3   44 o   13.422   1.5740   24.579   5.5664   22.589   7.9235   26.519   7.8218   12.728   2.4059   13.857   2.1731 -1.128991 3.242023 
1 1 1    4    3   45 o   31.323   0.9221  131.890   7.7576  135.449   11.571  128.983   10.455   31.726   1.3579   30.964   1.2571 0.7620182 1.850498 
1 1 1    4    3   46 o   16.913   1.4157   38.778   6.3718   36.012   8.8065   41.817   9.2307   16.202   2.0710   17.490   2.0010 -1.287460 2.879763 
1 1 1    4    3   47 o   31.038   0.9420  129.534   7.8528  120.665   10.377  141.419   12.013   29.941   1.2904   32.408   1.3801 -2.467386 1.889357 
1 1 1    4    3   48 o   98.472   1.0526  1304.38   27.841  1289.24   39.255  1319.71   39.493   97.817   1.4941   98.968   1.4857 -1.151131 2.107067 
1 1 1    4    3   49 o   95.370   0.9421  1223.19   24.131  1228.48   34.243  1217.98   34.011   95.508   1.3349   95.099   1.3315 0.4085312 1.885451 
1 1 1    4    3   50 o   20.584   1.2101   57.239   6.6606   58.948   9.5363   55.612   9.3068   20.828   1.7201   20.224   1.7300 0.6035519 2.439544 
1 1 1    4    3   51 o   18.079   1.5242   44.399   7.3324   50.677   10.523   38.476   10.222   19.239   2.0690   16.681   2.3464 2.558184 3.128317 
1 1 1    4    3   52 f   33.437   1.0143  150.473   9.1092  142.839   13.886  156.240   12.069   32.526   1.5894   34.046   1.3198 -1.519703 2.065988 
1 1 1    4    3   53 o   37.689   0.9746  191.190   9.8655  185.800   13.197  198.016   14.853   37.120   1.3237   38.306   1.4436 -1.186028 1.958610 
1 1 1    4    3   54 f   29.644   1.0273  118.321   8.1791  110.085   11.542  126.630   11.593   28.510   1.5126   30.632   1.4090 -2.121126 2.067209 
1 1 1    4    3   55 o   33.094   1.0144  147.474   9.0167  149.402   13.125  145.750   12.408   33.262   1.4691   32.861   1.4059 0.4013481 2.033404 
1 1 1    4    3   56 o   32.095   1.0237  138.710   8.8243  141.349   12.328  135.938   12.636   32.358   1.4185   31.725   1.4830 0.6330795 2.052135 
1 1 1    4    3   57 o   23.639   1.5232   75.829   9.6200   86.839   13.310   63.788   13.920   25.219   1.9810   21.485   2.4563 3.733519 3.155566 
1 1 1    4    3   58 o   40.917   1.0172  225.544   11.179  224.548   16.661  226.359   15.076   40.748   1.5223   40.939   1.3711 -0.1907768 2.048703 
1 1 1    4    3   59 o   33.718   1.0892  153.313   9.8640  157.639   13.818  148.817   14.086   34.126   1.5075   33.144   1.5823 0.9819183 2.185446 
1 1 1    4    3   60 o   35.361   1.0719  168.735   10.181  162.947   14.375  174.559   14.421   34.661   1.5441   35.885   1.4962 -1.224678 2.150086 
1 1 1    4    3   61 o   23.390   1.4113   74.462   8.8249   84.612   11.716   61.150   13.417   24.848   1.7670   20.903   2.4354 3.944920 3.008922 
1 1 1    4    3   62 f   32.377   1.0552  141.707   9.1767  151.357   13.169  132.598   12.795   33.359   1.4697   31.208   1.5264 2.151079 2.118998 
1 1 1    4    3   63 o   9.6855   2.9967   13.482   8.5912   4.0568   11.608   24.900   12.776   8.0379   3.3172   12.843   3.5731 -4.805542 4.875561 
1 1 1    4    4    0 o  184.702   2.0879  4581.79  103.578  4492.12  144.708  4676.00  148.322  182.879   2.9460  186.584   2.9596 -3.705170 4.175952 
1 1 1    4    4    1 o  181.359   1.4520  4417.47   70.727  4412.25   99.966  4422.70  100.080  181.246   2.0535  181.460   2.0534 -0.2143097 2.904013 
1 1 1    4    4    2 o  227.594   1.7914  6957.12  109.509  7000.09  155.511  6914.86  154.237  228.284   2.5363  226.890   2.5309 1.393997 3.583051 
1 1 1    4    4    3 o   57.362   0.6613  441.894   10.188  436.743   13.779  448.108   15.133   57.026   0.8996   57.763   0.9754 -0.7370415 1.326875 
1 1 1    4    4    4 o  141.781   1.2799  2699.74   48.739  2630.92   75.920  2747.98   63.568  139.957   2.0196  143.040   1.6546 -3.082672 2.610848 
1 1 1    4    4    5 o  221.609   1.9146  6596.03  113.959  6633.75  180.815  6571.17  146.781  222.223   3.0294  221.183   2.4707 1.040634 3.909172 
1 1 1    4    4    6 o  480.174   4.5226 30981.81  583.286 30440.76  815.362 31548.91  834.763  475.828   6.3798  484.408   6.4159 -8.580414 9.047997 
1 1 1    4    4    7 o  423.632   3.9971 24111.37  454.807 24014.48  641.593 24209.22  644.808  422.692   5.6512  424.402   5.6567 -1.710083 7.995898 
1 1 1    4    4    8 o  563.772   4.3271 42703.84  655.226 42719.44  927.089 42688.27  926.169  563.746   6.1227  563.540   6.1189 0.2054443 8.656149 
1 1 1    4    4    9 o  417.887   3.2206 23457.56  361.486 23762.43  515.274 23162.10  507.256  420.543   4.5618  415.197   4.5486 5.345734 6.442057 
1 1 1    4    4   10 o   67.124   0.9102  605.104   16.410  617.170   21.953  589.821   24.706   67.790   1.2057   66.270   1.3880 1.519402 1.838521 
1 1 1    4    4   11 o  538.037   4.1322 38890.87  597.147 38432.45  838.493 39362.66  850.625  534.758   5.8378  541.190   5.8519 -6.432007 8.265868 
1 1 1    4    4   12 o  205.359   1.8841  5663.97  103.920  5776.08  141.124  5531.15  153.598  207.375   2.5337  202.927   2.8181 4.447754 3.789620 
1 1 1    4    4   13 o  286.666   2.5807 11037.67  198.705 10948.02  296.183 11111.04  267.955  285.473   3.8628  287.600   3.4688 -2.126648 5.191717 
1 1 1    4    4   14 o  477.582   3.6741 30640.25  471.289 30907.53  669.733 30378.06  663.321  479.585   5.1993  475.460   5.1942 4.125275 7.349299 
1 1 1    4    4   15 o  436.219   4.1173 25565.42  482.405 25538.60  609.959 25610.22  788.282  435.935   5.2094  436.448   6.7245 -0.5130310 8.506244 
1 1 1    4    4   16 o  335.766   4.5114 15148.91  406.857 15011.66  467.154 15580.00  827.935  334.210   5.2041  340.218   9.0604 -6.007660 10.44863 
1 1 1    4    4   17 o  522.059   4.0124 36621.02  562.618 36239.91  790.034 37013.18  801.412  519.200   5.6653  524.707   5.6865 -5.507874 8.026926 
1 1 1    4    4   18 o   21.866   0.9368   64.211   5.5017   59.554   7.0173   71.641   8.8632   21.021   1.2485   23.051   1.4387 -2.030325 1.904927 
1 1 1    4    4   19 o  129.429   1.2686  2249.89   44.099  2316.24   59.976  2171.80   65.067  131.320   1.7004  127.157   1.9052 4.162857 2.553624 
1 1 1    4    4   20 f  227.098   1.7959  6927.42  109.545  7122.29  157.436  6744.53  152.521  230.248   2.5458  224.059   2.5344 6.188889 3.592216 
1 1 1    4    4   21 f  201.128   1.7597  5433.80   95.061  5500.93  135.599  5368.93  133.304  202.345   2.4950  199.903   2.4827 2.442001 3.519810 
1 1 1    4    4   22 o  228.163   1.8859  6993.22  115.574  7011.07  171.426  6978.34  156.485  228.415   2.7942  227.893   2.5565 0.5221863 3.787281 
1 1 1    4    4   23 f  170.211   1.5163  3891.68   69.319  3923.21   89.972  3845.62  108.734  170.887   1.9602  169.173   2.3930 1.713974 3.093391 
1 1 1    4    4   24 o  120.403   1.3708  1947.21   44.332  1870.84   57.288  2061.22   69.993  118.011   1.8074  123.863   2.1039 -5.852272 2.773630 
1 1 1    4    4   25 o  223.519   1.9437  6711.92  116.689  6740.49  184.996  6693.04  150.377  223.933   3.0758  223.177   2.5086 0.7558746 3.969074 
1 1 1    4    4   26 o  123.917   1.0679  2062.41   35.545  2042.36   49.936  2083.00   50.606  123.307   1.5078  124.527   1.5130 -1.220589 2.136024 
1 1 1    4    4   27 o  157.379   1.5903  3327.14   67.225  3288.81   94.209  3366.91   95.955  156.449   2.2420  158.295   2.2569 -1.846008 3.181180 
1 1 1    4    4   28 o  182.038   1.7009  4451.74   83.165  4478.87  125.189  4430.32  111.265  182.553   2.5532  181.575   2.2814 0.9782715 3.424015 
1 1 1    4    4   29 o   51.003   0.7811  349.375   10.700  345.324   14.869  353.724   15.409   50.705   1.0918   51.318   1.1179 -0.6128082 1.562625 
1 1 1    4    4   30 o   17.548   1.1004   41.522   5.1599   32.306   7.2471   50.997   7.3484   15.403   1.7848   19.432   1.4177 -4.028898 2.279311 
1 1 1    4    4   31 o  140.661   1.2409  2657.78   46.883  2654.74   63.376  2661.47   69.676  140.566   1.6786  140.737   1.8432 -0.1712036 2.493058 
1 1 1    4    4   32 f   79.316   0.8966  844.979   19.101  828.458   24.463  870.784   30.573   78.532   1.1598   80.508   1.4139 -1.976120 1.828699 
1 1 1    4    4   33 o  121.731   1.2335  1990.72   40.331  2022.70   54.533  1952.10   59.920  122.688   1.6549  120.519   1.8511 2.169479 2.482956 
1 1 1    4    4   34 o   46.380   0.9028  288.951   11.247  284.201   16.780  292.825   15.154   45.991   1.3584   46.686   1.2085 -0.6949043 1.818193 
1 1 1    4    4   35 o   75.859   0.8501  772.999   17.320  784.878   23.514  758.911   25.608   76.433   1.1454   75.155   1.2686 1.278450 1.709198 
1 1 1    4    4   36 f   13.116   1.7294   23.529   5.9438   18.969   8.5602   27.774   8.2596   11.636   2.7775   14.196   2.2406 -2.559472 3.568538 
1 1 1    4    4   37 o   27.404   0.9037  100.888   6.6519   92.183   10.384  106.947   8.6627   26.145   1.4848   28.212   1.1432 -2.066797 1.873924 
1 1 1    4    4   38 f   89.055   0.9181  1065.50   21.960  1092.87   32.902  1043.52   29.490   90.169   1.3586   88.116   1.2461 2.053200 1.843449 
1 1 1    4    4   39 o   86.194   0.9382  998.219   21.721  1018.82   31.077  978.547   30.371   87.058   1.3290   85.320   1.3253 1.737671 1.876896 
1 1 1    4    4   40 o  115.570   1.1329  1795.06   35.168  1802.44   49.880  1787.78   49.591  115.762   1.6042  115.291   1.6015 0.4714127 2.266762 
1 1 1    4    4   41 o   59.967   0.9390  483.221   15.125  469.812   21.259  496.964   21.522   59.112   1.3390   60.797   1.3180 -1.685234 1.878818 
1 1 1    4    4   42 o  125.393   1.1007  2113.51   37.071  2087.72   52.075  2140.01   52.784  124.570   1.5564  126.120   1.5582 -1.549995 2.202373 
1 1 1    4    4   43 o   45.357   0.8008  276.427   9.7558  273.750   14.317  278.748   13.329   45.122   1.1814   45.536   1.0898 -0.4140739 1.607282 
1 1 1    4    4   44 o   51.297   0.7681  353.597   10.583  353.099   14.925  354.101   15.008   51.246   1.0843   51.318   1.0888 -0.7239914E-01 1.536656 
1 1 1    4    4   45 o   44.522   0.8344  266.415   9.9781  263.627   14.003  269.291   14.222   44.271   1.1776   44.743   1.1835 -0.4727097 1.669524 
1 1 1    4    4   46 o   72.108   0.8247  698.902   15.973  691.474   22.542  706.391   22.637   71.692   1.1707   72.462   1.1631 -0.7699890 1.650244 
1 1 1    4    4   47 o   15.763   1.4060   33.727   5.8904   30.083   8.2766   37.467   8.3851   14.767   2.1499   16.550   1.9222 -1.783028 2.883874 
1 1 1    4    4   48 o   50.165   0.9591  338.432   12.923  330.076   16.859  350.338   20.124   49.516   1.2677   50.992   1.4693 -1.475780 1.940585 
1 1 1    4    4   49 o   48.495   0.8622  316.223   11.230  329.999   17.043  305.652   14.929   49.504   1.2818   47.654   1.1664 1.850124 1.733041 
1 1 1    4    4   50 o   17.894   1.3582   43.389   6.4792   43.882   9.2587   42.916   9.0702   17.911   1.9564   17.714   1.9380 0.1974907 2.753826 
1 1 1    4    4   51 o   16.609   1.7210   37.655   7.5658   23.194   10.103   56.120   11.416   12.779   2.9955   20.243   2.1318 -7.463634 3.676649 
1 1 1    4    4   52 f   41.201   1.0680  228.543   11.819  226.014   16.816  231.011   16.614   40.919   1.5301   41.373   1.4951 -0.4546089 2.139239 
1 1 1    4    4   53 o   34.616   0.9460  161.266   8.7952  173.564   12.784  150.211   12.120   35.874   1.3267   33.371   1.3522 2.503323 1.894330 
1 1 1    4    4   54 o   23.886   1.1832   76.895   7.5913   82.469   10.977   71.785   10.510   24.639   1.6685   22.972   1.7157 1.666855 2.393259 
1 1 1    4    4   55 o   27.749   1.1200  103.747   8.3478  106.537   11.474  100.609   12.167   28.039   1.5294   27.222   1.6722 0.8177299 2.266113 
1 1 1    4    4   56 o   19.785   1.6221   53.285   8.5446   62.235   12.445   45.302   11.753   21.280   2.2095   18.058   2.4892 3.222000 3.328369 
1 1 1    4    4   57 o   30.063   1.0753  121.768   8.6828  126.975   12.359  116.694   12.201   30.652   1.5012   29.338   1.5539 1.313896 2.160611 
1 1 1    4    4   58 o   14.739   2.1094   30.154   8.1127   21.857   11.925   37.301   11.069   12.345   3.4584   16.301   2.6166 -3.955565 4.336724 
1 1 1    4    4   59 o   17.672   1.7613   42.820   8.2489   43.890   12.356   41.960   11.079   17.661   2.6897   17.328   2.4488 0.3334026 3.637450 
1 1 1    4    4   60 o   23.519   1.5006   75.314   9.4297   68.104   13.269   82.671   13.403   22.165   2.2605   24.503   2.0555 -2.338606 3.055347 
1 1 1    4    4   61 o   36.046   1.0615  175.519   10.277  162.277   14.305  189.645   14.775   34.547   1.5417   37.367   1.4721 -2.820065 2.131608 
1 1 1    4    4   62 o   8.6041   3.0742   9.3340   8.9855   18.621   12.703   0.0333   12.712   11.351   3.6613   7.7235   3.3400 3.627912 4.955843 
1 1 1    4    4   63 o   25.748   1.3539   90.455   9.3303   99.378   13.316   81.850   13.077   26.809   1.8609   24.252   2.0260 2.556322 2.750948 
1 1 1    5    0  -63 o   46.124   2.0185  297.362   24.897  297.362   24.897  297.362   24.897   46.124   2.0185   46.124   2.0185 -0.000000 0.000000 
1 1 1    5    0  -62 o   6.9906   3.8416   10.519   10.407   10.519   10.407   10.519   10.407   6.9906   3.8416   6.9906   3.8416 -0.000000 0.000000 
1 1 1    5    0  -61 o   37.373   1.6021  191.399   16.014  191.399   16.014  191.399   16.014   37.373   1.6021   37.373   1.6021 -0.000000 0.000000 
1 1 1    5    0  -60 o   13.611   3.5260   30.466   11.140   30.466   11.140   30.466   11.140   13.611   3.5260   13.611   3.5260 -0.000000 0.000000 
1 1 1    5    0  -59 o   8.9437   4.7051   17.131   14.994   17.131   14.994   17.131   14.994   8.9437   4.7051   8.9437   4.7051 -0.000000 0.000000 
1 1 1    5    0  -58 o   66.888   1.4202  605.613   25.488  605.613   25.488  605.613   25.488   66.888   1.4202   66.888   1.4202 -0.000000 0.000000 
1 1 1    5    0  -57 o   6.7748   3.7463   8.9817   9.9668   8.9817   9.9668   8.9817   9.9668   6.7748   3.7463   6.7748   3.7463 0.000000 0.000000 
1 1 1    5    0  -56 o   26.855   1.6125   98.572   11.535   98.572   11.535   98.572   11.535   26.855   1.6125   26.855   1.6125 -0.000000 0.000000 
1 1 1    5    0  -55 o   20.962   1.8733   60.934   10.353   60.934   10.353   60.934   10.353   20.962   1.8733   20.962   1.8733 -0.000000 0.000000 
1 1 1    5    0  -54 o   4.2094   2.8265  -3.3504   9.0241  -3.3504   9.0241  -3.3504   9.0241   4.2094   2.8265   4.2094   2.8265 -0.000000 0.000000 
1 1 1    5    0  -53 o   84.819   1.3943  971.114   31.746  971.114   31.746  971.114   31.746   84.819   1.3943   84.819   1.3943 0.000000 0.000000 
1 1 1    5    0  -52 o   36.958   1.4258  184.980   14.106  184.980   14.106  184.980   14.106   36.958   1.4258   36.958   1.4258 0.000000 0.000000 
1 1 1    5    0  -51 o   67.073   1.4786  607.299   26.608  607.299   26.608  607.299   26.608   67.073   1.4786   67.073   1.4786 0.000000 0.000000 
1 1 1    5    0  -50 o   20.206   1.7495   56.301   9.3309   56.301   9.3309   56.301   9.3309   20.206   1.7495   20.206   1.7495 0.000000 0.000000 
1 1 1    5    0  -49 o   17.042   1.9483   40.700   8.6167   40.700   8.6167   40.700   8.6167   17.042   1.9483   17.042   1.9483 0.000000 0.000000 
1 1 1    5    0  -48 o   29.372   1.5008  117.087   11.770  117.087   11.770  117.087   11.770   29.372   1.5008   29.372   1.5008 -0.000000 0.000000 
1 1 1    5    0  -47 o   7.6836   3.5009   11.648   7.8405   11.648   7.8405   11.648   7.8405   7.6836   3.5009   7.6836   3.5009 0.000000 0.000000 
1 1 1    5    0  -46 f   63.171   1.1293  537.104   19.147  537.104   19.147  537.104   19.147   63.171   1.1293   63.171   1.1293 -0.000000 0.000000 
1 1 1    5    0  -45 o   51.649   1.0816  359.079   14.989  359.079   14.989  359.079   14.989   51.649   1.0816   51.649   1.0816 -0.000000 0.000000 
1 1 1    5    0  -44 o   30.869   1.4974  129.071   12.349  129.071   12.349  129.071   12.349   30.869   1.4974   30.869   1.4974 -0.000000 0.000000 
1 1 1    5    0  -43 o   57.610   1.1032  446.526   17.056  446.526   17.056  446.526   17.056   57.610   1.1032   57.610   1.1032 0.000000 0.000000 
1 1 1    5    0  -42 o   18.135   1.6154   45.265   7.7245   45.265   7.7245   45.265   7.7245   18.135   1.6154   18.135   1.6154 0.000000 0.000000 
1 1 1    5    0  -41 o  187.156   2.1561  4715.72  108.351  4715.72  108.351  4715.72  108.351  187.156   2.1561  187.156   2.1561 -0.000000 0.000000 
1 1 1    5    0  -40 o   8.3147   4.0088   13.723   10.389   13.723   10.389   13.723   10.389   8.3147   4.0088   8.3147   4.0088 -0.000000 0.000000 
1 1 1    5    0  -39 o   90.881   1.2574  1110.44   30.680  1110.44   30.680  1110.44   30.680   90.881   1.2574   90.881   1.2574 -0.000000 0.000000 
1 1 1    5    0  -38 f   38.048   1.0916  194.968   11.135  194.968   11.135  194.968   11.135   38.048   1.0916   38.048   1.0916 -0.000000 0.000000 
1 1 1    5    0  -37 o  157.040   1.8480  3316.26   77.925  3316.26   77.925  3316.26   77.925  157.040   1.8480  157.040   1.8480 -0.000000 0.000000 
1 1 1    5    0  -36 o  115.854   1.6013  1804.58   49.808  1804.58   49.808  1804.58   49.808  115.854   1.6013  115.854   1.6013 0.000000 0.000000 
1 1 1    5    0  -35 o   22.450   1.5106   68.625   9.0138   68.625   9.0138   68.625   9.0138   22.450   1.5106   22.450   1.5106 0.000000 0.000000 
1 1 1    5    0  -34 o   87.741   1.7428  1035.57   41.036  1035.57   41.036  1035.57   41.036   87.741   1.7428   87.741   1.7428 -0.000000 0.000000 
1 1 1    5    0  -33 o  145.905   1.8946  2861.63   74.217  2861.63   74.217  2861.63   74.217  145.905   1.8946  145.905   1.8946 -0.000000 0.000000 
1 1 1    5    0  -32 o   93.438   2.2374  1175.12   56.079  1175.12   56.079  1175.12   56.079   93.438   2.2374   93.438   2.2374 -0.000000 0.000000 
1 1 1    5    0  -31 o  177.289   2.8814  4227.60  137.128  4227.60  137.128  4227.60  137.128  177.289   2.8814  177.289   2.8814 -0.000000 0.000000 
1 1 1    5    0  -30 o  475.395   5.1906 30426.03  662.591 30426.03  662.591 30426.03  662.591  475.395   5.1906  475.395   5.1906 0.000000 0.000000 
1 1 1    5    0  -29 o  288.830   3.1969 11215.44  247.937 11215.44  247.937 11215.44  247.937  288.830   3.1969  288.830   3.1969 -0.000000 0.000000 
1 1 1    5    0  -28 o   18.824   1.5836   48.598   7.8762   48.598   7.8762   48.598   7.8762   18.824   1.5836   18.824   1.5836 -0.000000 0.000000 
1 1 1    5    0  -27 o  334.322   3.6775 15027.66  330.132 15027.66  330.132 15027.66  330.132  334.322   3.6775  334.322   3.6775 0.000000 0.000000 
1 1 1    5    0  -26 o  107.689   2.3449  1560.09   67.753  1560.09   67.753  1560.09   67.753  107.689   2.3449  107.689   2.3449 0.000000 0.000000 
1 1 1    5    0  -25 o  611.711   7.2940 50413.15  1198.02 50413.15  1198.02 50413.15  1198.02  611.711   7.2940  611.711   7.2940 -0.000000 0.000000 
1 1 1    5    0  -24 o   91.451   2.1021  1125.16   51.573  1125.16   51.573  1125.16   51.573   91.451   2.1021   91.451   2.1021 -0.000000 0.000000 
1 1 1    5    0  -23 o  102.803   1.3133  1420.09   36.248  1420.09   36.248  1420.09   36.248  102.803   1.3133  102.803   1.3133 0.000000 0.000000 
1 1 1    5    0  -22 o   88.359   1.4672  1049.43   34.798  1049.43   34.798  1049.43   34.798   88.359   1.4672   88.359   1.4672 0.000000 0.000000 
1 1 1    5    0  -21 o  297.094   3.5928 11863.38  286.602 11863.38  286.602 11863.38  286.602  297.094   3.5928  297.094   3.5928 -0.000000 0.000000 
1 1 1    5    0  -20 o   22.362   1.3976   67.940   8.3188   67.940   8.3188   67.940   8.3188   22.362   1.3976   22.362   1.3976 0.000000 0.000000 
1 1 1    5    0  -19 o  955.978   11.362 123090.50  2916.43 123090.50  2916.43 123090.50  2916.43  955.978   11.362  955.978   11.362 -0.000000 0.000000 
1 1 1    5    0  -18 o  292.239   3.9514 11478.44  310.026 11478.44  310.026 11478.44  310.026  292.239   3.9514  292.239   3.9514 -0.000000 0.000000 
1 1 1    5    0  -17 o   80.423   1.5797  869.640   34.094  869.640   34.094  869.640   34.094   80.423   1.5797   80.423   1.5797 -0.000000 0.000000 
1 1 1    5    0  -15 o  650.389   7.0640 56860.14  1233.67 56860.14  1233.67 56860.14  1233.67  650.389   7.0640  650.389   7.0640 0.000000 0.000000 
1 1 1    5    0  -14 o  338.021   3.7077 15352.26  336.532 15352.26  336.532 15352.26  336.532  338.021   3.7077  338.021   3.7077 -0.000000 0.000000 
1 1 1    5    0  -13 o  297.038   3.2706 11854.83  260.866 11854.83  260.866 11854.83  260.866  297.038   3.2706  297.038   3.2706 0.000000 0.000000 
1 1 1    5    0  -12 o  130.708   1.5506  2295.40   54.420  2295.40   54.420  2295.40   54.420  130.708   1.5506  130.708   1.5506 0.000000 0.000000 
1 1 1    5    0  -11 o  136.291   1.6044  2495.70   58.712  2495.70   58.712  2495.70   58.712  136.291   1.6044  136.291   1.6044 -0.000000 0.000000 
1 1 1    5    0  -10 o  123.467   1.6220  2048.34   53.768  2048.34   53.768  2048.34   53.768  123.467   1.6220  123.467   1.6220 -0.000000 0.000000 
1 1 1    5    0   -9 o  108.312   1.8828  1577.00   54.738  1577.00   54.738  1577.00   54.738  108.312   1.8828  108.312   1.8828 0.000000 0.000000 
1 1 1    5    0   -8 o  133.166   1.7216  2382.80   61.555  2382.80   61.555  2382.80   61.555  133.166   1.7216  133.166   1.7216 -0.000000 0.000000 
1 1 1    5    0   -7 o   61.802   1.1502  513.483   19.077  513.483   19.077  513.483   19.077   61.802   1.1502   61.802   1.1502 0.000000 0.000000 
1 1 1    5    0   -6 o  495.760   6.6094 33051.25  879.731 33051.25  879.731 33051.25  879.731  495.760   6.6094  495.760   6.6094 -0.000000 0.000000 
1 1 1    5    0   -5 o  460.940   6.1493 28569.74  761.008 28569.74  761.008 28569.74  761.008  460.940   6.1493  460.940   6.1493 0.000000 0.000000 
1 1 1    5    0   -4 o  283.233   3.4208 10780.66  260.147 10780.66  260.147 10780.66  260.147  283.233   3.4208  283.233   3.4208 0.000000 0.000000 
1 1 1    5    0   -3 o  381.106   4.1623 19519.65  425.943 19519.65  425.943 19519.65  425.943  381.106   4.1623  381.106   4.1623 0.000000 0.000000 
1 1 1    5    0   -2 f  224.308   2.7385  6761.12  164.930  6761.12  164.930  6761.12  164.930  224.308   2.7385  224.308   2.7385 0.000000 0.000000 
1 1 1    5    0   -1 o   87.924   1.1334  1038.75   26.755  1038.75   26.755  1038.75   26.755   87.924   1.1334   87.924   1.1334 0.000000 0.000000 
1 1 1    5    0    0 f  715.678   8.5071 68926.99  1634.76 68926.99  1634.76 68926.99  1634.76  715.678   8.5071  715.678   8.5071 -0.000000 0.000000 
1 1 1    5    0    1 o  438.086   4.7733 25796.27  561.502 25796.27  561.502 25796.27  561.502  438.086   4.7733  438.086   4.7733 -0.000000 0.000000 
1 1 1    5    0    2 f  125.148   1.6269  2104.52   54.667  2104.52   54.667  2104.52   54.667  125.148   1.6269  125.148   1.6269 -0.000000 0.000000 
1 1 1    5    0    3 o  656.950   7.1285 58044.17  1257.50 58044.17  1257.50 58044.17  1257.50  656.950   7.1285  656.950   7.1285 -0.000000 0.000000 
1 1 1    5    0    4 o  571.457   6.2096 43906.49  952.852 43906.49  952.852 43906.49  952.852  571.457   6.2096  571.457   6.2096 -0.000000 0.000000 
1 1 1    5    0    5 o   78.911   1.2924  836.950   27.376  836.950   27.376  836.950   27.376   78.911   1.2924   78.911   1.2924 -0.000000 0.000000 
1 1 1    5    0    6 o  182.690   2.2662  4484.71  111.161  4484.71  111.161  4484.71  111.161  182.690   2.2662  182.690   2.2662 -0.000000 0.000000 
1 1 1    5    0    7 o   41.139   1.1363  227.811   12.534  227.811   12.534  227.811   12.534   41.139   1.1363   41.139   1.1363 0.000000 0.000000 
1 1 1    5    0    8 o  236.861   2.6335  7538.06  167.492  7538.06  167.492  7538.06  167.492  236.861   2.6335  236.861   2.6335 0.000000 0.000000 
1 1 1    5    0    9 o   74.742   1.2600  750.887   25.278  750.887   25.278  750.887   25.278   74.742   1.2600   74.742   1.2600 0.000000 0.000000 
1 1 1    5    0   10 o  215.816   2.6449  6258.43  153.266  6258.43  153.266  6258.43  153.266  215.816   2.6449  215.816   2.6449 0.000000 0.000000 
1 1 1    5    0   11 o  567.650   6.7575 43315.93  1029.95 43315.93  1029.95 43315.93  1029.95  567.650   6.7575  567.650   6.7575 -0.000000 0.000000 
1 1 1    5    0   12 o  445.250   4.8519 26640.46  580.088 26640.46  580.088 26640.46  580.088  445.250   4.8519  445.250   4.8519 0.000000 0.000000 
1 1 1    5    0   13 o  541.969   5.8889 39475.75  857.008 39475.75  857.008 39475.75  857.008  541.969   5.8889  541.969   5.8889 0.000000 0.000000 
1 1 1    5    0   14 o  139.279   2.3213  2607.47   86.782  2607.47   86.782  2607.47   86.782  139.279   2.3213  139.279   2.3213 0.000000 0.000000 
1 1 1    5    0   15 o  377.261   5.0536 19129.62  511.867 19129.62  511.867 19129.62  511.867  377.261   5.0536  377.261   5.0536 0.000000 0.000000 
1 1 1    5    0   16 o  120.973   2.0739  1967.17   67.342  1967.17   67.342  1967.17   67.342  120.973   2.0739  120.973   2.0739 0.000000 0.000000 
1 1 1    5    0   17 o  363.603   4.3618 17766.99  425.836 17766.99  425.836 17766.99  425.836  363.603   4.3618  363.603   4.3618 0.000000 0.000000 
1 1 1    5    0   18 o   15.655   1.8313   34.243   7.4246   34.243   7.4246   34.243   7.4246   15.655   1.8313   15.655   1.8313 -0.000000 0.000000 
1 1 1    5    0   19 o  444.696   4.8506 26579.19  579.208 26579.19  579.208 26579.19  579.208  444.696   4.8506  444.696   4.8506 0.000000 0.000000 
1 1 1    5    0   20 o  102.252   1.8577  1405.62   50.982  1405.62   50.982  1405.62   50.982  102.252   1.8577  102.252   1.8577 0.000000 0.000000 
1 1 1    5    0   21 o  124.127   1.8492  2070.76   61.620  2070.76   61.620  2070.76   61.620  124.127   1.8492  124.127   1.8492 -0.000000 0.000000 
1 1 1    5    0   22 o   39.877   1.3333  214.285   14.244  214.285   14.244  214.285   14.244   39.877   1.3333   39.877   1.3333 0.000000 0.000000 
1 1 1    5    0   23 o   70.130   1.8582  661.987   34.947  661.987   34.947  661.987   34.947   70.130   1.8582   70.130   1.8582 0.000000 0.000000 
1 1 1    5    0   24 o  381.013   4.1723 19519.41  426.862 19519.41  426.862 19519.41  426.862  381.013   4.1723  381.013   4.1723 0.000000 0.000000 
1 1 1    5    0   25 o   54.390   1.7851  398.628   26.014  398.628   26.014  398.628   26.014   54.390   1.7851   54.390   1.7851 -0.000000 0.000000 
1 1 1    5    0   26 o   24.381   1.4369   80.667   9.3348   80.667   9.3348   80.667   9.3348   24.381   1.4369   24.381   1.4369 -0.000000 0.000000 
1 1 1    5    0   27 o   43.577   1.3354  255.762   15.597  255.762   15.597  255.762   15.597   43.577   1.3354   43.577   1.3354 0.000000 0.000000 
1 1 1    5    0   28 o  133.912   1.6102  2409.69   57.898  2409.69   57.898  2409.69   57.898  133.912   1.6102  133.912   1.6102 0.000000 0.000000 
1 1 1    5    0   29 o   36.465   1.0839  179.059   10.594  179.059   10.594  179.059   10.594   36.465   1.0839   36.465   1.0839 0.000000 0.000000 
1 1 1    5    0   30 o  180.049   2.9184  4359.89  141.050  4359.89  141.050  4359.89  141.050  180.049   2.9184  180.049   2.9184 0.000000 0.000000 
1 1 1    5    0   31 o  126.013   1.8995  2134.65   64.256  2134.65   64.256  2134.65   64.256  126.013   1.8995  126.013   1.8995 0.000000 0.000000 
1 1 1    5    0   32 o  122.365   1.6592  2012.53   54.510  2012.53   54.510  2012.53   54.510  122.365   1.6592  122.365   1.6592 -0.000000 0.000000 
1 1 1    5    0   33 o   9.7017   2.9345   15.675   6.6710   15.675   6.6710   15.675   6.6710   9.7017   2.9345   9.7017   2.9345 0.000000 0.000000 
1 1 1    5    0   34 o   29.382   1.3388  116.687   10.516  116.687   10.516  116.687   10.516   29.382   1.3388   29.382   1.3388 0.000000 0.000000 
1 1 1    5    0   35 o   20.137   1.4402   55.309   7.6979   55.309   7.6979   55.309   7.6979   20.137   1.4402   20.137   1.4402 0.000000 0.000000 
1 1 1    5    0   36 o   6.9711   3.4000   9.6198   7.5031   9.6198   7.5031   9.6198   7.5031   6.9711   3.4000   6.9711   3.4000 0.000000 0.000000 
1 1 1    5    0   38 f   12.454   2.6174   23.421   7.7094   23.421   7.7094   23.421   7.7094   12.454   2.6174   12.454   2.6174 0.000000 0.000000 
1 1 1    5    0   39 o  112.965   1.4397  1715.87   43.667  1715.87   43.667  1715.87   43.667  112.965   1.4397  112.965   1.4397 0.000000 0.000000 
1 1 1    5    0   40 o   84.003   1.5082  949.435   34.003  949.435   34.003  949.435   34.003   84.003   1.5082   84.003   1.5082 0.000000 0.000000 
1 1 1    5    0   41 o   44.401   1.2074  265.522   14.375  265.522   14.375  265.522   14.375   44.401   1.2074   44.401   1.2074 0.000000 0.000000 
1 1 1    5    0   42 o   20.074   1.9286   55.701   10.178   55.701   10.178   55.701   10.178   20.074   1.9286   20.074   1.9286 -0.000000 0.000000 
1 1 1    5    0   43 o  131.114   1.6123  2313.31   56.761  2313.31   56.761  2313.31   56.761  131.114   1.6123  131.114   1.6123 0.000000 0.000000 
1 1 1    5    0   44 o   53.572   1.0969  386.238   15.768  386.238   15.768  386.238   15.768   53.572   1.0969   53.572   1.0969 0.000000 0.000000 
1 1 1    5    0   45 o   38.595   1.5106  201.345   15.605  201.345   15.605  201.345   15.605   38.595   1.5106   38.595   1.5106 -0.000000 0.000000 
1 1 1    5    0   46 f   69.747   1.1567  654.700   21.656  654.700   21.656  654.700   21.656   69.747   1.1567   69.747   1.1567 0.000000 0.000000 
1 1 1    5    0   47 o   20.223   1.6480   56.174   8.8147   56.174   8.8147   56.174   8.8147   20.223   1.6480   20.223   1.6480 -0.000000 0.000000 
1 1 1    5    0   48 o   34.306   1.3209  159.097   12.130  159.097   12.130  159.097   12.130   34.306   1.3209   34.306   1.3209 0.000000 0.000000 
1 1 1    5    0   49 o   14.459   2.9755   31.657   10.207   31.657   10.207   31.657   10.207   14.459   2.9755   14.459   2.9755 0.000000 0.000000 
1 1 1    5    0   50 o   18.890   1.8335   49.499   9.1016   49.499   9.1016   49.499   9.1016   18.890   1.8335   18.890   1.8335 0.000000 0.000000 
1 1 1    5    0   51 o   10.640   3.4284   19.516   8.6513   19.516   8.6513   19.516   8.6513   10.640   3.4284   10.640   3.4284 -0.000000 0.000000 
1 1 1    5    0   52 o   3.5160   2.4683  -9.4856   8.9192  -9.4856   8.9192  -9.4856   8.9192   3.5160   2.4683   3.5160   2.4683 0.000000 0.000000 
1 1 1    5    0   53 o   7.3297   3.6804   10.927   8.9018   10.927   8.9018   10.927   8.9018   7.3297   3.6804   7.3297   3.6804 -0.000000 0.000000 
1 1 1    5    0   54 o   10.365   3.6839   19.409   9.3432   19.409   9.3432   19.409   9.3432   10.365   3.6839   10.365   3.6839 -0.000000 0.000000 
1 1 1    5    0   55 o   79.188   1.8804  851.340   39.943  851.340   39.943  851.340   39.943   79.188   1.8804   79.188   1.8804 0.000000 0.000000 
1 1 1    5    0   56 o   20.008   2.1079   56.148   11.040   56.148   11.040   56.148   11.040   20.008   2.1079   20.008   2.1079 0.000000 0.000000 
1 1 1    5    0   57 o   12.265   3.9316   26.275   11.423   26.275   11.423   26.275   11.423   12.265   3.9316   12.265   3.9316 0.000000 0.000000 
1 1 1    5    0   58 o   5.9793   3.5818   5.5125   10.277   5.5125   10.277   5.5125   10.277   5.9793   3.5818   5.9793   3.5818 0.000000 0.000000 
1 1 1    5    0   59 o   22.909   1.9232   72.936   11.642   72.936   11.642   72.936   11.642   22.909   1.9232   22.909   1.9232 -0.000000 0.000000 
1 1 1    5    0   60 o   46.687   1.2971  295.729   16.237  295.729   16.237  295.729   16.237   46.687   1.2971   46.687   1.2971 0.000000 0.000000 
1 1 1    5    0   61 o   50.376   1.3089  344.901   17.684  344.901   17.684  344.901   17.684   50.376   1.3089   50.376   1.3089 -0.000000 0.000000 
1 1 1    5    0   62 o   35.087   1.4418  168.601   13.535  168.601   13.535  168.601   13.535   35.087   1.4418   35.087   1.4418 0.000000 0.000000 
1 1 1    5    0   63 o   11.410   5.2273   30.380   17.490   30.380   17.490   30.380   17.490   11.410   5.2273   11.410   5.2273 0.000000 0.000000 
1 1 1    5    1  -63 o   6.8511   2.6997   4.1348   7.3080   2.6009   10.198   5.7539   10.478   7.3956   3.0853   8.0811   3.2172 -0.6854782 4.457515 
1 1 1    5    1  -62 o   5.7408   2.5180  -1.3810   7.4449  -4.9461   10.165   2.7442   10.934   6.2197   2.8192   7.6722   3.1972 -1.452493 4.262594 
1 1 1    5    1  -61 o   27.776   1.3158  104.484   9.8161  111.793   13.759   96.906   14.009   28.573   1.8020   26.541   1.9794 2.032162 2.676817 
1 1 1    5    1  -60 o   24.387   1.4983   80.893   9.7663   74.325   14.443   86.425   13.256   23.154   2.3553   25.093   1.9830 -1.939524 3.078903 
1 1 1    5    1  -59 o   20.995   1.6720   60.125   9.3503   66.112   13.066   53.840   13.386   21.889   2.2547   19.639   2.6019 2.250299 3.442853 
1 1 1    5    1  -58 o   21.365   1.6257   62.131   9.2592   59.920   13.059   64.367   13.130   20.821   2.3778   21.609   2.2976 -0.7874794 3.306466 
1 1 1    5    1  -57 o   17.440   1.6597   41.513   7.6807   37.859   11.013   44.973   10.717   16.457   2.5759   18.041   2.2615 -1.583473 3.427779 
1 1 1    5    1  -56 o   24.513   1.2021   80.998   7.9145   85.167   11.329   77.023   11.061   25.034   1.6949   23.793   1.7430 1.240849 2.431167 
1 1 1    5    1  -55 o   20.544   1.3541   57.190   7.4300   60.572   10.639   53.969   10.381   21.058   1.9015   19.854   1.9729 1.203772 2.740075 
1 1 1    5    1  -54 o   24.084   1.2112   78.371   7.8101   70.553   10.834   86.829   11.269   22.763   1.7864   25.287   1.6685 -2.523911 2.444424 
1 1 1    5    1  -53 o   28.684   1.0649  110.785   8.2044   98.701   11.993  121.413   11.248   26.974   1.6635   30.001   1.3959 -3.026779 2.171599 
1 1 1    5    1  -52 o   13.475   1.9527   25.078   6.8617   36.392   9.6250   13.385   9.7848   16.222   2.2713   9.9905   3.2125 6.231839 3.934277 
1 1 1    5    1  -51 o   24.130   1.2769   78.647   8.2458   76.125   11.850   81.015   11.481   23.657   1.8805   24.428   1.7617 -0.7709446 2.576767 
1 1 1    5    1  -50 o   10.613   2.4453   15.884   6.8271   9.2247   9.5649   22.801   9.7478   8.8743   3.1716   12.691   2.9204 -3.816533 4.311350 
1 1 1    5    1  -49 o   18.233   1.4916   45.095   7.2405   43.757   10.305   46.400   10.176   17.852   2.1954   18.408   2.0954 -0.5560722 3.034866 
1 1 1    5    1  -48 o   42.713   0.8606  245.278   9.8733  247.405   13.191  242.569   14.888   42.880   1.1453   42.447   1.3059 0.4333611 1.736997 
1 1 1    5    1  -47 o   56.499   0.7951  429.061   12.065  425.825   16.985  432.357   17.142   56.262   1.1240   56.691   1.1257 -0.4297295 1.590808 
1 1 1    5    1  -46 o   75.689   0.8353  770.015   16.982  770.218   23.988  769.811   24.044   75.667   1.1803   75.646   1.1834 0.2033997E-01 1.671391 
1 1 1    5    1  -45 o   34.949   0.8585  164.165   8.0588  158.312   10.750  171.676   12.177   34.309   1.1665   35.723   1.2691 -1.413975 1.723790 
1 1 1    5    1  -44 o   83.499   0.9359  937.068   20.990  943.460   29.723  930.709   29.645   83.749   1.3214   83.181   1.3269 0.5684509 1.872596 
1 1 1    5    1  -43 o   27.493   0.9407  101.583   6.9468  104.278   9.9523   99.022   9.7009   27.846   1.3307   27.135   1.3310 0.7108250 1.882107 
1 1 1    5    1  -42 o   58.938   0.7937  466.713   12.565  464.056   18.396  469.036   17.203   58.756   1.1657   59.074   1.0842 -0.3181496 1.591966 
1 1 1    5    1  -41 o  137.559   1.1786  2543.37   43.548  2571.70   61.974  2515.74   61.205  138.263   1.6688  136.751   1.6663 1.512253 2.358310 
1 1 1    5    1  -40 o   21.545   1.2276   62.592   7.0745   58.542   9.8644   66.880   10.151   20.784   1.7843   22.232   1.7132 -1.448124 2.473655 
1 1 1    5    1  -39 o   71.307   0.8736  683.121   16.731  692.409   23.764  673.990   23.561   71.777   1.2326   70.815   1.2387 0.9613800 1.747516 
1 1 1    5    1  -38 o   73.564   0.7999  726.975   15.805  733.239   22.444  720.813   22.260   73.870   1.1312   73.241   1.1316 0.6285858 1.600007 
1 1 1    5    1  -37 o  103.822   1.0530  1448.21   29.364  1462.32   38.016  1427.33   46.236  104.312   1.3569  103.037   1.6707 1.274704 2.152258 
1 1 1    5    1  -36 o  166.172   1.5014  3711.08   67.010  3751.21   95.381  3671.97   94.164  167.005   2.1264  165.232   2.1218 1.772812 3.003885 
1 1 1    5    1  -35 o  148.603   1.2995  2967.02   51.869  2925.17   69.714  3018.91   77.632  147.523   1.7594  149.855   1.9288 -2.332382 2.610678 
1 1 1    5    1  -34 f  132.886   1.7770  2373.25   63.425  2360.41   99.994  2381.89   82.040  132.453   2.8107  133.096   2.2949 -0.6422272 3.628626 
1 1 1    5    1  -33 o  102.610   1.1613  1414.34   32.004  1429.08   45.502  1399.91   45.024  103.129   1.6427  102.071   1.6423 1.057999 2.322815 
1 1 1    5    1  -32 o  174.433   1.4868  4087.77   69.660  4061.11   93.972  4120.28  103.785  173.836   2.0126  175.086   2.2069 -1.249527 2.986851 
1 1 1    5    1  -31 o   50.321   0.9793  340.119   13.237  317.950   18.323  364.316   19.143   48.650   1.4022   52.077   1.3686 -3.426983 1.959407 
1 1 1    5    1  -30 o  187.595   1.6590  4727.82   83.592  4652.99  117.102  4805.57  119.363  186.071   2.3431  189.097   2.3501 -3.025696 3.318638 
1 1 1    5    1  -29 o  152.046   1.2154  3105.19   49.636  3032.80   71.992  3170.78   68.528  150.248   1.7840  153.632   1.6607 -3.383545 2.437310 
1 1 1    5    1  -28 o   35.320   0.7975  167.542   7.5653  168.827   10.143  165.932   11.357   35.454   1.0652   35.148   1.2031 0.3059082 1.606841 
1 1 1    5    1  -27 o  173.764   1.4142  4055.73   66.003  4083.66   93.787  4028.31   92.904  174.344   2.0028  173.159   1.9976 1.185211 2.828701 
1 1 1    5    1  -26 o   96.973   1.3743  1263.12   35.794  1328.40   57.877  1222.69   45.550   99.435   2.1671   95.403   1.7776 4.031731 2.802897 
1 1 1    5    1  -25 o  189.521   1.8673  4825.23   95.055  4723.44  118.768  5006.61  158.544  187.494   2.3584  192.999   3.0585 -5.504898 3.862160 
1 1 1    5    1  -24 o  240.223   1.8948  7752.59  122.256  7886.82  174.765  7623.96  171.085  242.250   2.6860  238.180   2.6743 4.070496 3.790304 
1 1 1    5    1  -23 o  278.150   2.1758 10394.08  162.549 10431.33  230.449 10357.19  229.314  278.595   3.0797  277.603   3.0755 0.9915771 4.352378 
1 1 1    5    1  -22 o  201.703   1.6116  5464.70   87.309  5427.05  122.931  5503.02  124.023  200.989   2.2772  202.391   2.2815 -1.401749 3.223467 
1 1 1    5    1  -21 o  110.547   1.1937  1641.32   35.443  1659.75   50.583  1623.56   49.676  111.161   1.6942  109.943   1.6823 1.218559 2.387502 
1 1 1    5    1  -20 o   34.118   0.9687  156.330   8.8765  148.632   12.499  164.163   12.609   33.266   1.3988   34.961   1.3427 -1.695023 1.938983 
1 1 1    5    1  -19 f  221.848   1.7564  6610.39  104.660  6674.29  148.904  6547.99  147.136  222.905   2.4871  220.786   2.4812 2.119003 3.513099 
1 1 1    5    1  -18 o  331.847   2.5755 14792.05  229.560 14825.71  324.988 14758.52  324.308  332.190   3.6424  331.436   3.6431 0.7535400 5.151601 
1 1 1    5    1  -17 o  721.102   6.7720 69917.69  1311.62 69328.76  1844.28 70520.40  1865.73  717.622   9.5684  723.758   9.5976 -6.135620 13.55242 
1 1 1    5    1  -16 o  538.680   4.5356 38988.51  656.238 39504.56  855.355 38250.14  1023.14  542.143   5.8741  533.361   7.1421 8.782043 9.247382 
1 1 1    5    1  -15 o  171.801   1.9661  3964.15   90.725  3917.75  127.425  4011.85  129.203  170.785   2.7779  172.824   2.7834 -2.039017 3.932421 
1 1 1    5    1  -14 o  214.092   2.9380  6156.66  168.947  6337.00  344.129  6099.39  193.925  217.145   5.9004  213.088   3.3883 4.056625 6.804067 
1 1 1    5    1  -13 o  456.720   3.5152 28020.59  431.219 28011.80  609.885 28029.37  609.787  456.589   4.9731  456.732   4.9708 -0.1433105 7.031416 
1 1 1    5    1  -12 o  354.548   2.6354 16884.06  250.965 16902.32  342.028 16862.76  369.384  354.716   3.5900  354.293   3.8817 0.4237061 5.287291 
1 1 1    5    1  -11 o  553.134   4.2477 41105.56  631.065 41118.23  826.678 41087.87  976.948  553.138   5.5643  552.856   6.5791 0.2816162 8.616622 
1 1 1    5    1  -10 o   84.133   0.9705  950.605   21.932  939.818   27.531  969.340   36.282   83.653   1.2253   84.956   1.5900 -1.302635 2.007382 
1 1 1    5    1   -9 o  113.879   1.6955  1741.74   51.859  1977.00  111.657  1677.03   58.559  121.312   3.4268  111.742   1.9511 9.569847 3.943327 
1 1 1    5    1   -8 o  460.311   4.6413 28473.49  573.835 28859.57  884.603 28193.00  754.003  463.224   7.1099  457.931   6.1303 5.293549 9.387843 
1 1 1    5    1   -7 o  130.007   1.2549  2269.95   43.818  2248.38   58.465  2297.59   66.187  129.385   1.6824  130.792   1.8841 -1.406799 2.525901 
1 1 1    5    1   -6 o  530.845   4.2629 37867.72  607.813 38152.00  827.150 37534.04  896.144  532.695   5.7811  528.304   6.3154 4.390320 8.561898 
1 1 1    5    1   -5 o  354.625   2.8654 16893.95  272.928 16796.70  368.195 17012.57  406.614  353.559   3.8773  355.803   4.2548 -2.244751 5.756434 
1 1 1    5    1   -4 o  271.912   2.2159  9931.20  161.833  9816.87  238.413 10028.90  220.382  270.312   3.2838  273.225   3.0031 -2.912903 4.449897 
1 1 1    5    1   -3 o  395.725   3.3439 21039.89  355.422 21057.77  562.159 21027.99  458.746  395.760   5.2885  395.554   4.3179 0.2062378 6.827367 
1 1 1    5    1   -2 o  397.770   3.0681 21256.65  327.787 21119.15  461.444 21396.70  465.708  396.405   4.3340  399.001   4.3456 -2.595459 6.137383 
1 1 1    5    1   -1 o  219.924   1.7338  6496.26  102.417  6462.29  144.377  6530.67  145.306  219.335   2.4507  220.492   2.4536 -1.157333 3.467871 
1 1 1    5    1    0 o  108.194   1.0239  1572.14   29.756  1556.77   41.852  1587.86   42.315  107.662   1.4473  108.731   1.4489 -1.069756 2.047947 
1 1 1    5    1    1 o  230.790   1.8142  7154.12  112.459  7176.16  159.331  7132.24  158.753  231.129   2.5666  230.421   2.5651 0.7084351 3.628645 
1 1 1    5    1    2 o  334.539   2.5905 15034.03  232.764 14794.07  325.759 15284.34  332.706  331.813   3.6552  337.266   3.6728 -5.452484 5.181686 
1 1 1    5    1    3 o  102.096   0.9797  1399.91   26.865  1434.91   42.981  1377.47   34.417  103.362   1.5482  101.273   1.2653 2.088600 1.999442 
1 1 1    5    1    4 o  360.104   2.7833 17420.05  269.203 17068.49  375.664 17791.16  385.967  356.400   3.9244  363.865   3.9493 -7.465240 5.567544 
1 1 1    5    1    5 o  298.027   2.3164 11930.53  185.423 12002.47  263.296 11859.75  261.172  298.895   3.2797  297.113   3.2728 1.782135 4.633280 
1 1 1    5    1    6 o  206.299   1.6348  5716.03   90.584  5772.92  128.831  5660.42  127.391  207.313   2.3137  205.283   2.3104 2.029877 3.269735 
1 1 1    5    1    7 o  413.064   3.1839 22921.23  353.234 23234.92  503.729 22617.74  495.470  415.813   4.5103  410.254   4.4965 5.558960 6.368767 
1 1 1    5    1    8 o  114.339   1.0730  1755.77   32.952  1774.39   42.850  1728.82   51.549  114.943   1.3880  113.455   1.6916 1.487122 2.188151 
1 1 1    5    1    9 o   65.921   0.9649  583.611   17.085  584.333   24.143  582.886   24.181   65.961   1.3628   65.879   1.3666 0.8171844E-01 1.929931 
1 1 1    5    1   10 o  1035.16   9.1576 144200.50  2546.11 146500.91  4460.03 143088.30  3101.09  1041.20   15.948  1030.63   11.203 10.57556 19.48953 
1 1 1    5    1   11 o  259.643   2.3457  9054.58  163.586  9049.98  245.266  9058.27  219.556  259.556   3.5181  259.682   3.1478 -0.1261292 4.720816 
1 1 1    5    1   12 o  370.624   3.5088 18452.09  349.290 18110.54  488.480 18809.45  499.652  367.129   4.9538  374.145   4.9720 -7.016144 7.018625 
1 1 1    5    1   13 o  533.709   4.4911 38269.88  643.800 38829.65  1028.25 37908.95  825.668  537.423   7.1235  531.111   5.7880 6.312317 9.178484 
1 1 1    5    1   14 o   70.620   0.8849  669.764   16.784  684.841   23.962  655.240   23.517   71.410   1.2493   69.849   1.2535 1.560280 1.769765 
1 1 1    5    1   15 o  300.417   2.8628 12122.42  231.001 12184.36  293.199 12021.03  375.091  301.167   3.6246  299.112   4.6688 2.054199 5.910679 
1 1 1    5    1   16 o  487.058   3.9127 31870.03  511.860 31935.74  694.026 31791.66  757.949  487.486   5.3006  486.352   5.8023 1.133240 7.858892 
1 1 1    5    1   17 o  269.145   2.1057  9729.43  152.222  9936.50  218.211  9533.14  212.454  271.978   2.9871  266.401   2.9692 5.577026 4.211752 
1 1 1    5    1   18 o  297.066   2.3150 11853.31  184.714 11894.92  261.770 11812.05  260.683  297.561   3.2753  296.523   3.2731 1.038330 4.630436 
1 1 1    5    1   19 f  139.386   1.8107  2609.49   67.791  2614.12   87.597  2602.58  107.040  139.504   2.3378  139.188   2.8632 0.3154755 3.696401 
1 1 1    5    1   20 o  183.624   1.9384  4528.95   95.601  4334.72  123.052  4824.71  151.845  179.631   2.5504  189.501   2.9833 -9.870163 3.924884 
1 1 1    5    1   21 o  147.228   1.7327  2911.50   68.518  2978.79   98.181  2847.60   95.666  148.906   2.4548  145.590   2.4464 3.315765 3.465718 
1 1 1    5    1   22 o  236.544   2.0459  7516.47  129.984  7544.46  205.996  7497.95  167.554  236.932   3.2370  236.230   2.6408 0.7024994 4.177528 
1 1 1    5    1   23 o  148.130   1.5070  2947.33   59.958  2935.09   97.624  2954.74   75.976  147.800   2.4592  148.308   1.9073 -0.5082855 3.112127 
1 1 1    5    1   24 o  105.209   1.1601  1486.72   32.783  1485.50   46.381  1487.93   46.344  105.159   1.6421  105.245   1.6394 -0.8630371E-01 2.320416 
1 1 1    5    1   25 o  134.221   1.1370  2419.64   40.988  2454.33   58.443  2386.06   57.500  135.171   1.6097  133.278   1.6063 1.892929 2.274055 
1 1 1    5    1   26 o  193.974   1.9056  5054.73   99.281  5102.58  141.195  5007.93  139.628  194.856   2.6978  193.041   2.6930 1.815491 3.811864 
1 1 1    5    1   27 o  152.043   1.4550  3105.18   59.421  3064.04   88.428  3139.06   80.235  151.012   2.1801  152.857   1.9543 -1.844604 2.927831 
1 1 1    5    1   28 o   85.319   0.8354  977.665   19.144  1009.02   27.459  948.010   26.703   86.674   1.1795   84.012   1.1834 2.661392 1.670849 
1 1 1    5    1   29 o  106.573   1.0470  1525.51   29.971  1502.56   38.424  1561.16   47.894  105.764   1.3526  107.801   1.6541 -2.036957 2.136762 
1 1 1    5    1   30 o   87.504   1.1181  1028.47   26.279  1035.21   39.724  1023.22   35.043   87.781   1.6848   87.275   1.4949 0.5066223 2.252433 
1 1 1    5    1   31 o  205.626   1.9007  5681.39  104.977  5762.56  158.997  5618.65  139.773  207.020   2.8595  204.444   2.5454 2.575378 3.828263 
1 1 1    5    1   32 o   98.608   1.0581  1306.09   28.025  1247.19   47.114  1338.34   34.864   96.341   1.8207   99.813   1.3005 -3.472527 2.237462 
1 1 1    5    1   33 o   33.098   1.0079  147.147   8.9601  152.975   11.917  139.567   13.591   33.745   1.3148   32.230   1.5700 1.515038 2.047819 
1 1 1    5    1   34 f   53.817   0.7349  389.000   10.623  378.537   14.877  399.883   15.172   53.084   1.0434   54.561   1.0353 -1.476368 1.469906 
1 1 1    5    1   35 o   56.315   0.8045  425.977   12.169  430.619   17.173  421.295   17.246   56.616   1.1293   55.999   1.1466 0.6166000 1.609382 
1 1 1    5    1   36 o   66.554   0.8034  594.988   14.362  594.068   19.452  596.091   21.294   66.497   1.0891   66.608   1.1903 -0.1105652 1.613355 
1 1 1    5    1   37 o   25.532   0.9493   87.573   6.5097   86.849   9.2704   88.276   9.1430   25.384   1.3647   25.595   1.3346 -0.2102928 1.908821 
1 1 1    5    1   38 o  153.298   1.6760  3159.96   69.009  3202.68  106.271  3128.82   90.745  154.199   2.5659  152.468   2.2159 1.731110 3.390292 
1 1 1    5    1   39 o  112.635   1.0148  1704.66   30.702  1701.80   43.383  1707.53   43.455  112.511   1.4356  112.701   1.4356 -0.1893158 2.030222 
1 1 1    5    1   40 o   43.340   0.7682  252.340   8.9425  253.924   12.227  250.519   13.112   43.470   1.0473   43.175   1.1307 0.2945900 1.541179 
1 1 1    5    1   41 o   61.796   0.7741  513.026   12.848  509.230   18.086  516.893   18.254   61.555   1.0939   62.017   1.0959 -0.4612846 1.548399 
1 1 1    5    1   42 o  153.363   1.4062  3162.97   57.925  3148.34   81.756  3177.72   82.083  152.903   1.9907  153.615   1.9894 -0.7119293 2.814395 
1 1 1    5    1   43 o   27.228   0.9054   99.626   6.6215   99.625   9.3913   99.626   9.3375   27.219   1.2846   27.219   1.2772 -0.3108978E-03 1.811471 
1 1 1    5    1   44 o  124.346   1.2062  2079.27   40.284  2082.57   57.035  2075.97   56.905  124.361   1.7075  124.164   1.7063 0.1969376 2.413936 
1 1 1    5    1   45 o   71.630   0.8559  689.604   16.468  676.227   22.009  706.619   24.821   70.909   1.1556   72.474   1.2751 -1.564606 1.720839 
1 1 1    5    1   46 o   67.543   0.8982  613.277   16.295  615.640   23.075  610.926   23.016   67.640   1.2701   67.380   1.2717 0.2596283 1.797365 
1 1 1    5    1   47 o   47.390   0.8221  301.885   10.465  294.263   15.215  308.729   14.417   46.763   1.2113   47.906   1.1204 -1.142582 1.650057 
1 1 1    5    1   48 o   10.995   2.1142   16.884   6.0165   16.089   8.2669   17.779   8.7728   10.694   2.8330   11.227   2.8916 -0.5333700 4.048123 
1 1 1    5    1   49 o   54.663   0.9316  401.822   13.677  409.386   20.884  396.141   18.099   55.126   1.4105   54.246   1.2422 0.8802071 1.879491 
1 1 1    5    1   50 o   55.555   0.8176  414.951   12.200  407.070   17.108  423.104   17.401   54.993   1.1583   56.066   1.1555 -1.072914 1.636091 
1 1 1    5    1   51 o   53.593   0.8316  386.223   11.970  391.234   16.992  381.285   16.866   53.905   1.1736   53.215   1.1800 0.6905632 1.664250 
1 1 1    5    1   52 o   44.839   0.8601  270.420   10.359  281.465   14.797  259.803   14.507   45.712   1.2052   43.915   1.2299 1.796978 1.721936 
1 1 1    5    1   53 o   17.732   1.4725   42.723   6.9493   44.414   9.8083   41.018   9.8475   17.982   2.0684   17.252   2.1734 0.7307529 3.000369 
1 1 1    5    1   54 o   30.848   1.2249  128.269   10.149  136.345   14.872  121.229   13.885   31.696   1.7538   29.885   1.7374 1.811201 2.468619 
1 1 1    5    1   55 o   48.862   0.8802  321.265   11.552  321.796   16.338  320.734   16.337   48.855   1.2451   48.774   1.2471 0.8096313E-01 1.762197 
1 1 1    5    1   56 o   39.459   1.1047  209.761   11.708  205.433   17.002  213.665   16.146   38.979   1.6239   39.770   1.5115 -0.7912216 2.218495 
1 1 1    5    1   57 o   36.493   1.2026  179.539   11.788  179.173   16.573  179.914   16.769   36.386   1.6958   36.458   1.7125 -0.7240295E-01 2.410069 
1 1 1    5    1   58 o   29.969   1.1363  121.075   9.1467  127.685   12.552  113.591   13.356   30.730   1.5208   28.905   1.7283 1.824345 2.302104 
1 1 1    5    1   59 o   50.542   0.9618  344.133   13.056  340.414   18.428  347.882   18.500   50.188   1.3670   50.737   1.3576 -0.5496788 1.926593 
1 1 1    5    1   60 o   28.952   1.1112  113.136   8.6409  103.877   12.160  122.580   12.281   27.612   1.6471   30.032   1.5275 -2.419750 2.246438 
1 1 1    5    1   61 o   35.005   1.0310  165.410   9.6935  163.650   13.588  167.234   13.832   34.729   1.4567   35.105   1.4670 -0.3756409 2.067424 
1 1 1    5    1   62 o   15.006   2.1558   31.629   8.4394   35.818   11.859   27.330   12.013   15.732   2.9138   13.585   3.3203 2.147224 4.417556 
1 1 1    5    1   63 o   15.016   2.1869   31.846   8.5610   30.374   12.213   33.268   12.004   14.280   3.2564   15.028   3.0774 -0.7476234 4.480517 
1 1 1    5    2  -63 o   23.482   1.4766   75.462   9.2653   74.352   13.105   76.572   13.102   23.074   2.1388   23.432   2.1042 -0.3584995 3.000341 
1 1 1    5    2  -62 o   24.593   1.2565   82.198   8.2720   85.159   11.751   79.290   11.647   24.891   1.7692   23.998   1.8205 0.8936672 2.538525 
1 1 1    5    2  -61 o   43.488   1.0842  255.486   12.664  254.497   17.722  256.519   18.103   43.279   1.5246   43.442   1.5515 -0.1626472 2.175215 
1 1 1    5    2  -60 o   6.7981   2.6973   3.6197   7.3418   9.0236   10.249  -2.0764   10.522   8.8560   3.2662   6.8013   2.9881 2.054727 4.426819 
1 1 1    5    2  -59 o   32.711   1.5031  144.841   13.206  150.802   18.087  138.036   19.326   33.208   2.0377   31.692   2.2858 1.516058 3.062175 
1 1 1    5    2  -58 o   14.163   1.9882   27.775   7.3552   13.187   10.528   41.686   10.280   9.9875   3.3393   17.345   2.2604 -7.357469 4.032412 
1 1 1    5    2  -57 o   24.424   1.4321   80.833   9.3533   76.010   13.221   85.666   13.234   23.556   2.1120   25.046   1.9836 -1.490038 2.897465 
1 1 1    5    2  -56 o   32.690   1.0199  143.899   8.9551  146.850   12.705  140.985   12.624   32.980   1.4343   32.312   1.4546 0.6677399 2.042832 
1 1 1    5    2  -55 o   20.449   1.3616   56.673   7.4359   61.878   10.480   51.396   10.552   21.294   1.8508   19.351   2.0620 1.942030 2.770798 
1 1 1    5    2  -54 o   37.826   0.9740  192.602   9.8952  183.276   13.883  202.232   14.107   36.852   1.4026   38.717   1.3566 -1.865002 1.951336 
1 1 1    5    2  -53 o   56.264   0.8448  425.839   12.767  420.146   17.983  431.624   18.128   55.839   1.1990   56.598   1.1925 -0.7585907 1.691056 
1 1 1    5    2  -52 f   67.089   0.9958  605.729   17.944  602.419   25.472  608.990   25.284   66.832   1.4190   67.199   1.4008 -0.3671265 1.993952 
1 1 1    5    2  -51 o   64.098   1.1458  553.147   19.727  552.993   29.948  553.265   26.218   63.984   1.7426   64.043   1.5242 -0.5926132E-01 2.315131 
1 1 1    5    2  -50 o   37.736   0.8737  191.492   8.8559  200.764   12.504  182.160   12.544   38.616   1.2056   36.778   1.2699 1.837753 1.751018 
1 1 1    5    2  -49 o   6.6969   2.7614   1.8368   8.0354  -1.5060   11.477   5.0508   11.254   7.3001   3.1652   8.3719   3.3338 -1.071793 4.597048 
1 1 1    5    2  -48 o   25.381   1.0258   86.648   6.9930   90.412   9.6644   82.511   10.131   25.872   1.3959   24.696   1.5350 1.175236 2.074787 
1 1 1    5    2  -47 o   30.613   0.8918  125.991   7.3325  131.001   10.343  120.929   10.397   31.199   1.2342   29.973   1.2915 1.226456 1.786406 
1 1 1    5    2  -46 o   67.604   0.8061  614.274   14.636  596.180   20.409  633.433   21.001   66.573   1.1414   68.622   1.1394 -2.048622 1.612765 
1 1 1    5    2  -45 o   30.740   0.8648  127.008   7.1399  123.088   10.022  131.048   10.174   30.249   1.2336   31.212   1.2136 -0.9637260 1.730486 
1 1 1    5    2  -44 o   99.528   1.0310  1331.67   27.562  1319.98   38.625  1343.80   39.341   99.040   1.4520   99.928   1.4658 -0.8878479 2.063203 
1 1 1    5    2  -43 f   78.723   0.8385  832.756   17.730  840.963   25.190  824.699   24.959   79.087   1.1858   78.319   1.1865 0.7685165 1.677513 
1 1 1    5    2  -42 o   29.598   0.9024  117.715   7.1739  123.292   10.281  112.422   10.015   30.282   1.2640   28.916   1.2896 1.366451 1.805720 
1 1 1    5    2  -41 o   20.286   1.1348   55.482   6.1585   48.611   8.5933   62.736   8.8303   18.931   1.7084   21.543   1.5361 -2.611620 2.297481 
1 1 1    5    2  -40 o   98.258   1.0780  1297.44   28.450  1271.44   37.768  1331.55   43.256   97.242   1.4460   99.500   1.6186 -2.257301 2.170437 
1 1 1    5    2  -39 o   67.414   0.9717  610.635   17.595  601.209   24.723  620.310   25.047   66.875   1.3764   67.930   1.3728 -1.054237 1.943960 
1 1 1    5    2  -38 o   73.373   0.8841  723.257   17.424  718.262   24.638  728.256   24.644   73.106   1.2547   73.613   1.2464 -0.5071869 1.768608 
1 1 1    5    2  -37 o   45.627   0.9299  279.677   11.396  279.721   16.103  279.633   16.131   45.622   1.3141   45.615   1.3166 0.7225037E-02 1.860193 
1 1 1    5    2  -36 o  149.765   1.5401  3014.67   61.952  3044.62   88.010  2985.26   87.221  150.445   2.1780  148.971   2.1799 1.473969 3.081486 
1 1 1    5    2  -35 o   82.700   1.0750  918.797   23.878  888.276   31.217  961.834   37.069   81.304   1.4295   84.596   1.6314 -3.291794 2.169116 
1 1 1    5    2  -34 o   55.735   0.7706  417.240   11.537  417.300   15.625  417.169   17.106   55.736   1.0437   55.726   1.1429 0.1021957E-01 1.547758 
1 1 1    5    2  -33 o  113.070   1.0093  1717.31   30.652  1739.25   43.629  1695.92   43.072  113.778   1.4277  112.352   1.4273 1.426170 2.018789 
1 1 1    5    2  -32 o   87.007   1.0391  1016.85   24.282  1030.61   30.999  995.012   39.064   87.589   1.3177   86.054   1.6901 1.534576 2.143056 
1 1 1    5    2  -31 o  113.177   1.1057  1720.54   33.613  1748.90   43.780  1679.82   52.459  114.099   1.4286  111.814   1.7468 2.285187 2.256548 
1 1 1    5    2  -30 f  136.561   1.5134  2505.25   55.511  2481.90   84.003  2523.35   73.962  135.895   2.3014  137.037   2.0095 -1.141830 3.055248 
1 1 1    5    2  -29 o  295.770   2.4133 11756.53  191.715 11717.60  283.508 11789.33  260.237  295.154   3.5762  296.094   3.2723 -0.9396667 4.847375 
1 1 1    5    2  -28 o  124.154   1.1767  2070.36   39.240  2000.62   54.480  2145.55   56.565  122.035   1.6621  126.378   1.6664 -4.342659 2.353634 
1 1 1    5    2  -27 o   57.011   1.0660  436.544   16.323  439.208   21.002  432.478   25.941   57.182   1.3674   56.740   1.7022 0.4428062 2.183428 
1 1 1    5    2  -26 o  129.132   1.5543  2239.92   53.908  2266.21   76.737  2214.30   75.748  129.872   2.1999  128.376   2.1968 1.495941 3.108929 
1 1 1    5    2  -25 o   85.727   1.0825  987.069   24.925  1028.95   38.597  957.109   32.645   87.521   1.6419   84.413   1.4398 3.108101 2.183805 
1 1 1    5    2  -24 o  208.567   1.8201  5843.65  101.961  5755.04  130.452  5982.76  163.457  206.960   2.3468  210.988   2.8844 -4.028076 3.718484 
1 1 1    5    2  -23 o  174.347   1.5497  4082.98   72.568  4051.09  102.094  4115.55  103.167  173.647   2.1890  175.023   2.1946 -1.375946 3.099666 
1 1 1    5    2  -22 o  288.767   2.2545 11202.66  174.856 11269.50  248.118 11136.70  246.459  289.572   3.1901  287.861   3.1876 1.710968 4.509778 
1 1 1    5    2  -21 o  186.760   1.8420  4685.16   92.401  4571.60  148.533  4756.85  118.017  184.450   2.9981  188.171   2.3351 -3.721069 3.800182 
1 1 1    5    2  -20 o   67.076   1.1436  604.265   20.604  653.971   33.178  573.062   26.287   69.777   1.7703   65.320   1.4983 4.457321 2.319249 
1 1 1    5    2  -19 o   84.599   0.8114  961.176   18.437  962.455   26.061  959.895   26.086   84.654   1.1462   84.541   1.1488 0.1126556 1.622791 
1 1 1    5    2  -18 f  328.978   2.4528 14537.48  216.734 14320.24  292.560 14801.71  322.663  326.482   3.3363  331.913   3.6194 -5.431488 4.922465 
1 1 1    5    2  -17 o  244.225   1.9206  8011.03  125.988  7893.09  163.324  8184.33  197.982  242.411   2.5085  246.833   2.9863 -4.422318 3.900027 
1 1 1    5    2  -16 o  368.969   3.1275 18287.28  309.941 18250.20  399.149 18343.58  491.883  368.564   4.0321  369.467   4.9567 -0.9026794 6.389585 
1 1 1    5    2  -15 o  510.543   4.5325 35021.43  621.536 35167.36  763.414 34734.55  1070.41  511.544   5.5563  508.205   7.8419 3.338654 9.610803 
1 1 1    5    2  -14 o  413.768   3.4959 22998.14  388.515 22988.71  614.162 23004.43  501.643  413.599   5.5285  413.787   4.5136 -0.1878967 7.137058 
1 1 1    5    2  -13 o  259.375   2.2243  9035.72  154.954  9050.33  245.186  9026.00  199.947  259.563   3.5169  259.226   2.8717 0.3376770 4.540426 
1 1 1    5    2  -12 o  271.063   2.2117  9868.43  161.025  9828.58  217.433  9916.83  239.630  270.503   2.9927  271.710   3.2836 -1.206329 4.442730 
1 1 1    5    2  -11 o  214.191   1.6951  6161.57   97.521  6137.06  137.585  6186.32  138.248  213.758   2.3964  214.614   2.3983 -0.8560944 3.390373 
1 1 1    5    2  -10 o  226.364   1.8641  6881.94  113.334  6939.54  169.014  6834.88  152.771  227.298   2.7684  225.581   2.5214 1.717026 3.744569 
1 1 1    5    2   -9 o  344.201   2.7836 15913.68  257.346 15760.53  379.366 16044.24  350.259  342.502   4.1239  345.583   3.7735 -3.080750 5.589776 
1 1 1    5    2   -8 o  225.945   2.1818  6856.83  132.405  7169.29  272.580  6760.33  151.477  230.991   4.3935  224.345   2.5138 6.646210 5.061801 
1 1 1    5    2   -7 o  158.106   1.8181  3357.36   77.205  3369.48  134.330  3351.38   94.344  158.376   3.1579  157.961   2.2237 0.4144745 3.862236 
1 1 1    5    2   -6 o  334.571   3.3946 15038.13  305.050 15017.83  570.695 15046.24  360.940  334.196   6.3579  334.638   4.0158 -0.4417725 7.519891 
1 1 1    5    2   -5 o  264.064   2.2603  9365.98  160.310  9221.39  250.954  9465.66  208.365  261.985   3.5664  265.450   2.9225 -3.465485 4.610830 
1 1 1    5    2   -4 o   30.825   0.6324  127.609   5.2355  134.185   7.8726  122.394   7.0104   31.609   0.9273   30.189   0.8646 1.420719 1.267816 
1 1 1    5    2   -3 o  118.806   1.1034  1895.66   35.209  1864.88   49.373  1927.51   50.224  117.835   1.5600  119.798   1.5609 -1.962425 2.206783 
1 1 1    5    2   -2 o  539.250   4.1410 39076.91  599.781 39339.61  852.318 38819.21  844.178  540.886   5.8668  537.299   5.8496 3.587341 8.284781 
1 1 1    5    2   -1 o   65.641   0.7773  578.657   13.704  579.093   20.584  578.310   18.365   65.665   1.1671   65.621   1.0420 0.4408264E-01 1.564561 
1 1 1    5    2    0 o  261.254   2.0413  9167.62  143.239  9076.09  201.206  9261.67  203.963  259.926   2.8820  262.569   2.8921 -2.643616 4.082955 
1 1 1    5    2    1 o  277.473   2.1625 10341.40  161.165 10593.32  231.448 10104.27  224.551  280.807   3.0687  274.249   3.0484 6.557831 4.325495 
1 1 1    5    2    2 o  214.891   1.6973  6202.20   97.966  6195.51  138.470  6208.91  138.620  214.764   2.4005  214.996   2.4005 -0.2321930 3.394833 
1 1 1    5    2    3 o  467.284   3.5947 29337.67  451.170 29685.86  643.034 29000.08  633.182  469.938   5.0945  464.480   5.0754 5.458191 7.191214 
1 1 1    5    2    4 o  486.649   3.7412 31820.42  489.008 32055.21  694.988 31590.20  688.187  488.321   5.2988  484.768   5.2854 3.553619 7.484206 
1 1 1    5    2    5 o  304.843   2.3686 12482.34  193.936 12504.98  274.450 12459.76  274.085  305.092   3.3492  304.539   3.3508 0.5522461 4.737622 
1 1 1    5    2    6 o  433.758   3.3404 25275.92  389.174 25268.93  550.035 25282.91  550.716  433.623   4.7227  433.743   4.7272 -0.1196289 6.682047 
1 1 1    5    2    7 o  243.676   2.0938  7975.23  137.037  8131.73  179.180  7754.69  212.703  246.045   2.7113  240.261   3.2961 5.784073 4.267968 
1 1 1    5    2    8 o  314.507   2.6734 13286.35  225.831 13357.74  292.595 13181.17  355.171  315.331   3.4547  313.215   4.2219 2.115570 5.455167 
1 1 1    5    2    9 o   86.715   1.1297  1009.86   26.312  990.180   45.011  1020.08   32.429   85.863   1.9517   87.152   1.3854 -1.288689 2.393432 
1 1 1    5    2   10 o  170.648   1.5095  3910.98   69.188  4028.20  111.363  3837.28   88.297  173.179   2.3942  169.029   1.9449 4.150009 3.084562 
1 1 1    5    2   11 o  288.834   2.3499 11204.97  182.298 11366.96  273.007 11074.62  244.896  290.892   3.4942  287.134   3.1754 3.758240 4.721543 
1 1 1    5    2   12 o  140.514   1.4249  2651.68   53.776  2673.13   76.397  2630.63   75.710  141.078   2.0162  139.952   2.0141 1.125946 2.849826 
1 1 1    5    2   13 o  557.302   4.6863 41729.95  701.483 41794.74  1110.14 41686.89  905.067  557.537   7.4133  556.927   6.0505 0.6101074 9.569009 
1 1 1    5    2   14 o  236.977   2.0431  7542.46  130.040  7732.58  208.652  7421.70  166.285  239.928   3.2378  235.065   2.6337 4.863342 4.173714 
1 1 1    5    2   15 o  446.784   3.5941 26815.62  431.306 26543.83  580.061 27151.68  645.013  444.459   4.8590  449.493   5.3426 -5.034393 7.221758 
1 1 1    5    2   16 o  311.195   2.6509 13007.80  221.570 13072.82  314.074 12943.39  312.625  311.944   3.7486  310.395   3.7499 1.548096 5.302188 
1 1 1    5    2   17 o  441.659   3.9317 26207.98  466.398 25326.84  683.860 26974.24  637.728  434.051   5.8659  447.987   5.3000 -13.93549 7.905628 
1 1 1    5    2   18 f  333.961   3.1738 14983.35  284.689 14985.53  360.082 14979.72  464.949  333.950   4.0145  333.822   5.1856 0.1283569 6.557922 
1 1 1    5    2   19 o  289.506   2.6088 11259.10  202.856 11192.79  271.094 11343.47  305.794  288.618   3.4971  290.535   3.9187 -1.916595 5.252190 
1 1 1    5    2   20 o   55.062   0.8436  407.170   12.477  409.228   17.612  405.097   17.678   55.200   1.1879   54.920   1.1984 0.2793388 1.687370 
1 1 1    5    2   21 o   96.475   0.8871  1250.01   22.988  1249.26   32.470  1250.77   32.550   96.443   1.2535   96.502   1.2558 -0.5855560E-01 1.774335 
1 1 1    5    2   22 o   39.929   0.6668  214.115   7.1509  211.885   10.125  216.335   10.101   39.720   0.9491   40.135   0.9370 -0.4149208 1.333685 
1 1 1    5    2   23 o  212.070   1.8500  6041.49  105.374  6069.04  167.059  6023.29  135.796  212.506   2.9269  211.729   2.3879 0.7768555 3.777381 
1 1 1    5    2   24 o  190.091   1.8729  4854.25   95.624  4920.43  136.255  4790.02  134.235  191.352   2.6511  188.799   2.6471 2.552734 3.746403 
1 1 1    5    2   25 o  152.312   1.3181  3116.01   53.924  3149.39   80.430  3088.75   72.678  153.111   1.9558  151.634   1.7845 1.476608 2.647543 
1 1 1    5    2   26 o   64.837   0.7642  564.586   13.308  562.406   19.788  566.386   17.982   64.709   1.1385   64.939   1.0310 -0.2293472 1.535949 
1 1 1    5    2   27 o  168.237   1.5867  3802.06   71.699  3761.51  123.114  3822.87   88.199  167.295   2.7399  168.686   1.9467 -1.391479 3.361031 
1 1 1    5    2   28 o  173.159   1.4733  4027.71   68.523  4082.95   93.568  3963.82  100.629  174.325   1.9984  171.756   2.1813 2.569107 2.958309 
1 1 1    5    2   29 o  208.373   2.0354  5833.97  113.913  5698.79  158.683  5977.69  163.625  205.893   2.8694  210.870   2.8890 -4.976532 4.071839 
1 1 1    5    2   30 f   94.147   0.9805  1190.51   24.794  1178.89   34.899  1202.34   35.231   93.680   1.3870   94.608   1.3865 -0.9272537 1.961120 
1 1 1    5    2   31 o  235.926   1.8682  7479.13  118.386  7480.53  167.483  7477.73  167.364  235.883   2.6435  235.839   2.6421 0.4397583E-01 3.737514 
1 1 1    5    2   32 o   92.444   0.8857  1147.84   21.992  1179.27   31.527  1118.06   30.693   93.694   1.2528   91.230   1.2526 2.463997 1.771569 
1 1 1    5    2   33 o   43.230   1.1537  251.041   13.396  253.243   18.988  248.860   18.901   43.413   1.6285   43.035   1.6352 0.3774529 2.307737 
1 1 1    5    2   34 o  157.892   1.5154  3349.85   64.267  3284.72   85.273  3435.49   97.781  156.314   2.0311  159.840   2.2776 -3.526184 3.051656 
1 1 1    5    2   35 o   75.973   0.8014  775.296   16.353  783.843   23.294  766.990   22.963   76.384   1.1354   75.558   1.1315 0.8254852 1.602942 
1 1 1    5    2   36 o   74.961   0.8030  754.804   16.167  740.393   22.709  769.614   23.022   74.234   1.1390   75.685   1.1325 -1.450897 1.606191 
1 1 1    5    2   37 o   23.783   1.0444   75.995   6.6714   72.101   9.3796   79.981   9.4908   23.110   1.5196   24.350   1.4579 -1.240046 2.105811 
1 1 1    5    2   38 o   94.478   0.9916  1199.28   25.163  1210.06   35.787  1188.74   35.388   94.880   1.4043   94.040   1.4010 0.8394699 1.983672 
1 1 1    5    2   39 o   57.417   0.8551  442.898   13.186  437.092   19.590  447.708   17.830   57.026   1.2790   57.719   1.1501 -0.6930656 1.720095 
1 1 1    5    2   40 o   49.841   0.7472  333.716   10.003  330.040   14.104  337.438   14.190   49.558   1.0596   50.110   1.0543 -0.5525551 1.494716 
1 1 1    5    2   41 o   99.241   1.0221  1323.52   27.243  1304.64   38.266  1342.92   38.795   98.497   1.4464   99.932   1.4454 -1.434853 2.044813 
1 1 1    5    2   42 o  125.467   1.0996  2115.91   37.056  2140.61   52.703  2091.75   52.113  126.142   1.5555  124.695   1.5560 1.447861 2.200178 
1 1 1    5    2   43 f   85.288   0.9590  977.614   21.968  988.064   31.207  967.348   30.930   85.710   1.3556   84.807   1.3579 0.9034958 1.918698 
1 1 1    5    2   44 o   93.660   0.9138  1179.03   22.988  1203.16   32.810  1155.76   32.218   94.576   1.2916   92.694   1.2940 1.882103 1.828331 
1 1 1    5    2   45 o   9.9182   2.0909   13.774   5.3946   7.6940   7.5299   20.185   7.7325   8.0289   2.8197   12.001   2.4809 -3.971902 3.755741 
1 1 1    5    2   46 o   46.118   0.7992  285.865   9.8993  280.757   13.967  291.022   14.033   45.686   1.1382   46.514   1.1232 -0.8286972 1.599120 
1 1 1    5    2   47 o   24.542   1.2416   81.266   8.1578   85.279   11.692   77.459   11.388   25.086   1.7462   23.897   1.7871 1.188898 2.498577 
1 1 1    5    2   48 o   62.434   0.8884  524.101   14.897  526.398   21.253  521.883   20.887   62.533   1.2654   62.266   1.2489 0.2668724 1.777912 
1 1 1    5    2   49 o   29.347   0.9464  115.828   7.4598  120.405   10.495  111.154   10.606   29.902   1.3067   28.726   1.3746 1.175821 1.896572 
1 1 1    5    2   50 o   38.033   0.9355  194.552   9.5562  194.604   13.657  194.503   13.377   38.008   1.3378   38.000   1.3106 0.7518768E-02 1.872792 
1 1 1    5    2   51 o   48.389   0.8935  314.938   11.612  318.387   16.451  311.513   16.394   48.617   1.2598   48.088   1.2693 0.5288429 1.788346 
1 1 1    5    2   52 f   39.933   0.8858  214.512   9.5009  216.961   13.455  212.078   13.418   40.127   1.2484   39.672   1.2592 0.4552803 1.773178 
1 1 1    5    2   53 o   86.095   0.9582  997.602   22.159  1013.17   30.364  979.862   32.410   86.685   1.3041   85.218   1.4160 1.467247 1.925019 
1 1 1    5    2   54 o   76.889   0.9299  795.657   19.204  776.528   25.668  819.981   28.944   75.891   1.2592   77.954   1.3824 -2.063019 1.869921 
1 1 1    5    2   55 o   13.471   1.9898   25.133   6.9828   22.440   10.090   27.609   9.6737   12.535   3.0303   13.988   2.6722 -1.452925 4.040285 
1 1 1    5    2   56 o   41.451   1.0637  231.423   11.842  231.576   17.815  231.301   15.851   41.387   1.6026   41.391   1.4258 -0.4203796E-02 2.145061 
1 1 1    5    2   57 o   31.227   1.2294  131.499   10.312  124.219   14.540  138.865   14.626   30.227   1.7991   31.984   1.7087 -1.756760 2.481255 
1 1 1    5    2   58 o   28.622   1.1491  110.458   8.8339  107.360   12.613  113.440   12.376   28.105   1.6786   28.908   1.6002 -0.8030777 2.319081 
1 1 1    5    2   59 o   75.491   0.9488  767.759   19.239  774.823   26.336  759.675   28.173   75.734   1.2947   74.953   1.3994 0.7809372 1.906447 
1 1 1    5    2   60 o   42.984   0.9415  249.061   10.870  256.447   15.499  241.911   15.249   43.537   1.3254   42.281   1.3428 1.255955 1.886748 
1 1 1    5    2   61 o   8.7946   2.7812   10.710   7.3575   1.0831   10.468   20.109   10.343   7.2684   3.0844   11.740   3.1949 -4.471204 4.440814 
1 1 1    5    2   62 o   24.499   1.2709   81.594   8.3343   82.941   12.069   80.367   11.523   24.539   1.8447   24.171   1.7876 0.3674526 2.568699 
1 1 1    5    2   63 o   35.070   1.1488  166.698   10.821  157.430   16.009  174.495   14.684   33.827   1.7682   35.755   1.5291 -1.928013 2.337631 
1 1 1    5    3  -63 o   16.309   1.9663   37.206   8.4397   41.631   11.931   32.774   11.940   16.984   2.7064   14.879   3.0888 2.104635 4.106707 
1 1 1    5    3  -62 o   7.8462   2.8125   7.5948   7.5270   0.8072   10.863   13.864   10.439   7.3025   3.1215   9.9843   3.3250 -2.681790 4.560644 
1 1 1    5    3  -61 o   5.7636   2.5243  -1.3411   7.4589   20.280   10.725 -21.5959   10.380   11.774   3.2731   4.6879   2.3106 7.086131 4.006494 
1 1 1    5    3  -60 o   37.098   1.0082  185.657   10.046  177.142   13.989  194.725   14.435   36.153   1.4406   37.911   1.4176 -1.757278 2.021115 
1 1 1    5    3  -59 o   23.317   1.7163   74.191   10.673  113.532   18.523   54.637   13.059   28.671   2.4282   19.795   2.5127 8.875584 3.494242 
1 1 1    5    3  -58 o   37.282   0.9884  187.240   9.8971  208.944   14.085  166.071   13.910   39.334   1.3332   35.045   1.4778 4.289196 1.990276 
1 1 1    5    3  -57 o   44.007   0.9109  260.690   10.767  264.036   15.238  257.354   15.216   44.238   1.2825   43.672   1.2972 0.5656700 1.824132 
1 1 1    5    3  -56 o   36.931   1.0183  183.663   10.101  188.846   13.598  177.283   15.087   37.409   1.3534   36.218   1.5509 1.190670 2.058398 
1 1 1    5    3  -55 o   64.147   0.9090  553.786   15.662  564.746   23.489  545.013   21.015   64.694   1.3518   63.580   1.2306 1.114521 1.828049 
1 1 1    5    3  -54 o   68.310   0.9258  628.026   16.986  617.221   23.810  639.224   24.239   67.647   1.3104   68.842   1.3109 -1.195107 1.853577 
1 1 1    5    3  -53 o   43.738   0.9304  257.449   10.930  257.486   15.706  257.414   15.221   43.693   1.3383   43.693   1.2970 0.3738403E-03 1.863647 
1 1 1    5    3  -52 o   43.108   0.8717  249.980   10.092  247.917   14.169  252.106   14.379   42.894   1.2298   43.254   1.2377 -0.3599472 1.744825 
1 1 1    5    3  -51 o   51.853   1.0123  361.813   14.099  346.848   19.934  376.789   19.943   50.713   1.4635   52.865   1.4045 -2.152390 2.028399 
1 1 1    5    3  -50 o   56.514   0.8650  429.495   13.130  439.981   19.910  421.426   17.466   57.152   1.2970   55.951   1.1623 1.201546 1.741593 
1 1 1    5    3  -49 f   60.504   0.9101  492.292   14.790  501.135   20.918  483.453   20.913   61.005   1.2766   59.916   1.2995 1.088840 1.821697 
1 1 1    5    3  -48 o   36.402   0.9671  178.206   9.4550  170.385   13.259  186.299   13.487   35.567   1.3879   37.194   1.3501 -1.626827 1.936234 
1 1 1    5    3  -47 o   14.770   1.4944   29.687   5.8465   20.164   8.0858   40.122   8.4637   11.969   2.5903   17.142   1.8686 -5.172378 3.193923 
1 1 1    5    3  -46 o   65.755   0.8068  581.149   14.248  590.993   20.237  571.472   20.064   66.282   1.1368   65.177   1.1461 1.104729 1.614257 
1 1 1    5    3  -45 o   53.094   0.8103  378.867   11.555  403.642   17.657  360.312   15.281   54.778   1.2001   51.761   1.0992 3.016605 1.627410 
1 1 1    5    3  -44 o   58.621   0.8347  461.817   13.143  458.534   18.445  465.202   18.731   58.392   1.1761   58.814   1.1858 -0.4223709 1.670074 
1 1 1    5    3  -43 o   45.660   0.7700  280.129   9.4428  284.642   13.346  275.604   13.362   46.015   1.0798   45.278   1.0987 0.7373085 1.540558 
1 1 1    5    3  -42 f   66.955   0.7888  602.327   14.185  592.219   19.950  612.662   20.173   66.375   1.1190   67.512   1.1125 -1.136261 1.577949 
1 1 1    5    3  -41 o   54.215   1.0410  395.020   15.159  392.443   21.442  397.595   21.433   54.019   1.4778   54.373   1.4676 -0.3539772 2.082766 
1 1 1    5    3  -40 o   98.249   1.0259  1297.15   27.073  1287.69   38.132  1306.77   38.445   97.859   1.4507   98.582   1.4520 -0.7224350 2.052526 
1 1 1    5    3  -39 o   29.159   0.8418  114.229   6.5931  108.092   9.1451  120.870   9.5140   28.359   1.2006   29.989   1.1811 -1.629786 1.684207 
1 1 1    5    3  -38 o   54.969   0.8161  405.922   12.049  395.327   16.660  417.544   17.449   54.239   1.1436   55.741   1.1655 -1.502598 1.632808 
1 1 1    5    3  -37 o   89.678   0.9683  1080.46   23.323  1056.34   36.840  1096.59   30.130   88.643   1.5473   90.333   1.2418 -1.689674 1.984040 
1 1 1    5    3  -36 f   58.048   0.8339  452.630   13.001  458.568   18.443  446.763   18.331   58.420   1.1754   57.663   1.1836 0.7570496 1.668046 
1 1 1    5    3  -35 o  107.350   0.9767  1548.09   28.160  1491.39   39.049  1609.54   40.649  105.350   1.3800  109.443   1.3828 -4.093338 1.953618 
1 1 1    5    3  -34 o   53.276   0.7354  381.228   10.523  381.150   14.859  381.307   14.904   53.267   1.0386   53.278   1.0415 -0.1092911E-01 1.470862 
1 1 1    5    3  -33 o  122.203   1.0676  2006.01   35.041  2007.00   49.532  2005.03   49.579  122.217   1.5089  122.157   1.5111 0.6012726E-01 2.135445 
1 1 1    5    3  -32 o   61.162   0.8245  502.443   13.544  501.947   17.483  503.188   21.419   61.129   1.0648   61.202   1.3030 -0.7221985E-01 1.682729 
1 1 1    5    3  -31 o   85.374   1.2005  979.085   27.529  975.779   33.696  985.722   47.740   85.225   1.4721   85.643   2.0754 -0.4178619 2.544424 
1 1 1    5    3  -30 o  100.668   1.4492  1361.37   39.184  1339.25   61.160  1376.77   51.034   99.824   2.2811  101.225   1.8771 -1.401230 2.954098 
1 1 1    5    3  -29 o  111.240   1.5211  1662.31   45.449  1679.11   58.918  1637.63   71.419  111.789   1.9623  110.386   2.4088 1.403511 3.106914 
1 1 1    5    3  -28 o  168.112   1.5060  3796.44   68.003  3967.25  110.280  3691.64   86.381  171.818   2.3897  165.761   1.9402 6.056686 3.078120 
1 1 1    5    3  -27 o  150.153   1.5258  3028.57   61.536  3061.78   87.601  2996.23   86.460  150.955   2.1606  149.331   2.1556 1.624344 3.052032 
1 1 1    5    3  -26 o   52.586   1.1561  371.410   16.329  356.000   30.816  377.426   19.254   51.474   2.2290   53.008   1.3523 -1.534702 2.607110 
1 1 1    5    3  -25 o  133.389   1.1297  2389.76   40.474  2386.96   57.191  2392.56   57.287  133.303   1.5973  133.459   1.5981 -0.1564178 2.259548 
1 1 1    5    3  -24 o  150.381   1.2465  3037.46   50.346  3018.79   70.916  3056.43   71.487  149.907   1.7613  150.839   1.7645 -0.9314423 2.493094 
1 1 1    5    3  -23 o   44.993   0.9451  271.886   11.421  277.259   14.177  261.952   19.277   45.434   1.1618   44.159   1.6253 1.274845 1.997796 
1 1 1    5    3  -22 o   83.883   0.8478  944.998   19.100  953.312   23.965  930.522   31.624   84.249   1.0591   83.233   1.4146 1.016068 1.767111 
1 1 1    5    3  -21 o  254.638   2.1918  8710.75  149.905  8551.30  209.466  8878.14  214.623  252.254   3.0916  257.028   3.1089 -4.774567 4.384414 
1 1 1    5    3  -20 o  298.276   2.5473 11952.72  204.074 11904.54  262.644 12026.14  324.183  297.636   3.2854  299.104   4.0353 -1.467529 5.203615 
1 1 1    5    3  -19 o  235.549   1.8578  7452.47  117.539  7341.32  164.629  7568.05  167.867  233.766   2.6220  237.348   2.6332 -3.582001 3.716015 
1 1 1    5    3  -18 o  326.384   2.5342 14309.75  222.161 14374.42  314.957 14245.72  313.416  327.078   3.5852  325.610   3.5837 1.467499 5.069141 
1 1 1    5    3  -17 o   47.127   1.0251  298.272   12.976  306.020   16.631  286.216   20.745   47.734   1.2972   46.163   1.6731 1.571213 2.117060 
1 1 1    5    3  -16 o  172.442   1.3955  3993.65   64.637  3947.48   90.757  4041.18   92.078  171.437   1.9710  173.460   1.9763 -2.022552 2.791181 
1 1 1    5    3  -15 o   52.354   1.1181  368.114   15.722  366.618   18.012  372.900   32.219   52.248   1.2835   52.691   2.2766 -0.4434090 2.613465 
1 1 1    5    3  -14 o  286.367   2.7356 11015.00  210.409 11307.96  270.673 10567.62  334.482  290.135   3.4734  280.452   4.4404 9.683289 5.637516 
1 1 1    5    3  -13 o  475.204   4.0044 30337.32  511.100 29688.68  796.590 30791.18  666.336  469.973   6.3106  478.689   5.1826 -8.715454 8.165962 
1 1 1    5    3  -12 o  605.534   5.0883 49269.94  827.564 49508.29  1312.57 49112.68  1066.18  606.740   8.0543  604.454   6.5671 2.286865 10.39225 
1 1 1    5    3  -11 o  332.900   2.5815 14885.10  230.821 15154.11  330.313 14628.37  322.682  335.870   3.6615  329.993   3.6406 5.877106 5.163437 
1 1 1    5    3  -10 o  518.137   3.9804 36066.47  553.938 36103.62  784.056 36029.45  782.720  518.313   5.6320  517.780   5.6282 0.5324097 7.962162 
1 1 1    5    3   -9 o  481.338   3.7019 31124.26  478.589 31538.42  682.839 30724.37  670.971  484.454   5.2478  478.162   5.2244 6.291748 7.404958 
1 1 1    5    3   -8 o  150.636   1.2341  3047.43   49.930  3071.99   70.988  3023.38   70.240  151.239   1.7475  150.037   1.7430 1.201309 2.468186 
1 1 1    5    3   -7 o  213.163   1.6863  6102.61   96.546  5921.26  133.972  6298.55  139.254  209.964   2.3756  216.549   2.3942 -6.585541 3.372798 
1 1 1    5    3   -6 o  167.487   1.6556  3767.52   74.480  3762.53  105.298  3772.53  105.363  167.370   2.3423  167.592   2.3407 -0.2222595 3.311398 
1 1 1    5    3   -5 o  361.869   3.4275 17591.96  333.134 17289.83  465.353 17909.55  477.112  358.688   4.8303  365.057   4.8659 -6.369812 6.856319 
1 1 1    5    3   -4 o  255.281   2.1884  8753.11  150.048  8743.18  237.115  8759.74  193.783  255.108   3.4605  255.365   2.8253 -0.2569580 4.467382 
1 1 1    5    3   -3 o  378.612   3.2032 19257.22  325.736 19888.83  526.224 18864.88  414.745  384.675   5.0931  374.695   4.1211 9.979492 6.551593 
1 1 1    5    3   -2 o  300.588   2.3357 12136.20  188.573 12098.09  266.173 12174.60  267.194  300.089   3.3023  301.036   3.3046 -0.9472961 4.671796 
1 1 1    5    3   -1 f   50.115   0.6570  337.286   8.8439  341.808   12.560  332.839   12.456   50.449   0.9269   49.783   0.9315 0.6663475 1.314094 
1 1 1    5    3    0 f  233.256   1.8335  7307.61  114.871  7262.21  161.752  7353.81  163.161  232.517   2.5900  233.979   2.5963 -1.461639 3.667253 
1 1 1    5    3    1 f  168.122   1.3563  3796.10   61.243  3811.65   86.846  3780.72   86.377  168.461   1.9194  167.776   1.9168 0.6848297 2.712589 
1 1 1    5    3    2 o  172.691   1.3895  4005.24   64.452  4031.89   91.550  3979.05   90.753  173.259   1.9673  172.120   1.9631 1.139084 2.779195 
1 1 1    5    3    3 o  245.970   1.9278  8126.05  127.361  8179.41  180.860  8073.56  179.380  246.762   2.7288  245.160   2.7242 1.601868 3.855834 
1 1 1    5    3    4 o  141.986   1.1705  2707.53   44.637  2683.61   62.815  2731.94   63.443  141.355   1.6545  142.622   1.6562 -1.267227 2.340967 
1 1 1    5    3    5 o  193.251   1.6084  5015.80   83.485  5159.52  126.028  4903.42  111.444  195.992   2.3941  191.068   2.1716 4.923172 3.232242 
1 1 1    5    3    6 o  516.222   4.8572 35810.78  673.462 35875.43  953.636 35746.45  951.207  516.521   6.8739  515.592   6.8687 0.9289551 9.717511 
1 1 1    5    3    7 o  297.849   2.8363 11916.45  226.906 11661.51  316.534 12185.93  325.437  294.616   4.0001  301.167   4.0232 -6.550934 5.673340 
1 1 1    5    3    8 o  405.598   3.4256 22099.17  373.189 22429.45  595.762 21885.88  478.757  408.529   5.4295  403.597   4.4165 4.931885 6.998876 
1 1 1    5    3    9 o  262.455   2.0525  9251.50  144.686  9360.62  206.223  9145.72  203.047  263.985   2.9085  260.937   2.8971 3.047760 4.105197 
1 1 1    5    3   10 o  280.326   2.1858 10554.45  164.573 10568.57  232.943 10540.38  232.539  280.499   3.0919  280.125   3.0907 0.3742676 4.371743 
1 1 1    5    3   11 o   78.473   0.9281  827.015   19.561  794.246   27.100  862.660   28.264   76.902   1.3120   80.146   1.3130 -3.243652 1.856135 
1 1 1    5    3   12 o  654.907   5.5006 57637.66  967.569 56689.11  1512.49 58294.75  1258.85  649.180   8.6743  658.484   7.1177 -9.304504 11.22076 
1 1 1    5    3   13 o  672.852   5.6505 60842.65  1021.17 62358.61  1641.10 59884.80  1304.48  680.817   8.9745  667.380   7.2774 13.43738 11.55433 
1 1 1    5    3   14 o  860.087   6.5865 99445.15  1521.56 99932.47  2157.59 98963.02  2146.09  861.757   9.3216  857.568   9.3172 4.189392 13.17967 
1 1 1    5    3   15 o  542.905   4.1702 39600.36  608.099 39462.70  858.312 39739.10  861.660  541.843   5.8977  543.737   5.9000 -1.894043 8.342241 
1 1 1    5    3   16 o  389.934   3.6893 20427.27  386.390 20328.08  487.237 20595.35  634.267  388.942   4.6641  391.410   6.0332 -2.468079 7.625809 
1 1 1    5    3   17 o  272.331   2.6100  9962.17  190.913  9813.98  218.329 10443.60  393.509  270.288   3.0074  278.737   5.2561 -8.449554 6.055712 
1 1 1    5    3   18 o  378.848   3.2110 19282.94  326.732 19088.17  418.673 19586.31  522.533  376.878   4.1360  381.695   5.0969 -4.817291 6.563913 
1 1 1    5    3   19 o  304.589   2.3722 12462.70  194.067 12401.44  273.660 12524.67  275.251  303.797   3.3538  305.303   3.3567 -1.505524 4.744999 
1 1 1    5    3   20 o  404.169   3.1211 21950.24  338.814 22012.59  479.999 21888.31  478.315  404.625   4.4167  403.482   4.4137 1.143494 6.243992 
1 1 1    5    3   21 o  327.432   2.5442 14404.69  223.749 14161.42  342.692 14585.46  295.404  324.552   3.9312  329.426   3.3386 -4.873627 5.157608 
1 1 1    5    3   22 o  180.658   1.6836  4384.04   81.692  4327.13  108.705  4457.88  123.826  179.465   2.2552  182.146   2.5311 -2.681442 3.389982 
1 1 1    5    3   23 o   47.231   0.9744  299.606   12.361  290.173   14.960  319.904   21.944   46.480   1.1983   48.800   1.6742 -2.319855 2.058851 
1 1 1    5    3   24 o  167.729   1.5824  3779.04   71.287  3825.21  124.500  3756.52   86.952  168.712   2.7475  167.219   1.9360 1.492233 3.361053 
1 1 1    5    3   25 o  382.600   3.4203 19680.57  351.484 19381.17  521.789 19929.28  475.567  379.415   5.1202  384.836   4.6009 -5.420441 6.883683 
1 1 1    5    3   26 o  165.197   1.4137  3665.69   62.726  3708.16   93.702  3631.20   84.437  166.132   2.0999  164.405   1.9122 1.726913 2.840089 
1 1 1    5    3   27 o  174.150   1.4169  4073.82   66.277  4075.73   93.807  4071.92   93.654  174.172   2.0052  174.090   2.0029 0.8140564E-01 2.834177 
1 1 1    5    3   28 o  131.566   1.4614  2325.20   51.643  2323.13   68.191  2327.98   79.081  131.496   1.9307  131.623   2.2369 -0.1273804 2.954913 
1 1 1    5    3   29 o  211.717   1.6233  6021.75   92.308  6089.74  126.571  5944.52  134.914  212.878   2.2137  210.314   2.3884 2.564468 3.256458 
1 1 1    5    3   30 o   91.509   1.0199  1124.75   25.067  1110.03   37.464  1136.69   33.729   90.899   1.5345   91.988   1.3652 -1.088646 2.053844 
1 1 1    5    3   31 o   81.492   0.8610  891.970   18.846  899.211   25.582  883.375   27.869   81.818   1.1641   81.093   1.2795 0.7255402 1.729816 
1 1 1    5    3   32 o   80.462   0.9533  869.608   20.602  848.995   30.541  886.823   27.909   79.494   1.4304   81.249   1.2789 -1.754875 1.918742 
1 1 1    5    3   33 o   78.435   0.9503  826.370   20.021  822.456   26.814  831.300   30.098   78.243   1.2759   78.659   1.4246 -0.4160004 1.912442 
1 1 1    5    3   34 o   81.383   1.0247  889.709   22.398  902.318   31.789  877.278   31.562   81.946   1.4443   80.801   1.4543 1.145348 2.049639 
1 1 1    5    3   35 o   96.085   1.0011  1240.26   25.837  1215.69   36.233  1265.69   36.852   95.114   1.4183   97.050   1.4137 -1.936501 2.002571 
1 1 1    5    3   36 f  111.329   1.0474  1665.17   31.318  1652.71   42.269  1680.33   46.633  110.893   1.4191  111.808   1.5529 -0.9144821 2.103639 
1 1 1    5    3   37 o   73.488   0.8708  725.504   17.189  730.778   27.261  722.023   22.146   73.737   1.3765   73.304   1.1248 0.4330902 1.777592 
1 1 1    5    3   38 o   49.998   0.7388  335.804   9.9212  338.350   14.083  333.297   13.979   50.181   1.0449   49.804   1.0450 0.3760948 1.477770 
1 1 1    5    3   39 o   43.895   0.9075  258.878   10.699  257.741   17.239  259.591   13.645   43.783   1.4659   43.950   1.1559 -0.1664886 1.866818 
1 1 1    5    3   40 o  109.866   1.3045  1622.67   38.496  1637.49   73.040  1616.96   45.298  110.223   2.4671  109.651   1.5381 0.5719452 2.907307 
1 1 1    5    3   41 o   40.119   0.8192  216.245   8.8273  214.502   12.528  217.962   12.440   39.947   1.1676   40.269   1.1501 -0.3214188 1.638951 
1 1 1    5    3   42 f   69.601   0.9908  651.039   18.522  665.163   26.595  637.736   25.811   70.325   1.4080   68.861   1.3955 1.464233 1.982398 
1 1 1    5    3   43 o   53.884   0.7677  390.117   11.110  382.620   15.573  397.888   15.854   53.350   1.0868   54.404   1.0850 -1.054092 1.535701 
1 1 1    5    3   44 o   44.764   0.7754  269.269   9.3223  269.539   13.076  268.989   13.294   44.773   1.0873   44.727   1.1066 0.4671097E-01 1.551421 
1 1 1    5    3   45 o   54.004   0.7724  391.942   11.204  392.171   15.928  391.717   15.764   54.001   1.0982   53.970   1.0874 0.3050995E-01 1.545493 
1 1 1    5    3   46 o   54.491   0.8422  399.130   12.326  402.984   17.357  395.209   17.507   54.729   1.1807   54.197   1.2027 0.5323830 1.685403 
1 1 1    5    3   47 o   60.931   0.8017  499.038   13.120  503.035   18.519  495.009   18.590   61.147   1.1276   60.656   1.1411 0.4910431 1.604226 
1 1 1    5    3   48 o   11.047   2.3342   17.143   6.7090   21.833   9.5169   12.509   9.4594   12.426   2.9038   9.7318   3.1615 2.694127 4.292616 
1 1 1    5    3   49 f   57.153   0.8130  439.143   12.480  430.083   17.512  448.492   17.789   56.529   1.1534   57.727   1.1473 -1.197811 1.626846 
1 1 1    5    3   50 o   60.312   0.8297  489.111   13.441  480.734   18.870  497.737   19.148   59.756   1.1757   60.804   1.1725 -1.047958 1.660431 
1 1 1    5    3   51 o   17.004   1.5117   39.310   6.8322   34.394   9.8792   43.817   9.4589   15.737   2.4143   17.883   2.0037 -2.145525 3.137461 
1 1 1    5    3   52 o   56.084   0.8594  423.110   12.946  409.465   17.621  439.117   19.085   55.131   1.1899   57.084   1.2448 -1.952896 1.722038 
1 1 1    5    3   53 o   84.470   1.0093  960.575   22.900  999.061   32.938  924.566   31.860   86.041   1.4253   82.769   1.4331 3.272217 2.021186 
1 1 1    5    3   54 o   25.335   1.1440   86.483   7.7849   86.371   11.071   86.593   10.948   25.222   1.6433   25.258   1.6224 -0.3602219E-01 2.309286 
1 1 1    5    3   55 o   68.423   0.9042  630.077   16.617  626.208   24.220  633.519   22.840   68.130   1.3235   68.546   1.2406 -0.4154739 1.814057 
1 1 1    5    3   56 o   43.221   1.1682  251.772   13.561  244.563   16.804  265.234   22.964   42.553   1.4703   44.223   1.9334 -1.670364 2.428907 
1 1 1    5    3   57 o   58.727   0.9093  464.241   14.343  462.583   20.772  465.751   19.829   58.546   1.3209   58.760   1.2564 -0.2138786 1.823036 
1 1 1    5    3   58 o   8.9377   3.0229   10.360   8.6282  -0.3263   12.010   21.759   12.404   7.5908   3.2644   12.333   3.5518 -4.741857 4.824058 
1 1 1    5    3   59 o   39.833   0.9599  213.805   10.270  209.407   14.307  218.480   14.750   39.356   1.3535   40.197   1.3662 -0.8410645 1.923132 
1 1 1    5    3   60 o   10.505   2.6076   15.850   7.3233   20.256   10.105   10.977   10.628   11.817   3.1330   9.3832   3.3443 2.433715 4.582577 
1 1 1    5    3   61 o   8.1740   2.8765   8.4256   7.8387   8.3049   10.543   8.5748   11.722   8.7068   3.2919   9.0148   3.4560 -0.3080091 4.772887 
1 1 1    5    3   62 o   5.8181   2.5916  -2.5900   8.1839  -7.1579   11.699   1.7873   11.452   6.4580   2.9639   7.6382   3.2329 -1.180173 4.385901 
1 1 1    5    3   63 o   13.532   2.4863   26.397   8.7034   25.732   11.701   27.221   13.021   13.083   3.3233   13.390   3.5594 -0.3068657 4.869686 
1 1 1    5    4  -63 o   32.762   1.1898  145.700   10.469  143.811   14.124  148.003   15.598   32.360   1.6302   32.760   1.7793 -0.4004669 2.413236 
1 1 1    5    4  -62 o   24.773   1.4944   83.903   9.8967   74.224   14.049   93.436   13.943   23.013   2.3040   25.964   2.0152 -2.951809 3.060912 
1 1 1    5    4  -61 o   8.2102   2.7894   8.8824   7.3471   12.874   10.751   5.3849   10.064   9.8067   3.3734   7.9513   3.1570 1.855339 4.620211 
1 1 1    5    4  -60 o   14.741   2.1184   30.356   8.1463   24.140   12.242   35.295   10.914   12.831   3.4690   15.754   2.6748 -2.923399 4.380473 
1 1 1    5    4  -59 o   17.687   1.7729   42.935   8.3093   65.957   13.053   27.249   10.774   21.837   2.2581   13.757   3.0005 8.080286 3.755270 
1 1 1    5    4  -58 o   33.871   1.1851  154.784   10.781  156.480   16.542  153.532   14.215   33.903   1.8233   33.675   1.5716 0.2272263 2.407120 
1 1 1    5    4  -57 o   15.094   1.8186   31.324   7.2246   36.588   10.118   25.847   10.320   16.205   2.3968   13.456   2.9377 2.749176 3.791445 
1 1 1    5    4  -56 o   27.999   1.0988  105.623   8.2634  103.320   11.768  107.864   11.606   27.597   1.5944   28.209   1.5376 -0.6121063 2.215037 
1 1 1    5    4  -55 o   50.730   0.8691  346.301   11.843  345.754   16.755  346.846   16.741   50.639   1.2319   50.719   1.2289 -0.8032990E-01 1.740030 
1 1 1    5    4  -54 o   40.895   0.9417  225.106   10.344  238.503   14.704  211.984   14.553   42.050   1.3019   39.635   1.3671 2.415585 1.887819 
1 1 1    5    4  -53 o   23.261   1.2560   73.160   7.8180   81.580   11.172   65.079   10.944   24.500   1.7084   21.839   1.8843 2.661459 2.543431 
1 1 1    5    4  -52 o   80.207   0.8831  865.494   19.024  855.462   26.772  875.726   27.038   79.669   1.2511   80.608   1.2488 -0.9386063 1.767723 
1 1 1    5    4  -51 o   13.738   2.0315   26.100   7.2701   13.425   10.237   38.999   10.327   10.061   3.2898   16.787   2.3551 -6.726225 4.045863 
1 1 1    5    4  -50 o   8.4244   2.8090   9.1551   7.4500   9.1173   10.416   9.1947   10.660   9.0248   3.2982   9.0960   3.3346 -0.7115078E-01 4.690172 
1 1 1    5    4  -49 o   26.034   1.0156   91.178   7.1017   93.540   10.050   88.822   10.037   26.308   1.4276   25.629   1.4641 0.6782398 2.044906 
1 1 1    5    4  -48 o   53.623   0.8040  386.550   11.580  379.567   16.219  393.811   16.540   53.109   1.1370   54.097   1.1383 -0.9872131 1.608919 
1 1 1    5    4  -47 o   25.496   1.1265   87.463   7.7146   90.684   11.023   84.370   10.801   25.889   1.5930   24.964   1.6195 0.9242725 2.271661 
1 1 1    5    4  -46 o   59.072   0.7871  469.021   12.488  471.756   17.639  466.272   17.681   59.219   1.1090   58.873   1.1182 0.3460350 1.574850 
1 1 1    5    4  -45 o   44.148   0.7879  261.951   9.3429  262.454   13.121  261.433   13.307   44.174   1.1059   44.087   1.1237 0.8710480E-01 1.576617 
1 1 1    5    4  -44 o   36.463   0.8597  178.698   8.4201  200.242   11.985  157.702   11.832   38.586   1.1565   34.238   1.2866 4.348930 1.729974 
1 1 1    5    4  -43 o   46.629   0.7632  292.147   9.5581  293.443   13.497  290.843   13.538   46.720   1.0756   46.512   1.0837 0.2078514 1.526807 
1 1 1    5    4  -42 o   73.602   0.8540  727.927   16.882  709.973   24.815  743.394   23.033   72.663   1.2715   74.362   1.1532 -1.699043 1.716555 
1 1 1    5    4  -41 o   51.201   0.8333  352.232   11.460  348.334   16.042  356.293   16.375   50.905   1.1733   51.483   1.1842 -0.5778008 1.667058 
1 1 1    5    4  -40 o   36.025   0.9658  174.389   9.3455  172.739   13.043  176.131   13.397   35.844   1.3548   36.193   1.3781 -0.3495598 1.932529 
1 1 1    5    4  -39 o   60.874   0.7894  497.830   12.908  503.322   21.516  494.743   16.133   61.190   1.3092   60.679   0.9899 0.5110588 1.641278 
1 1 1    5    4  -38 o   47.816   0.8236  307.161   10.578  302.234   15.596  311.359   14.395   47.421   1.2244   48.135   1.1134 -0.7137337 1.654989 
1 1 1    5    4  -37 o   64.340   0.8513  556.125   14.711  559.935   20.980  552.439   20.633   64.549   1.2101   64.116   1.1981 0.4331055 1.702907 
1 1 1    5    4  -36 o  179.183   1.6909  4316.66   81.377  4337.36  109.356  4290.98  121.820  179.530   2.2678  178.521   2.5406 1.008911 3.405547 
1 1 1    5    4  -35 o   74.659   0.8391  748.740   16.825  721.569   24.656  772.421   23.018   73.281   1.2527   75.823   1.1302 -2.542007 1.687197 
1 1 1    5    4  -34 o   35.210   0.7644  166.520   7.2293  166.202   10.202  166.841   10.245   35.173   1.0799   35.241   1.0824 -0.6747437E-01 1.528993 
1 1 1    5    4  -33 o  130.798   1.2300  2298.38   43.211  2339.94   61.949  2258.99   60.303  131.951   1.7480  129.649   1.7317 2.301651 2.460547 
1 1 1    5    4  -32 o  102.448   1.2296  1409.95   33.834  1379.49   44.389  1452.18   52.267  101.323   1.6311  103.949   1.8720 -2.626335 2.482923 
1 1 1    5    4  -31 o  119.072   1.1464  1904.52   36.664  1918.44   47.487  1883.98   57.691  119.497   1.4795  118.407   1.8140 1.089714 2.340855 
1 1 1    5    4  -30 o  214.501   1.7107  6181.87   98.560  6018.90  137.048  6356.45  141.844  211.607   2.4113  217.458   2.4285 -5.851334 3.422298 
1 1 1    5    4  -29 o  205.957   1.8064  5699.17   99.928  5567.52  155.715  5791.34  130.297  203.496   2.8489  207.584   2.3369 -4.088120 3.684799 
1 1 1    5    4  -28 o  112.604   1.2252  1703.14   37.055  1718.08   52.579  1688.39   52.231  113.086   1.7310  112.105   1.7347 0.9815903 2.450625 
1 1 1    5    4  -27 o  121.077   1.6182  1969.30   52.626  1939.79   82.231  1989.78   68.488  120.140   2.5483  121.692   2.0953 -1.552734 3.299174 
1 1 1    5    4  -26 o  106.284   1.2574  1517.29   35.894  1528.91   67.492  1512.70   42.385  106.668   2.3557  106.119   1.4870 0.5482407 2.785823 
1 1 1    5    4  -25 o   61.580   0.8622  509.292   14.261  477.557   19.715  544.115   20.652   59.628   1.2310   63.648   1.2081 -4.019882 1.724768 
1 1 1    5    4  -24 o  205.819   1.6424  5690.44   90.795  5694.75  118.883  5684.42  140.651  205.878   2.1499  205.673   2.5461 0.2048798 3.332359 
1 1 1    5    4  -23 o  249.583   1.8866  8368.25  126.473  8304.69  171.419  8444.18  187.362  248.599   2.5672  250.664   2.7829 -2.065765 3.786191 
1 1 1    5    4  -22 f   74.271   0.8782  740.848   17.519  723.507   23.382  763.040   26.452   73.395   1.1861   75.372   1.3066 -1.977516 1.764678 
1 1 1    5    4  -21 o  202.784   1.6191  5523.56   88.184  5448.61  123.598  5601.28  125.854  201.383   2.2850  204.184   2.2948 -2.801529 3.238477 
1 1 1    5    4  -20 o  339.151   2.8830 15455.93  262.621 15304.75  336.892 15690.10  419.287  337.425   3.7172  341.565   4.5703 -4.139343 5.891152 
1 1 1    5    4  -19 o  131.430   1.2194  2319.98   43.045  2308.36   60.654  2331.78   61.099  131.094   1.7226  131.758   1.7265 -0.6632996 2.438871 
1 1 1    5    4  -18 o  276.527   2.1613 10271.46  160.525 10274.13  227.029 10268.80  227.004  276.532   3.0566  276.460   3.0571 0.7168579E-01 4.323059 
1 1 1    5    4  -17 o  287.431   2.4565 11097.72  189.643 11115.53  268.379 11079.95  268.014  287.628   3.4740  287.167   3.4748 0.4607239 4.913527 
1 1 1    5    4  -16 o  627.863   4.8164 52981.16  812.223 52459.47  1141.13 53516.84  1156.34  624.528   6.8028  630.787   6.8251 -6.259399 9.636427 
1 1 1    5    4  -15 o  114.764   1.0922  1768.84   33.667  1747.76   47.274  1790.53   47.958  114.076   1.5429  115.464   1.5464 -1.387573 2.184446 
1 1 1    5    4  -14 o   76.076   0.9300  777.267   19.003  794.058   24.202  750.278   30.685   76.893   1.1719   74.742   1.5285 2.150696 1.926010 
1 1 1    5    4  -13 o  786.447   7.3805 83168.06  1558.99 82770.43  2197.21 83571.20  2212.37  784.064   10.433  787.844   10.455 -3.779480 14.77039 
1 1 1    5    4  -12 o  397.908   3.5457 21269.09  378.941 21042.17  564.136 21455.66  511.525  395.710   5.3078  399.603   4.7659 -3.893463 7.133492 
1 1 1    5    4  -11 o  263.988   2.2612  9360.07  160.331  9278.63  251.936  9415.50  207.855  262.815   3.5690  264.759   2.9229 -1.943604 4.613174 
1 1 1    5    4  -10 o  380.905   2.9416 19488.43  300.944 19559.34  426.494 19418.12  424.708  381.561   4.1616  380.181   4.1592 1.379852 5.883663 
1 1 1    5    4   -9 o  302.546   2.3520 12294.11  191.128 12429.22  272.145 12162.61  268.485  304.185   3.3310  300.905   3.3220 3.279877 4.704360 
1 1 1    5    4   -8 o  118.237   1.1634  1877.52   36.945  1875.32   55.255  1879.30   49.685  118.166   1.7409  118.292   1.5638 -0.1263504 2.340149 
1 1 1    5    4   -7 o  159.461   1.3548  3415.01   58.026  3451.80   86.604  3385.04   78.167  160.314   2.0113  158.757   1.8331 1.556534 2.721338 
1 1 1    5    4   -6 o  443.094   3.4119 26374.08  406.054 26122.45  570.245 26632.90  578.335  440.913   4.8152  445.199   4.8365 -4.285889 6.824833 
1 1 1    5    4   -5 o  568.804   4.7836 43475.19  730.818 42686.47  931.349 44739.00  1178.94  563.512   6.1534  576.753   7.6105 -13.24078 9.786926 
1 1 1    5    4   -4 o  169.116   1.4946  3841.12   67.890  3833.01   87.571  3853.34  107.479  168.934   1.9300  169.377   2.3625 -0.4433289 3.050625 
1 1 1    5    4   -3 o   89.757   0.8986  1081.96   21.662  1088.86   30.793  1075.20   30.480   90.042   1.2732   89.475   1.2683 0.5668945 1.797140 
1 1 1    5    4   -2 o  311.585   2.6495 13040.75  221.736 12703.08  345.164 13278.01  289.335  307.479   4.1794  314.386   3.4265 -6.906921 5.404479 
1 1 1    5    4   -1 o  306.873   2.6110 12649.28  215.212 12706.08  341.438 12611.83  277.212  307.515   4.1338  306.398   3.3685 1.117096 5.332464 
1 1 1    5    4    0 o  624.399   5.2455 52400.53  879.720 51040.48  1367.19 53361.51  1149.23  615.876   8.2650  629.927   6.7924 -14.05133 10.69799 
1 1 1    5    4    1 o  168.961   1.6692  3834.17   75.753  3837.11  123.822  3832.42   95.765  169.015   2.7276  168.919   2.1108 0.9613037E-01 3.448935 
1 1 1    5    4    2 o  215.534   1.8655  6239.32  107.993  6390.55  173.274  6143.25  138.095  218.114   2.9577  213.861   2.4041 4.252792 3.811536 
1 1 1    5    4    3 o  148.960   1.3366  2980.04   53.476  3063.22   85.918  2927.44   68.324  151.019   2.1182  147.637   1.7230 3.381805 2.730440 
1 1 1    5    4    4 o  241.629   1.9806  7841.60  128.540  7766.76  189.493  7905.39  174.943  240.458   2.9340  242.599   2.6848 -2.140945 3.977020 
1 1 1    5    4    5 o  435.175   3.6708 25441.38  429.057 25321.82  552.318 25623.32  681.356  434.102   4.7370  436.615   5.8101 -2.513367 7.496437 
1 1 1    5    4    6 o  114.646   1.0771  1765.21   33.168  1791.95   43.210  1726.85   51.750  115.511   1.3927  113.392   1.6992 2.118988 2.197013 
1 1 1    5    4    7 o  324.547   2.5170 14147.54  219.412 14055.80  309.009 14240.83  311.598  323.469   3.5567  325.591   3.5631 -2.121857 5.034472 
1 1 1    5    4    8 o  509.011   3.9114 34807.07  534.757 34736.39  755.091 34878.19  757.434  508.406   5.5296  509.442   5.5355 -1.036224 7.824244 
1 1 1    5    4    9 o  127.651   1.1225  2188.40   38.485  2225.25   57.589  2158.66   51.732  128.720   1.6657  126.780   1.5192 1.940178 2.254476 
1 1 1    5    4   10 o  374.279   2.8922 18816.22  290.745 18964.11  413.150 18671.13  409.229  375.713   4.0941  372.799   4.0869 2.913300 5.784885 
1 1 1    5    4   11 o  988.547   8.7426 131457.41  2321.29 127743.90  3417.19 134639.30  3163.12  973.479   13.069  999.757   11.780 -26.27808 17.59441 
1 1 1    5    4   12 o  722.508   6.0646 70162.72  1176.90 71358.41  1881.53 69394.23  1508.41  728.183   9.6201  718.344   7.8180 9.838562 12.39625 
1 1 1    5    4   13 o  392.073   3.1620 20648.97  332.983 20872.79  454.051 20388.52  489.798  394.154   4.2889  389.538   4.6814 4.615417 6.349030 
1 1 1    5    4   14 o   94.516   1.2210  1199.74   30.997  1232.08   44.695  1169.76   43.027   95.780   1.7374   93.326   1.7165 2.453819 2.442297 
1 1 1    5    4   15 o  228.539   2.0837  7015.12  127.906  7234.84  159.616  6620.85  213.812  232.083   2.5606  221.997   3.5859 10.08585 4.406256 
1 1 1    5    4   16 o  191.846   1.5363  4943.09   79.161  4828.74  110.312  5064.50  113.664  189.606   2.1661  194.180   2.1793 -4.573395 3.072715 
1 1 1    5    4   17 o  279.261   2.1816 10475.24  163.634 10437.43  230.735 10513.49  232.097  278.730   3.0820  279.744   3.0890 -1.013489 4.363576 
1 1 1    5    4   18 o  328.009   2.7907 14454.17  245.860 14569.22  319.007 14285.85  385.850  329.271   3.6071  326.003   4.4066 3.267365 5.694661 
1 1 1    5    4   19 o  121.214   1.2751  1973.37   41.514  2012.36   52.998  1911.45   66.784  122.402   1.6121  119.288   2.0844 3.114250 2.635046 
1 1 1    5    4   20 o   62.108   1.1926  518.084   19.895  469.400   37.542  537.094   23.459   59.110   2.3647   63.236   1.3812 -4.126648 2.738498 
1 1 1    5    4   21 o  151.625   1.3716  3087.93   55.859  3028.55   78.089  3150.15   79.938  150.149   1.9363  153.133   1.9435 -2.984482 2.743467 
1 1 1    5    4   22 f  289.708   2.7700 11279.10  215.545 11238.41  272.059 11347.69  353.254  289.127   3.5033  290.426   4.5286 -1.298187 5.725494 
1 1 1    5    4   23 o  250.559   1.9720  8434.10  132.709  8542.95  189.262  8328.83  186.134  252.125   2.7948  248.946   2.7837 3.178986 3.944650 
1 1 1    5    4   24 o  290.417   2.2694 11332.32  177.022 11454.61  276.076 11246.93  230.687  291.879   3.5215  289.270   2.9691 2.608795 4.606184 
1 1 1    5    4   25 o  170.019   1.6021  3882.99   73.159  3985.06  128.812  3834.39   88.886  172.195   2.7851  168.941   1.9589 3.253937 3.405010 
1 1 1    5    4   26 o  184.857   2.1148  4591.31  105.003  4731.15  185.327  4525.20  127.431  187.561   3.6788  183.500   2.5855 4.061691 4.496469 
1 1 1    5    4   27 o   66.449   1.0301  593.054   18.384  591.016   25.622  595.216   26.394   66.331   1.4382   66.566   1.4762 -0.2348938 2.060970 
1 1 1    5    4   28 o  206.600   1.7241  5734.33   95.673  5810.70  130.526  5645.66  140.642  207.939   2.3371  204.951   2.5549 2.987900 3.462557 
1 1 1    5    4   29 o  262.305   1.9803  9245.07  139.519  9161.73  189.014  9344.84  206.804  261.059   2.6956  263.632   2.9206 -2.572937 3.974454 
1 1 1    5    4   30 o  100.527   1.2216  1357.46   32.984  1325.28   49.621  1382.93   44.149   99.313   1.8602  101.457   1.6201 -2.144020 2.466847 
1 1 1    5    4   31 o   70.244   0.8050  662.730   15.187  657.899   22.343  666.878   20.706   69.983   1.1887   70.461   1.0941 -0.4773331 1.615541 
1 1 1    5    4   32 o  151.962   1.3883  3102.45   56.665  3068.98   72.685  3154.31   90.477  151.120   1.7907  153.181   2.1991 -2.060699 2.835961 
1 1 1    5    4   33 o  189.742   1.6023  4837.90   81.659  4823.16  110.328  4855.76  121.435  189.404   2.1687  190.021   2.3793 -0.6170044 3.219401 
1 1 1    5    4   34 o  129.673   1.1178  2259.00   38.932  2295.14   55.537  2224.07   54.591  130.683   1.5822  128.644   1.5799 2.039230 2.235991 
1 1 1    5    4   35 o  116.409   1.0814  1820.57   33.812  1829.70   45.815  1809.66   50.108  116.681   1.4619  116.032   1.6078 0.6496277 2.173074 
1 1 1    5    4   36 o   82.510   1.0436  914.678   23.129  883.700   32.281  947.354   33.154   81.083   1.4823   83.953   1.4703 -2.870087 2.087805 
1 1 1    5    4   37 o   71.700   0.8806  690.638   16.958  692.572   24.024  688.717   23.941   71.787   1.2460   71.587   1.2451 0.2000580 1.761462 
1 1 1    5    4   38 o   47.050   0.7489  297.376   9.4646  296.565   13.410  298.180   13.360   46.979   1.0628   47.107   1.0559 -0.1279335 1.498147 
1 1 1    5    4   39 o   7.1375   2.2105   6.8225   4.6735   9.5575   7.2226   4.8526   6.1297   8.5501   2.7611   6.8221   2.5240 1.728051 3.740912 
1 1 1    5    4   40 o   31.094   0.9950  129.923   8.3100  141.909   12.175  119.470   11.370   32.487   1.3953   29.807   1.4202 2.679575 1.990956 
1 1 1    5    4   41 o   74.729   1.0012  750.486   20.095  749.619   28.675  751.322   28.168   74.659   1.4300   74.745   1.4031 -0.8674622E-01 2.003384 
1 1 1    5    4   42 o   23.533   0.9748   74.432   6.1616   74.031   8.8138   74.816   8.6170   23.418   1.4078   23.546   1.3685 -0.1274834 1.963304 
1 1 1    5    4   43 o   25.931   0.9412   90.379   6.5552   90.579   9.3087   90.182   9.2328   25.915   1.3420   25.858   1.3339 0.5635071E-01 1.892130 
1 1 1    5    4   44 o   64.331   0.7901  556.150   13.652  571.038   19.485  541.796   19.132   65.165   1.1133   63.474   1.1222 1.691086 1.580754 
1 1 1    5    4   45 o   16.242   1.4047   35.775   6.0674   36.410   8.6800   35.168   8.4846   16.301   2.0262   16.018   2.0168 0.2831745 2.858820 
1 1 1    5    4   46 o   71.401   0.8216  685.280   15.757  693.692   22.329  676.937   22.238   71.805   1.1578   70.932   1.1673 0.8735199 1.644056 
1 1 1    5    4   47 o   49.570   0.8952  330.380   11.918  342.465   17.153  319.101   16.572   50.439   1.2662   48.688   1.2673 1.751053 1.791401 
1 1 1    5    4   48 o   49.545   0.8060  330.000   10.726  341.616   15.273  318.694   15.067   50.385   1.1286   48.663   1.1527 1.721844 1.613225 
1 1 1    5    4   49 o   15.987   1.6956   34.875   7.1699   29.926   10.080   39.943   10.200   14.619   2.6654   17.022   2.2891 -2.402337 3.513428 
1 1 1    5    4   50 o   35.920   1.0100  173.608   9.7443  167.622   15.087  177.892   12.764   35.246   1.5937   36.338   1.3078 -1.091644 2.061565 
1 1 1    5    4   51 o   25.493   1.0558   87.481   7.2291   83.270   10.228   91.686   10.219   24.793   1.5435   26.030   1.4677 -1.237461 2.129911 
1 1 1    5    4   52 o   15.347   2.0060   32.450   8.0711   27.214   11.451   37.619   11.378   13.813   3.1556   16.401   2.6750 -2.588273 4.136853 
1 1 1    5    4   53 o   41.235   0.8908  228.796   9.8661  244.251   14.133  214.105   13.780   42.566   1.2361   39.847   1.2875 2.719654 1.784864 
1 1 1    5    4   54 o   38.111   0.9188  195.482   9.4048  197.648   13.285  193.304   13.316   38.281   1.2921   37.856   1.3097 0.4252434 1.839726 
1 1 1    5    4   55 o   50.125   0.9734  338.256   13.105  330.167   16.854  350.626   20.842   49.479   1.2682   50.941   1.5233 -1.462364 1.982097 
1 1 1    5    4   56 o   15.115   1.7890   31.367   7.1220   24.516   10.096   38.153   10.048   13.110   2.9397   16.581   2.3197 -3.471292 3.744717 
1 1 1    5    4   57 o   53.873   0.9716  390.843   14.060  370.078   20.120  410.658   19.655   52.339   1.4312   55.157   1.3267 -2.817936 1.951571 
1 1 1    5    4   58 o   44.391   0.9316  265.393   11.108  262.315   15.664  268.506   15.754   44.069   1.3234   44.588   1.3155 -0.5185242 1.865970 
1 1 1    5    4   59 o   9.4367   2.9649   12.300   8.3738   13.301   11.875   11.310   11.810   10.161   3.5425   9.6963   3.5167 0.4645205 4.991681 
1 1 1    5    4   60 o   12.414   2.6566   22.133   8.5904   39.058   12.390   6.4647   11.921   16.519   2.8982   8.6711   3.4381 7.847845 4.496653 
1 1 1    5    4   61 o   14.830   1.9493   30.635   7.5763   32.201   10.208   28.714   11.305   15.006   2.6286   14.010   3.0874 0.9957237 4.054862 
1 1 1    5    4   62 o   5.4902   2.5313  -6.0724   8.6691 -18.3146   12.285   6.0713   12.235   5.5713   2.6940   8.5772   3.4552 -3.005972 4.381298 
1 1 1    5    4   63 o   14.544   2.4448   30.388   9.2114   39.615   13.050   21.225   13.004   16.376   3.0799   11.884   3.6884 4.492166 4.805257 
1 1 1    5    5    0 o  840.600   9.1036 94992.57  2055.39 94234.25  2893.52 95764.93  2920.19  836.805   12.874  843.572   12.888 -6.766968 18.21664 
1 1 1    5    5    1 f  362.813   2.8041 17681.26  273.257 17804.09  388.200 17560.63  384.711  364.035   3.9703  361.538   3.9618 2.497223 5.608799 
1 1 1    5    5    2 o  480.098   3.6913 30964.73  475.998 30934.99  672.617 30994.56  673.709  479.787   5.2195  480.248   5.2229 -0.4614258 7.383908 
1 1 1    5    5    3 o  391.712   3.3106 20611.53  348.312 20518.92  448.431 20752.39  553.028  390.796   4.2722  392.970   5.2396 -2.173370 6.760547 
1 1 1    5    5    4 o  423.352   3.5729 24076.63  406.271 24304.75  527.759 23744.82  636.510  425.309   4.6200  420.330   5.6380 4.979553 7.289090 
1 1 1    5    5    5 o  534.103   4.1016 38324.95  588.397 38237.00  830.983 38413.39  833.261  533.386   5.8004  534.615   5.8029 -1.228638 8.204799 
1 1 1    5    5    6 o  444.540   3.4232 26546.08  408.733 26261.74  573.631 26839.33  582.543  442.095   4.8309  446.929   4.8529 -4.834045 6.847441 
1 1 1    5    5    7 o  746.344   5.7182 74861.11  1146.27 73878.80  1606.01 75881.16  1636.57  741.164   8.0676  751.135   8.1119 -9.970947 11.44068 
1 1 1    5    5    8 o  267.420   2.0894  9604.89  150.078  9710.46  213.701  9502.16  210.814  268.873   2.9592  265.973   2.9510 2.899445 4.179113 
1 1 1    5    5    9 o  422.571   3.2561 23986.26  369.561 24051.64  523.530 23921.32  521.752  423.096   4.6069  421.949   4.6038 1.147644 6.512930 
1 1 1    5    5   10 o  595.543   5.0058 47657.57  800.723 50239.94  1310.66 46119.78  1011.41  611.200   7.9839  585.749   6.4287 25.45099 10.25045 
1 1 1    5    5   11 o  606.015   5.6971 49357.70  927.320 47766.55  1282.11 51103.20  1342.86  595.949   8.0098  616.401   8.1110 -20.45154 11.39937 
1 1 1    5    5   12 f  286.661   2.7379 11037.68  210.802 11211.27  301.143 10870.88  295.185  288.880   3.8812  284.461   3.8635 4.418732 5.476321 
1 1 1    5    5   13 o  420.816   3.5553 23789.70  401.846 23322.22  511.786 24541.24  648.910  416.616   4.5736  427.303   5.6540 -10.68765 7.272268 
1 1 1    5    5   14 f  322.214   2.6137 13945.56  226.199 14028.92  307.742 13847.59  333.608  323.148   3.5456  321.042   3.8689 2.106293 5.247810 
1 1 1    5    5   15 o  184.903   1.4857  4591.77   73.783  4707.19  105.859  4482.73  102.894  187.205   2.1053  182.687   2.0969 4.517715 2.971461 
1 1 1    5    5   16 o  322.854   2.5075 14001.82  217.439 14234.85  310.800 13778.41  304.312  325.489   3.5551  320.228   3.5381 5.260162 5.015653 
1 1 1    5    5   17 o  319.084   2.4791 13677.27  212.470 13761.01  301.568 13594.74  299.399  320.013   3.5085  318.074   3.5045 1.938843 4.958992 
1 1 1    5    5   18 o  226.466   1.7905  6888.85  108.908  6820.71  152.967  6958.89  155.094  225.323   2.5276  227.593   2.5371 -2.270676 3.581282 
1 1 1    5    5   19 o  163.791   1.3975  3603.29   61.480  3572.60   82.712  3641.18   91.905  163.083   1.8883  164.637   2.0783 -1.553680 2.808045 
1 1 1    5    5   20 o  142.876   1.4594  2741.90   56.006  2833.35   72.118  2602.93   88.898  145.232   1.8488  139.189   2.3779 6.042587 3.012074 
1 1 1    5    5   21 o  173.802   1.5430  4057.54   72.030  4060.11   93.077  4053.69  113.730  173.845   1.9934  173.693   2.4378 0.1523132 3.149033 
1 1 1    5    5   22 o  282.860   2.2105 10749.82  167.937 10742.24  237.384 10757.41  237.613  282.697   3.1264  282.896   3.1272 -0.1995544 4.421909 
1 1 1    5    5   23 o  135.366   1.2500  2461.19   45.446  2497.30   64.879  2426.40   63.679  136.345   1.7716  134.396   1.7641 1.949219 2.500136 
1 1 1    5    5   24 o  128.780   1.5474  2227.73   53.524  2165.03   90.940  2260.96   66.205  126.925   2.6676  129.729   1.9000 -2.804008 3.275070 
1 1 1    5    5   25 o  142.773   1.3091  2737.99   50.199  2764.85   79.669  2720.30   64.647  143.453   2.0677  142.303   1.6914 1.149872 2.671367 
1 1 1    5    5   26 o   73.838   1.3176  732.320   26.131  631.700   49.640  770.890   30.734   68.557   2.6958   75.755   1.5105 -7.198204 3.090129 
1 1 1    5    5   27 o  162.464   1.7468  3545.98   76.224  3548.12  100.737  3543.12  116.584  162.491   2.3082  162.359   2.6735 0.1322021 3.532004 
1 1 1    5    5   28 o  119.769   1.2124  1926.78   39.001  1919.02   58.521  1932.98   52.313  119.512   1.8231  119.952   1.6237 -0.4392700 2.441318 
1 1 1    5    5   29 o  184.524   1.4936  4574.18   74.024  4642.15  105.479  4508.21  103.912  185.859   2.1129  183.158   2.1123 2.700928 2.987670 
1 1 1    5    5   30 o  190.192   1.5355  4859.84   78.440  4893.34  111.368  4826.85  110.500  190.808   2.1730  189.508   2.1709 1.300537 3.071654 
1 1 1    5    5   31 o  158.016   1.7147  3355.16   72.777  3361.47   86.175  3339.46  135.898  158.146   2.0288  157.532   3.2118 0.6140900 3.798893 
1 1 1    5    5   32 o  102.238   0.9425  1404.02   25.882  1396.43   36.466  1411.72   36.741  101.951   1.3317  102.508   1.3345 -0.5564423 1.885260 
1 1 1    5    5   33 o  146.059   1.2280  2866.09   48.175  2875.04   68.212  2857.19   68.049  146.257   1.7364  145.802   1.7377 0.4548035 2.456533 
1 1 1    5    5   34 f   44.878   0.7373  270.521   8.8876  274.637   12.654  266.514   12.486   45.214   1.0420   44.540   1.0437 0.6736526 1.474784 
1 1 1    5    5   35 o   50.288   1.1309  339.777   15.275  350.013   22.051  330.334   21.180   51.027   1.6089   49.573   1.5907 1.454742 2.262519 
1 1 1    5    5   36 o   53.864   0.7750  389.736   11.213  379.042   16.578  398.753   15.222   53.111   1.1622   54.478   1.0403 -1.366604 1.559772 
1 1 1    5    5   37 o   83.236   0.9365  930.832   20.938  935.453   29.684  926.256   29.538   83.424   1.3248   83.013   1.3248 0.4111023 1.873498 
1 1 1    5    5   38 o   78.275   0.8248  823.126   17.340  830.853   24.659  815.567   24.390   78.627   1.1676   77.900   1.1657 0.7265778 1.649902 
1 1 1    5    5   39 o   86.871   0.9436  1014.00   22.016  1006.86   31.112  1021.17   31.158   86.541   1.3385   87.154   1.3310 -0.6131897 1.887649 
1 1 1    5    5   40 o   51.048   0.8699  350.138   11.927  373.542   20.146  337.506   14.800   52.705   1.4231   50.111   1.0996 2.593208 1.798438 
1 1 1    5    5   41 o   92.021   0.9894  1138.01   24.454  1144.79   34.932  1131.50   34.244   92.259   1.4097   91.725   1.3900 0.5349045 1.979720 
1 1 1    5    5   42 o   22.257   1.0852   66.591   6.4875   60.429   9.2874   72.463   9.0660   21.124   1.6500   23.162   1.4649 -2.037529 2.206433 
1 1 1    5    5   43 o   93.648   0.9156  1178.75   23.029  1194.22   32.713  1163.55   32.425   94.222   1.2926   93.003   1.2981 1.218513 1.831894 
1 1 1    5    5   44 o   38.664   0.8536  200.929   8.8647  192.003   12.470  210.049   12.604   37.779   1.2289   39.517   1.1876 -1.737740 1.708949 
1 1 1    5    5   45 o   34.664   0.9509  161.556   8.8536  167.846   12.522  155.268   12.520   35.313   1.3202   33.961   1.3725 1.351990 1.904415 
1 1 1    5    5   46 o   28.216   1.0413  107.080   7.8913  104.163   11.109  110.052   11.212   27.766   1.4951   28.545   1.4674 -0.7793407 2.094829 
1 1 1    5    5   47 o   7.6516   2.4293   7.7918   5.6091   14.882   8.1217   1.3263   7.7560   10.305   2.8421   6.4871   2.6971 3.818279 3.918188 
1 1 1    5    5   48 f   50.558   0.8145  343.651   11.060  345.442   15.671  341.872   15.613   50.662   1.1516   50.400   1.1534 0.2626762 1.629856 
1 1 1    5    5   49 o   34.606   1.0980  161.170   10.206  159.603   13.338  163.383   15.851   34.410   1.4431   34.791   1.6963 -0.3806267 2.227108 
1 1 1    5    5   50 o   78.328   0.9671  825.443   20.345  826.397   28.669  824.474   28.877   78.303   1.3631   78.210   1.3747 0.9355164E-01 1.935940 
1 1 1    5    5   51 o   6.6788   2.6400   3.3941   7.0091   2.7947   9.9906   3.9750   9.8358   7.5354   3.0898   7.7235   3.1026 -0.1881690 4.378741 
1 1 1    5    5   52 o   20.744   1.2611   58.223   6.9930   65.161   9.8617   51.205   9.9178   21.889   1.6905   19.347   1.9346 2.542427 2.569100 
1 1 1    5    5   53 o   27.817   1.0820  104.228   8.0842  110.782   11.240   97.202   11.636   28.606   1.4678   26.765   1.6264 1.840830 2.190776 
1 1 1    5    5   54 o   29.760   1.1307  119.340   9.0381  128.029   13.338  111.963   12.290   30.728   1.6218   28.734   1.5988 1.994253 2.277358 
1 1 1    5    5   55 o   36.666   1.0859  181.117   10.694  189.535   15.444  173.361   14.823   37.450   1.5354   35.815   1.5409 1.634296 2.175287 
1 1 1    5    5   56 o   39.641   0.9481  211.561   10.095  214.156   14.149  208.871   14.407   39.836   1.3224   39.336   1.3637 0.5007286 1.899540 
1 1 1    5    5   57 o   61.169   0.9989  504.017   16.411  483.713   21.649  531.447   25.162   59.851   1.3467   62.694   1.4943 -2.843880 2.011575 
1 1 1    5    5   58 o   76.039   0.9112  778.720   18.610  755.658   26.091  802.604   26.552   74.793   1.2988   77.087   1.2824 -2.293961 1.825209 
1 1 1    5    5   59 o   28.850   1.2051  112.449   9.3383  113.980   14.319  111.316   12.318   28.870   1.8565   28.593   1.6105 0.2770576 2.457676 
1 1 1    5    5   60 o   23.156   1.5433   73.168   9.5439   65.241   13.175   81.919   13.844   21.647   2.3013   24.337   2.1396 -2.689650 3.142274 
1 1 1    5    5   61 o   7.0790   2.8805   3.2829   8.5995  -2.4061   12.275   8.7668   12.051   7.2612   3.2072   9.0900   3.4995 -1.828897 4.746827 
1 1 1    5    5   62 o   25.779   1.4269   90.759   9.8417   87.398   12.963   95.333   15.121   25.120   1.9362   26.141   2.1733 -1.021017 2.910722 
1 1 1    5    5   63 o   25.525   1.4856   89.331   10.141   73.436   14.057  106.581   14.644   22.790   2.3292   27.674   1.9833 -4.883175 3.059195 
1 1 1    6    0  -63 o   17.243   2.5394   44.486   11.013   44.486   11.013   44.486   11.013   17.243   2.5394   17.243   2.5394 0.000000 0.000000 
1 1 1    6    0  -62 o   7.3047   3.9246   11.746   10.620   11.746   10.620   11.746   10.620   7.3047   3.9246   7.3047   3.9246 0.000000 0.000000 
1 1 1    6    0  -61 f   5.3235   3.5259  -1.4936   13.237  -1.4936   13.237  -1.4936   13.237   5.3235   3.5259   5.3235   3.5259 -0.000000 0.000000 
1 1 1    6    0  -60 o   18.506   2.6940   50.283   12.562   50.283   12.562   50.283   12.562   18.506   2.6940   18.506   2.6940 0.000000 0.000000 
1 1 1    6    0  -59 o   25.375   2.0878   89.683   14.007   89.683   14.007   89.683   14.007   25.375   2.0878   25.375   2.0878 -0.000000 0.000000 
1 1 1    6    0  -58 o   56.383   1.6751  432.098   25.316  432.098   25.316  432.098   25.316   56.383   1.6751   56.383   1.6751 0.000000 0.000000 
1 1 1    6    0  -57 o   63.872   1.2508  551.062   21.439  551.062   21.439  551.062   21.439   63.872   1.2508   63.872   1.2508 0.000000 0.000000 
1 1 1    6    0  -56 o   69.929   1.2513  660.182   23.486  660.182   23.486  660.182   23.486   69.929   1.2513   69.929   1.2513 -0.000000 0.000000 
1 1 1    6    0  -55 o   5.6253   3.3873   4.5551   9.2880   4.5551   9.2880   4.5551   9.2880   5.6253   3.3873   5.6253   3.3873 0.000000 0.000000 
1 1 1    6    0  -54 o   50.107   1.2248  339.037   16.462  339.037   16.462  339.037   16.462   50.107   1.2248   50.107   1.2248 0.000000 0.000000 
1 1 1    6    0  -53 o   7.0588   3.8578   9.7962   10.429   9.7962   10.429   9.7962   10.429   7.0588   3.8578   7.0588   3.8578 0.000000 0.000000 
1 1 1    6    0  -52 o   72.367   1.3260  706.513   25.755  706.513   25.755  706.513   25.755   72.367   1.3260   72.367   1.3260 -0.000000 0.000000 
1 1 1    6    0  -51 o   31.050   1.5932  131.069   13.207  131.069   13.207  131.069   13.207   31.050   1.5932   31.050   1.5932 -0.000000 0.000000 
1 1 1    6    0  -50 o   42.303   1.5605  242.224   17.676  242.224   17.676  242.224   17.676   42.303   1.5605   42.303   1.5605 -0.000000 0.000000 
1 1 1    6    0  -49 o   32.049   1.4936  139.267   12.794  139.267   12.794  139.267   12.794   32.049   1.4936   32.049   1.4936 -0.000000 0.000000 
1 1 1    6    0  -48 o   35.840   1.2031  173.403   11.552  173.403   11.552  173.403   11.552   35.840   1.2031   35.840   1.2031 -0.000000 0.000000 
1 1 1    6    0  -47 o   65.619   1.1456  579.672   20.177  579.672   20.177  579.672   20.177   65.619   1.1456   65.619   1.1456 -0.000000 0.000000 
1 1 1    6    0  -46 o   28.636   1.3116  111.011   10.040  111.011   10.040  111.011   10.040   28.636   1.3116   28.636   1.3116 -0.000000 0.000000 
1 1 1    6    0  -45 o   14.916   2.0767   31.674   7.8589   31.674   7.8589   31.674   7.8589   14.916   2.0767   14.916   2.0767 0.000000 0.000000 
1 1 1    6    0  -44 o   74.130   1.1592  739.271   23.067  739.271   23.067  739.271   23.067   74.130   1.1592   74.130   1.1592 -0.000000 0.000000 
1 1 1    6    0  -43 o   4.3284   2.7915  -0.0680   7.5273  -0.0680   7.5273  -0.0680   7.5273   4.3284   2.7915   4.3284   2.7915 -0.000000 0.000000 
1 1 1    6    0  -42 o   7.2622   3.3622   10.385   7.2438   10.385   7.2438   10.385   7.2438   7.2622   3.3622   7.2622   3.3622 -0.000000 0.000000 
1 1 1    6    0  -41 o   40.673   1.1675  222.860   12.731  222.860   12.731  222.860   12.731   40.673   1.1675   40.673   1.1675 0.000000 0.000000 
1 1 1    6    0  -40 o   60.935   1.0799  499.365   17.662  499.365   17.662  499.365   17.662   60.935   1.0799   60.935   1.0799 -0.000000 0.000000 
1 1 1    6    0  -39 o   80.888   1.4661  880.252   31.829  880.252   31.829  880.252   31.829   80.888   1.4661   80.888   1.4661 0.000000 0.000000 
1 1 1    6    0  -38 o   10.293   2.8728   17.196   6.8715   17.196   6.8715   17.196   6.8715   10.293   2.8728   10.293   2.8728 0.000000 0.000000 
1 1 1    6    0  -37 o   22.060   1.4026   66.177   8.2332   66.177   8.2332   66.177   8.2332   22.060   1.4026   22.060   1.4026 -0.000000 0.000000 
1 1 1    6    0  -36 o   14.954   2.1820   31.921   8.2191   31.921   8.2191   31.921   8.2191   14.954   2.1820   14.954   2.1820 0.000000 0.000000 
1 1 1    6    0  -35 o   55.637   1.2820  416.498   19.135  416.498   19.135  416.498   19.135   55.637   1.2820   55.637   1.2820 0.000000 0.000000 
1 1 1    6    0  -34 o  224.073   2.7626  6754.04  166.209  6754.04  166.209  6754.04  166.209  224.073   2.7626  224.073   2.7626 0.000000 0.000000 
1 1 1    6    0  -33 o  143.269   2.4223  2761.07   93.154  2761.07   93.154  2761.07   93.154  143.269   2.4223  143.269   2.4223 -0.000000 0.000000 
1 1 1    6    0  -32 o  184.456   1.8337  4572.35   90.826  4572.35   90.826  4572.35   90.826  184.456   1.8337  184.456   1.8337 -0.000000 0.000000 
1 1 1    6    0  -31 o   79.535   1.6503  850.854   35.221  850.854   35.221  850.854   35.221   79.535   1.6503   79.535   1.6503 -0.000000 0.000000 
1 1 1    6    0  -30 o   66.637   1.1919  596.989   21.317  596.989   21.317  596.989   21.317   66.637   1.1919   66.637   1.1919 -0.000000 0.000000 
1 1 1    6    0  -29 o   13.233   2.0506   25.154   6.7670   25.154   6.7670   25.154   6.7670   13.233   2.0506   13.233   2.0506 -0.000000 0.000000 
1 1 1    6    0  -28 o  116.176   1.4430  1813.65   45.013  1813.65   45.013  1813.65   45.013  116.176   1.4430  116.176   1.4430 -0.000000 0.000000 
1 1 1    6    0  -27 o  143.312   1.8633  2760.20   71.694  2760.20   71.694  2760.20   71.694  143.312   1.8633  143.312   1.8633 0.000000 0.000000 
1 1 1    6    0  -26 o   24.212   1.2455   79.357   8.0510   79.357   8.0510   79.357   8.0510   24.212   1.2455   24.212   1.2455 -0.000000 0.000000 
1 1 1    6    0  -25 o   34.347   1.1844  159.009   10.897  159.009   10.897  159.009   10.897   34.347   1.1844   34.347   1.1844 0.000000 0.000000 
1 1 1    6    0  -24 o  330.711   3.6358 14703.09  322.868 14703.09  322.868 14703.09  322.868  330.711   3.6358  330.711   3.6358 -0.000000 0.000000 
1 1 1    6    0  -23 o   18.440   1.2796   46.323   6.2676   46.323   6.2676   46.323   6.2676   18.440   1.2796   18.440   1.2796 -0.000000 0.000000 
1 1 1    6    0  -22 o  273.495   3.3202 10054.17  243.815 10054.17  243.815 10054.17  243.815  273.495   3.3202  273.495   3.3202 0.000000 0.000000 
1 1 1    6    0  -21 o  355.470   4.2739 16987.31  407.925 16987.31  407.925 16987.31  407.925  355.470   4.2739  355.470   4.2739 0.000000 0.000000 
1 1 1    6    0  -20 o   20.668   1.9254   58.854   10.475   58.854   10.475   58.854   10.475   20.668   1.9254   20.668   1.9254 0.000000 0.000000 
1 1 1    6    0  -19 o  620.867   6.7432 51838.39  1124.20 51838.39  1124.20 51838.39  1124.20  620.867   6.7432  620.867   6.7432 0.000000 0.000000 
1 1 1    6    0  -18 o   46.926   1.5283  296.683   19.217  296.683   19.217  296.683   19.217   46.926   1.5283   46.926   1.5283 -0.000000 0.000000 
1 1 1    6    0  -17 o   60.676   1.2128  495.020   19.747  495.020   19.747  495.020   19.747   60.676   1.2128   60.676   1.2128 -0.000000 0.000000 
1 1 1    6    0  -16 o  260.494   3.5411  9119.43  247.652  9119.43  247.652  9119.43  247.652  260.494   3.5411  260.494   3.5411 0.000000 0.000000 
1 1 1    6    0  -15 o  259.752   4.9927  9073.78  348.032  9073.78  348.032  9073.78  348.032  259.752   4.9927  259.752   4.9927 -0.000000 0.000000 
1 1 1    6    0  -14 o  379.310   5.0822 19337.94  517.565 19337.94  517.565 19337.94  517.565  379.310   5.0822  379.310   5.0822 -0.000000 0.000000 
1 1 1    6    0  -13 f   31.600   0.9168  134.444   7.7667  134.444   7.7667  134.444   7.7667   31.600   0.9168   31.600   0.9168 0.000000 0.000000 
1 1 1    6    0  -12 o  114.092   1.3919  1748.93   42.639  1748.93   42.639  1748.93   42.639  114.092   1.3919  114.092   1.3919 -0.000000 0.000000 
1 1 1    6    0  -11 o  527.878   5.7380 37449.43  813.331 37449.43  813.331 37449.43  813.331  527.878   5.7380  527.878   5.7380 0.000000 0.000000 
1 1 1    6    0  -10 o  139.914   2.3213  2631.28   87.181  2631.28   87.181  2631.28   87.181  139.914   2.3213  139.914   2.3213 -0.000000 0.000000 
1 1 1    6    0   -9 o  658.739   7.1510 58334.84  1264.90 58334.84  1264.90 58334.84  1264.90  658.739   7.1510  658.739   7.1510 0.000000 0.000000 
1 1 1    6    0   -8 o  337.628   4.5472 15321.42  412.186 15321.42  412.186 15321.42  412.186  337.628   4.5472  337.628   4.5472 -0.000000 0.000000 
1 1 1    6    0   -7 o  193.735   3.7924  5047.44  197.167  5047.44  197.167  5047.44  197.167  193.735   3.7924  193.735   3.7924 -0.000000 0.000000 
1 1 1    6    0   -6 o  263.502   3.5711  9331.64  252.635  9331.64  252.635  9331.64  252.635  263.502   3.5711  263.502   3.5711 -0.000000 0.000000 
1 1 1    6    0   -5 o  313.449   3.7755 13203.58  317.751 13203.58  317.751 13203.58  317.751  313.449   3.7755  313.449   3.7755 0.000000 0.000000 
1 1 1    6    0   -4 o  718.302   8.5373 69410.46  1646.58 69410.46  1646.58 69410.46  1646.58  718.302   8.5373  718.302   8.5373 0.000000 0.000000 
1 1 1    6    0   -3 o  196.465   2.7097  5187.30  142.926  5187.30  142.926  5187.30  142.926  196.465   2.7097  196.465   2.7097 -0.000000 0.000000 
1 1 1    6    0   -2 o  764.871   9.0903 78725.14  1866.90 78725.14  1866.90 78725.14  1866.90  764.871   9.0903  764.871   9.0903 -0.000000 0.000000 
1 1 1    6    0   -1 o  396.073   4.3229 21082.69  459.759 21082.69  459.759 21082.69  459.759  396.073   4.3229  396.073   4.3229 0.000000 0.000000 
1 1 1    6    0    0 o  363.386   3.9730 17745.50  387.673 17745.50  387.673 17745.50  387.673  363.386   3.9730  363.386   3.9730 -0.000000 0.000000 
1 1 1    6    0    1 o   74.392   1.2509  743.863   24.979  743.863   24.979  743.863   24.979   74.392   1.2509   74.392   1.2509 0.000000 0.000000 
1 1 1    6    0    2 o   51.535   1.0388  357.107   14.366  357.107   14.366  357.107   14.366   51.535   1.0388   51.535   1.0388 0.000000 0.000000 
1 1 1    6    0    3 o  740.304   8.0296 73715.02  1596.18 73715.02  1596.18 73715.02  1596.18  740.304   8.0296  740.304   8.0296 0.000000 0.000000 
1 1 1    6    0    4 o  126.613   1.8390  2154.37   62.510  2154.37   62.510  2154.37   62.510  126.613   1.8390  126.613   1.8390 -0.000000 0.000000 
1 1 1    6    0    5 o  190.297   2.1472  4865.49  109.718  4865.49  109.718  4865.49  109.718  190.297   2.1472  190.297   2.1472 -0.000000 0.000000 
1 1 1    6    0    6 o   43.183   0.9850  250.826   11.411  250.826   11.411  250.826   11.411   43.183   0.9850   43.183   0.9850 0.000000 0.000000 
1 1 1    6    0    7 o  136.056   1.7502  2487.34   63.934  2487.34   63.934  2487.34   63.934  136.056   1.7502  136.056   1.7502 -0.000000 0.000000 
1 1 1    6    0    8 o  169.848   2.1241  3876.25   96.869  3876.25   96.869  3876.25   96.869  169.848   2.1241  169.848   2.1241 0.000000 0.000000 
1 1 1    6    0    9 o   82.182   1.2022  907.621   26.523  907.621   26.523  907.621   26.523   82.182   1.2022   82.182   1.2022 0.000000 0.000000 
1 1 1    6    0   10 o  221.785   2.4781  6608.74  147.577  6608.74  147.577  6608.74  147.577  221.785   2.4781  221.785   2.4781 -0.000000 0.000000 
1 1 1    6    0   11 o  236.908   2.8882  7541.46  183.716  7541.46  183.716  7541.46  183.716  236.908   2.8882  236.908   2.8882 -0.000000 0.000000 
1 1 1    6    0   12 o  502.788   5.4689 33972.59  738.346 33972.59  738.346 33972.59  738.346  502.788   5.4689  502.788   5.4689 -0.000000 0.000000 
1 1 1    6    0   13 f  161.667   3.2238  3514.56  139.858  3514.56  139.858  3514.56  139.858  161.667   3.2238  161.667   3.2238 0.000000 0.000000 
1 1 1    6    0   14 o  324.788   5.0471 14180.82  440.043 14180.82  440.043 14180.82  440.043  324.788   5.0471  324.788   5.0471 0.000000 0.000000 
1 1 1    6    0   15 o  379.079   4.1448 19309.26  421.900 19309.26  421.900 19309.26  421.900  379.079   4.1448  379.079   4.1448 -0.000000 0.000000 
1 1 1    6    0   16 o  254.406   3.9949  8700.16  272.822  8700.16  272.822  8700.16  272.822  254.406   3.9949  254.406   3.9949 0.000000 0.000000 
1 1 1    6    0   17 o   75.850   1.1748  773.195   23.921  773.195   23.921  773.195   23.921   75.850   1.1748   75.850   1.1748 -0.000000 0.000000 
1 1 1    6    0   18 o  301.989   4.0787 12257.77  330.694 12257.77  330.694 12257.77  330.694  301.989   4.0787  301.989   4.0787 0.000000 0.000000 
1 1 1    6    0   19 o  699.118   7.5873 65746.45  1424.34 65746.45  1424.34 65746.45  1424.34  699.118   7.5873  699.118   7.5873 -0.000000 0.000000 
1 1 1    6    0   20 o  430.178   5.1470 24880.71  594.501 24880.71  594.501 24880.71  594.501  430.178   5.1470  430.178   5.1470 -0.000000 0.000000 
1 1 1    6    0   22 o   73.811   1.5490  732.683   30.678  732.683   30.678  732.683   30.678   73.811   1.5490   73.811   1.5490 -0.000000 0.000000 
1 1 1    6    0   23 o   15.891   1.4530   34.759   6.0823   34.759   6.0823   34.759   6.0823   15.891   1.4530   15.891   1.4530 -0.000000 0.000000 
1 1 1    6    0   24 o  159.058   2.6259  3401.59  112.113  3401.59  112.113  3401.59  112.113  159.058   2.6259  159.058   2.6259 0.000000 0.000000 
1 1 1    6    0   25 o  109.567   1.6917  1613.61   49.759  1613.61   49.759  1613.61   49.759  109.567   1.6917  109.567   1.6917 -0.000000 0.000000 
1 1 1    6    0   26 o  186.350   2.1269  4666.59  106.422  4666.59  106.422  4666.59  106.422  186.350   2.1269  186.350   2.1269 -0.000000 0.000000 
1 1 1    6    0   27 o  186.311   2.1280  4664.71  106.459  4664.71  106.459  4664.71  106.459  186.311   2.1280  186.311   2.1280 -0.000000 0.000000 
1 1 1    6    0   28 o  127.516   1.5493  2185.00   53.046  2185.00   53.046  2185.00   53.046  127.516   1.5493  127.516   1.5493 0.000000 0.000000 
1 1 1    6    0   29 o  168.718   2.3901  3826.75  108.262  3826.75  108.262  3826.75  108.262  168.718   2.3901  168.718   2.3901 -0.000000 0.000000 
1 1 1    6    0   30 o  351.228   3.8616 16593.53  364.196 16593.53  364.196 16593.53  364.196  351.228   3.8616  351.228   3.8616 0.000000 0.000000 
1 1 1    6    0   31 o  133.901   1.9803  2410.35   71.187  2410.35   71.187  2410.35   71.187  133.901   1.9803  133.901   1.9803 0.000000 0.000000 
1 1 1    6    0   32 o   57.676   1.7455  448.120   26.985  448.120   26.985  448.120   26.985   57.676   1.7455   57.676   1.7455 -0.000000 0.000000 
1 1 1    6    0   33 o  157.862   1.8514  3349.59   78.476  3349.59   78.476  3349.59   78.476  157.862   1.8514  157.862   1.8514 0.000000 0.000000 
1 1 1    6    0   34 o   78.658   1.6904  832.425   35.675  832.425   35.675  832.425   35.675   78.658   1.6904   78.658   1.6904 -0.000000 0.000000 
1 1 1    6    0   35 o   17.503   1.6536   42.254   7.6144   42.254   7.6144   42.254   7.6144   17.503   1.6536   17.503   1.6536 0.000000 0.000000 
1 1 1    6    0   36 o   15.207   2.2005   32.978   8.4406   32.978   8.4406   32.978   8.4406   15.207   2.2005   15.207   2.2005 -0.000000 0.000000 
1 1 1    6    0   37 o   10.224   3.5001   18.258   8.6337   18.258   8.6337   18.258   8.6337   10.224   3.5001   10.224   3.5001 0.000000 0.000000 
1 1 1    6    0   38 o  131.955   1.6107  2341.40   57.069  2341.40   57.069  2341.40   57.069  131.955   1.6107  131.955   1.6107 0.000000 0.000000 
1 1 1    6    0   39 o   81.668   1.2892  896.924   28.263  896.924   28.263  896.924   28.263   81.668   1.2892   81.668   1.2892 -0.000000 0.000000 
1 1 1    6    0   40 o   72.001   1.1348  697.108   21.933  697.108   21.933  697.108   21.933   72.001   1.1348   72.001   1.1348 0.000000 0.000000 
1 1 1    6    0   41 o   87.341   1.3401  1026.05   31.422  1026.05   31.422  1026.05   31.422   87.341   1.3401   87.341   1.3401 -0.000000 0.000000 
1 1 1    6    0   42 o   57.496   1.0848  444.715   16.740  444.715   16.740  444.715   16.740   57.496   1.0848   57.496   1.0848 0.000000 0.000000 
1 1 1    6    0   43 o   80.376   1.1988  868.963   25.867  868.963   25.867  868.963   25.867   80.376   1.1988   80.376   1.1988 0.000000 0.000000 
1 1 1    6    0   44 o   44.158   1.4320  263.093   16.944  263.093   16.944  263.093   16.944   44.158   1.4320   44.158   1.4320 -0.000000 0.000000 
1 1 1    6    0   45 o  140.145   2.1012  2649.82   79.054  2649.82   79.054  2649.82   79.054  140.145   2.1012  140.145   2.1012 -0.000000 0.000000 
1 1 1    6    0   46 o   16.247   2.0027   37.169   8.3828   37.169   8.3828   37.169   8.3828   16.247   2.0027   16.247   2.0027 0.000000 0.000000 
1 1 1    6    0   47 o   8.7130   3.4933   14.265   7.9422   14.265   7.9422   14.265   7.9422   8.7130   3.4933   8.7130   3.4933 0.000000 0.000000 
1 1 1    6    0   48 o   54.874   1.3870  406.164   20.413  406.164   20.413  406.164   20.413   54.874   1.3870   54.874   1.3870 0.000000 0.000000 
1 1 1    6    0   49 o   11.698   3.2751   22.407   8.9052   22.407   8.9052   22.407   8.9052   11.698   3.2751   11.698   3.2751 -0.000000 0.000000 
1 1 1    6    0   50 o   16.278   2.2161   37.759   9.1811   37.759   9.1811   37.759   9.1811   16.278   2.2161   16.278   2.2161 0.000000 0.000000 
1 1 1    6    0   51 o   61.536   1.2588  510.604   20.787  510.604   20.787  510.604   20.787   61.536   1.2588   61.536   1.2588 0.000000 0.000000 
1 1 1    6    0   52 o   66.394   1.1899  594.256   21.204  594.256   21.204  594.256   21.204   66.394   1.1899   66.394   1.1899 -0.000000 0.000000 
1 1 1    6    0   53 o   17.472   2.2143   43.351   9.9366   43.351   9.9366   43.351   9.9366   17.472   2.2143   17.472   2.2143 0.000000 0.000000 
1 1 1    6    0   54 o   34.538   1.5782  162.189   14.571  162.189   14.571  162.189   14.571   34.538   1.5782   34.538   1.5782 -0.000000 0.000000 
1 1 1    6    0   55 o   17.755   3.1330   46.991   13.552   46.991   13.552   46.991   13.552   17.755   3.1330   17.755   3.1330 0.000000 0.000000 
1 1 1    6    0   56 o   19.307   2.0851   52.354   10.493   52.354   10.493   52.354   10.493   19.307   2.0851   19.307   2.0851 0.000000 0.000000 
1 1 1    6    0   57 o   29.405   1.5516  117.907   12.176  117.907   12.176  117.907   12.176   29.405   1.5516   29.405   1.5516 0.000000 0.000000 
1 1 1    6    0   58 o   18.424   2.5941   49.145   12.105   49.145   12.105   49.145   12.105   18.424   2.5941   18.424   2.5941 0.000000 0.000000 
1 1 1    6    0   59 o   41.501   1.3293  233.644   14.783  233.644   14.783  233.644   14.783   41.501   1.3293   41.501   1.3293 0.000000 0.000000 
1 1 1    6    0   60 o   24.968   1.7764   86.266   11.774   86.266   11.774   86.266   11.774   24.968   1.7764   24.968   1.7764 0.000000 0.000000 
1 1 1    6    0   61 f   30.389   1.5765  126.882   12.789  126.882   12.789  126.882   12.789   30.389   1.5765   30.389   1.5765 0.000000 0.000000 
1 1 1    6    0   62 o   30.235   1.5789  126.019   12.742  126.019   12.742  126.019   12.742   30.235   1.5789   30.235   1.5789 0.000000 0.000000 
1 1 1    6    0   63 o   7.7507   4.5910   13.410   16.534   13.410   16.534   13.410   16.534   7.7507   4.5910   7.7507   4.5910 0.000000 0.000000 
1 1 1    6    1  -63 o   14.706   1.9260   30.270   7.4246   30.206   10.711   30.329   10.301   14.360   2.8774   14.435   2.7574 -0.7487392E-01 3.985277 
1 1 1    6    1  -62 o   11.028   2.8648   17.768   8.5621   19.446   11.859   15.941   12.375   11.523   3.5130   10.699   3.6203 0.8239594 5.044553 
1 1 1    6    1  -61 o   14.212   2.0699   28.260   7.6693   34.839   10.943   21.910   10.751   15.616   2.7073   12.229   3.2264 3.386242 4.211769 
1 1 1    6    1  -60 o   9.0266   2.9170   11.105   8.0602   14.721   10.778   6.5168   12.141   10.344   3.3753   8.7521   3.4698 1.592189 4.840701 
1 1 1    6    1  -59 o   28.875   1.1354  112.489   8.8054  112.002   12.478  112.973   12.428   28.699   1.6254   28.826   1.6116 -0.1274834 2.288949 
1 1 1    6    1  -58 o   16.819   1.8397   38.828   8.1751   42.308   12.169   35.966   11.036   17.365   2.6966   15.991   2.6632 1.373842 3.790050 
1 1 1    6    1  -57 o   59.688   0.9256  479.589   14.838  467.266   19.901  495.015   22.267   58.857   1.2589   60.555   1.3690 -1.698242 1.859841 
1 1 1    6    1  -56 o   59.852   0.8623  482.013   13.861  484.467   19.614  479.564   19.592   59.946   1.2182   59.641   1.2231 0.3050919 1.726215 
1 1 1    6    1  -55 f   35.134   0.9685  166.173   9.1397  162.200   12.935  170.133   12.916   34.667   1.3892   35.509   1.3542 -0.8419838 1.940065 
1 1 1    6    1  -54 o   45.722   0.8834  281.292   10.849  280.754   15.320  281.833   15.365   45.633   1.2499   45.721   1.2512 -0.8748245E-01 1.768555 
1 1 1    6    1  -53 o   49.485   0.9855  329.612   13.098  336.770   18.573  322.531   18.474   49.963   1.3840   48.892   1.4068 1.071323 1.973464 
1 1 1    6    1  -52 o   57.173   0.8876  439.727   13.630  439.174   19.383  440.267   19.171   57.087   1.2641   57.160   1.2487 -0.7338333E-01 1.776880 
1 1 1    6    1  -51 o   30.605   0.9704  126.019   7.9769  107.546   11.045  146.160   11.533   28.203   1.4631   32.936   1.3037 -4.733147 1.959680 
1 1 1    6    1  -50 o   41.510   1.1387  231.935   12.696  243.910   17.976  220.018   17.932   42.525   1.5739   40.379   1.6535 2.145512 2.282745 
1 1 1    6    1  -49 o   9.6118   2.6319   12.943   6.9939   9.6984   9.8614   16.227   9.9206   9.0590   3.2222   10.817   3.1941 -1.757967 4.537081 
1 1 1    6    1  -48 o   42.638   0.8258  244.405   9.4572  239.394   13.218  249.661   13.536   42.177   1.1668   43.072   1.1701 -0.8947144 1.652429 
1 1 1    6    1  -47 o   31.470   0.8941  133.152   7.5573  138.909   10.806  127.641   10.573   32.126   1.2523   30.794   1.2783 1.332005 1.789546 
1 1 1    6    1  -46 o   87.768   0.8934  1035.58   21.061  1028.92   29.663  1042.35   29.909   87.441   1.2630   88.010   1.2653 -0.5686874 1.787764 
1 1 1    6    1  -45 o   16.528   1.2952   36.981   5.7037   40.684   8.0025   33.157   8.1315   17.288   1.7474   15.553   1.9924 1.735483 2.650096 
1 1 1    6    1  -44 o   23.271   0.9996   72.798   6.2481   70.840   8.7378   74.846   8.9380   22.900   1.4277   23.542   1.4202 -0.6417065 2.013780 
1 1 1    6    1  -43 o   30.151   0.9116  122.173   7.3823  112.636   10.368  131.982   10.514   28.939   1.3338   31.329   1.2495 -2.389624 1.827677 
1 1 1    6    1  -42 o   52.554   0.8141  371.090   11.491  368.038   16.248  374.144   16.254   52.324   1.1561   52.757   1.1470 -0.4327011 1.628606 
1 1 1    6    1  -41 o   79.186   0.9126  842.550   19.410  859.415   27.709  826.299   27.200   79.953   1.2903   78.398   1.2917 1.555672 1.825751 
1 1 1    6    1  -40 o   62.010   0.7640  516.576   12.725  518.645   17.993  514.506   17.999   62.124   1.0784   61.875   1.0830 0.2485428 1.528345 
1 1 1    6    1  -39 o   74.990   0.8938  755.530   18.003  765.175   25.612  746.112   25.310   75.451   1.2638   74.505   1.2648 0.9458008 1.787988 
1 1 1    6    1  -38 o   42.024   1.1078  237.305   12.504  224.275   21.958  243.557   15.210   40.827   2.0024   42.568   1.3303 -1.741516 2.404073 
1 1 1    6    1  -37 o  135.152   1.3406  2454.88   48.665  2448.96   72.985  2459.62   65.300  134.925   2.0140  135.242   1.7977 -0.3166351 2.699556 
1 1 1    6    1  -36 f  116.867   1.0800  1834.96   33.900  1789.65   45.424  1891.91   50.929  115.395   1.4656  118.637   1.5983 -3.242294 2.168515 
1 1 1    6    1  -35 o  134.222   1.7859  2421.74   64.383  2581.37  104.764  2324.86   81.614  138.476   2.8167  131.468   2.3113 7.008759 3.643629 
1 1 1    6    1  -34 o   47.299   0.8969  300.510   11.394  323.957   19.055  287.460   14.216   49.102   1.4448   46.258   1.1442 2.843964 1.843017 
1 1 1    6    1  -33 o   67.910   0.8478  619.442   15.464  596.849   21.585  643.265   22.165   66.655   1.2057   69.199   1.1925 -2.543518 1.695805 
1 1 1    6    1  -32 o  215.902   1.9882  6264.56  115.295  6231.28  154.084  6306.89  173.792  215.265   2.6650  216.530   2.9883 -1.265533 4.003976 
1 1 1    6    1  -31 o  102.481   1.1566  1410.73   31.837  1434.47   40.551  1372.58   51.403  103.333   1.4611  101.068   1.8936 2.265472 2.391737 
1 1 1    6    1  -30 o  208.051   1.9220  5816.02  107.400  5920.84  162.692  5735.06  142.982  209.848   2.8865  206.555   2.5772 3.293930 3.869613 
1 1 1    6    1  -29 o  185.098   1.7310  4602.87   86.059  4699.11  130.796  4529.39  114.281  186.979   2.6044  183.587   2.3176 3.391541 3.486289 
1 1 1    6    1  -28 o   95.073   1.0858  1214.04   27.726  1221.35   39.405  1206.88   39.019   95.352   1.5386   94.786   1.5326 0.5663605 2.171700 
1 1 1    6    1  -27 o  195.385   2.0520  5129.01  107.688  4940.71  160.554  5283.00  145.190  191.709   3.1181  198.262   2.7265 -6.553391 4.141992 
1 1 1    6    1  -26 o   83.507   1.0766  936.605   24.147  951.643   32.146  917.131   36.580   84.171   1.4219   82.628   1.6483 1.543175 2.176821 
1 1 1    6    1  -25 o  312.657   2.8104 13137.72  236.009 13389.92  358.268 12944.38  313.691  315.495   4.2279  310.256   3.7643 5.239380 5.660862 
1 1 1    6    1  -24 o   91.547   0.9884  1125.61   24.303  1102.88   32.308  1155.23   36.885   90.615   1.3274   92.739   1.4808 -2.124023 1.988692 
1 1 1    6    1  -23 f  279.025   2.1823 10459.87  163.550 10553.66  232.664 10368.26  229.949  280.215   3.0913  277.744   3.0824 2.471619 4.365519 
1 1 1    6    1  -22 o  346.994   2.6913 16178.90  250.827 16058.23  352.843 16302.19  356.634  345.600   3.8012  348.215   3.8131 -2.614044 5.384127 
1 1 1    6    1  -21 o  347.232   2.9510 16201.39  275.224 16261.99  389.949 16141.25  388.506  347.779   4.1746  346.486   4.1746 1.293488 5.903787 
1 1 1    6    1  -20 o  130.389   1.1536  2283.35   40.400  2310.04   60.248  2261.55   54.458  131.143   1.7104  129.760   1.5625 1.381943 2.316700 
1 1 1    6    1  -19 o   56.878   0.9568  434.475   14.617  455.092   20.970  414.991   20.386   58.210   1.3413   55.587   1.3654 2.623814 1.913985 
1 1 1    6    1  -18 o  413.119   3.1876 22928.56  353.696 22312.87  491.351 23590.70  509.549  407.459   4.4897  418.961   4.5281 -11.50214 6.376630 
1 1 1    6    1  -17 o  181.348   1.4603  4416.88   71.129  4495.76  101.705  4341.35   99.513  182.954   2.0697  179.785   2.0608 3.169296 2.920717 
1 1 1    6    1  -16 o  368.893   2.8526 18279.19  282.640 18168.55  398.061 18391.68  401.387  367.736   4.0302  369.986   4.0391 -2.250824 5.705839 
1 1 1    6    1  -15 o  760.395   6.7282 77734.05  1374.14 78194.96  1850.58 77167.60  2051.58  762.314   9.0382  757.107   10.089 5.206360 13.54520 
1 1 1    6    1  -14 o  268.163   3.2475  9659.65  233.908  9607.26  367.996  9695.17  302.990  267.387   5.1240  268.634   4.1993 -1.246490 6.624924 
1 1 1    6    1  -13 o  441.666   3.7261 26204.77  442.023 25731.15  690.610 26533.43  575.300  437.558   5.8763  444.382   4.8200 -6.823456 7.600217 
1 1 1    6    1  -12 o  351.256   2.7185 16572.13  256.478 16565.59  362.537 16578.67  362.893  351.159   3.8438  351.297   3.8460 -0.1384888 5.437501 
1 1 1    6    1  -11 o  155.008   1.2159  3226.91   50.624  3237.36   69.105  3214.79   74.371  155.257   1.6572  154.714   1.7897 0.5430145 2.439116 
1 1 1    6    1  -10 o  284.399   2.4289 10863.68  185.539 10935.11  263.526 10793.46  261.273  285.314   3.4388  283.460   3.4317 1.853699 4.858192 
1 1 1    6    1   -9 o  234.737   2.1335  7400.71  134.511  7242.73  199.005  7533.60  182.517  232.203   3.1908  236.825   2.8694 -4.622238 4.291230 
1 1 1    6    1   -8 o  216.346   1.8747  6286.35  108.935  6177.51  152.356  6400.18  155.816  214.455   2.6450  218.286   2.6576 -3.830643 3.749561 
1 1 1    6    1   -7 o  118.831   1.5689  1896.49   50.075  1893.86   64.462  1900.50   79.518  118.746   2.0211  118.950   2.4889 -0.2043991 3.206188 
1 1 1    6    1   -6 o  154.618   1.7836  3210.86   74.070  3302.93  106.614  3124.95  102.983  156.811   2.5313  152.528   2.5138 4.283356 3.567421 
1 1 1    6    1   -5 o  202.680   1.7622  5517.30   95.933  5614.68  153.363  5454.71  122.959  204.446   2.7929  201.521   2.2717 2.925186 3.600083 
1 1 1    6    1   -4 o  131.431   1.2014  2319.96   42.412  2293.66   66.719  2337.79   54.941  130.680   1.9009  131.933   1.5504 -1.253815 2.452975 
1 1 1    6    1   -3 o  648.902   4.9764 56596.59  867.331 57776.88  1242.89 55476.23  1210.92  655.350   7.0610  642.176   7.0205 13.17419 9.957179 
1 1 1    6    1   -2 o  458.413   3.5270 28233.63  434.269 28565.23  618.815 27911.86  609.588  460.994   4.9977  455.693   4.9805 5.301300 7.055680 
1 1 1    6    1   -1 o  465.675   3.7424 29137.08  468.089 29157.88  694.358 29119.76  633.743  465.701   5.5512  465.439   5.0694 0.2618408 7.517614 
1 1 1    6    1    0 o  171.640   1.5131  3956.74   69.755  4011.53   99.492  3903.75   97.827  172.818   2.1434  170.480   2.1365 2.337326 3.026335 
1 1 1    6    1    1 o  392.579   3.0283 20704.28  319.317 20850.91  453.548 20560.15  449.643  393.902   4.2869  391.147   4.2799 2.755676 6.057655 
1 1 1    6    1    2 o  351.491   2.7182 16596.03  256.621 16553.22  362.309 16639.13  363.526  350.991   3.8432  351.901   3.8461 -0.9094238 5.437161 
1 1 1    6    1    3 o  116.064   1.2943  1809.19   40.349  1790.40   61.324  1823.54   53.581  115.455   1.9775  116.521   1.7120 -1.065712 2.615671 
1 1 1    6    1    4 o  216.195   1.7075  6277.62   99.148  6303.23  140.616  6252.28  139.822  216.625   2.4168  215.748   2.4129 0.8772736 3.415071 
1 1 1    6    1    5 o  107.057   0.9301  1539.24   26.745  1506.85   37.424  1573.05   38.237  105.924   1.3154  108.225   1.3154 -2.301727 1.860275 
1 1 1    6    1    6 o  331.376   2.5670 14749.89  228.474 14717.66  322.686 14782.29  323.537  330.981   3.6298  331.707   3.6314 -0.7258911 5.134472 
1 1 1    6    1    7 o  666.508   5.9003 59715.55  1056.26 60364.66  1427.20 58929.41  1570.64  669.862   7.9324  661.713   8.8372 8.148987 11.87517 
1 1 1    6    1    8 o  319.671   2.4803 13725.79  212.960 13524.82  326.808 13874.11  280.754  317.287   3.8348  321.375   3.2525 -4.088043 5.028419 
1 1 1    6    1    9 o  155.765   1.3923  3258.53   58.251  3221.57   81.775  3296.60   82.996  154.876   1.9658  156.669   1.9724 -1.792984 2.784719 
1 1 1    6    1   10 o  527.194   4.2300 37340.37  598.968 37613.27  998.169 37186.81  748.756  528.930   7.0261  526.049   5.2993 2.881042 8.800512 
1 1 1    6    1   11 o  361.112   3.0597 17516.04  296.766 17268.64  464.777 17686.33  385.606  358.499   4.8269  362.839   3.9567 -4.339966 6.241348 
1 1 1    6    1   12 o  577.318   4.6298 44780.92  717.903 44233.59  1056.36 45250.67  978.628  573.622   6.8564  580.226   6.2795 -6.604431 9.297435 
1 1 1    6    1   13 o  404.150   3.4157 21941.01  370.776 21936.26  524.144 21945.77  524.568  404.055   4.8297  404.142   4.8325 -0.8743286E-01 6.832219 
1 1 1    6    1   14 o  417.098   3.5235 23369.98  394.733 23248.51  508.202 23554.72  626.720  415.974   4.5486  418.655   5.5735 -2.681824 7.193975 
1 1 1    6    1   15 o   77.428   1.0886  805.133   22.639  794.621   27.462  827.430   39.996   76.920   1.3292   78.490   1.8972 -1.570229 2.316506 
1 1 1    6    1   16 o  480.473   3.6964 31014.00  477.022 30757.41  670.980 31276.22  678.302  478.395   5.2219  482.412   5.2350 -4.016998 7.394134 
1 1 1    6    1   17 o  307.741   2.3944 12720.61  197.913 12762.73  280.588 12678.90  279.200  308.223   3.3893  307.209   3.3837 1.013824 4.789237 
1 1 1    6    1   18 o  460.388   3.5461 28478.24  438.494 28531.11  620.865 28425.62  619.387  460.707   5.0174  459.855   5.0147 0.8522034 7.093811 
1 1 1    6    1   19 o  191.206   2.1703  4910.88  111.459  4922.97  136.643  4886.85  192.674  191.431   2.6576  190.697   3.7617 0.7341919 4.605768 
1 1 1    6    1   20 o  332.481   2.9811 14852.85  266.217 14760.25  355.606 14970.93  401.540  331.378   3.9953  333.697   4.4801 -2.318665 6.002804 
1 1 1    6    1   21 o  203.261   1.6950  5549.52   92.536  5707.73  139.593  5425.48  123.595  206.115   2.5215  200.961   2.2898 5.153412 3.406061 
1 1 1    6    1   22 o  141.232   1.8262  2679.41   69.275  2551.06  106.459  2773.67   91.234  137.781   2.8767  143.682   2.3641 -5.900742 3.723501 
1 1 1    6    1   23 f  138.881   1.4308  2590.73   53.371  2547.73   86.470  2617.19   67.833  137.703   2.3379  139.581   1.8094 -1.877563 2.956279 
1 1 1    6    1   24 o  138.014   1.1612  2558.35   43.046  2565.93   60.986  2550.82   60.766  138.210   1.6429  137.802   1.6418 0.4075775 2.322587 
1 1 1    6    1   25 o  110.699   1.0762  1645.89   31.997  1645.12   41.286  1647.05   50.634  110.670   1.3889  110.729   1.7025 -0.5973053E-01 2.197181 
1 1 1    6    1   26 o  132.116   1.1741  2344.40   41.664  2304.74   61.272  2378.50   56.821  130.983   1.7416  133.066   1.5898 -2.082626 2.358155 
1 1 1    6    1   27 o  272.077   2.2282  9946.55  162.829  9995.72  242.332  9906.07  219.854  272.664   3.3090  271.465   3.0153 1.198975 4.476741 
1 1 1    6    1   28 o  171.703   1.5318  3960.33   70.644  4001.34  100.561  3920.38   99.262  172.566   2.1696  170.812   2.1636 1.754456 3.064036 
1 1 1    6    1   29 o   86.826   0.9694  1012.53   22.607  991.041   33.440  1030.62   30.680   85.893   1.4495   87.594   1.3040 -1.700645 1.949747 
1 1 1    6    1   30 o  135.097   1.2595  2451.59   45.702  2500.26   72.968  2420.17   58.626  136.408   1.9916  134.218   1.6262 2.190048 2.571203 
1 1 1    6    1   31 o   38.679   0.9346  200.947   9.7093  212.589   20.186  197.443   11.075   39.775   1.8895   38.340   1.0754 1.435623 2.174085 
1 1 1    6    1   32 o  126.382   1.1973  2145.58   40.643  2199.00   53.068  2069.79   63.210  127.934   1.5444  124.105   1.8963 3.829231 2.445618 
1 1 1    6    1   33 o  118.750   1.0956  1894.25   34.946  1920.54   52.305  1873.06   46.966  119.552   1.6289  118.071   1.4810 1.481094 2.201505 
1 1 1    6    1   34 o  124.075   1.0393  2068.00   34.635  2058.61   50.887  2076.10   47.275  123.773   1.5307  124.303   1.4160 -0.5301895 2.085182 
1 1 1    6    1   35 o   75.006   0.8742  755.717   17.611  734.904   24.526  777.870   25.303   73.958   1.2347   76.089   1.2381 -2.131165 1.748520 
1 1 1    6    1   36 f   37.555   0.8209  189.457   8.2807  194.178   11.692  184.706   11.729   38.016   1.1451   37.077   1.1778 0.9392776 1.642704 
1 1 1    6    1   37 o   58.919   0.9176  466.360   14.521  474.935   20.737  458.111   20.341   59.447   1.2987   58.385   1.2971 1.062366 1.835518 
1 1 1    6    1   38 o   27.569   0.9029  102.109   6.6856   98.044   9.6594  105.848   9.2629   27.008   1.3316   28.064   1.2288 -1.056114 1.811942 
1 1 1    6    1   39 o  134.848   1.2114  2443.94   43.876  2394.20   64.349  2487.15   59.982  133.406   1.7959  135.991   1.6422 -2.584183 2.433481 
1 1 1    6    1   40 o   14.989   1.4181   30.479   5.6413   25.320   8.0023   35.575   7.9539   13.526   2.2840   16.152   1.8679 -2.625875 2.950491 
1 1 1    6    1   41 o   94.797   0.9944  1207.62   25.318  1188.07   35.570  1227.71   36.046   93.996   1.4089   95.552   1.4045 -1.555626 1.989388 
1 1 1    6    1   42 o   85.199   0.8669  975.368   19.837  977.502   28.055  973.234   28.054   85.269   1.2250   85.082   1.2276 0.1865540 1.734244 
1 1 1    6    1   43 o   61.865   0.7796  514.257   12.955  522.539   18.445  506.196   18.199   62.346   1.1015   61.363   1.1042 0.9828644 1.559694 
1 1 1    6    1   44 o   73.431   0.9047  724.719   17.844  716.869   25.063  732.788   25.411   73.003   1.2782   73.809   1.2818 -0.8057785 1.810207 
1 1 1    6    1   45 o   53.631   0.7678  386.525   11.061  382.971   15.598  390.121   15.687   53.365   1.0882   53.861   1.0843 -0.4960976 1.536214 
1 1 1    6    1   46 o   46.087   0.8919  285.540   11.041  286.724   15.506  284.321   15.725   46.160   1.2507   45.965   1.2737 0.1955147 1.785090 
1 1 1    6    1   47 o   39.986   0.8256  214.931   8.8669  215.025   12.509  214.836   12.570   39.976   1.1650   39.958   1.1713 0.1804733E-01 1.652022 
1 1 1    6    1   48 o   48.423   0.9761  315.345   12.695  296.411   17.504  336.357   18.440   46.912   1.3892   49.975   1.3738 -3.062832 1.953723 
1 1 1    6    1   49 o   23.250   1.1191   72.743   6.9883   79.624   9.8722   65.832   9.8939   24.257   1.5230   22.026   1.6852 2.230433 2.271396 
1 1 1    6    1   50 o   11.011   2.1498   16.970   6.1294   9.8280   8.7426   23.873   8.5959   8.8640   3.0425   13.041   2.5455 -4.176717 3.966886 
1 1 1    6    1   51 o   71.324   0.8834  684.206   16.923  706.049   25.104  666.010   22.912   72.391   1.2911   70.322   1.2131 2.069267 1.771588 
1 1 1    6    1   52 o   32.557   0.9488  142.626   8.2966  162.964   11.890  123.326   11.582   34.774   1.2730   30.237   1.4261 4.536787 1.911664 
1 1 1    6    1   53 o   45.405   0.9347  277.437   11.399  276.241   17.244  278.365   15.191   45.246   1.4189   45.444   1.2446 -0.1984711 1.887394 
1 1 1    6    1   54 o   26.364   1.1938   93.676   8.4537   79.253   12.581  105.549   11.414   24.099   1.9607   27.912   1.5284 -3.812664 2.485991 
1 1 1    6    1   55 f   25.885   1.3700   90.667   9.4911   98.860   13.228   81.974   13.626   26.953   1.8382   24.482   2.0923 2.471619 2.785049 
1 1 1    6    1   56 o   19.379   2.0524   51.540   10.520   44.546   14.621   59.048   15.148   17.728   3.1878   20.578   2.8145 -2.849869 4.252518 
1 1 1    6    1   57 o   16.651   1.7548   37.959   7.7299   34.291   10.888   41.686   10.976   15.614   2.6935   17.318   2.4264 -1.703739 3.625215 
1 1 1    6    1   58 o   22.594   1.4003   69.229   8.4557   72.565   12.028   65.970   11.889   23.028   1.9635   21.932   2.0417 1.095844 2.832638 
1 1 1    6    1   59 o   62.183   0.9312  520.905   15.553  525.648   23.067  516.951   21.061   62.351   1.3774   61.866   1.2674 0.4859734 1.871772 
1 1 1    6    1   60 o   22.228   1.3740   67.140   8.1630   75.931   11.581   58.460   11.508   23.537   1.8467   20.566   2.1134 2.971403 2.806554 
1 1 1    6    1   61 o   25.925   1.3215   91.298   9.1710   96.089   12.199   85.071   13.908   26.494   1.7237   24.804   2.1075 1.689892 2.722617 
1 1 1    6    1   62 o   22.757   1.6092   70.974   9.7722   69.697   15.183   71.876   12.768   22.201   2.5952   22.739   2.1149 -0.5375824 3.347840 
1 1 1    6    1   63 o   12.532   2.5929   22.821   8.4401   24.972   11.963   20.690   11.909   12.881   3.4059   11.772   3.5053 1.109302 4.887443 
1 1 1    6    2  -63 o   42.352   1.3897  244.306   15.808  236.087   20.555  256.204   24.732   41.411   1.8480   42.958   2.1435 -1.546726 2.830142 
1 1 1    6    2  -62 o   10.034   2.7698   14.622   7.7094   12.442   10.944   16.769   10.862   9.6869   3.3995   10.772   3.3755 -1.085219 4.790692 
1 1 1    6    2  -61 o   14.972   1.9588   31.204   7.6881   26.805   10.852   35.637   10.893   13.548   3.0551   15.803   2.6609 -2.254432 4.051441 
1 1 1    6    2  -60 o   10.347   3.0010   15.302   8.8273   17.785   12.793   13.045   12.195   11.282   3.6772   10.113   3.5848 1.168670 5.135415 
1 1 1    6    2  -59 o   7.4164   2.7766   5.8367   7.4614   2.6926   10.890   8.6182   10.243   7.7317   3.2037   8.7838   3.2602 -1.052152 4.570879 
1 1 1    6    2  -58 o   21.702   1.4517   63.953   8.4131   67.190   12.979   61.608   11.048   22.090   2.2175   21.202   1.9624 0.8883533 2.961151 
1 1 1    6    2  -57 f   57.994   0.8826  452.678   13.748  448.638   19.524  456.651   19.361   57.669   1.2605   58.186   1.2389 -0.5172272 1.767356 
1 1 1    6    2  -56 o   20.210   1.4172   55.410   7.6439   49.399   10.697   61.684   10.927   18.948   2.1392   21.241   1.9367 -2.292463 2.885674 
1 1 1    6    2  -55 o   15.194   1.7709   31.669   7.0915   32.796   10.129   30.586   9.9318   15.302   2.5546   14.755   2.6012 0.5471849 3.645857 
1 1 1    6    2  -54 o   67.316   0.8678  609.715   15.691  605.119   22.181  614.320   22.200   66.996   1.2326   67.506   1.2244 -0.5091324 1.737376 
1 1 1    6    2  -53 o   25.496   1.2381   87.621   8.4782   89.685   12.219   85.704   11.773   25.683   1.7824   25.108   1.7568 0.5747757 2.502661 
1 1 1    6    2  -52 f   23.226   1.1420   72.655   7.1240   71.654   10.070   73.659   10.080   22.972   1.6429   23.296   1.6211 -0.3240700 2.308012 
1 1 1    6    2  -51 o   66.115   0.9057  587.989   16.084  594.379   22.943  581.815   22.554   66.418   1.2861   65.713   1.2778 0.7043228 1.812991 
1 1 1    6    2  -50 o   70.753   1.2531  674.185   23.813  663.911   33.435  684.763   33.924   70.112   1.7755   71.204   1.7738 -1.092880 2.509745 
1 1 1    6    2  -49 o   74.726   0.8502  750.805   17.063  757.396   24.251  744.341   24.013   75.008   1.2037   74.359   1.2023 0.6490631 1.701346 
1 1 1    6    2  -48 o   44.284   0.9085  263.695   10.806  269.449   15.347  258.038   15.217   44.736   1.2773   43.777   1.2942 0.9589577 1.818309 
1 1 1    6    2  -47 o   30.404   0.9170  124.291   7.4885  125.910   10.576  122.663   10.605   30.583   1.2874   30.185   1.3081 0.3980465 1.835395 
1 1 1    6    2  -46 o   17.283   1.2953   40.429   5.9692   46.272   8.6052   35.010   8.2873   18.442   1.7586   15.986   1.9719 2.455794 2.642194 
1 1 1    6    2  -45 o   47.986   0.7764  309.456   10.006  302.035   14.062  317.068   14.241   47.390   1.1048   48.556   1.0920 -1.165817 1.553386 
1 1 1    6    2  -44 o   48.547   0.7696  316.704   10.036  323.668   14.269  309.888   14.117   49.063   1.0828   48.007   1.0948 1.056427 1.539850 
1 1 1    6    2  -43 o   54.441   0.8273  398.267   12.097  409.127   17.105  387.400   17.111   55.163   1.1545   53.676   1.1868 1.486542 1.655730 
1 1 1    6    2  -42 o   46.637   0.8744  292.265   10.954  291.657   16.611  292.732   14.570   46.571   1.3280   46.664   1.1625 -0.9300232E-01 1.764917 
1 1 1    6    2  -41 o   76.132   0.8887  778.800   18.172  784.902   25.832  772.821   25.568   76.409   1.2587   75.819   1.2555 0.5901184 1.777844 
1 1 1    6    2  -40 o   80.677   0.8779  874.511   19.024  890.124   25.840  856.032   28.111   81.379   1.1822   79.797   1.3116 1.581360 1.765753 
1 1 1    6    2  -39 o   69.191   0.8733  643.189   16.230  673.516   23.302  614.612   22.619   70.789   1.2256   67.621   1.2454 3.167183 1.747273 
1 1 1    6    2  -38 o   18.328   1.2050   45.342   5.8990   61.679   9.1170   33.577   7.7368   21.357   1.6010   15.687   1.8732 5.669787 2.464177 
1 1 1    6    2  -37 o   82.585   1.1169  916.428   24.774  920.043   37.584  913.650   32.944   82.718   1.6916   82.442   1.4878 0.2762222 2.252794 
1 1 1    6    2  -36 o  183.238   1.5567  4513.25   76.613  4392.98  111.832  4619.62  105.169  180.682   2.3044  185.313   2.1130 -4.631683 3.126482 
1 1 1    6    2  -35 o  100.760   0.9384  1363.84   25.395  1362.78   35.897  1364.91   35.931  100.707   1.3271  100.785   1.3273 -0.7842255E-01 1.876987 
1 1 1    6    2  -34 o   22.251   1.1625   66.698   6.9234   60.524   9.8286   72.778   9.7542   21.149   1.7459   23.218   1.5734 -2.069744 2.350275 
1 1 1    6    2  -33 o  167.495   1.3758  3769.25   61.893  3810.56   88.118  3729.02   86.954  168.374   1.9485  166.563   1.9437 1.810837 2.752164 
1 1 1    6    2  -32 o   30.916   0.9890  128.381   8.2122  135.807   12.735  123.094   10.745   31.793   1.4913   30.270   1.3216 1.523291 1.992615 
1 1 1    6    2  -31 o  208.256   1.8259  5827.79  102.132  5825.02  131.915  5831.95  161.370  208.167   2.3593  208.243   2.8851 -0.7516479E-01 3.726968 
1 1 1    6    2  -30 o   91.652   1.2378  1128.35   30.470  1172.75   43.858  1086.93   42.363   93.427   1.7478   89.943   1.7536 3.483711 2.475836 
1 1 1    6    2  -29 o  218.642   1.9064  6423.00  111.953  6645.76  180.761  6284.38  142.593  222.321   3.0271  216.236   2.4552 6.084656 3.897606 
1 1 1    6    2  -28 o  484.774   3.9039 31617.22  508.308 32513.45  767.994 30918.56  678.085  491.056   5.8228  479.033   5.2702 12.02225 7.853683 
1 1 1    6    2  -27 o  123.160   1.3881  2037.46   45.917  1993.54   69.130  2072.14   61.423  121.808   2.1130  124.193   1.8414 -2.385292 2.802761 
1 1 1    6    2  -26 o  174.928   1.4213  4110.26   66.779  4151.65   95.004  4069.84   93.886  175.788   2.0122  174.048   2.0084 1.740601 2.842934 
1 1 1    6    2  -25 o   29.626   0.8705  117.878   6.9266  114.577   10.983  120.058   8.9251   29.206   1.4001   29.898   1.1114 -0.6914845 1.787637 
1 1 1    6    2  -24 o   67.750   0.9111  616.477   16.580  582.952   22.802  654.087   24.151   65.880   1.2886   69.784   1.2885 -3.903870 1.822298 
1 1 1    6    2  -23 o  195.005   1.7118  5108.37   89.660  5083.96  115.477  5145.43  142.272  194.520   2.2102  195.668   2.7071 -1.148514 3.494796 
1 1 1    6    2  -22 o  480.674   4.0564 31071.02  523.700 31270.55  743.659 30874.71  737.626  481.885   5.7456  478.828   5.7354 3.057343 8.118336 
1 1 1    6    2  -21 o   74.047   0.8880  736.381   17.661  738.075   26.567  735.040   23.640   74.130   1.3343   73.978   1.1898 0.1515579 1.787738 
1 1 1    6    2  -20 o  169.193   1.5072  3844.93   68.494  3785.35   95.937  3906.88   97.820  167.865   2.1278  170.539   2.1356 -2.673248 3.014672 
1 1 1    6    2  -19 o  117.573   1.0175  1856.53   32.131  1888.48   45.825  1825.63   45.063  118.577   1.4388  116.588   1.4391 1.989998 2.034974 
1 1 1    6    2  -18 o  120.688   1.2686  1956.23   41.123  1961.19   58.090  1951.24   58.224  120.837   1.7898  120.530   1.7985 0.3067017 2.537344 
1 1 1    6    2  -17 o  402.469   2.9851 21760.12  322.687 22381.07  447.725 21088.92  465.491  408.116   4.0845  396.143   4.3749 11.97314 5.985201 
1 1 1    6    2  -16 o  224.454   1.9434  6766.54  117.163  6697.10  150.289  6874.13  187.071  223.292   2.5059  226.213   3.0789 -2.921326 3.969793 
1 1 1    6    2  -15 o  118.680   1.7657  1891.69   56.285  1838.28   63.883  2077.00  118.991  116.991   2.0330  124.342   3.5629 -7.350777 4.102149 
1 1 1    6    2  -14 o  203.829   1.8729  5579.96  102.534  5638.33  126.361  5467.44  175.439  204.888   2.2962  201.747   3.2376 3.141327 3.969216 
1 1 1    6    2  -13 o  195.238   2.2042  5119.65  115.587  4996.67  161.123  5250.05  165.910  192.869   3.1103  197.698   3.1245 -4.829544 4.408671 
1 1 1    6    2  -12 o  624.371   5.2464 52385.13  879.819 52538.30  1393.39 52283.57  1134.61  625.002   8.3004  623.641   6.7736 1.360779 10.71348 
1 1 1    6    2  -11 o  415.681   3.2045 23210.21  357.777 23092.51  504.251 23329.54  507.714  414.580   4.5284  416.702   4.5363 -2.121918 6.409729 
1 1 1    6    2  -10 o  408.921   3.2948 22461.76  361.879 22134.12  531.616 22744.67  494.001  405.870   4.8766  411.447   4.4701 -5.576813 6.615417 
1 1 1    6    2   -9 o  548.328   4.6122 40397.27  679.265 39950.88  1066.20 40702.22  881.257  545.094   7.2824  550.305   5.9622 -5.210632 9.411792 
1 1 1    6    2   -8 o  555.798   4.6755 41506.91  697.971 41376.41  1100.85 41594.63  902.574  554.710   7.3888  556.289   6.0407 -1.579407 9.543808 
1 1 1    6    2   -7 o  189.966   1.6626  4846.65   84.832  4839.90  134.089  4851.16  109.541  189.823   2.6300  190.049   2.1460 -0.2261810 3.394383 
1 1 1    6    2   -6 o   93.387   1.0339  1171.24   25.932  1167.33   36.818  1175.10   36.530   93.229   1.4703   93.539   1.4540 -0.3099518 2.067860 
1 1 1    6    2   -5 o  614.897   6.1786 50832.23  1020.44 49619.11  1534.09 51794.94  1366.62  607.081   9.4083  620.436   8.2008 -13.35510 12.48078 
1 1 1    6    2   -4 o  471.216   3.9716 29833.47  502.659 29893.58  796.444 29793.68  648.025  471.525   6.2887  470.828   5.1243 0.6962280 8.112097 
1 1 1    6    2   -3 o  627.716   5.5606 52966.30  937.517 52090.09  1607.17 53418.25  1154.25  621.916   9.6214  630.239   6.8187 -8.322083 11.79261 
1 1 1    6    2   -2 o  100.699   0.9721  1361.83   26.293  1359.70   41.501  1363.26   33.983  100.618   1.5356  100.751   1.2558 -0.1329727 1.983744 
1 1 1    6    2   -1 f  297.412   2.3122 11881.00  184.704 11974.89  262.623 11789.09  259.823  298.559   3.2750  296.234   3.2655 2.324951 4.624842 
1 1 1    6    2    0 o  294.593   2.2905 11656.84  181.234 11744.14  257.520 11571.17  255.106  295.669   3.2427  293.483   3.2363 2.185303 4.581359 
1 1 1    6    2    1 f   25.408   0.7263   86.701   4.9568   93.375   6.6639   78.435   7.4161   26.368   0.9409   24.167   1.1425 2.201427 1.480115 
1 1 1    6    2    2 o   83.200   1.0153  929.659   22.688  995.875   43.766  905.324   26.532   86.109   1.8923   82.103   1.2031 4.005280 2.242417 
1 1 1    6    2    3 o  137.672   1.1906  2545.50   44.025  2475.57   58.669  2635.64   66.606  135.766   1.6089  140.085   1.7702 -4.319290 2.392128 
1 1 1    6    2    4 o  582.417   4.4691 45581.34  699.111 45091.29  981.624 46085.77  995.916  579.109   6.3109  585.457   6.3334 -6.348755 8.940891 
1 1 1    6    2    5 o  235.206   1.8487  7430.24  116.788  7338.35  163.809  7525.23  166.551  233.736   2.6093  236.694   2.6198 -2.957275 3.697525 
1 1 1    6    2    6 o  257.979   2.3300  8939.07  161.449  8998.29  217.619  8866.58  240.780  258.817   3.1305  256.908   3.4894 1.909210 4.687847 
1 1 1    6    2    7 o  338.712   3.2120 15411.20  292.212 15227.17  410.019 15601.13  416.559  336.640   4.5347  340.748   4.5515 -4.108002 6.424876 
1 1 1    6    2    8 o  200.190   1.7440  5382.43   93.773  5423.00  149.059  5355.86  120.635  200.932   2.7620  199.691   2.2492 1.241653 3.561915 
1 1 1    6    2    9 o  300.633   2.5614 12139.48  206.830 12457.65  332.646 11938.95  264.085  304.513   4.0671  298.125   3.2980 6.387817 5.236234 
1 1 1    6    2   10 o  310.482   2.4117 12947.64  201.115 12986.21  284.957 12909.35  283.885  310.924   3.4122  310.003   3.4095 0.9214478 4.823623 
1 1 1    6    2   11 o  181.506   1.5223  4424.53   74.216  4518.20  101.808  4318.31  108.416  183.414   2.0666  179.309   2.2511 4.104675 3.055893 
1 1 1    6    2   12 o  229.748   2.0909  7089.38  129.027  6873.18  189.709  7275.48  176.003  226.205   3.1224  232.735   2.8156 -6.530563 4.204410 
1 1 1    6    2   13 o   94.431   1.0493  1197.56   26.614  1210.72   37.800  1184.63   37.476   94.947   1.4823   93.918   1.4856 1.028793 2.098623 
1 1 1    6    2   14 o  164.441   1.5433  3631.66   68.163  3718.79   92.846  3529.80  100.388  166.398   2.0774  162.113   2.3055 4.285233 3.103422 
1 1 1    6    2   15 o  673.141   5.6540 60901.89  1022.25 61381.90  1453.03 60431.49  1438.43  675.509   8.0085  670.262   7.9901 5.247498 11.31273 
1 1 1    6    2   16 o  653.063   5.4876 57326.34  962.572 56803.93  1353.30 57861.28  1369.41  649.795   7.7540  655.812   7.7743 -6.016724 10.98017 
1 1 1    6    2   17 o  867.511   8.7125 101334.70  2030.07 99913.27  2378.98 105142.60  3893.80  860.959   10.288  880.685   16.461 -19.72614 19.41150 
1 1 1    6    2   18 o  273.625   2.4720 10057.37  181.676 10253.02  225.145  9692.23  307.586  276.255   3.0343  268.544   4.2644 7.711700 5.233761 
1 1 1    6    2   19 o  267.795   2.2973  9633.52  165.238  9722.35  214.735  9504.57  258.729  269.003   2.9720  265.943   3.6221 3.059204 4.685381 
1 1 1    6    2   20 o  157.758   1.5871  3342.83   67.249  3434.85   96.628  3256.39   93.651  159.902   2.2499  155.693   2.2395 4.209259 3.174466 
1 1 1    6    2   21 o  148.962   1.2343  2980.30   49.386  2998.35   70.075  2962.50   69.612  149.404   1.7463  148.508   1.7452 0.8958435 2.468823 
1 1 1    6    2   22 o   57.826   1.3880  449.135   21.558  395.900   35.781  479.470   27.010   54.282   2.4542   59.745   1.6832 -5.462906 2.975942 
1 1 1    6    2   23 o  177.449   2.8884  4232.23  137.663  4241.00  238.903  4227.87  168.438  177.484   5.0115  177.320   3.5366 0.1634979 6.133777 
1 1 1    6    2   24 o   71.092   0.7914  678.785   15.111  676.468   22.451  680.703   20.432   70.968   1.1778   71.191   1.0685 -0.2226410 1.590289 
1 1 1    6    2   25 o  315.933   2.4600 13412.41  208.750 13422.21  295.397 13402.63  295.038  315.956   3.4809  315.726   3.4792 0.2302856 4.921485 
1 1 1    6    2   26 o  195.410   1.8121  5129.78   95.110  5096.85  141.790  5156.72  128.241  194.741   2.7108  195.896   2.4373 -1.154282 3.645383 
1 1 1    6    2   27 o  168.925   1.3805  3833.03   62.637  3852.24   88.835  3814.03   88.331  169.331   1.9533  168.489   1.9519 0.8418274 2.761327 
1 1 1    6    2   28 o  206.324   1.8050  5719.09  100.027  5762.10  142.126  5676.87  140.802  207.058   2.5556  205.521   2.5507 1.536789 3.610696 
1 1 1    6    2   29 o  173.803   1.5513  4057.99   72.416  3949.14  112.620  4134.72   94.555  171.415   2.4461  175.419   2.0068 -4.004028 3.163993 
1 1 1    6    2   30 o   87.093   0.8533  1018.76   19.961  1048.82   28.538  989.966   27.930   88.364   1.2024   85.848   1.2113 2.515350 1.706769 
1 1 1    6    2   31 o  248.794   1.9628  8318.11  131.165  8330.06  171.870  8301.44  202.976  248.914   2.5707  248.431   3.0419 0.4836731 3.982712 
1 1 1    6    2   32 o   63.903   0.7254  548.468   12.450  540.759   16.864  557.704   18.459   63.450   0.9896   64.435   1.0666 -0.9854584 1.454927 
1 1 1    6    2   33 o   38.745   0.9060  201.634   9.4283  198.016   14.076  204.579   12.698   38.391   1.3651   39.024   1.2114 -0.6327209 1.825114 
1 1 1    6    2   34 o   63.061   0.8846  534.157   14.983  523.723   20.014  547.459   22.599   62.436   1.1935   63.833   1.3181 -1.396469 1.778163 
1 1 1    6    2   35 o  100.942   0.9808  1368.79   26.591  1352.39   35.794  1388.98   39.722  100.322   1.3284  101.664   1.4547 -1.342072 1.969936 
1 1 1    6    2   36 o   52.811   0.8171  374.648   11.590  378.927   16.541  370.521   16.246   53.105   1.1596   52.513   1.1518 0.5921021 1.634476 
1 1 1    6    2   37 o  108.207   0.9823  1573.10   28.548  1621.77   44.859  1539.98   37.009  109.836   1.5206  107.046   1.2872 2.790161 1.992273 
1 1 1    6    2   38 o   44.430   0.9918  265.236   11.835  250.971   16.145  281.807   17.401   43.209   1.3911   45.786   1.4150 -2.576744 1.984303 
1 1 1    6    2   39 o   99.394   0.9802  1327.43   26.168  1318.91   38.736  1334.58   35.491   99.043   1.4561   99.640   1.3262 -0.5966568 1.969531 
1 1 1    6    2   40 o   68.665   0.9574  633.532   17.657  617.119   24.772  650.480   25.173   67.750   1.3613   69.558   1.3474 -1.807938 1.915376 
1 1 1    6    2   41 o  112.837   1.1118  1711.28   33.696  1684.55   47.283  1738.87   48.033  111.905   1.5731  113.695   1.5729 -1.790077 2.224599 
1 1 1    6    2   42 o   53.253   0.7599  381.020   10.869  374.306   15.353  387.767   15.390   52.770   1.0832   53.711   1.0668 -0.9412460 1.520321 
1 1 1    6    2   43 o   36.942   0.9227  183.413   9.1556  169.929   12.730  197.860   13.177   35.544   1.3335   38.356   1.2791 -2.812435 1.847744 
1 1 1    6    2   44 o   47.055   0.8117  297.553   10.259  284.029   15.174  308.940   13.923   45.953   1.2294   47.934   1.0814 -1.981285 1.637346 
1 1 1    6    2   45 o   45.672   0.7728  280.324   9.4800  276.593   13.379  284.086   13.435   45.350   1.0984   45.961   1.0883 -0.6107712 1.546227 
1 1 1    6    2   46 o   12.766   1.7096   22.358   5.7148   25.123   8.0802   19.591   8.0837   13.442   2.3220   11.797   2.6195 1.644935 3.500520 
1 1 1    6    2   47 o   49.638   1.1417  331.523   15.222  335.641   21.334  327.253   21.726   49.901   1.5917   49.268   1.6418 0.6332512 2.286703 
1 1 1    6    2   48 o   43.343   0.8128  252.550   9.4620  250.449   13.328  254.685   13.435   43.141   1.1502   43.504   1.1498 -0.3633461 1.626372 
1 1 1    6    2   49 o   19.927   1.2282   53.661   6.5415   46.088   9.0296   62.025   9.4897   18.381   1.8543   21.378   1.6659 -2.996744 2.492702 
1 1 1    6    2   50 o   15.500   1.6208   32.765   6.6476   30.939   9.4596   34.546   9.3436   14.909   2.4472   15.810   2.2651 -0.9002924 3.334604 
1 1 1    6    2   51 o   59.024   0.8591  468.559   13.620  458.917   19.982  476.926   18.614   58.362   1.2747   59.512   1.1645 -1.150055 1.726545 
1 1 1    6    2   52 f   42.118   0.9668  238.728   10.937  237.235   15.006  240.420   15.974   41.947   1.3319   42.218   1.4087 -0.2708015 1.938624 
1 1 1    6    2   53 o   26.910   1.0840   97.524   7.8349   96.067   11.175   98.933   10.988   26.621   1.5698   27.024   1.5200 -0.4032726 2.185104 
1 1 1    6    2   54 o   18.346   1.5639   45.804   7.6323   52.274   10.099   37.185   11.655   19.541   1.9502   16.269   2.7663 3.271482 3.384616 
1 1 1    6    2   55 o   23.692   1.3264   75.961   8.4062   80.599   11.070   69.643   12.920   24.348   1.7035   22.536   2.1610 1.812222 2.751661 
1 1 1    6    2   56 o   22.826   1.3154   70.525   8.0303   61.379   11.648   78.808   11.086   21.160   2.0763   24.069   1.7263 -2.909185 2.700213 
1 1 1    6    2   57 f   50.458   1.0216  342.938   13.845  356.504   19.561  329.319   19.600   51.377   1.4175   49.367   1.4782 2.009926 2.048035 
1 1 1    6    2   58 o   42.436   0.9740  242.569   11.101  226.482   15.916  257.811   15.492   40.930   1.4478   43.694   1.3201 -2.763645 1.959240 
1 1 1    6    2   59 o   66.585   0.9299  597.332   16.630  608.169   22.833  585.089   24.270   67.094   1.2670   65.775   1.3738 1.319740 1.868879 
1 1 1    6    2   60 o   25.082   1.2785   85.318   8.5843   93.274   12.504   78.225   11.806   26.108   1.7940   23.883   1.8550 2.224995 2.580631 
1 1 1    6    2   61 o   39.027   0.9540  205.532  10.0000  209.044   14.259  202.134   14.028   39.263   1.3521   38.609   1.3528 0.6545448 1.912634 
1 1 1    6    2   62 o   15.082   2.3657   32.292   9.2679   45.757   12.376   15.096   13.985   17.900   2.6546   10.677   3.8330 7.222315 4.662530 
1 1 1    6    2   63 o   11.021   3.0770   17.994   9.4569   18.980   14.202   17.208   12.676   11.441   3.8783   10.932   3.6641 0.5090628 5.335451 
1 1 1    6    3  -63 o   31.981   1.2054  138.885   10.354  150.778   15.636  129.597   13.818   33.070   1.7667   30.690   1.6827 2.379848 2.439866 
1 1 1    6    3  -62 o   13.774   2.3461   27.049   8.3684   13.812   11.577   41.535   12.111   10.080   3.4987   16.987   2.7483 -6.906547 4.449034 
1 1 1    6    3  -61 o   24.382   1.2545   80.740   8.1873   79.088   11.316   82.555   11.861   23.998   1.7680   24.506   1.8148 -0.5086308 2.533670 
1 1 1    6    3  -60 o   37.487   1.0639  189.724   10.712  201.623   14.394  174.954   16.037   38.573   1.3893   35.861   1.6650 2.711578 2.168470 
1 1 1    6    3  -59 o   30.642   1.1172  126.711   9.1945  127.272   12.746  126.102   13.276   30.602   1.5558   30.443   1.6296 0.1588039 2.253044 
1 1 1    6    3  -58 o   40.115   0.9949  216.817   10.719  229.380   15.594  205.562   14.760   41.193   1.4094   38.996   1.4092 2.197308 1.993054 
1 1 1    6    3  -57 o   17.760   1.5538   42.978   7.3376   40.616   10.617   45.138   10.152   17.095   2.3767   18.094   2.1298 -0.9991589 3.191337 
1 1 1    6    3  -56 o   15.355   2.0703   32.588   8.3206   52.184   11.997   14.422   11.550   19.433   2.3458   10.454   3.4977 8.979847 4.211533 
1 1 1    6    3  -55 o   60.078   0.8659  485.690   13.973  485.269   19.852  486.104   19.672   59.992   1.2320   60.046   1.2198 -0.5392075E-01 1.733695 
1 1 1    6    3  -54 o   26.881   1.1474   97.373   8.2843   94.784   11.792   99.897   11.641   26.420   1.6704   27.137   1.6042 -0.7172680 2.315973 
1 1 1    6    3  -53 o   42.718   0.9317  245.598   10.690  248.505   15.115  242.688   15.121   42.925   1.3110   42.417   1.3273 0.5076065 1.865554 
1 1 1    6    3  -52 f   62.902   0.8367  532.214   14.136  527.213   19.980  537.226   20.003   62.554   1.1892   63.147   1.1794 -0.5929184 1.674828 
1 1 1    6    3  -51 o   31.259   1.0195  131.505   8.5599  128.773   13.143  133.518   11.281   30.844   1.5919   31.473   1.3344 -0.6287899 2.077197 
1 1 1    6    3  -50 o   36.744   1.1798  181.791   11.644  177.120   15.060  188.732   18.360   36.235   1.5474   37.371   1.8291 -1.135872 2.395872 
1 1 1    6    3  -49 o   49.991   0.9622  336.144   12.920  338.696   19.020  333.958   17.605   50.134   1.4125   49.793   1.3163 0.3407021 1.930786 
1 1 1    6    3  -48 o   80.213   0.8678  865.117   18.697  869.074   26.411  861.142   26.472   80.349   1.2238   79.981   1.2323 0.3688431 1.736717 
1 1 1    6    3  -47 o   40.540   0.9269  220.992   10.092  220.946   14.309  221.037   14.236   40.509   1.3151   40.518   1.3081 -0.8914948E-02 1.854940 
1 1 1    6    3  -46 o   99.379   0.9539  1327.99   25.463  1318.89   35.824  1337.28   36.198   98.977   1.3476   99.663   1.3523 -0.6866608 1.909068 
1 1 1    6    3  -45 f   9.8856   2.0809   13.688   5.3503   10.097   7.5424   17.326   7.5909   8.7509   2.8211   11.093   2.5941 -2.341664 3.832529 
1 1 1    6    3  -44 o   80.279   0.8524  866.184   18.381  865.962   25.925  866.409   26.063   80.238   1.2030   80.258   1.2091 -0.2005005E-01 1.705572 
1 1 1    6    3  -43 o   32.386   0.8762  140.961   7.6219  130.705   10.601  151.934   10.966   31.174   1.2661   33.612   1.2146 -2.438372 1.754545 
1 1 1    6    3  -42 o  101.702   1.0484  1390.29   28.639  1407.42   40.730  1373.53   40.276  102.282   1.4826  101.043   1.4841 1.239304 2.097756 
1 1 1    6    3  -41 o   69.375   0.8350  646.672   15.559  621.767   20.644  679.426   23.675   68.012   1.1301   71.089   1.2399 -3.077103 1.677624 
1 1 1    6    3  -40 o   73.874   0.9296  733.303   18.446  731.078   24.721  736.097   27.706   73.746   1.2480   73.990   1.3941 -0.2437134 1.871159 
1 1 1    6    3  -39 o   94.236   0.9933  1193.28   25.141  1231.77   36.433  1158.28   34.736   95.716   1.4171   92.819   1.3933 2.897430 1.987378 
1 1 1    6    3  -38 o   44.230   1.0730  262.884   12.747  262.539   19.937  263.123   16.578   44.182   1.6801   44.241   1.3952 -0.5922318E-01 2.183830 
1 1 1    6    3  -37 o   30.205   0.9610  122.577   7.7964  119.570   9.7176  128.010   13.061   29.829   1.2129   30.815   1.5834 -0.9868355 1.994540 
1 1 1    6    3  -36 o  110.135   1.0941  1629.76   32.364  1660.91   46.292  1599.96   45.266  111.156   1.5505  109.098   1.5448 2.058258 2.188710 
1 1 1    6    3  -35 o   43.445   0.9852  253.561   11.497  274.572   17.806  238.540   15.055   45.200   1.4667   42.133   1.3304 3.067280 1.980184 
1 1 1    6    3  -34 f   47.455   0.7328  302.472   9.3396  299.870   13.212  305.072   13.205   47.246   1.0411   47.654   1.0316 -0.4081841 1.465689 
1 1 1    6    3  -33 o   49.625   0.9448  330.790   12.593  312.373   19.504  343.959   16.492   48.215   1.5061   50.599   1.2135 -2.383972 1.934127 
1 1 1    6    3  -32 o  104.710   0.9563  1472.72   26.894  1491.17   38.264  1454.72   37.808  105.353   1.3522  104.058   1.3527 1.295303 1.912709 
1 1 1    6    3  -31 o   76.287   0.8406  781.665   17.223  785.740   25.500  778.247   23.355   76.480   1.2414   76.116   1.1424 0.3639069 1.687028 
1 1 1    6    3  -30 o  103.763   1.0982  1446.20   30.606  1458.33   41.297  1431.41   45.587  104.189   1.4757  103.219   1.6444 0.9702454 2.209456 
1 1 1    6    3  -29 o  201.885   1.7740  5475.95   96.195  5594.02  154.180  5400.69  123.092  203.981   2.8141  200.463   2.2861 3.517960 3.625712 
1 1 1    6    3  -28 o  259.563   2.3573  9054.19  164.340  9041.44  284.321  9060.59  201.389  259.200   4.0840  259.610   2.8882 -0.4093933 5.002021 
1 1 1    6    3  -27 f   57.910   0.8967  450.404   13.947  463.196   23.424  443.378   17.359   58.721   1.4851   57.455   1.1249 1.266838 1.863071 
1 1 1    6    3  -26 o  146.879   1.2242  2897.68   48.295  2884.25   68.086  2911.27   68.514  146.527   1.7300  147.211   1.7328 -0.6846619 2.448565 
1 1 1    6    3  -25 o  191.458   1.6862  4924.14   86.709  4901.12  136.475  4939.73  112.283  190.969   2.6607  191.742   2.1802 -0.7731171 3.439900 
1 1 1    6    3  -24 o  287.274   2.3443 11088.75  180.888 11049.95  267.729 11121.33  245.361  286.681   3.4770  287.632   3.1760 -0.9519043 4.709168 
1 1 1    6    3  -23 o  186.651   1.5038  4679.64   75.392  4699.90  106.893  4659.59  106.350  187.035   2.1278  186.231   2.1262 0.8036041 3.008010 
1 1 1    6    3  -22 o   65.967   1.4606  584.523   25.879  604.251   32.391  549.700   43.034   67.067   1.7981   63.959   2.5051 3.108425 3.083609 
1 1 1    6    3  -21 o  317.426   2.7055 13539.45  230.668 13561.80  297.981 13506.04  364.370  317.626   3.4929  316.895   4.2809 0.7312012 5.525054 
1 1 1    6    3  -20 o   22.862   0.9682   70.197   5.9452   64.079   8.2834   76.697   8.5381   21.796   1.4228   23.859   1.3377 -2.063116 1.952910 
1 1 1    6    3  -19 o  219.130   1.6681  6449.62   98.180  6312.35  131.988  6619.67  146.901  216.770   2.2669  221.978   2.4639 -5.208038 3.348114 
1 1 1    6    3  -18 o  280.460   2.1904 10565.90  165.005 10490.92  232.230 10642.34  234.491  279.431   3.0942  281.440   3.1020 -2.009094 4.381430 
1 1 1    6    3  -17 o  182.461   1.5338  4471.40   75.167  4472.99  111.472  4470.08  101.791  182.483   2.2743  182.427   2.0774 0.5599976E-01 3.080309 
1 1 1    6    3  -16 o  395.427   3.0539 21005.37  324.348 21016.57  458.893 20994.18  458.503  395.470   4.3202  395.259   4.3188 0.2106323 6.108741 
1 1 1    6    3  -15 o  184.054   1.4789  4549.67   73.111  4510.52  102.812  4589.72  103.987  183.255   2.0888  184.857   2.0944 -1.601776 2.957948 
1 1 1    6    3  -14 o  406.908   3.1394 22241.56  343.111 22100.31  483.264 22385.14  487.226  405.563   4.4364  408.168   4.4443 -2.604767 6.279602 
1 1 1    6    3  -13 o  540.776   4.7965 39294.84  696.683 39281.30  852.931 39321.98  1207.62  540.609   5.8741  540.666   8.3159 -0.5688477E-01 10.18128 
1 1 1    6    3  -12 o  176.087   2.8360  4164.79  134.129  3982.00  226.492  4263.52  166.457  172.148   4.8985  178.153   3.4787 -6.005447 6.008012 
1 1 1    6    3  -11 o  356.391   3.1836 17061.34  304.746 17059.64  456.916 17062.71  409.006  356.324   4.7742  356.374   4.2730 -0.4977417E-01 6.407133 
1 1 1    6    3  -10 f   42.057   0.7779  237.549   8.7872  254.845   16.417  230.604   10.403   43.561   1.4031   41.438   0.9347 2.123039 1.685936 
1 1 1    6    3   -9 o  274.288   2.1407 10104.61  157.710 10154.07  223.710 10055.75  222.367  274.945   3.0293  273.610   3.0258 1.334320 4.281659 
1 1 1    6    3   -8 o  326.967   2.5354 14359.25  222.661 14491.84  316.743 14229.73  313.071  328.449   3.5904  325.465   3.5813 2.983551 5.071219 
1 1 1    6    3   -7 o  318.094   2.4688 13590.46  210.930 13525.16  297.126 13656.81  299.487  317.307   3.4863  318.847   3.4971 -1.540314 4.938017 
1 1 1    6    3   -6 o  173.443   1.3967  4040.13   65.066  3986.01   91.285  4096.01   92.767  172.273   1.9728  174.634   1.9778 -2.360779 2.793493 
1 1 1    6    3   -5 o  433.352   3.3390 25226.98  388.641 24398.23  537.417 26135.55  562.698  426.116   4.6956  441.023   4.7503 -14.90750 6.679384 
1 1 1    6    3   -4 o  202.820   1.7634  5524.85   96.063  5638.37  125.629  5365.04  149.065  204.888   2.2829  199.853   2.7770 5.034378 3.594871 
1 1 1    6    3   -3 f  335.355   2.7132 15106.29  244.386 14907.51  328.021 15354.28  366.380  333.114   3.6662  338.056   4.0351 -4.941864 5.451870 
1 1 1    6    3   -2 o  347.557   2.6889 16225.60  251.009 16452.45  358.224 16006.78  351.825  349.943   3.8112  345.172   3.7949 4.771667 5.378346 
1 1 1    6    3   -1 o  435.697   3.6758 25503.34  430.156 24591.02  664.176 26162.51  564.557  427.714   5.7815  441.235   4.7637 -13.52155 7.491219 
1 1 1    6    3    0 o  256.565   2.1987  8841.28  151.514  8876.30  240.188  8818.13  195.266  257.046   3.4790  256.217   2.8374 0.8287964 4.489340 
1 1 1    6    3    1 o  169.129   1.4947  3841.70   67.898  3849.29  107.460  3836.66   87.601  169.288   2.3634  169.014   1.9297 0.2734375 3.051099 
1 1 1    6    3    2 o  591.264   4.9690 46980.62  789.121 46220.11  1234.25 47506.43  1026.28  586.163   7.8396  594.428   6.4280 -8.264709 10.13796 
1 1 1    6    3    3 f  561.913   4.7249 42428.81  713.099 44225.78  1158.81 41333.57  904.679  573.424   7.5239  554.504   6.0743 18.91992 9.669866 
1 1 1    6    3    4 o  416.216   3.5139 23272.43  392.823 23661.60  627.627 23021.79  503.674  419.579   5.5692  413.925   4.5304 5.654388 7.179200 
1 1 1    6    3    5 o  343.022   3.0658 15805.48  282.461 16034.13  382.592 15531.54  418.776  345.461   4.1233  339.986   4.5859 5.474518 6.167050 
1 1 1    6    3    6 o  218.036   1.9882  6384.98  116.431  6356.71  155.836  6420.70  175.173  217.544   2.6670  218.632   2.9831 -1.087494 4.001451 
1 1 1    6    3    7 o  374.621   2.8934 18850.79  291.138 18802.71  411.078 18899.17  412.388  374.107   4.0911  375.065   4.0936 -0.9583740 5.787452 
1 1 1    6    3    8 o  270.759   2.1150  9846.26  153.812  9513.81  212.691 10210.74  222.702  266.135   2.9755  275.711   3.0073 -9.575043 4.230517 
1 1 1    6    3    9 o  657.333   5.0388 58059.89  889.617 57751.86  1253.78 58372.22  1262.49  655.405   7.1223  658.914   7.1336 -3.509460 10.08039 
1 1 1    6    3   10 f  524.384   4.0285 36941.57  567.394 37669.43  812.519 36248.82  792.682  529.430   5.7139  519.353   5.6826 10.07697 8.058554 
1 1 1    6    3   11 o  227.008   1.9611  6921.21  119.571  6906.87  188.675  6930.83  154.575  226.758   3.0978  227.160   2.5335 -0.4009857 4.001893 
1 1 1    6    3   12 o  306.571   2.6114 12623.85  215.031 12638.93  339.789 12613.78  277.716  306.719   4.1246  306.433   3.3742 0.2857666 5.328909 
1 1 1    6    3   13 o  189.878   1.5876  4842.11   80.966  4827.36  119.843  4854.50  109.819  189.581   2.3536  190.115   2.1506 -0.5341949 3.188182 
1 1 1    6    3   14 o  512.449   3.9404 35280.70  542.352 35087.23  763.558 35477.69  770.491  510.941   5.5639  513.774   5.5835 -2.833618 7.882383 
1 1 1    6    3   15 o  393.285   3.9792 20781.43  420.336 21288.90  565.016 20152.49  629.011  397.989   5.2856  387.173   6.0487 10.81625 8.032726 
1 1 1    6    3   16 o  282.510   2.8888 10721.43  219.201 10862.29  261.450 10388.15  402.170  284.344   3.4234  277.988   5.3863 6.355865 6.382146 
1 1 1    6    3   17 o  430.299   3.6350 24879.18  420.113 24543.90  537.419 25405.99  673.662  427.314   4.6825  434.653   5.7704 -7.339264 7.431231 
1 1 1    6    3   18 o  228.427   1.8863  7008.60  115.729  6947.72  170.849  7060.22  157.318  227.409   2.7971  229.250   2.5549 -1.840958 3.788350 
1 1 1    6    3   19 o   75.728   0.9945  770.203   20.229  759.636   30.505  778.496   27.025   75.204   1.5102   76.133   1.3216 -0.9290390 2.006831 
1 1 1    6    3   20 o  171.663   1.4565  3958.03   67.153  3968.65   99.690  3949.21   90.861  171.878   2.1594  171.461   1.9730 0.4167938 2.925013 
1 1 1    6    3   21 o  284.840   2.2250 10900.25  170.226 10833.17  239.780 10968.41  241.704  283.906   3.1445  285.672   3.1501 -1.766205 4.450917 
1 1 1    6    3   22 o  360.298   3.0588 17449.40  296.009 17366.74  417.239 17533.17  420.016  359.281   4.3237  360.997   4.3318 -1.716187 6.120396 
1 1 1    6    3   23 o  353.023   2.8594 16749.37  271.123 16676.85  401.115 16810.37  367.889  352.098   4.2414  353.553   3.8741 -1.455627 5.744421 
1 1 1    6    3   24 o  433.330   4.0996 25257.88  477.152 26424.58  694.922 24217.20  656.320  442.858   5.8422  423.976   5.7634 18.88196 8.206647 
1 1 1    6    3   25 o  116.098   1.0631  1810.32   33.149  1787.51   48.829  1829.83   45.147  115.356   1.5760  116.716   1.4402 -1.359955 2.134884 
1 1 1    6    3   26 o  149.819   1.2456  3014.84   50.122  3063.18   71.520  2968.19   70.262  151.002   1.7634  148.643   1.7599 2.359604 2.491342 
1 1 1    6    3   27 f   20.390   1.0635   55.993   5.8041   69.179   8.9010   46.239   7.6556   22.646   1.4714   18.487   1.5562 4.158396 2.141656 
1 1 1    6    3   28 o  120.025   1.6329  1935.32   52.643  1921.91   82.699  1944.46   68.258  119.579   2.5749  120.295   2.1126 -0.7157974 3.330605 
1 1 1    6    3   29 o  128.854   1.2101  2230.23   41.882  2247.05   59.379  2213.58   59.082  129.326   1.7094  128.359   1.7137 0.9667664 2.420538 
1 1 1    6    3   30 o   66.264   0.9089  589.751   16.176  583.307   20.393  600.687   26.565   65.898   1.1522   66.868   1.4791 -0.9699783 1.874887 
1 1 1    6    3   31 o  120.345   1.0978  1945.42   35.486  1973.79   48.232  1911.94   52.396  121.209   1.4815  119.289   1.6353 1.919289 2.206632 
1 1 1    6    3   32 o   47.468   0.7894  302.641   10.064  291.692   12.855  319.977   16.176   46.600   1.0271   48.804   1.2340 -2.204689 1.605488 
1 1 1    6    3   33 o  126.597   1.2033  2153.08   40.916  2175.33   53.049  2120.41   64.286  127.234   1.5523  125.599   1.9056 1.634956 2.457863 
1 1 1    6    3   34 f  129.960   1.2289  2269.21   42.895  2259.47   55.200  2284.05   68.155  129.663   1.5850  130.342   1.9468 -0.6791534 2.510434 
1 1 1    6    3   35 o   96.134   1.1290  1241.67   29.151  1229.18   36.536  1263.53   48.356   95.637   1.4224   96.940   1.8572 -1.303169 2.339270 
1 1 1    6    3   36 o   70.935   0.9213  675.974   17.554  694.689   23.654  653.034   26.189   71.901   1.2249   69.705   1.3988 2.195374 1.859286 
1 1 1    6    3   37 o   90.805   0.8851  1107.75   21.587  1117.13   30.653  1098.53   30.407   91.172   1.2518   90.410   1.2522 0.7624664 1.770539 
1 1 1    6    3   38 o   14.088   1.3728   26.932   5.1285   20.178   7.3482   33.347   7.1609   12.033   2.3579   15.650   1.7326 -3.616767 2.926001 
1 1 1    6    3   39 o   19.045   1.0842   48.903   5.5231   46.936   8.2743   50.484   7.4175   18.605   1.6737   19.324   1.4395 -0.7187347 2.207567 
1 1 1    6    3   40 o   86.350   0.9927  1001.97   23.023  1018.26   34.718  989.185   30.760   87.015   1.4855   85.776   1.3352 1.239677 1.997302 
1 1 1    6    3   41 o   23.314   1.0914   73.057   6.8345   63.690   9.5464   82.906   9.7892   21.694   1.6507   24.783   1.4773 -3.089329 2.215253 
1 1 1    6    3   42 o   15.923   1.5302   34.426   6.4636   38.862   8.8127   29.262   9.5087   16.870   1.9828   14.517   2.5307 2.352972 3.214975 
1 1 1    6    3   43 o   27.661   0.9040  102.830   6.7161  111.040   9.5184   94.691   9.4778   28.734   1.2333   26.498   1.3360 2.236315 1.818209 
1 1 1    6    3   44 o   41.642   0.7948  233.035   8.8899  233.909   12.668  232.188   12.478   41.705   1.1309   41.552   1.1181 0.1530418 1.590303 
1 1 1    6    3   45 f   61.136   0.7915  502.333   12.998  506.902   18.433  497.815   18.330   61.390   1.1179   60.837   1.1218 0.5530624 1.583720 
1 1 1    6    3   46 o   6.5774   2.4323   4.5639   5.6912   6.0403   7.9275   2.9937   8.1755   7.6677   2.8637   7.0062   2.8237 0.6615376 4.021684 
1 1 1    6    3   47 o   46.631   0.8841  292.356   11.073  285.388   15.598  299.434   15.720   46.044   1.2613   47.165   1.2409 -1.121265 1.769379 
1 1 1    6    3   48 o   39.247   0.9594  207.162   10.113  204.722   14.219  209.660   14.387   38.987   1.3579   39.454   1.3577 -0.4674454 1.920200 
1 1 1    6    3   49 o   30.058   0.9430  121.517   7.6129  120.703   10.909  122.290   10.629   29.933   1.3570   30.132   1.3133 -0.1991901 1.888389 
1 1 1    6    3   50 o   51.806   0.8514  360.914   11.847  360.651   17.155  361.154   16.379   51.748   1.2342   51.791   1.1775 -0.4269028E-01 1.705801 
1 1 1    6    3   51 o   38.428   0.9740  198.704   10.053  200.869   13.029  195.518   15.805   38.611   1.2563   38.062   1.5460 0.5496941 1.992094 
1 1 1    6    3   52 f   8.5234   2.5751   9.9837   6.3927   15.909   9.5041   5.0875   8.6391   10.662   3.1201   7.6061   2.9532 3.056292 4.296040 
1 1 1    6    3   53 o   46.639   0.9737  292.812   12.198  289.272   17.018  296.553   17.492   46.303   1.3684   46.879   1.3892 -0.5757446 1.949960 
1 1 1    6    3   54 o   39.184   0.9164  206.648   9.6451  214.877   13.623  198.377   13.657   39.917   1.2707   38.347   1.3260 1.570259 1.836535 
1 1 1    6    3   55 o   27.869   1.2946  104.765   9.6902  104.731   14.142  104.795   13.304   27.729   1.9105   27.760   1.7940 -0.3157425E-01 2.620750 
1 1 1    6    3   56 o   58.939   0.9592  467.687   15.184  459.805   21.904  474.980   21.068   58.359   1.3974   59.331   1.3221 -0.9716072 1.923714 
1 1 1    6    3   57 o   13.722   2.1389   26.210   7.6263   27.350   10.862   25.103   10.710   13.834   3.0090   13.236   3.0719 0.5983114 4.300026 
1 1 1    6    3   58 o   23.450   1.5172   74.718   9.5048   83.169   13.357   66.048   13.528   24.636   2.0369   21.861   2.3403 2.774710 3.102522 
1 1 1    6    3   59 o   33.007   1.0438  146.933   9.2539  157.621   12.993  135.932   13.182   34.125   1.4176   31.666   1.5499 2.458828 2.100443 
1 1 1    6    3   60 o   25.744   1.2336   89.639   8.5301   80.667   11.523  100.515   12.688   24.266   1.7804   27.109   1.7519 -2.842863 2.497751 
1 1 1    6    3   61 o   7.0717   3.0347   0.2693   10.339   4.1045   15.503  -2.8027   13.875   9.0668   3.7951   7.6910   3.4028 1.375811 5.097205 
1 1 1    6    3   62 o   14.802   2.2024   30.952   8.4897   33.523   11.878   28.267   12.139   15.119   3.0306   13.764   3.3215 1.354958 4.496302 
1 1 1    6    3   63 o   11.444   3.0481   19.500   9.5367   8.9563   12.762   32.833   14.351   9.1650   3.5807   14.634   3.6605 -5.468561 5.120638 
1 1 1    6    4  -63 o   10.669   3.2807   16.845   10.315   14.854   14.146   19.107   15.075   10.513   3.8433   11.470   3.9918 -0.9569349 5.541272 
1 1 1    6    4  -62 o   9.8421   2.9186   14.048   8.2687   18.162   11.287   9.2827   12.148   11.119   3.4339   9.1558   3.5163 1.963427 4.914855 
1 1 1    6    4  -61 o   12.274   2.7838   21.921   8.9660   10.462   12.979   32.380   12.400   9.6080   3.6477   14.834   3.2059 -5.225700 4.856289 
1 1 1    6    4  -60 o   7.4079   2.7407   6.1578   7.2276   2.1246   10.088   10.412   10.360   7.3390   3.0657   9.1730   3.2985 -1.833962 4.503181 
1 1 1    6    4  -59 o   9.2307   2.8926   11.793   7.9761   2.4749   10.862   22.698   11.750   7.6669   3.1901   12.493   3.4075 -4.826217 4.667725 
1 1 1    6    4  -58 o   66.029   0.9436  587.317   16.734  619.875   22.765  549.045   24.682   67.755   1.2509   63.709   1.4424 4.045292 1.909272 
1 1 1    6    4  -57 o   63.341   0.9286  540.219   15.798  530.230   22.281  550.318   22.404   62.668   1.3237   63.848   1.3064 -1.180485 1.859847 
1 1 1    6    4  -56 o   21.885   1.3065   64.856   7.6448   62.218   10.794   67.512   10.828   21.334   1.9038   22.245   1.8285 -0.9102573 2.639686 
1 1 1    6    4  -55 o   10.142   2.7655   14.553   7.7408   9.3893   11.283   19.144   10.639   9.2327   3.4227   11.611   3.2715 -2.378495 4.734732 
1 1 1    6    4  -54 o   59.130   0.9310  470.617   14.787  458.080   20.902  483.177   20.921   58.267   1.3356   59.848   1.3015 -1.581898 1.864842 
1 1 1    6    4  -53 o   21.303   1.3267   61.454   7.5537   75.561   10.727   47.579   10.639   23.573   1.7057   18.589   2.1717 4.983362 2.761509 
1 1 1    6    4  -52 o   14.228   1.7297   27.776   6.4741   26.162   9.2656   29.315   9.0497   13.624   2.6272   14.489   2.4102 -0.8642139 3.565258 
1 1 1    6    4  -51 o   23.135   1.3209   72.381   8.1737   87.904   11.752   57.835   11.376   25.444   1.7299   20.552   2.0899 4.892105 2.712952 
1 1 1    6    4  -50 o   21.542   1.4041   62.823   8.0799   64.992   11.266   60.527   11.594   21.834   1.9414   21.041   2.0787 0.7930279 2.844249 
1 1 1    6    4  -49 o   62.100   0.8413  518.553   14.032  528.292   19.266  507.550   20.478   62.647   1.1450   61.392   1.2419 1.254780 1.689180 
1 1 1    6    4  -48 o   48.345   0.8551  314.260   11.104  318.376   16.756  311.037   14.826   48.624   1.2830   48.074   1.1482 0.5508194 1.721798 
1 1 1    6    4  -47 o   34.958   0.8702  164.310   8.1709  156.490   11.462  172.392   11.652   34.095   1.2516   35.788   1.2122 -1.693005 1.742353 
1 1 1    6    4  -46 o   32.219   0.9301  139.577   8.0487  141.354   10.936  137.476   11.888   32.407   1.2565   31.951   1.3853 0.4554291 1.870223 
1 1 1    6    4  -45 o   57.856   0.7861  449.892   12.216  456.001   17.383  443.932   17.171   58.224   1.1115   57.448   1.1128 0.7757721 1.572848 
1 1 1    6    4  -44 o   39.389   0.8033  208.515   8.4987  211.594   11.885  205.293   12.158   39.665   1.1155   39.068   1.1586 0.5972290 1.608374 
1 1 1    6    4  -43 o   48.595   0.8661  317.370   11.304  319.010   16.707  315.984   15.352   48.699   1.2773   48.473   1.1792 0.2256813 1.738334 
1 1 1    6    4  -42 o   53.964   0.8012  391.305   11.612  397.370   15.897  384.364   17.004   54.368   1.0886   53.466   1.1841 0.9021301 1.608456 
1 1 1    6    4  -41 o   57.538   0.7518  444.790   11.618  458.087   16.911  432.904   15.988   58.379   1.0785   56.753   1.0489 1.626007 1.504423 
1 1 1    6    4  -40 o   36.539   0.9710  179.406   9.5289  176.369   13.455  182.461   13.497   36.216   1.3833   36.837   1.3641 -0.6207657 1.942714 
1 1 1    6    4  -39 o  129.460   1.2925  2253.02   44.944  2213.81   66.931  2285.22   60.653  128.247   1.9431  130.330   1.7327 -2.082291 2.603382 
1 1 1    6    4  -38 o   82.354   1.0431  911.358   23.074  925.626   37.694  902.808   29.180   82.956   1.6917   81.952   1.3257 1.004074 2.149278 
1 1 1    6    4  -37 o   72.468   0.7985  705.495   15.543  713.527   22.098  697.631   21.867   72.868   1.1291   72.052   1.1299 0.8162613 1.597349 
1 1 1    6    4  -36 o  135.614   1.1603  2471.29   42.264  2484.06   59.939  2458.67   59.604  135.924   1.6418  135.228   1.6410 0.6965790 2.321306 
1 1 1    6    4  -35 o  125.921   1.2004  2130.56   40.601  2205.10   58.469  2061.15   56.421  128.070   1.6998  123.820   1.6965 4.250534 2.401531 
1 1 1    6    4  -34 o  245.625   1.9424  8111.97  128.143  8198.31  182.452  8027.92  180.016  246.780   2.7526  244.204   2.7445 2.576263 3.887058 
1 1 1    6    4  -33 o  180.016   1.4651  4354.45   70.837  4395.04  100.723  4314.72   99.642  180.801   2.0741  179.142   2.0709 1.659332 2.930969 
1 1 1    6    4  -32 o   80.403   0.8245  868.318   17.806  855.818   25.008  881.172   25.360   79.816   1.1665   80.990   1.1658 -1.173683 1.649199 
1 1 1    6    4  -31 o  141.795   1.1965  2700.88   45.570  2709.66   64.502  2692.14   64.390  142.005   1.6911  141.545   1.6937 0.4597931 2.393420 
1 1 1    6    4  -30 o  314.190   2.6840 13273.42  226.501 13524.22  296.000 12919.09  351.829  317.012   3.4764  309.684   4.2298 7.327362 5.475062 
1 1 1    6    4  -29 o  267.147   2.2985  9592.02  164.926  9649.18  213.650  9507.71  259.443  267.871   2.9695  265.812   3.6339 2.058777 4.692904 
1 1 1    6    4  -28 o  150.425   1.4497  3039.66   58.572  3125.18  103.421  2999.27   71.067  152.483   2.5252  149.412   1.7709 3.070724 3.084266 
1 1 1    6    4  -27 o   49.011   1.0567  322.632   13.911  320.678   21.195  324.111   18.438   48.858   1.6152   49.121   1.3975 -0.2628212 2.135814 
1 1 1    6    4  -26 o  122.808   1.3013  2025.80   42.923  2028.70   60.531  2022.86   60.875  122.884   1.8340  122.707   1.8470 0.1771088 2.602884 
1 1 1    6    4  -25 o  167.750   1.3685  3779.84   61.661  3809.86   87.492  3750.21   86.916  168.399   1.9344  167.075   1.9368 1.323700 2.737358 
1 1 1    6    4  -24 o  270.100   2.3180  9802.60  168.166  9791.10  237.348  9814.21  238.299  269.870   3.2745  270.187   3.2837 -0.3174438 4.637339 
1 1 1    6    4  -23 o  184.670   1.4885  4580.87   73.832  4567.29   96.450  4600.10  114.746  184.382   1.9476  185.030   2.3089 -0.6474762 3.020593 
1 1 1    6    4  -22 o   67.267   0.9789  607.726   17.687  617.425   23.328  594.613   27.125   67.800   1.2810   66.533   1.5179 1.266357 1.986204 
1 1 1    6    4  -21 o  321.879   3.0664 13925.29  265.105 13830.67  304.865 14218.74  536.879  320.740   3.5388  324.851   6.1532 -4.110657 7.098254 
1 1 1    6    4  -20 o  461.694   3.5575 28655.11  441.152 28628.05  623.415 28682.25  624.354  461.247   5.0321  461.683   5.0349 -0.4359436 7.118493 
1 1 1    6    4  -19 f  156.949   1.3457  3308.50   56.727  3222.83   82.711  3384.59   77.948  154.892   1.9881  158.735   1.8283 -3.842789 2.700966 
1 1 1    6    4  -18 o  357.332   2.7670 17155.22  265.563 17128.15  375.116 17182.43  376.012  356.971   3.9124  357.536   3.9155 -0.5649414 5.535160 
1 1 1    6    4  -17 o  222.215   1.7585  6632.42  104.958  6589.72  147.770  6675.89  149.107  221.482   2.4840  222.925   2.4903 -1.443359 3.517355 
1 1 1    6    4  -16 o  338.508   2.6249 15392.96  238.658 15323.21  336.603 15463.46  338.432  337.693   3.7111  339.235   3.7143 -1.541687 5.250565 
1 1 1    6    4  -15 o  689.974   5.2904 63994.08  980.419 62716.27  1368.06 65343.27  1405.75  682.730   7.4604  696.873   7.5104 -14.14331 10.58604 
1 1 1    6    4  -14 o  304.631   2.7366 12465.36  223.910 12426.88  299.897 12513.84  336.581  304.133   3.6713  305.180   4.1062 -1.047089 5.508097 
1 1 1    6    4  -13 o  162.652   1.3243  3553.05   57.853  3527.62   81.461  3578.93   82.175  162.065   1.8714  163.240   1.8742 -1.174316 2.648567 
1 1 1    6    4  -12 o  253.544   2.2961  8634.27  156.361  8472.02  189.151  8984.43  277.869  251.143   2.8041  258.600   4.0005 -7.457672 4.885423 
1 1 1    6    4  -11 o  506.983   5.1027 34539.08  694.846 35141.56  1073.54 34104.72  911.537  511.177   7.8191  503.671   6.7381 7.505554 10.32179 
1 1 1    6    4  -10 o  350.618   3.5532 16514.05  334.616 16904.02  449.297 16028.35  501.420  354.695   4.7161  345.359   5.4055 9.336273 7.173685 
1 1 1    6    4   -9 o  149.212   1.2797  2990.12   51.288  2898.17   74.602  3072.52   70.625  146.897   1.8908  151.252   1.7385 -4.355072 2.568535 
1 1 1    6    4   -8 o  660.552   5.0637 58630.38  898.387 58209.68  1264.35 59059.38  1276.77  657.992   7.1541  662.775   7.1722 -4.783142 10.13022 
1 1 1    6    4   -7 o  736.249   5.8922 72852.87  1165.19 72480.42  1571.99 73306.98  1735.80  734.129   7.9724  738.196   8.7546 -4.066772 11.84068 
1 1 1    6    4   -6 o  424.378   3.2716 24192.08  372.910 23724.61  520.318 24685.80  534.726  420.208   4.6101  428.634   4.6446 -8.426147 6.544156 
1 1 1    6    4   -5 o  359.961   2.7836 17404.10  269.123 17598.80  383.197 17214.59  378.051  361.937   3.9418  357.964   3.9320 3.972382 5.567672 
1 1 1    6    4   -4 o  503.415   3.8691 34046.11  523.151 33896.23  737.672 34197.77  742.044  502.218   5.4686  504.446   5.4767 -2.228455 7.739555 
1 1 1    6    4   -3 o  221.365   1.9139  6581.40  113.796  6673.69  148.218  6448.90  177.601  222.905   2.4756  219.111   3.0178 3.793839 3.903314 
1 1 1    6    4   -2 o  350.911   2.8359 16540.21  267.284 16248.99  357.631 16908.70  402.293  347.780   3.8286  354.756   4.2220 -6.976044 5.699434 
1 1 1    6    4   -1 o  166.168   1.3442  3708.31   59.992  3674.86   84.404  3742.47   85.287  165.413   1.8998  166.928   1.9022 -1.514725 2.688409 
1 1 1    6    4    0 o  292.239   2.2747 11470.84  178.552 11389.12  251.470 11553.92  253.564  291.178   3.2154  293.277   3.2190 -2.098938 4.549793 
1 1 1    6    4    1 o  647.866   4.9680 56402.39  864.495 55694.30  1211.54 57136.90  1233.93  643.592   7.0087  651.869   7.0476 -8.277527 9.939280 
1 1 1    6    4    2 o   41.428   0.8311  230.496   9.2481  237.212   13.274  224.160   12.892   42.027   1.1759   40.855   1.1749 1.172546 1.662251 
1 1 1    6    4    3 o  260.178   2.0347  9091.70  142.187  9173.10  202.250  9012.15  199.935  261.327   2.8815  259.024   2.8738 2.302643 4.069589 
1 1 1    6    4    4 o  228.813   1.9738  7031.73  121.304  6882.25  154.563  7271.46  195.741  226.361   2.5422  232.664   3.1323 -6.303543 4.034102 
1 1 1    6    4    5 o  292.211   2.3763 11468.68  186.504 11475.83  252.481 11460.09  276.692  292.287   3.2161  292.079   3.5270 0.2076416 4.773139 
1 1 1    6    4    6 o  276.409   2.1567 10261.57  160.115 10302.13  227.008 10221.41  225.870  276.941   3.0519  275.854   3.0485 1.086975 4.313604 
1 1 1    6    4    7 o  669.065   5.1278 60152.45  921.500 59641.34  1296.00 60675.09  1310.52  666.023   7.2447  671.768   7.2633 -5.745239 10.25873 
1 1 1    6    4    8 o  325.546   2.7663 14235.09  241.884 14683.74  349.059 13820.62  335.495  330.608   3.9309  320.745   3.8943 9.862762 5.533355 
1 1 1    6    4    9 o  566.182   4.3454 43068.16  660.809 43239.07  936.922 42898.98  932.145  567.185   6.1502  564.951   6.1430 2.234375 8.692583 
1 1 1    6    4   10 o   50.437   0.7260  341.642   9.8346  361.228   14.790  326.116   13.168   51.863   1.0617   49.278   0.9949 2.584969 1.454995 
1 1 1    6    4   11 o  179.549   1.5812  4329.67   76.253  4327.52  120.382  4331.12   98.542  179.497   2.4970  179.576   2.0431 -0.7885742E-01 3.226290 
1 1 1    6    4   12 o  361.009   3.0600 17506.38  296.707 17356.87  380.669 17737.82  473.609  359.436   3.9431  363.324   4.8533 -3.887421 6.253153 
1 1 1    6    4   13 o  237.310   2.2887  7564.04  145.879  7518.05  205.614  7610.65  207.001  236.571   3.2359  238.024   3.2379 -1.452530 4.577672 
1 1 1    6    4   14 o  662.961   5.5695 59079.17  991.728 58142.09  1266.79 60562.78  1593.94  657.485   7.1734  670.769   8.8472 -13.28333 11.38997 
1 1 1    6    4   15 o  110.592   1.1167  1642.57   33.171  1651.61   44.584  1631.37   49.645  110.894   1.4969  110.211   1.6771 0.6826019 2.247931 
1 1 1    6    4   16 o   80.618   0.8597  872.855   18.615  892.447   26.579  853.993   26.079   81.517   1.2139   79.741   1.2177 1.775574 1.719403 
1 1 1    6    4   17 o  142.908   1.2430  2742.87   47.710  2748.12   64.571  2736.55   70.804  143.040   1.6807  142.737   1.8468 0.3034210 2.497108 
1 1 1    6    4   18 o  123.575   1.2219  2050.99   40.556  1978.66   53.123  2152.04   62.790  121.373   1.6296  126.576   1.8469 -5.203392 2.463052 
1 1 1    6    4   19 f  304.175   2.3694 12430.07  193.578 12210.32  270.559 12660.53  277.078  301.417   3.3420  306.922   3.3611 -5.505280 4.739801 
1 1 1    6    4   20 o  240.524   1.8953  7771.44  122.444  7995.80  176.196  7561.89  170.280  243.936   2.6892  237.226   2.6725 6.710342 3.791293 
1 1 1    6    4   21 o  134.378   1.3070  2425.41   47.173  2413.51   57.680  2449.43   81.977  134.043   1.6021  135.022   2.2604 -0.9788971 2.770624 
1 1 1    6    4   22 o   81.401   0.8370  889.909   18.300  877.484   24.602  905.298   27.380   80.828   1.1332   82.098   1.2417 -1.270065 1.681049 
1 1 1    6    4   23 o  165.943   1.3568  3698.75   60.474  3683.35   93.325  3709.89   79.399  165.577   2.0985  166.182   1.7789 -0.6053619 2.751006 
1 1 1    6    4   24 o   91.163   1.1352  1116.23   27.796  1156.03   43.454  1088.68   36.161   92.766   1.7440   90.027   1.4955 2.739105 2.297404 
1 1 1    6    4   25 o   64.082   1.1436  551.557   19.683  560.751   26.254  539.755   29.745   64.610   1.5129   63.387   1.7471 1.223705 2.311097 
1 1 1    6    4   26 o   59.012   1.2193  467.758   19.326  459.516   26.817  476.663   27.877   58.486   1.7071   59.566   1.7424 -1.080814 2.439338 
1 1 1    6    4   27 o  196.150   1.7247  5168.89   90.865  5036.61  141.226  5262.33  118.696  193.573   2.7163  197.891   2.2331 -4.318573 3.516425 
1 1 1    6    4   28 o   33.103   0.8269  147.176   7.3523  148.077   10.074  146.150   10.755   33.203   1.1296   32.986   1.2139 0.2172356 1.658213 
1 1 1    6    4   29 o  139.277   1.1768  2605.63   44.023  2552.26   61.478  2661.80   63.068  137.829   1.6607  140.756   1.6682 -2.926575 2.353895 
1 1 1    6    4   30 o  181.649   1.4728  4432.92   71.858  4362.55   93.108  4536.57  113.001  180.178   1.9240  183.712   2.2901 -3.534149 2.991002 
1 1 1    6    4   31 o  122.045   1.0642  2000.78   34.885  2008.61   45.735  1989.89   53.944  122.274   1.3926  121.693   1.6504 0.5805588 2.159427 
1 1 1    6    4   32 o  174.432   1.6427  4088.65   76.964  4096.37   94.455  4073.40  132.761  174.569   2.0145  174.000   2.8407 0.5693665 3.482522 
1 1 1    6    4   33 o  111.307   1.3086  1664.60   39.123  1694.60   52.093  1625.78   59.254  112.287   1.7273  109.968   2.0061 2.319122 2.647252 
1 1 1    6    4   34 o  123.298   1.0769  2042.37   35.662  2069.21   50.822  2016.33   50.055  124.083   1.5249  122.487   1.5215 1.595627 2.154132 
1 1 1    6    4   35 o   24.806   1.0857   82.674   7.2340   81.151   9.2720   85.044   11.565   24.532   1.4132   25.091   1.7265 -0.5592270 2.231083 
1 1 1    6    4   36 o   93.507   0.9903  1174.72   24.873  1162.17   35.026  1187.48   35.327   92.986   1.4024   93.994   1.3993 -1.007149 1.981122 
1 1 1    6    4   37 o  100.283   0.9392  1351.16   25.299  1336.95   35.560  1365.73   36.000   99.733   1.3275  100.800   1.3297 -1.067459 1.878906 
1 1 1    6    4   38 o   60.869   0.8019  497.743   13.110  499.716   19.692  496.172   17.569   60.976   1.2024   60.764   1.0765 0.2118683 1.613859 
1 1 1    6    4   39 o   17.412   1.2172   40.949   5.6566   45.598   8.0701   36.459   7.9309   18.337   1.6564   16.358   1.8368 1.978935 2.473415 
1 1 1    6    4   40 o   85.188   0.8994  975.113   20.579  977.578   28.020  972.225   30.324   85.276   1.2233   85.035   1.3277 0.2413254 1.805343 
1 1 1    6    4   41 o   34.981   0.8955  164.431   8.4136  162.059   13.590  165.904   10.714   34.711   1.4577   35.131   1.1354 -0.4203110 1.847730 
1 1 1    6    4   42 o  100.510   1.0408  1357.95   28.098  1361.09   39.600  1354.78   39.876  100.581   1.4658  100.346   1.4795 0.2350769 2.082705 
1 1 1    6    4   43 o   93.436   0.9180  1173.42   23.039  1169.83   32.523  1177.05   32.641   93.254   1.2985   93.541   1.2992 -0.2872086 1.836834 
1 1 1    6    4   44 o   34.701   0.8332  161.839   7.7654  156.550   11.006  167.080   10.958   34.114   1.2012   35.245   1.1575 -1.130733 1.668159 
1 1 1    6    4   45 o   57.101   0.8426  438.275   12.923  443.848   18.223  432.637   18.330   57.437   1.1813   56.705   1.2035 0.7319870 1.686345 
1 1 1    6    4   46 o   41.802   0.9017  234.938   10.123  238.300   14.473  231.717   14.165   42.075   1.2807   41.490   1.2711 0.5844917 1.804405 
1 1 1    6    4   47 o   65.178   0.8190  571.103   14.338  582.457   20.477  560.182   20.083   65.789   1.1588   64.519   1.1589 1.270317 1.638910 
1 1 1    6    4   48 o   72.467   0.8505  706.088   16.554  704.387   23.418  707.787   23.404   72.337   1.2053   72.511   1.2017 -0.1748886 1.701985 
1 1 1    6    4   49 o   47.575   1.0101  304.508   12.908  300.443   18.241  308.584   18.267   47.212   1.4385   47.850   1.4213 -0.6375008 2.022231 
1 1 1    6    4   50 o   25.919   1.0749   90.420   7.4832   91.494   10.392   89.263   10.785   26.002   1.4942   25.672   1.5716 0.3303947 2.168586 
1 1 1    6    4   51 o   58.279   0.8222  456.793   12.869  459.553   18.181  454.022   18.219   58.412   1.1588   58.058   1.1684 0.3539696 1.645563 
1 1 1    6    4   52 o   16.177   1.8580   35.888   7.9264   32.391   10.781   40.002   11.693   15.172   2.7468   16.922   2.6605 -1.750184 3.824065 
1 1 1    6    4   53 o   25.806   1.1396   89.733   7.8990   96.182   11.626   84.203   10.765   26.622   1.6338   24.905   1.6181 1.716969 2.299454 
1 1 1    6    4   54 o   42.222   0.8889  239.907   10.081  229.861   14.204  250.103   14.310   41.282   1.2810   43.068   1.2371 -1.785580 1.780818 
1 1 1    6    4   55 o   16.432   1.6847   36.908   7.3299   29.558   9.9497   45.632   10.839   14.484   2.6555   18.173   2.2702 -3.689724 3.493637 
1 1 1    6    4   56 o   10.932   2.6789   17.010   7.8045   16.887   9.9232   17.209   12.637   10.943   3.1841   11.250   3.6540 -0.3074484 4.846686 
1 1 1    6    4   57 o   25.122   1.2431   85.157   8.3882   84.661   12.085   85.618   11.652   24.918   1.8182   25.075   1.7409 -0.1568050 2.517275 
1 1 1    6    4   58 o   43.129   0.9355  250.572   10.837  255.016   15.387  246.198   15.265   43.445   1.3186   42.685   1.3315 0.7602081 1.873930 
1 1 1    6    4   59 o   44.082   1.0679  262.209   12.645  274.608   17.807  249.598   17.958   45.017   1.4727   42.895   1.5587 2.121983 2.144413 
1 1 1    6    4   60 o   11.226   2.8068   18.249   8.4404   7.7152   11.720   29.601   12.166   8.8548   3.4392   14.216   3.2562 -5.361182 4.736097 
1 1 1    6    4   61 o   22.418   1.5856   68.814   9.4856   42.643   12.538  103.843   14.505   17.235   2.8050   27.426   1.9825 -10.19147 3.434870 
1 1 1    6    4   62 o   6.1599   2.7778  -4.0383   9.7247   10.273   13.941 -17.6029   13.572   9.6777   3.7531   6.0328   2.8953 3.644891 4.740120 
1 1 1    6    4   63 o   14.353   2.4460   29.684   9.0916   24.066   12.853   35.308   12.861   12.548   3.6160   15.347   3.2228 -2.798533 4.843763 
1 1 1    6    5  -62 o   13.910   2.4883   27.865   8.9551   38.655   12.592   16.823   12.738   16.228   2.9995   10.852   3.6729 5.375792 4.742106 
1 1 1    6    5  -61 o   25.018   1.6088   85.748   10.753   72.940   14.926   99.569   15.505   22.753   2.4827   26.756   2.1764 -4.003054 3.301570 
1 1 1    6    5  -60 o   52.088   0.9237  366.003   12.923  360.476   18.754  371.001   17.833   51.560   1.3542   52.338   1.2686 -0.7781219 1.855590 
1 1 1    6    5  -59 o   44.098   0.9330  262.168   11.051  273.928   15.609  250.349   15.647   44.997   1.2915   43.001   1.3548 1.996078 1.871753 
1 1 1    6    5  -58 o   10.284   2.7678   15.105   7.8139   1.0242   12.135   25.077   10.213   7.8167   3.3192   13.207   2.9531 -5.390165 4.442771 
1 1 1    6    5  -57 o   43.841   0.9231  258.821   10.870  252.587   15.472  264.897   15.274   43.246   1.3320   44.296   1.2838 -1.050224 1.850004 
1 1 1    6    5  -56 f   36.380   0.9831  178.234   9.6060  178.960   13.351  177.456   13.832   36.407   1.3653   36.245   1.4208 0.1613503 1.970491 
1 1 1    6    5  -55 o   54.462   0.9003  399.224   13.169  402.584   19.289  396.291   18.023   54.623   1.3148   54.209   1.2379 0.4140739 1.805795 
1 1 1    6    5  -54 f   41.851   1.0440  235.907   11.736  242.377   16.315  228.970   16.893   42.366   1.4338   41.162   1.5280 1.203819 2.095386 
1 1 1    6    5  -53 o   44.572   0.9176  267.393   10.985  271.368   15.472  263.351   15.600   44.855   1.2842   44.183   1.3145 0.6721573 1.837714 
1 1 1    6    5  -52 o   52.333   0.8415  368.447   11.828  366.828   16.598  370.117   16.860   52.173   1.1845   52.404   1.1979 -0.2312698 1.684605 
1 1 1    6    5  -51 o   33.883   1.0771  154.589   9.8022  161.858   13.833  147.257   13.892   34.629   1.4872   33.021   1.5663 1.607857 2.159914 
1 1 1    6    5  -50 o   56.190   0.9236  424.758   13.939  426.201   19.651  423.296   19.774   56.237   1.3009   56.043   1.3137 0.1938896 1.848823 
1 1 1    6    5  -49 o   27.820   1.0141  104.137   7.5772  101.942   11.019  106.105   10.437   27.454   1.5000   28.059   1.3848 -0.6048717 2.041504 
1 1 1    6    5  -48 o   33.516   0.9288  151.083   8.3610  147.322   11.530  155.254   12.142   33.073   1.2980   33.950   1.3316 -0.8762054 1.859512 
1 1 1    6    5  -47 o   43.499   0.8301  254.385   9.6979  262.207   13.814  246.783   13.618   44.139   1.1652   42.820   1.1841 1.319416 1.661246 
1 1 1    6    5  -46 o   60.429   0.8386  490.914   13.611  498.349   20.390  484.937   18.280   60.846   1.2476   60.034   1.1337 0.8122101 1.685778 
1 1 1    6    5  -45 o   27.706   0.9522  103.219   7.0858  107.615   10.150   99.040   9.8967   28.273   1.3365   27.088   1.3646 1.185284 1.910135 
1 1 1    6    5  -44 o   59.183   0.8184  470.774   13.010  474.978   19.020  467.079   17.834   59.419   1.1918   58.929   1.1268 0.4907074 1.640096 
1 1 1    6    5  -43 o   98.720   1.1505  1310.65   30.505  1323.01   43.136  1298.28   43.146   99.115   1.6204   98.182   1.6361 0.9333344 2.302693 
1 1 1    6    5  -42 o   78.663   0.9656  831.715   20.402  836.844   27.334  825.261   30.658   78.879   1.2902   78.314   1.4575 0.5643539 1.946513 
1 1 1    6    5  -41 o   17.254   1.2270   40.229   5.6493   41.258   7.9892   39.200   7.9895   17.422   1.7302   16.971   1.7792 0.4503326 2.481784 
1 1 1    6    5  -40 o   37.412   0.7903  188.048   7.9415  178.278   11.161  198.068   11.302   36.418   1.1410   38.388   1.0962 -1.969505 1.582250 
1 1 1    6    5  -39 o   94.007   1.1118  1187.75   28.072  1180.71   55.224  1190.20   32.598   93.622   2.1961   94.092   1.2899 -0.4697952 2.546912 
1 1 1    6    5  -38 o  103.464   1.1794  1438.76   32.776  1449.47   41.738  1421.54   52.939  103.823   1.4967  102.775   1.9178 1.047974 2.432697 
1 1 1    6    5  -37 o  156.717   1.3057  3301.30   54.960  3334.08   78.121  3269.18   77.335  157.423   1.8476  155.883   1.8471 1.539627 2.612527 
1 1 1    6    5  -36 f  102.606   0.9519  1414.47   26.232  1409.64   37.043  1419.32   37.154  102.409   1.3467  102.760   1.3461 -0.3510056 1.904128 
1 1 1    6    5  -35 o  102.822   1.0967  1420.52   30.287  1509.96   47.312  1358.42   39.425  105.976   1.6621  100.530   1.4601 5.445732 2.212374 
1 1 1    6    5  -34 o  220.132   1.9232  6516.12  113.709  6489.02  160.363  6543.52  161.260  219.532   2.7197  220.451   2.7235 -0.9191437 3.848871 
1 1 1    6    5  -33 o   85.336   0.8501  978.179   19.484  955.476   27.256  1001.90   27.862   84.331   1.2033   86.355   1.2012 -2.024597 1.700285 
1 1 1    6    5  -32 o  148.599   1.2430  2966.63   49.609  2956.55   69.992  2976.81   70.326  148.318   1.7570  148.825   1.7593 -0.5070190 2.486399 
1 1 1    6    5  -31 o  262.206   2.0627  9241.57  145.270  9323.95  206.593  9161.00  204.312  263.250   2.9218  260.940   2.9151 2.309418 4.127373 
1 1 1    6    5  -30 o  131.291   1.2354  2315.55   43.565  2313.59   61.354  2317.56   61.870  131.216   1.7408  131.328   1.7540 -0.1119537 2.471241 
1 1 1    6    5  -29 o  153.135   1.3296  3150.18   54.689  3115.70   73.525  3192.89   81.822  152.276   1.7977  154.142   1.9763 -1.866211 2.671606 
1 1 1    6    5  -28 o  248.487   2.7728  8301.54  185.060  8124.80  223.855  8683.10  328.909  245.760   3.3913  253.845   4.8241 -8.085632 5.896825 
1 1 1    6    5  -27 o  122.173   1.3864  2005.02   45.494  2005.94   60.126  2003.79   69.582  122.189   1.8321  122.115   2.1215 0.7437134E-01 2.803056 
1 1 1    6    5  -26 o  269.087   2.3112  9730.27  167.043  9513.16  232.670  9961.21  239.969  265.985   3.2568  272.174   3.2826 -6.188934 4.624085 
1 1 1    6    5  -25 o   97.792   1.1980  1284.52   31.467  1306.21   48.558  1268.82   41.316   98.604   1.8335   97.187   1.5828 1.416771 2.422135 
1 1 1    6    5  -24 f  453.588   3.8326 27672.55  466.926 27358.71  732.648 27887.21  605.920  450.494   6.0550  455.110   4.9569 -4.616058 7.825189 
1 1 1    6    5  -23 o  124.893   1.1761  2095.05   39.451  2087.07   62.324  2100.39   50.960  124.642   1.8617  125.046   1.5173 -0.4042358 2.401653 
1 1 1    6    5  -22 o  195.106   1.5640  5113.37   81.958  5012.87  114.499  5218.96  117.368  193.157   2.2070  197.087   2.2172 -3.930191 3.128358 
1 1 1    6    5  -21 o  112.972   1.2947  1714.25   39.284  1777.91   52.722  1634.78   58.903  115.044   1.7062  110.311   1.9881 4.733307 2.619836 
1 1 1    6    5  -20 o  176.552   1.6489  4187.09   78.193  4228.17   96.320  4107.69  133.909  177.406   2.0214  174.829   2.8517 2.576553 3.495475 
1 1 1    6    5  -19 o  245.603   1.9324  8103.20  127.476  8068.77  179.813  8137.99  180.747  245.045   2.7320  246.094   2.7345 -1.048752 3.865421 
1 1 1    6    5  -18 o  171.762   1.3933  3962.55   64.277  3940.48   90.567  3984.96   91.240  171.272   1.9688  172.236   1.9723 -0.9637756 2.786748 
1 1 1    6    5  -17 o  110.211   1.1163  1631.34   33.045  1639.65   44.401  1621.02   49.476  110.488   1.4962  109.857   1.6768 0.6313171 2.247250 
1 1 1    6    5  -16 o  186.195   1.6390  4656.47   81.968  4498.63  113.335  4829.58  118.691  183.000   2.3058  189.612   2.3306 -6.611450 3.278440 
1 1 1    6    5  -15 o   90.294   0.9707  1094.96   23.542  1120.80   31.872  1063.93   34.923   91.352   1.2990   89.003   1.4609 2.348564 1.954859 
1 1 1    6    5  -14 o  231.005   1.8225  7167.29  113.080  7203.79  160.407  7131.22  159.437  231.578   2.5789  230.409   2.5763 1.169342 3.645277 
1 1 1    6    5  -13 o  585.531   4.4947 46071.80  706.872 46327.52  1003.41 45819.86  995.971  586.969   6.3646  583.746   6.3523 3.223450 8.992192 
1 1 1    6    5  -12 o  511.007   3.9277 35083.36  539.084 35633.78  769.904 34553.95  755.071  514.888   5.5671  507.028   5.5445 7.859741 7.857144 
1 1 1    6    5  -11 o  286.666   2.2349 11037.48  172.077 11018.53  243.113 11056.52  243.596  286.401   3.1604  286.895   3.1612 -0.4932556 4.470059 
1 1 1    6    5  -10 o  110.729   1.6673  1646.68   49.586  1608.94   69.181  1686.57   71.110  109.448   2.3533  112.058   2.3626 -2.609230 3.334689 
1 1 1    6    5   -9 o  247.081   2.7424  8200.05  181.997  8033.31  254.081  8375.75  260.816  244.535   3.8685  249.692   3.8890 -5.157104 5.485384 
1 1 1    6    5   -8 o   91.611   1.0281  1127.11   25.297  1143.60   32.155  1100.34   40.981   92.278   1.2974   90.514   1.6857 1.763458 2.127110 
1 1 1    6    5   -7 o  563.601   4.3280 42676.54  655.171 42059.29  917.509 43318.73  935.869  559.394   6.1066  567.705   6.1376 -8.311218 8.658010 
1 1 1    6    5   -6 o  532.020   4.2692 38027.33  610.052 38278.35  829.042 37730.90  900.922  533.682   5.7836  529.813   6.3310 3.869385 8.575091 
1 1 1    6    5   -5 o  123.837   1.2094  2059.57   40.226  2025.22   53.538  2104.09   60.957  122.798   1.6232  125.166   1.8132 -2.367325 2.433626 
1 1 1    6    5   -4 o  273.138   2.1322 10020.11  156.425 10012.69  221.067 10027.54  221.369  273.023   3.0146  273.226   3.0165 -0.2023315 4.264647 
1 1 1    6    5   -3 o   94.560   1.1177  1200.86   28.387  1198.29   37.529  1204.30   43.400   94.458   1.4792   94.694   1.7064 -0.2357635 2.258264 
1 1 1    6    5   -2 o  683.248   5.7361 62739.98  1052.65 62619.21  1357.37 62922.20  1667.35  682.419   7.4055  683.853   9.0776 -1.434143 11.71514 
1 1 1    6    5   -1 o  466.467   3.9312 29231.97  492.538 29144.65  634.818 29364.04  780.703  465.715   5.0750  467.395   6.2188 -1.680328 8.026814 
1 1 1    6    5    0 o  268.672   2.0988  9695.10  151.456  9675.21  213.828  9715.13  214.557  268.383   2.9663  268.936   2.9703 -0.5531006 4.197829 
1 1 1    6    5    1 o  210.214   2.0402  5935.11  115.192  6018.13  164.533  5855.30  161.327  211.669   2.8940  208.786   2.8768 2.883026 4.080617 
1 1 1    6    5    2 o  121.150   1.4579  1971.21   47.439  2010.71   58.753  1897.21   80.411  122.357   1.7878  118.849   2.5190 3.508003 3.088921 
1 1 1    6    5    3 o  603.742   5.0729 48979.85  822.622 48850.55  1060.28 49175.38  1303.86  602.827   6.5484  604.680   8.0281 -1.853271 10.36012 
1 1 1    6    5    4 o  232.907   1.8329  7285.49  114.663  7337.57  162.862  7234.31  161.463  233.729   2.5943  232.078   2.5903 1.650284 3.666035 
1 1 1    6    5    5 o  380.784   2.9402 19476.14  300.707 19381.20  423.879 19572.34  426.662  379.818   4.1550  381.686   4.1618 -1.868073 5.880923 
1 1 1    6    5    6 o  725.414   5.5583 70718.69  1082.98 71565.91  1543.30 69896.73  1520.11  729.492   7.8766  720.938   7.8503 8.554077 11.12056 
1 1 1    6    5    7 o  114.667   1.2100  1765.85   37.266  1808.96   61.545  1740.89   46.827  116.055   1.9744  113.853   1.5313 2.202385 2.498629 
1 1 1    6    5    8 o  239.981   1.9707  7734.89  127.026  7574.21  185.681  7876.25  174.157  237.463   2.9113  242.155   2.6777 -4.692001 3.955411 
1 1 1    6    5    9 o  603.513   5.6714 48950.91  919.324 50086.46  1319.27 47878.96  1281.78  610.240   8.0490  596.647   7.9984 13.59369 11.34729 
1 1 1    6    5   10 o  202.367   2.1081  5500.31  114.584  5497.02  151.615  5504.69  174.976  202.298   2.7903  202.433   3.2182 -0.1346436 4.259408 
1 1 1    6    5   11 o  277.146   2.4988 10316.90  186.011 10270.82  248.881 10375.20  279.973  276.509   3.3511  277.900   3.7509 -1.391388 5.029834 
1 1 1    6    5   12 o  421.177   3.2472 23829.72  367.342 23558.57  515.580 24109.27  523.512  418.713   4.5844  423.578   4.6015 -4.864716 6.495471 
1 1 1    6    5   13 o  341.514   2.6465 15666.58  242.756 15759.42  344.601 15575.12  342.033  342.487   3.7461  340.479   3.7401 2.008240 5.293559 
1 1 1    6    5   14 o  196.400   1.6380  5180.70   86.405  5227.27  117.663  5126.19  127.295  197.273   2.2206  195.353   2.4260 1.920029 3.288915 
1 1 1    6    5   15 o  347.476   2.6923 16219.76  251.268 16113.54  353.820 16327.84  356.895  346.284   3.8042  348.578   3.8120 -2.294708 5.385405 
1 1 1    6    5   16 o   62.394   0.8630  522.834   14.462  519.461   20.391  526.247   20.514   62.191   1.2207   62.596   1.2202 -0.4048691 1.725977 
1 1 1    6    5   17 o  302.827   2.3580 12319.46  191.788 12123.45  268.612 12523.29  273.926  300.359   3.3296  305.272   3.3408 -4.912140 4.716710 
1 1 1    6    5   18 o   85.227   0.8562  975.515   19.599  975.170   26.423  975.937   29.224   85.210   1.1545   85.242   1.2764 -0.3263092E-01 1.721072 
1 1 1    6    5   19 o  295.950   2.5280 11768.36  200.952 11646.96  257.614 11957.04  321.154  294.371   3.2582  298.200   4.0097 -3.829193 5.166613 
1 1 1    6    5   20 o  199.305   1.8389  5336.15   98.440  5459.20  122.336  5110.14  165.800  201.575   2.2596  194.983   3.1659 6.592468 3.889542 
1 1 1    6    5   21 o  353.202   2.7378 16765.24  259.730 16631.03  365.365 16902.34  369.294  351.664   3.8682  354.519   3.8783 -2.855560 5.477594 
1 1 1    6    5   22 o  111.217   1.1994  1661.38   35.830  1710.81   51.673  1615.60   49.726  112.852   1.7047  109.667   1.6882 3.184761 2.399176 
1 1 1    6    5   23 o  264.585   2.1683  9405.76  154.090  9212.35  225.318  9575.70  211.200  261.777   3.2046  266.911   2.9460 -5.133636 4.352969 
1 1 1    6    5   24 f  285.626   2.4457 10962.93  187.622 10975.64  296.735 10954.47  242.176  285.658   3.8675  285.456   3.1586 0.2016907 4.993459 
1 1 1    6    5   25 o  213.839   2.0848  6143.91  119.741  6306.77  242.764  6091.54  137.650  216.498   4.1748  212.909   2.4071 3.589401 4.819041 
1 1 1    6    5   26 o  181.367   2.0795  4419.81  101.302  4352.85  173.825  4454.25  124.660  179.896   3.5975  182.049   2.5495 -2.153015 4.409276 
1 1 1    6    5   27 o   73.201   0.9801  719.692   19.271  773.083   40.930  704.486   21.843   75.852   2.0090   72.422   1.1229 3.430252 2.301529 
1 1 1    6    5   28 o  164.638   1.3516  3641.15   59.770  3721.11   85.555  3564.91   83.537  166.414   1.9141  162.884   1.9095 3.529999 2.703661 
1 1 1    6    5   29 o  104.771   1.0452  1474.44   29.414  1491.78   38.120  1448.92   46.240  105.380   1.3468  103.847   1.6578 1.532852 2.135926 
1 1 1    6    5   30 o  268.651   2.2036  9701.39  159.005  9671.37  198.875  9754.59  264.729  268.165   2.7611  269.170   3.6617 -1.005035 4.586058 
1 1 1    6    5   31 o  192.797   1.6239  4994.71   84.093  5012.75  105.609  4963.48  139.009  193.113   2.0361  192.097   2.6942 1.016083 3.377033 
1 1 1    6    5   32 o  197.445   1.5883  5238.81   84.232  5211.46  118.662  5266.58  119.588  196.867   2.2441  197.905   2.2498 -1.037552 3.177674 
1 1 1    6    5   33 o   71.022   0.7819  677.536   14.916  674.311   21.023  680.805   21.167   70.847   1.1048   71.187   1.1071 -0.3402405 1.564010 
1 1 1    6    5   34 o  227.054   1.9794  6932.90  120.712  7091.17  173.079  6782.99  168.441  229.472   2.8082  224.433   2.7943 5.038712 3.961534 
1 1 1    6    5   35 o   87.497   1.0048  1028.56   23.613  1028.44   31.654  1028.71   35.457   87.478   1.3472   87.481   1.5090 -0.3227234E-02 2.022886 
1 1 1    6    5   36 f   44.649   0.7435  267.788   8.9167  257.078   12.484  278.943   12.740   43.741   1.0626   45.563   1.0411 -1.822704 1.487583 
1 1 1    6    5   37 o   40.416   0.9574  219.474   10.393  230.980   13.368  201.892   16.525   41.456   1.2006   38.747   1.5879 2.709160 1.990675 
1 1 1    6    5   38 o   42.681   0.8023  244.734   9.1969  241.137   13.041  248.293   12.972   42.358   1.1463   42.983   1.1236 -0.6245155 1.605138 
1 1 1    6    5   39 o   81.132   0.8422  884.393   18.352  869.239   25.798  899.916   26.111   80.416   1.1944   81.823   1.1881 -1.407127 1.684707 
1 1 1    6    5   40 o   56.061   0.8276  422.277   12.461  419.499   19.520  424.187   16.189   55.857   1.3011   56.179   1.0729 -0.3219986 1.686420 
1 1 1    6    5   41 o   78.727   0.8724  832.865   18.448  826.412   24.963  840.629   27.383   78.401   1.1854   79.065   1.2894 -0.6634064 1.751539 
1 1 1    6    5   42 o   56.996   0.8053  436.525   12.328  427.448   18.308  444.054   16.675   56.379   1.2090   57.472   1.0803 -1.092461 1.621334 
1 1 1    6    5   43 o   94.276   0.9577  1194.78   24.250  1160.30   35.332  1225.50   33.344   92.851   1.4167   95.440   1.3008 -2.589203 1.923296 
1 1 1    6    5   44 o   57.906   0.8451  450.700   13.143  449.921   18.485  451.496   18.692   57.831   1.1900   57.931   1.2013 -0.1002274 1.690941 
1 1 1    6    5   45 o   77.555   0.9381  808.723   19.542  804.870   27.636  812.576   27.637   77.322   1.3307   77.693   1.3244 -0.3701553 1.877449 
1 1 1    6    5   46 o   70.368   0.8199  665.663   15.497  664.916   21.936  666.407   21.897   70.293   1.1618   70.373   1.1585 -0.7918549E-01 1.640720 
1 1 1    6    5   47 o   31.418   0.9322  132.747   7.8664  129.373   11.030  136.240   11.222   30.994   1.3249   31.807   1.3136 -0.8127766 1.865726 
1 1 1    6    5   48 o   62.846   1.0141  531.351   17.118  526.546   24.761  535.749   23.690   62.500   1.4750   63.056   1.3988 -0.5555878 2.032796 
1 1 1    6    5   49 o   59.035   0.8232  468.626   13.053  470.378   18.386  466.845   18.535   59.109   1.1581   58.885   1.1719 0.2241936 1.647599 
1 1 1    6    5   50 o   27.303   1.1841  100.398   8.6832   94.383   12.285  106.405   12.275   26.372   1.7442   28.024   1.6379 -1.652412 2.392711 
1 1 1    6    5   51 o   60.705   0.9910  495.997   16.158  491.430   24.648  499.439   21.397   60.333   1.5210   60.864   1.3089 -0.5311584 2.006649 
1 1 1    6    5   52 o   38.843   0.8910  203.021   9.2961  192.520   13.123  213.599   13.171   37.784   1.2931   39.806   1.2319 -2.022388 1.785945 
1 1 1    6    5   53 o   59.354   0.8748  474.052   13.946  483.263   19.323  464.037   20.148   59.874   1.2015   58.656   1.2789 1.217800 1.754755 
1 1 1    6    5   54 f   49.202   1.0814  326.136   14.291  340.859   20.619  312.522   19.826   50.222   1.5285   48.088   1.5350 2.134098 2.166283 
1 1 1    6    5   55 o   56.963   0.8636  436.642   13.213  423.998   18.465  449.908   18.914   56.074   1.2260   57.763   1.2191 -1.689198 1.728968 
1 1 1    6    5   56 f   27.834   1.2352  104.503   9.2343  105.599   12.298  103.085   13.983   27.884   1.6493   27.498   1.9050 0.3863392 2.519758 
1 1 1    6    5   57 o   50.421   0.9206  342.350   12.468  357.388   18.220  329.105   17.099   51.444   1.3186   49.372   1.2894 2.071503 1.844258 
1 1 1    6    5   58 o   39.347   0.9548  208.614   10.090  206.662   13.996  210.726   14.559   39.100   1.3328   39.474   1.3732 -0.3746147 1.913603 
1 1 1    6    5   59 o   10.996   2.7069   17.409   7.9411   23.480   11.966   12.631   10.616   12.677   3.4308   9.7847   3.3528 2.892533 4.797037 
1 1 1    6    5   60 o   16.028   2.3074   36.127   9.6467   40.548   12.314   29.103   15.521   16.824   2.8251   13.939   3.9598 2.885147 4.864327 
1 1 1    6    5   61 o   8.5125   2.9903   9.3454   8.4686   10.418   12.480   8.4303   11.529   9.4862   3.5827   8.8935   3.4231 0.5927467 4.955190 
1 1 1    6    5   62 o   15.144   2.4657   32.876   9.6844   40.349   13.210   24.194   14.239   16.549   3.0855   12.625   3.8496 3.924399 4.933571 
1 1 1    6    6    0 o  474.469   6.3257 30246.53  806.131 31106.88  948.006 28000.00  1531.91  481.132   7.3359  456.207   12.502 24.92529 14.49535 
1 1 1    6    6    1 o  475.856   4.0092 30420.92  512.424 30457.79  662.103 30365.85  809.177  476.086   5.1778  475.295   6.3385 0.7914124 8.184554 
1 1 1    6    6    2 o  681.371   5.4541 62391.34  998.160 61977.02  1345.75 62898.00  1488.20  678.914   7.3800  683.853   8.1022 -4.938660 10.95953 
1 1 1    6    6    3 o  253.740   2.1781  8647.44  148.442  8693.47  192.229  8579.45  233.635  254.405   2.8132  252.720   3.4420 1.685272 4.445352 
1 1 1    6    6    4 o  271.347   2.3212  9889.28  169.174  9971.43  219.544  9769.20  265.432  272.460   3.0000  269.669   3.6646 2.790649 4.736007 
1 1 1    6    6    5 o   50.393   0.9494  341.042   12.850  342.455   16.714  338.999   20.095   50.497   1.2323   50.241   1.4892 0.2559166 1.932937 
1 1 1    6    6    6 f  512.961   4.3178 35352.61  594.887 35196.32  765.628 35590.72  944.999  511.752   5.5701  514.516   6.8382 -2.764160 8.819710 
1 1 1    6    6    7 o  302.544   2.7176 12294.64  220.838 12301.62  270.719 12280.76  381.801  302.616   3.3307  302.319   4.7020 0.2967224 5.762115 
1 1 1    6    6    8 o  930.277   9.3342 116473.30  2332.29 120985.90  3651.70 113364.40  3031.05  946.728   14.361  917.045   12.306 29.68256 18.91200 
1 1 1    6    6    9 o  233.050   2.4038  7295.01  150.465  7397.74  231.704  7220.10  197.861  234.662   3.6762  231.837   3.1775 2.824280 4.859099 
1 1 1    6    6   10 o  378.710   2.9266 19265.46  297.691 19150.83  419.194 19382.07  422.827  377.537   4.1339  379.809   4.1448 -2.272095 5.853961 
1 1 1    6    6   11 o   75.399   0.9830  763.495   19.908  782.829   26.469  738.312   30.209   76.347   1.2908   74.144   1.5169 2.203323 1.991796 
1 1 1    6    6   12 o  403.133   3.1113 21832.43  336.886 22209.81  481.811 21471.46  471.224  406.535   4.4125  399.722   4.3891 6.813202 6.223725 
1 1 1    6    6   13 o  495.453   3.8105 32984.83  507.083 32301.40  707.280 33707.67  727.390  490.156   5.3724  500.708   5.4087 -10.55212 7.623380 
1 1 1    6    6   14 o  132.748   1.2866  2366.74   45.875  2345.50   68.298  2384.19   61.923  132.145   1.9243  133.232   1.7304 -1.087631 2.587884 
1 1 1    6    6   15 o  118.169   1.1139  1875.42   35.353  1861.35   49.754  1889.77   50.244  117.721   1.5735  118.616   1.5771 -0.8952484 2.227817 
1 1 1    6    6   16 o  225.134   1.7802  6808.13  107.646  6872.72  153.079  6744.95  151.404  226.177   2.5198  224.065   2.5158 2.112274 3.560723 
1 1 1    6    6   17 o  242.606   1.9097  7906.40  124.443  7885.14  175.616  7927.83  176.364  242.249   2.6990  242.903   2.7032 -0.6547089 3.819990 
1 1 1    6    6   18 o  118.311   1.4376  1880.10   45.683  1888.91   64.575  1871.28   64.635  118.577   2.0276  118.023   2.0390 0.5546722 2.875485 
1 1 1    6    6   19 o  123.582   1.2220  2051.29   40.563  2045.39   49.607  2063.21   70.462  123.399   1.4967  123.924   2.1169 -0.5240250 2.592610 
1 1 1    6    6   20 o  259.365   2.2306  9038.30  155.391  9013.40  200.170  9076.07  246.508  258.967   2.8778  259.814   3.5324 -0.8475647 4.556310 
1 1 1    6    6   21 o  166.008   1.4152  3701.72   63.100  3761.61   86.182  3632.51   92.641  167.332   1.9176  164.429   2.0976 2.902405 2.842027 
1 1 1    6    6   22 o  145.464   1.7096  2842.50   66.795  2853.95  116.029  2836.82   81.689  145.714   2.9647  145.308   2.0931 0.4057159 3.629062 
1 1 1    6    6   23 o  343.391   2.9199 15850.00  269.306 15513.18  419.757 16085.64  351.089  339.498   4.6033  345.830   3.7797 -6.332275 5.956238 
1 1 1    6    6   24 o  182.475   1.9316  4473.50   94.669  4492.22  144.883  4459.54  125.058  182.806   2.9508  182.162   2.5560 0.6441650 3.903880 
1 1 1    6    6   25 o  214.187   1.8675  6163.49  107.435  6150.28  169.484  6172.37  138.910  213.891   2.9502  214.311   2.4132 -0.4203644 3.811439 
1 1 1    6    6   26 o  136.088   1.2023  2487.62   43.946  2506.16   65.307  2472.28   59.409  136.579   1.7803  135.657   1.6305 0.9218140 2.414083 
1 1 1    6    6   27 o  150.846   1.5402  3056.87   62.403  3030.86   87.984  3083.20   88.521  150.177   2.1813  151.468   2.1759 -1.291534 3.080973 
1 1 1    6    6   28 o  145.666   1.2197  2850.26   47.721  2787.61   66.606  2916.35   68.405  144.039   1.7216  147.327   1.7287 -3.288116 2.439733 
1 1 1    6    6   29 o   68.922   0.8477  638.027   15.693  659.103   20.207  605.994   24.912   70.049   1.0740   67.163   1.3810 2.886101 1.749471 
1 1 1    6    6   30 o  163.809   1.5591  3605.43   68.595  3727.46  104.876  3514.19   90.681  166.504   2.3451  161.690   2.0880 4.814194 3.139969 
1 1 1    6    6   31 f  117.942   1.0383  1868.57   32.892  1869.98   46.470  1867.16   46.564  117.971   1.4666  117.882   1.4707 0.8946228E-01 2.076939 
1 1 1    6    6   32 o   68.923   0.8493  638.078   15.723  658.236   22.448  618.667   22.028   69.996   1.1940   67.859   1.2086 2.136833 1.698927 
1 1 1    6    6   33 o  159.099   1.4430  3401.73   61.664  3395.31   87.035  3408.20   87.378  158.894   2.0393  159.195   2.0435 -0.3009033 2.887031 
1 1 1    6    6   34 o  123.096   1.2447  2036.15   41.154  2039.24   55.196  2032.27   61.757  123.160   1.6686  122.932   1.8704 0.2277451 2.506493 
1 1 1    6    6   35 o  138.432   1.1793  2575.19   43.849  2615.40   62.523  2536.26   61.512  139.465   1.6691  137.339   1.6675 2.125992 2.359355 
1 1 1    6    6   36 o  123.910   1.0846  2063.18   36.096  2055.05   50.895  2071.41   51.202  123.629   1.5327  124.120   1.5359 -0.4907074 2.169814 
1 1 1    6    6   37 o  115.262   1.0320  1785.22   31.949  1802.33   45.366  1768.39   45.001  115.778   1.4589  114.682   1.4609 1.095352 2.064607 
1 1 1    6    6   38 o  120.302   1.3956  1945.92   45.095  1971.16   69.735  1927.78   59.121  120.980   2.1461  119.687   1.8391 1.293449 2.826264 
1 1 1    6    6   39 o   36.640   0.9183  180.396   9.0372  180.671   15.947  180.266   10.968   36.646   1.6202   36.622   1.1151 0.2396011E-01 1.966846 
1 1 1    6    6   40 o   47.544   0.8750  303.740   11.174  304.214   15.314  303.201   16.341   47.569   1.1986   47.486   1.2812 0.8293533E-01 1.754464 
1 1 1    6    6   41 o   20.471   1.0883   56.497   5.9622   53.714   8.4611   59.241   8.4029   19.914   1.5953   20.929   1.5049 -1.014853 2.193093 
1 1 1    6    6   42 o   51.976   0.8101  363.035   11.310  361.537   15.370  364.804   16.701   51.854   1.1036   52.082   1.1939 -0.2283058 1.625829 
1 1 1    6    6   43 o   88.524   1.1751  1054.10   27.939  1065.47   37.264  1039.52   42.223   88.946   1.5598   87.817   1.7901 1.129219 2.374337 
1 1 1    6    6   44 o   51.596   0.7986  357.809   11.068  353.763   16.394  361.198   15.003   51.277   1.1903   51.822   1.0779 -0.5447235 1.605834 
1 1 1    6    6   45 o   18.010   1.3561   43.920   6.5118   41.526   9.8251   45.796   8.6960   17.397   2.1483   18.338   1.7883 -0.9407310 2.795186 
1 1 1    6    6   46 o   24.154   1.0417   78.484   6.7578   65.554   9.3268   92.774   9.8051   21.994   1.5896   26.206   1.3981 -4.212719 2.116893 
1 1 1    6    6   47 o   45.661   0.9023  280.375   11.066  290.113   14.239  265.525   17.584   46.428   1.1419   44.385   1.4750 2.043056 1.865339 
1 1 1    6    6   48 o   28.827   1.0000  111.798   7.7427  119.625   11.122  104.438   10.785   29.794   1.3898   27.797   1.4496 1.997051 2.008248 
1 1 1    6    6   49 o   45.331   0.8284  276.333   10.086  278.887   14.264  273.780   14.262   45.510   1.1670   45.090   1.1776 0.4197197 1.657884 
1 1 1    6    6   50 f   43.895   0.9604  259.279   11.323  254.201   15.934  264.459   16.093   43.419   1.3663   44.288   1.3528 -0.8692093 1.922785 
1 1 1    6    6   51 o   20.880   1.3703   59.062   7.6420   59.857   10.159   58.026   11.598   20.951   1.8236   20.568   2.1303 0.3828812 2.804193 
1 1 1    6    6   52 o   21.026   1.3680   59.907   7.6834   52.956   11.632   65.287   10.234   19.606   2.2496   21.893   1.7551 -2.286427 2.853231 
1 1 1    6    6   53 o   20.568   1.5758   57.519   8.6390   63.607   12.454   51.872   11.994   21.519   2.1850   19.374   2.3533 2.145180 3.211262 
1 1 1    6    6   54 o   17.629   1.5718   42.344   7.3641   52.440   10.481   32.500   10.349   19.550   2.0254   15.208   2.6288 4.341897 3.318577 
1 1 1    6    6   55 o   61.477   0.9052  508.738   14.946  534.456   22.413  488.142   20.057   62.929   1.3261   60.159   1.2413 2.770035 1.816379 
1 1 1    6    6   56 o   36.038   0.9858  174.927   9.5419  173.775   13.422  176.104   13.568   35.867   1.3933   36.105   1.3991 -0.2386360 1.974510 
1 1 1    6    6   57 o   53.500   0.9275  385.510   13.328  403.054   18.609  367.034   19.097   54.634   1.2682   52.113   1.3644 2.520798 1.862704 
1 1 1    6    6   58 o   16.083   1.9676   35.775   8.3222   47.391   12.757   27.168   10.981   18.352   2.6661   13.716   3.0585 4.635606 4.057392 
1 1 1    6    6   59 o   20.826   1.4526   59.112   8.0742   64.756   11.354   53.338   11.484   21.673   1.9720   19.582   2.2229 2.091415 2.971554 
1 1 1    6    6   60 o   12.566   2.6766   22.831   8.7575   29.580   12.904   17.068   11.924   14.112   3.4363   10.956   3.5488 3.156609 4.939872 
1 1 1    6    6   61 o   21.218   1.8630   62.298   10.509   54.636   13.230   75.399   17.300   19.596   2.5761   22.924   2.8729 -3.327682 3.858751 
1 1 1    6    6   62 o   22.812   1.7255   71.885   10.494   64.685   15.764   77.615   14.064   21.135   2.8495   23.483   2.2575 -2.347977 3.635378 
1 1 1    7    0  -63 o   8.5407   3.9976   16.178   10.254   16.178   10.254   16.178   10.254   8.5407   3.9976   8.5407   3.9976 0.000000 0.000000 
1 1 1    7    0  -62 o   4.9790   3.2762  -0.3883   11.132  -0.3883   11.132  -0.3883   11.132   4.9790   3.2762   4.9790   3.2762 -0.000000 0.000000 
1 1 1    7    0  -61 o   4.8262   3.2362  -3.0024   11.754  -3.0024   11.754  -3.0024   11.754   4.8262   3.2362   4.8262   3.2362 0.000000 0.000000 
1 1 1    7    0  -60 o   9.1429   4.3762   17.970   12.358   17.970   12.358   17.970   12.358   9.1429   4.3762   9.1429   4.3762 0.000000 0.000000 
1 1 1    7    0  -59 o   15.648   2.9065   37.043   10.978   37.043   10.978   37.043   10.978   15.648   2.9065   15.648   2.9065 0.000000 0.000000 
1 1 1    7    0  -58 o   39.469   1.3896  211.400   14.689  211.400   14.689  211.400   14.689   39.469   1.3896   39.469   1.3896 0.000000 0.000000 
1 1 1    7    0  -57 o   84.246   1.3277  959.012   30.026  959.012   30.026  959.012   30.026   84.246   1.3277   84.246   1.3277 -0.000000 0.000000 
1 1 1    7    0  -56 f   6.2881   3.6483   6.9461   10.082   6.9461   10.082   6.9461   10.082   6.2881   3.6483   6.2881   3.6483 -0.000000 0.000000 
1 1 1    7    0  -55 o   40.652   1.3005  223.624   14.167  223.624   14.167  223.624   14.167   40.652   1.3005   40.652   1.3005 -0.000000 0.000000 
1 1 1    7    0  -54 f   4.2226   2.8264  -2.9760   8.8966  -2.9760   8.8966  -2.9760   8.8966   4.2226   2.8264   4.2226   2.8264 -0.000000 0.000000 
1 1 1    7    0  -53 o   40.565   1.2870  222.513   13.990  222.513   13.990  222.513   13.990   40.565   1.2870   40.565   1.2870 0.000000 0.000000 
1 1 1    7    0  -52 o   4.1117   2.7896  -4.6600   9.2414  -4.6600   9.2414  -4.6600   9.2414   4.1117   2.7896   4.1117   2.7896 -0.000000 0.000000 
1 1 1    7    0  -51 o   45.253   1.1975  276.319   14.532  276.319   14.532  276.319   14.532   45.253   1.1975   45.253   1.1975 -0.000000 0.000000 
1 1 1    7    0  -50 o   3.5023   2.4854 -12.9920   9.8758 -12.9920   9.8758 -12.9920   9.8758   3.5023   2.4854   3.5023   2.4854 0.000000 0.000000 
1 1 1    7    0  -49 o   43.617   1.5314  257.298   17.890  257.298   17.890  257.298   17.890   43.617   1.5314   43.617   1.5314 -0.000000 0.000000 
1 1 1    7    0  -48 o   73.146   1.1885  720.439   23.336  720.439   23.336  720.439   23.336   73.146   1.1885   73.146   1.1885 0.000000 0.000000 
1 1 1    7    0  -47 o   33.112   1.4486  148.455   12.827  148.455   12.827  148.455   12.827   33.112   1.4486   33.112   1.4486 -0.000000 0.000000 
1 1 1    7    0  -46 o   30.157   1.2727  122.995   10.267  122.995   10.267  122.995   10.267   30.157   1.2727   30.157   1.2727 -0.000000 0.000000 
1 1 1    7    0  -45 o   3.5263   2.4061  -4.2724   7.0796  -4.2724   7.0796  -4.2724   7.0796   3.5263   2.4061   3.5263   2.4061 0.000000 0.000000 
1 1 1    7    0  -44 o   28.024   1.2693  106.255   9.5095  106.255   9.5095  106.255   9.5095   28.024   1.2693   28.024   1.2693 0.000000 0.000000 
1 1 1    7    0  -43 o   69.949   1.1387  658.177   21.380  658.177   21.380  658.177   21.380   69.949   1.1387   69.949   1.1387 0.000000 0.000000 
1 1 1    7    0  -42 o   28.336   1.8970  109.491   14.289  109.491   14.289  109.491   14.289   28.336   1.8970   28.336   1.8970 -0.000000 0.000000 
1 1 1    7    0  -41 o   48.821   1.1936  320.896   15.631  320.896   15.631  320.896   15.631   48.821   1.1936   48.821   1.1936 -0.000000 0.000000 
1 1 1    7    0  -40 o   42.289   1.0715  240.749   12.153  240.749   12.153  240.749   12.153   42.289   1.0715   42.289   1.0715 0.000000 0.000000 
1 1 1    7    0  -39 o   63.604   1.1972  544.167   20.435  544.167   20.435  544.167   20.435   63.604   1.1972   63.604   1.1972 -0.000000 0.000000 
1 1 1    7    0  -38 o   35.276   1.7780  168.568   16.749  168.568   16.749  168.568   16.749   35.276   1.7780   35.276   1.7780 -0.000000 0.000000 
1 1 1    7    0  -37 o   44.950   1.1636  271.996   14.027  271.996   14.027  271.996   14.027   44.950   1.1636   44.950   1.1636 -0.000000 0.000000 
1 1 1    7    0  -36 o   36.403   1.4104  178.855   13.743  178.855   13.743  178.855   13.743   36.403   1.4104   36.403   1.4104 -0.000000 0.000000 
1 1 1    7    0  -35 o   75.186   1.5554  760.519   31.380  760.519   31.380  760.519   31.380   75.186   1.5554   75.186   1.5554 -0.000000 0.000000 
1 1 1    7    0  -34 o  177.941   2.5180  4259.41  120.290  4259.41  120.290  4259.41  120.290  177.941   2.5180  177.941   2.5180 0.000000 0.000000 
1 1 1    7    0  -33 o  138.795   2.0488  2590.34   76.341  2590.34   76.341  2590.34   76.341  138.795   2.0488  138.795   2.0488 -0.000000 0.000000 
1 1 1    7    0  -32 o  184.813   2.1193  4591.30  105.171  4591.30  105.171  4591.30  105.171  184.813   2.1193  184.813   2.1193 -0.000000 0.000000 
1 1 1    7    0  -31 o  171.002   1.9799  3930.22   90.908  3930.22   90.908  3930.22   90.908  171.002   1.9799  171.002   1.9799 0.000000 0.000000 
1 1 1    7    0  -30 o  335.438   4.5255 15146.72  407.561 15146.72  407.561 15146.72  407.561  335.438   4.5255  335.438   4.5255 -0.000000 0.000000 
1 1 1    7    0  -29 o  276.774   3.3644 10301.24  250.026 10301.24  250.026 10301.24  250.026  276.774   3.3644  276.774   3.3644 0.000000 0.000000 
1 1 1    7    0  -28 o   79.568   1.9492  851.998   41.601  851.998   41.601  851.998   41.601   79.568   1.9492   79.568   1.9492 -0.000000 0.000000 
1 1 1    7    0  -27 o  133.608   2.2771  2400.19   81.663  2400.19   81.663  2400.19   81.663  133.608   2.2771  133.608   2.2771 -0.000000 0.000000 
1 1 1    7    0  -26 o   45.622   1.4372  280.385   17.572  280.385   17.572  280.385   17.572   45.622   1.4372   45.622   1.4372 0.000000 0.000000 
1 1 1    7    0  -25 o  205.317   2.3214  5665.10  127.982  5665.10  127.982  5665.10  127.982  205.317   2.3214  205.317   2.3214 0.000000 0.000000 
1 1 1    7    0  -24 o   99.477   2.2325  1331.30   59.582  1331.30   59.582  1331.30   59.582   99.477   2.2325   99.477   2.2325 0.000000 0.000000 
1 1 1    7    0  -23 o  224.674   2.5187  6783.71  151.949  6783.71  151.949  6783.71  151.949  224.674   2.5187  224.674   2.5187 0.000000 0.000000 
1 1 1    7    0  -22 o  146.691   2.4468  2893.02   96.345  2893.02   96.345  2893.02   96.345  146.691   2.4468  146.691   2.4468 0.000000 0.000000 
1 1 1    7    0  -21 o  284.262   3.1422 10859.90  239.840 10859.90  239.840 10859.90  239.840  284.262   3.1422  284.262   3.1422 -0.000000 0.000000 
1 1 1    7    0  -20 o  531.520   5.7837 37994.86  825.475 37994.86  825.475 37994.86  825.475  531.520   5.7837  531.520   5.7837 0.000000 0.000000 
1 1 1    7    0  -19 o   27.565   1.3212  102.749   9.7304  102.749   9.7304  102.749   9.7304   27.565   1.3212   27.565   1.3212 0.000000 0.000000 
1 1 1    7    0  -18 o  187.316   2.1283  4714.38  107.048  4714.38  107.048  4714.38  107.048  187.316   2.1283  187.316   2.1283 0.000000 0.000000 
1 1 1    7    0  -17 o  165.753   1.9080  3691.37   84.920  3691.37   84.920  3691.37   84.920  165.753   1.9080  165.753   1.9080 -0.000000 0.000000 
1 1 1    7    0  -16 o   30.475   1.2327  125.340   10.053  125.340   10.053  125.340   10.053   30.475   1.2327   30.475   1.2327 0.000000 0.000000 
1 1 1    7    0  -15 o  924.195   10.013 114897.40  2484.97 114897.40  2484.97 114897.40  2484.97  924.195   10.013  924.195   10.013 -0.000000 0.000000 
1 1 1    7    0  -14 o   34.161   1.3664  157.472   12.491  157.472   12.491  157.472   12.491   34.161   1.3664   34.161   1.3664 -0.000000 0.000000 
1 1 1    7    0  -13 o  356.635   4.7834 17094.49  458.012 17094.49  458.012 17094.49  458.012  356.635   4.7834  356.635   4.7834 -0.000000 0.000000 
1 1 1    7    0  -12 o  653.944   7.0956 57482.76  1245.97 57482.76  1245.97 57482.76  1245.97  653.944   7.0956  653.944   7.0956 -0.000000 0.000000 
1 1 1    7    0  -11 o  467.617   5.5795 29388.45  700.542 29388.45  700.542 29388.45  700.542  467.617   5.5795  467.617   5.5795 -0.000000 0.000000 
1 1 1    7    0  -10 o   29.445   1.5637  117.423   12.287  117.423   12.287  117.423   12.287   29.445   1.5637   29.445   1.5637 0.000000 0.000000 
1 1 1    7    0   -9 o  158.485   2.2432  3375.39   95.444  3375.39   95.444  3375.39   95.444  158.485   2.2432  158.485   2.2432 0.000000 0.000000 
1 1 1    7    0   -8 o  374.054   5.0112 18806.02  503.258 18806.02  503.258 18806.02  503.258  374.054   5.0112  374.054   5.0112 -0.000000 0.000000 
1 1 1    7    0   -7 o  381.305   5.1055 19542.78  522.666 19542.78  522.666 19542.78  522.666  381.305   5.1055  381.305   5.1055 0.000000 0.000000 
1 1 1    7    0   -6 o  110.365   2.3573  1638.14   69.806  1638.14   69.806  1638.14   69.806  110.365   2.3573  110.365   2.3573 -0.000000 0.000000 
1 1 1    7    0   -5 o  512.924   6.8366 35374.64  941.477 35374.64  941.477 35374.64  941.477  512.924   6.8366  512.924   6.8366 -0.000000 0.000000 
1 1 1    7    0   -4 f  539.107   8.2956 39099.53  1200.56 39099.53  1200.56 39099.53  1200.56  539.107   8.2956  539.107   8.2956 0.000000 0.000000 
1 1 1    7    0   -3 o  363.518   3.9751 17757.32  388.020 17757.32  388.020 17757.32  388.020  363.518   3.9751  363.518   3.9751 -0.000000 0.000000 
1 1 1    7    0   -2 o   47.470   0.9180  302.962   11.695  302.962   11.695  302.962   11.695   47.470   0.9180   47.470   0.9180 -0.000000 0.000000 
1 1 1    7    0   -1 o  378.971   4.5367 19302.26  461.632 19302.26  461.632 19302.26  461.632  378.971   4.5367  378.971   4.5367 -0.000000 0.000000 
1 1 1    7    0    0 o  128.992   1.6733  2235.78   57.953  2235.78   57.953  2235.78   57.953  128.992   1.6733  128.992   1.6733 0.000000 0.000000 
1 1 1    7    0    1 o  110.530   1.3483  1641.46   40.015  1641.46   40.015  1641.46   40.015  110.530   1.3483  110.530   1.3483 0.000000 0.000000 
1 1 1    7    0    2 o  299.106   3.2890 12021.10  264.160 12021.10  264.160 12021.10  264.160  299.106   3.2890  299.106   3.2890 0.000000 0.000000 
1 1 1    7    0    3 o   83.410   1.2067  934.939   27.021  934.939   27.021  934.939   27.021   83.410   1.2067   83.410   1.2067 0.000000 0.000000 
1 1 1    7    0    4 f  140.186   2.0055  2640.96   75.476  2640.96   75.476  2640.96   75.476  140.186   2.0055  140.186   2.0055 -0.000000 0.000000 
1 1 1    7    0    5 o   13.150   1.1508   23.752   3.9929   23.752   3.9929   23.752   3.9929   13.150   1.1508   13.150   1.1508 -0.000000 0.000000 
1 1 1    7    0    6 o  147.554   1.8766  2925.46   74.345  2925.46   74.345  2925.46   74.345  147.554   1.8766  147.554   1.8766 -0.000000 0.000000 
1 1 1    7    0    7 o  349.017   4.1872 16369.75  392.389 16369.75  392.389 16369.75  392.389  349.017   4.1872  349.017   4.1872 -0.000000 0.000000 
1 1 1    7    0    8 o  180.595   2.2455  4382.28  108.885  4382.28  108.885  4382.28  108.885  180.595   2.2455  180.595   2.2455 -0.000000 0.000000 
1 1 1    7    0    9 o  321.421   3.5287 13881.25  304.551 13881.25  304.551 13881.25  304.551  321.421   3.5287  321.421   3.5287 -0.000000 0.000000 
1 1 1    7    0   10 o  450.844   4.9122 27314.02  594.676 27314.02  594.676 27314.02  594.676  450.844   4.9122  450.844   4.9122 -0.000000 0.000000 
1 1 1    7    0   11 o  102.253   1.5738  1405.18   43.200  1405.18   43.200  1405.18   43.200  102.253   1.5738  102.253   1.5738 -0.000000 0.000000 
1 1 1    7    0   12 o  198.967   3.8908  5323.49  207.750  5323.49  207.750  5323.49  207.750  198.967   3.8908  198.967   3.8908 -0.000000 0.000000 
1 1 1    7    0   13 o  555.370   7.3967 41469.33  1102.90 41469.33  1102.90 41469.33  1102.90  555.370   7.3967  555.370   7.3967 0.000000 0.000000 
1 1 1    7    0   14 o  340.730   3.7368 15599.59  341.891 15599.59  341.891 15599.59  341.891  340.730   3.7368  340.730   3.7368 0.000000 0.000000 
1 1 1    7    0   15 o  107.042   2.3033  1540.99   66.152  1540.99   66.152  1540.99   66.152  107.042   2.3033  107.042   2.3033 -0.000000 0.000000 
1 1 1    7    0   16 o  1144.66   13.606 176516.20  4181.87 176516.20  4181.87 176516.20  4181.87  1144.66   13.606  1144.66   13.606 0.000000 0.000000 
1 1 1    7    0   17 o  464.900   5.0656 29049.05  632.365 29049.05  632.365 29049.05  632.365  464.900   5.0656  464.900   5.0656 0.000000 0.000000 
1 1 1    7    0   18 o   38.019   1.1721  194.678   11.943  194.678   11.943  194.678   11.943   38.019   1.1721   38.019   1.1721 -0.000000 0.000000 
1 1 1    7    0   19 o  258.465   2.8701  8976.78  199.194  8976.78  199.194  8976.78  199.194  258.465   2.8701  258.465   2.8701 -0.000000 0.000000 
1 1 1    7    0   20 o  278.733   5.3560 10454.92  400.647 10454.92  400.647 10454.92  400.647  278.733   5.3560  278.733   5.3560 0.000000 0.000000 
1 1 1    7    0   21 o  120.056   2.0880  1937.76   67.284  1937.76   67.284  1937.76   67.284  120.056   2.0880  120.056   2.0880 -0.000000 0.000000 
1 1 1    7    0   22 o  156.270   2.5828  3283.23  108.341  3283.23  108.341  3283.23  108.341  156.270   2.5828  156.270   2.5828 -0.000000 0.000000 
1 1 1    7    0   23 o   54.701   1.0740  402.326   15.765  402.326   15.765  402.326   15.765   54.701   1.0740   54.701   1.0740 0.000000 0.000000 
1 1 1    7    0   24 o  270.664   3.0025  9846.63  218.216  9846.63  218.216  9846.63  218.216  270.664   3.0025  270.664   3.0025 0.000000 0.000000 
1 1 1    7    0   25 o  176.655   2.0279  4193.56   96.192  4193.56   96.192  4193.56   96.192  176.655   2.0279  176.655   2.0279 -0.000000 0.000000 
1 1 1    7    0   26 o   98.987   1.4055  1316.84   37.352  1316.84   37.352  1316.84   37.352   98.987   1.4055   98.987   1.4055 -0.000000 0.000000 
1 1 1    7    0   27 o  283.471   3.1390 10802.12  238.931 10802.12  238.931 10802.12  238.931  283.471   3.1390  283.471   3.1390 -0.000000 0.000000 
1 1 1    7    0   28 o  111.407   1.7088  1668.32   51.105  1668.32   51.105  1668.32   51.105  111.407   1.7088  111.407   1.7088 0.000000 0.000000 
1 1 1    7    0   29 o   19.210   1.4450   50.404   7.3589   50.404   7.3589   50.404   7.3589   19.210   1.4450   19.210   1.4450 0.000000 0.000000 
1 1 1    7    0   30 o   93.860   1.7594  1184.68   44.319  1184.68   44.319  1184.68   44.319   93.860   1.7594   93.860   1.7594 -0.000000 0.000000 
1 1 1    7    0   31 o  112.474   2.4942  1702.48   75.265  1702.48   75.265  1702.48   75.265  112.474   2.4942  112.474   2.4942 0.000000 0.000000 
1 1 1    7    0   32 o   79.871   1.6241  858.056   34.808  858.056   34.808  858.056   34.808   79.871   1.6241   79.871   1.6241 -0.000000 0.000000 
1 1 1    7    0   33 o   93.959   1.5358  1186.96   38.735  1186.96   38.735  1186.96   38.735   93.959   1.5358   93.959   1.5358 0.000000 0.000000 
1 1 1    7    0   34 o  156.802   1.8386  3305.20   77.408  3305.20   77.408  3305.20   77.408  156.802   1.8386  156.802   1.8386 0.000000 0.000000 
1 1 1    7    0   35 o   11.121   2.6823   19.257   6.9464   19.257   6.9464   19.257   6.9464   11.121   2.6823   11.121   2.6823 -0.000000 0.000000 
1 1 1    7    0   36 o   61.405   1.8626  508.208   30.656  508.208   30.656  508.208   30.656   61.405   1.8626   61.405   1.8626 -0.000000 0.000000 
1 1 1    7    0   37 o  102.408   1.4748  1410.19   40.546  1410.19   40.546  1410.19   40.546  102.408   1.4748  102.408   1.4748 -0.000000 0.000000 
1 1 1    7    0   38 o   42.275   1.0696  240.563   12.128  240.563   12.128  240.563   12.128   42.275   1.0696   42.275   1.0696 -0.000000 0.000000 
1 1 1    7    0   39 o   20.503   1.5085   57.415   8.2040   57.415   8.2040   57.415   8.2040   20.503   1.5085   20.503   1.5085 -0.000000 0.000000 
1 1 1    7    0   40 o   51.306   1.4407  354.666   19.818  354.666   19.818  354.666   19.818   51.306   1.4407   51.306   1.4407 -0.000000 0.000000 
1 1 1    7    0   41 o   42.593   1.1421  244.318   13.045  244.318   13.045  244.318   13.045   42.593   1.1421   42.593   1.1421 -0.000000 0.000000 
1 1 1    7    0   42 o  174.934   2.0357  4121.05   95.618  4121.05   95.618  4121.05   95.618  174.934   2.0357  174.934   2.0357 -0.000000 0.000000 
1 1 1    7    0   43 o   50.020   1.1028  336.772   14.800  336.772   14.800  336.772   14.800   50.020   1.1028   50.020   1.1028 -0.000000 0.000000 
1 1 1    7    0   44 o   49.077   1.0797  324.225   14.217  324.225   14.217  324.225   14.217   49.077   1.0797   49.077   1.0797 -0.000000 0.000000 
1 1 1    7    0   45 o   7.2992   3.9784   10.229   11.060   10.229   11.060   10.229   11.060   7.2992   3.9784   7.2992   3.9784 -0.000000 0.000000 
1 1 1    7    0   46 o   63.611   1.1245  544.652   19.199  544.652   19.199  544.652   19.199   63.611   1.1245   63.611   1.1245 -0.000000 0.000000 
1 1 1    7    0   47 o   67.766   1.2911  618.628   23.480  618.628   23.480  618.628   23.480   67.766   1.2911   67.766   1.2911 0.000000 0.000000 
1 1 1    7    0   48 o   10.515   3.4748   19.195   8.7216   19.195   8.7216   19.195   8.7216   10.515   3.4748   10.515   3.4748 0.000000 0.000000 
1 1 1    7    0   49 o   60.247   1.2516  489.201   20.233  489.201   20.233  489.201   20.233   60.247   1.2516   60.247   1.2516 0.000000 0.000000 
1 1 1    7    0   50 o   10.934   3.4314   20.396   8.8468   20.396   8.8468   20.396   8.8468   10.934   3.4314   10.934   3.4314 -0.000000 0.000000 
1 1 1    7    0   51 o   33.301   1.3152  150.099   11.722  150.099   11.722  150.099   11.722   33.301   1.3152   33.301   1.3152 0.000000 0.000000 
1 1 1    7    0   52 o   64.873   1.1926  567.455   20.765  567.455   20.765  567.455   20.765   64.873   1.1926   64.873   1.1926 -0.000000 0.000000 
1 1 1    7    0   53 o   69.304   1.2226  647.891   22.742  647.891   22.742  647.891   22.742   69.304   1.2226   69.304   1.2226 -0.000000 0.000000 
1 1 1    7    0   54 f   4.7901   3.1763  -2.4191   10.793  -2.4191   10.793  -2.4191   10.793   4.7901   3.1763   4.7901   3.1763 -0.000000 0.000000 
1 1 1    7    0   55 o   18.755   2.5836   50.618   12.312   50.618   12.312   50.618   12.312   18.755   2.5836   18.755   2.5836 0.000000 0.000000 
1 1 1    7    0   56 f   11.036   3.8554   21.959   10.342   21.959   10.342   21.959   10.342   11.036   3.8554   11.036   3.8554 -0.000000 0.000000 
1 1 1    7    0   57 o   47.006   1.2842  298.900   16.186  298.900   16.186  298.900   16.186   47.006   1.2842   47.006   1.2842 0.000000 0.000000 
1 1 1    7    0   58 o   15.744   3.2060   38.086   11.995   38.086   11.995   38.086   11.995   15.744   3.2060   15.744   3.2060 0.000000 0.000000 
1 1 1    7    0   59 o   27.354   1.6605  102.745   12.097  102.745   12.097  102.745   12.097   27.354   1.6605   27.354   1.6605 0.000000 0.000000 
1 1 1    7    0   60 o   26.522   1.7634   97.225   12.434   97.225   12.434   97.225   12.434   26.522   1.7634   26.522   1.7634 -0.000000 0.000000 
1 1 1    7    0   61 o   21.146   2.0441   63.261   11.361   63.261   11.361   63.261   11.361   21.146   2.0441   21.146   2.0441 0.000000 0.000000 
1 1 1    7    0   62 o   16.565   3.0663   42.613   12.268   42.613   12.268   42.613   12.268   16.565   3.0663   16.565   3.0663 -0.000000 0.000000 
1 1 1    7    0   63 o   9.1564   4.7907   20.531   15.481   20.531   15.481   20.531   15.481   9.1564   4.7907   9.1564   4.7907 -0.000000 0.000000 
1 1 1    7    1  -63 o   24.113   1.5415   79.779   9.9315   83.499   14.168   76.186   13.926   24.416   2.1835   23.282   2.2553 1.133728 3.139080 
1 1 1    7    1  -62 o   26.685   1.2439   96.581   8.9153  100.847   13.450   93.238   11.907   27.044   1.8631   26.053   1.7110 0.9912281 2.529544 
1 1 1    7    1  -61 o   6.5689   2.6810   2.5776   7.4776  -4.5043   11.103   8.4560   10.116   6.6143   2.9768   8.6426   3.2335 -2.028315 4.395082 
1 1 1    7    1  -60 o   18.287   1.6739   45.848   8.1302   51.837   11.100   38.914   11.942   19.325   2.1764   16.528   2.7894 2.796816 3.538009 
1 1 1    7    1  -59 o   16.736   1.7969   38.496   7.9508   41.919   11.395   35.249   11.099   17.290   2.5285   15.775   2.7176 1.514817 3.711983 
1 1 1    7    1  -58 o   14.305   2.0821   28.425   7.7652   23.101   10.406   35.113   11.664   12.676   3.0855   15.735   2.8656 -3.058295 4.210914 
1 1 1    7    1  -57 o   44.591   0.9731  267.760   11.655  259.837   17.531  274.035   15.602   43.847   1.4886   45.065   1.2890 -1.217735 1.969134 
1 1 1    7    1  -56 o   32.192   1.0382  139.575   8.9769  132.190   12.760  146.812   12.631   31.277   1.5190   32.974   1.4262 -1.696537 2.083578 
1 1 1    7    1  -55 o   72.320   0.8820  703.830   17.133  702.781   24.363  704.856   24.097   72.191   1.2565   72.301   1.2409 -0.1101532 1.765945 
1 1 1    7    1  -54 o   12.315   2.2464   21.254   7.1570   26.002   10.153   16.564   10.090   13.525   2.8830   10.874   3.2240 2.651158 4.325006 
1 1 1    7    1  -53 o   48.998   0.8534  322.993   11.231  334.286   15.999  312.021   15.770   49.804   1.1960   48.114   1.2203 1.690651 1.708666 
1 1 1    7    1  -52 o   4.8935   2.2190  -3.6202   6.3058  -2.6553   8.8635  -4.6091   8.9730   6.1598   2.7228   5.9020   2.6643 0.2577891 3.809471 
1 1 1    7    1  -51 o   56.667   1.0007  432.126   15.231  458.678   21.992  407.654   21.114   58.325   1.4039   54.981   1.4297 3.343788 2.003747 
1 1 1    7    1  -50 o   16.523   1.4882   37.106   6.5333   41.117   9.2782   33.162   9.2013   17.316   2.0336   15.479   2.2815 1.836680 3.056313 
1 1 1    7    1  -49 o   13.953   2.2394   27.011   8.1087   19.795   12.634   32.066   10.574   11.960   3.6215   15.140   2.6992 -3.180075 4.516756 
1 1 1    7    1  -48 o   63.574   0.8595  543.405   14.676  529.930   19.613  560.548   22.122   62.751   1.1637   64.524   1.2764 -1.773518 1.727270 
1 1 1    7    1  -47 o   44.073   0.8059  261.108   9.5403  248.777   13.308  274.143   13.683   42.998   1.1523   45.139   1.1286 -2.140697 1.612975 
1 1 1    7    1  -46 o   36.755   0.8200  181.589   8.0947  184.672   11.442  178.499   11.454   37.050   1.1498   36.424   1.1708 0.6256676 1.640931 
1 1 1    7    1  -45 o   41.388   0.7947  230.219   8.8343  235.560   12.640  225.119   12.352   41.849   1.1245   40.911   1.1241 0.9379807 1.590006 
1 1 1    7    1  -44 o   21.863   1.0482   64.269   6.1552   65.837   8.7176   62.710   8.6919   22.067   1.4794   21.531   1.5126 0.5360451 2.115834 
1 1 1    7    1  -43 o   56.589   0.8362  430.329   12.710  441.337   18.152  419.739   17.804   57.290   1.1796   55.871   1.1864 1.419846 1.673039 
1 1 1    7    1  -42 o   52.620   0.9497  372.109   13.422  376.841   20.051  368.267   18.067   52.931   1.4103   52.332   1.2854 0.5987892 1.908204 
1 1 1    7    1  -41 o  138.581   1.2369  2581.83   46.041  2598.67   62.750  2562.19   67.763  138.971   1.6811  137.968   1.8286 1.003220 2.483953 
1 1 1    7    1  -40 o   16.730   1.1908   37.811   5.3157   38.859   7.4423   36.718   7.5952   16.915   1.6594   16.427   1.7482 0.4879436 2.410413 
1 1 1    7    1  -39 o   49.425   0.9248  328.219   12.277  331.070   15.407  323.259   20.320   49.633   1.1558   49.029   1.5430 0.6033134 1.927894 
1 1 1    7    1  -38 o  132.094   1.5020  2345.98   53.288  2298.83   80.603  2382.59   71.025  130.660   2.2968  133.064   1.9873 -2.403702 3.037176 
1 1 1    7    1  -37 o  108.107   1.0815  1570.37   31.404  1583.47   44.555  1557.44   44.270  108.529   1.5285  107.633   1.5313 0.8959656 2.163618 
1 1 1    7    1  -36 o  129.846   1.2283  2265.54   42.838  2265.83   60.496  2265.25   60.667  129.816   1.7350  129.799   1.7402 0.1710510E-01 2.457334 
1 1 1    7    1  -35 o  102.997   1.0377  1425.17   28.707  1409.24   40.577  1441.12   40.618  102.401   1.4753  103.554   1.4604 -1.152420 2.075847 
1 1 1    7    1  -34 o   28.083   0.8107  105.929   6.1145  108.785   8.8563  103.327   8.4523   28.456   1.1587   27.733   1.1347 0.7227173 1.621805 
1 1 1    7    1  -33 o  103.133   1.3408  1429.04   37.140  1469.72   46.476  1357.15   61.779  104.579   1.6546  100.465   2.2895 4.114143 2.824759 
1 1 1    7    1  -32 o  132.456   1.3852  2357.06   49.279  2337.94   69.195  2376.74   70.199  131.892   1.9533  132.981   1.9654 -1.089447 2.770933 
1 1 1    7    1  -31 f  232.066   1.8399  7236.75  114.683  7261.80  162.596  7211.95  161.780  232.399   2.6049  231.600   2.6007 0.7986450 3.680906 
1 1 1    7    1  -30 o  169.799   1.6022  3873.51   73.071  3838.47   89.162  3945.18  127.518  169.013   1.9641  171.296   2.7716 -2.283127 3.396990 
1 1 1    7    1  -29 o  232.056   2.2515  7236.76  140.334  7104.31  195.979  7376.14  201.043  229.845   3.1746  234.199   3.1960 -4.353851 4.504716 
1 1 1    7    1  -28 o  167.700   1.5873  3778.01   71.498  3748.93  106.887  3801.55   96.185  167.022   2.3826  168.202   2.1290 -1.179688 3.195288 
1 1 1    7    1  -27 o   19.942   1.0806   53.570   5.7661   63.467   7.6386   40.461   8.7914   21.697   1.3170   17.246   1.9310 4.450916 2.337358 
1 1 1    7    1  -26 o  109.022   1.0138  1596.39   29.687  1620.77   44.342  1576.59   39.966  109.844   1.5030  108.339   1.3735 1.505135 2.036004 
1 1 1    7    1  -25 o  320.079   2.4904 13767.03  214.098 13624.77  300.801 13913.09  304.798  318.325   3.5182  321.674   3.5278 -3.349304 4.982255 
1 1 1    7    1  -24 o  301.153   2.5727 12187.33  208.099 11907.88  323.990 12383.57  271.510  297.543   4.0541  303.504   3.3306 -5.961243 5.246765 
1 1 1    7    1  -23 o  161.902   2.0573  3521.55   89.462  3470.00  114.599  3601.97  143.148  160.692   2.6552  163.693   3.2559 -3.000626 4.201263 
1 1 1    7    1  -22 o   38.200   0.8972  195.982   9.2058  206.860   13.828  187.322   12.337   39.244   1.3119   37.345   1.2300 1.898922 1.798267 
1 1 1    7    1  -21 o  129.408   1.2031  2249.24   41.817  2228.48   58.819  2270.45   59.462  128.803   1.7002  130.010   1.7028 -1.207184 2.406307 
1 1 1    7    1  -20 o  125.613   1.5138  2119.30   51.072  2068.77   71.207  2172.83   73.293  124.097   2.1363  127.179   2.1456 -3.082672 3.027809 
1 1 1    7    1  -19 o  360.203   2.7894 17431.70  269.868 17202.42  378.300 17669.28  385.093  357.750   3.9370  362.571   3.9544 -4.820679 5.580060 
1 1 1    7    1  -18 o  273.371   2.2337 10038.44  164.013 10061.26  243.580 10019.51  221.841  273.645   3.3141  273.088   3.0245 0.5570068 4.486694 
1 1 1    7    1  -17 o  233.279   2.2550  7309.62  141.288  7231.48  198.320  7390.16  201.338  232.007   3.1826  234.538   3.1961 -2.531296 4.510396 
1 1 1    7    1  -16 o  351.362   2.7210 16583.27  256.788 16424.27  360.857 16746.37  365.493  349.633   3.8426  353.044   3.8544 -3.411194 5.442642 
1 1 1    7    1  -15 o  297.587   2.3167 11894.73  185.172 11910.97  262.116 11878.54  261.631  297.769   3.2773  297.363   3.2757 0.4057007 4.633727 
1 1 1    7    1  -14 o  247.988   2.1335  8259.86  142.110  8278.25  183.767  8232.50  224.139  248.255   2.7560  247.557   3.3709 0.6983948 4.354165 
1 1 1    7    1  -13 o  295.202   3.5630 11706.50  282.506 11872.75  368.309 11468.91  440.312  297.261   4.6130  292.128   5.6117 5.133575 7.264359 
1 1 1    7    1  -12 o  329.135   3.6111 14552.46  319.229 14276.44  546.324 14695.57  393.371  325.906   6.2412  330.726   4.4284 -4.820068 7.652618 
1 1 1    7    1  -11 o  345.292   2.9303 16014.56  271.758 16361.45  389.741 15686.31  379.127  348.978   4.1580  341.703   4.1309 7.275085 5.861176 
1 1 1    7    1  -10 o   65.773   0.7935  580.990   14.018  592.073   17.278  559.641   23.980   66.398   0.9688   64.553   1.3831 1.844856 1.688636 
1 1 1    7    1   -9 o  463.402   3.9117 28848.67  486.876 29211.75  694.158 28497.10  683.068  466.229   5.5433  460.492   5.5227 5.737122 7.824841 
1 1 1    7    1   -8 o  403.313   3.5970 21851.23  389.650 22051.52  526.424 21608.52  579.488  405.109   4.8381  400.994   5.3804 4.115265 7.235716 
1 1 1    7    1   -7 o  622.643   5.2362 52098.65  875.686 51026.88  1221.21 53233.01  1256.35  616.005   7.3810  629.174   7.4345 -13.16949 10.47615 
1 1 1    7    1   -6 o  778.580   5.9684 81481.97  1248.11 81797.51  1936.09 81257.59  1632.64  779.593   9.2462  777.256   7.8205 2.337524 12.11005 
1 1 1    7    1   -5 o  174.118   1.9817  4071.86   92.679  3923.44  157.157  4151.00  114.757  170.897   3.4238  175.797   2.4304 -4.899887 4.198705 
1 1 1    7    1   -4 o  134.823   1.4663  2441.29   53.099  2323.57   78.911  2538.69   71.781  131.527   2.2337  137.484   1.9439 -5.956161 2.961092 
1 1 1    7    1   -3 f  404.827   4.0887 22019.73  444.573 21903.06  676.602 22108.37  589.750  403.622   6.2412  405.566   5.4139 -1.944336 8.262155 
1 1 1    7    1   -2 o  387.869   3.4560 20210.89  360.043 20151.76  622.392 20240.63  441.394  387.164   5.9852  388.119   4.2342 -0.9558411 7.331485 
1 1 1    7    1   -1 o  443.944   3.9462 26480.42  470.544 26762.77  820.573 26342.09  574.359  446.092   6.8486  442.731   4.8300 3.361145 8.380482 
1 1 1    7    1    0 o  123.342   1.0873  2043.17   36.020  2022.52   53.108  2060.75   49.018  122.715   1.6113  123.870   1.4733 -1.155167 2.183316 
1 1 1    7    1    1 o   83.596   0.9011  938.524   20.233  913.132   30.015  959.671   27.392   82.456   1.3553   84.532   1.2064 -2.075600 1.814455 
1 1 1    7    1    2 o  175.109   1.4698  4118.22   69.128  4123.86  102.612  4113.53   93.540  175.223   2.1803  175.005   1.9900 0.2174835 2.951929 
1 1 1    7    1    3 f  498.500   4.0015 33388.30  535.768 34126.13  805.776 32803.61  717.300  503.835   5.9543  494.020   5.4059 9.814362 8.042234 
1 1 1    7    1    4 o  457.713   3.6782 28145.63  452.194 28246.03  672.230 28062.66  611.126  458.425   5.4596  456.966   4.9791 1.458649 7.389093 
1 1 1    7    1    5 o  553.418   4.2487 41150.59  631.538 41190.34  978.662 41122.23  826.704  553.499   6.5830  553.132   5.5645 0.3669434 8.619743 
1 1 1    7    1    6 o  583.436   4.9042 45741.81  768.524 45353.58  1080.68 46139.04  1093.14  580.778   6.9278  585.784   6.9478 -5.005493 9.811532 
1 1 1    7    1    7 o  113.079   1.1912  1717.27   36.178  1705.69   58.786  1724.33   45.900  112.694   1.9421  113.310   1.5082 -0.6160660 2.458962 
1 1 1    7    1    8 o  175.505   1.5477  4136.78   72.958  4133.63  133.044  4138.14   87.247  175.426   2.8236  175.531   1.8506 -0.1048584 3.376014 
1 1 1    7    1    9 o  404.667   3.6042 21998.00  391.740 21810.99  674.416 22093.22  481.250  402.827   6.2333  405.512   4.4185 -2.685181 7.640481 
1 1 1    7    1   10 o  459.260   3.8729 28334.84  477.739 27197.80  735.081 29166.31  628.597  449.842   6.0839  465.897   5.0233 -16.05475 7.889717 
1 1 1    7    1   11 o  353.365   2.7345 16771.79  259.533 16852.12  368.226 16692.50  365.855  354.181   3.8708  352.500   3.8642 1.681152 5.469438 
1 1 1    7    1   12 o  473.715   4.2083 30148.50  535.442 29452.71  707.532 31081.09  819.124  468.144   5.6270  480.866   6.3421 -12.72180 8.478515 
1 1 1    7    1   13 o  228.165   2.0792  6992.04  127.420  7283.31  175.128  6664.42  185.738  232.860   2.8001  222.742   3.1046 10.11763 4.180796 
1 1 1    7    1   14 o  108.938   1.0461  1593.79   30.610  1599.11   39.631  1585.93   48.191  109.118   1.3522  108.666   1.6511 0.4518433 2.134164 
1 1 1    7    1   15 o  449.650   3.6178 27162.19  436.931 26897.48  644.031 27387.92  594.737  447.359   5.3599  451.447   4.9049 -4.088684 7.265425 
1 1 1    7    1   16 o  248.522   2.0392  8295.61  136.117  8381.97  185.697  8195.32  200.106  249.799   2.7677  246.996   3.0163 2.802338 4.093707 
1 1 1    7    1   17 o  481.339   3.7042 31130.58  478.887 31365.87  680.670 30899.96  673.876  483.030   5.2465  479.431   5.2331 3.599609 7.410235 
1 1 1    7    1   18 o  342.797   3.2575 15788.60  299.928 15670.07  377.724 15990.87  493.415  341.458   4.1185  344.847   5.3271 -3.388428 6.733559 
1 1 1    7    1   19 o  128.728   1.4338  2225.64   49.572  2221.43   58.499  2236.37   93.368  128.603   1.6936  129.019   2.6943 -0.4161530 3.182393 
1 1 1    7    1   20 o  148.603   1.3466  2966.00   53.746  2924.80   75.411  3008.52   76.621  147.559   1.9027  149.656   1.9062 -2.096832 2.693304 
1 1 1    7    1   21 o  233.749   2.2629  7340.59  142.071  7145.60  228.035  7464.29  181.629  230.550   3.6825  235.683   2.8692 -5.132843 4.668340 
1 1 1    7    1   22 o  141.718   1.8451  2697.99   70.234  2650.23  110.045  2730.82   91.230  140.428   2.9176  142.564   2.3825 -2.136414 3.766796 
1 1 1    7    1   23 o  180.175   1.4570  4360.50   70.508  4325.08   99.223  4396.62  100.211  179.425   2.0589  180.902   2.0624 -1.477798 2.914230 
1 1 1    7    1   24 o  230.363   1.8227  7128.89  112.779  7123.93  159.472  7133.85  159.514  230.246   2.5787  230.406   2.5776 -0.1602478 3.646033 
1 1 1    7    1   25 o  140.168   1.1767  2638.87   44.301  2594.64   62.048  2684.86   63.272  138.979   1.6622  141.374   1.6663 -2.395493 2.353594 
1 1 1    7    1   26 o   83.639   1.2608  939.615   28.323  994.929   37.454  865.743   43.284   86.061   1.6203   80.274   2.0075 5.787323 2.579855 
1 1 1    7    1   27 o  304.415   2.9075 12456.69  237.726 12287.83  333.260 12631.64  339.211  302.204   4.1057  306.401   4.1218 -4.196472 5.817761 
1 1 1    7    1   28 o  199.217   1.7486  5331.80   93.562  5419.55  133.620  5247.39  131.050  200.812   2.4774  197.597   2.4692 3.214798 3.497792 
1 1 1    7    1   29 o  217.299   1.7306  6343.84  101.006  6319.40  142.446  6368.54  143.245  216.836   2.4458  217.677   2.4500 -0.8411255 3.461912 
1 1 1    7    1   30 o  166.036   1.4925  3703.54   66.558  3706.30  105.249  3701.70   85.920  166.056   2.3598  165.976   1.9273 0.7968140E-01 3.046829 
1 1 1    7    1   31 f  214.187   1.7093  6164.10   98.335  6188.93  139.418  6139.53  138.719  214.563   2.4192  213.705   2.4167 0.8578033 3.419528 
1 1 1    7    1   32 o   95.872   1.0490  1234.65   27.013  1213.66   35.983  1261.75   40.892   95.045   1.4095   96.905   1.5711 -1.860298 2.110686 
1 1 1    7    1   33 o  102.985   1.0981  1424.74   30.374  1424.99   40.802  1424.42   45.488  102.983   1.4751  102.955   1.6450 0.2712250E-01 2.209505 
1 1 1    7    1   34 o  151.673   1.2653  3090.80   51.547  3084.62   67.408  3099.50   79.992  151.497   1.6566  151.839   1.9614 -0.3418274 2.567389 
1 1 1    7    1   35 o   16.395   1.3106   36.350   5.7230   35.393   7.3742   37.798   9.0752   16.134   1.7286   16.636   2.0762 -0.5021286 2.701584 
1 1 1    7    1   36 o   51.849   1.2575  361.246   17.513  342.650   22.141  392.324   28.623   50.486   1.6328   54.009   1.9731 -3.522808 2.561096 
1 1 1    7    1   37 o   75.026   1.0418  756.305   20.994  748.595   27.743  766.637   32.114   74.629   1.3840   75.513   1.5834 -0.8839417 2.103029 
1 1 1    7    1   38 o  145.340   1.2826  2839.21   50.067  2782.42   73.447  2888.50   68.431  143.808   1.9015  146.546   1.7385 -2.737839 2.576485 
1 1 1    7    1   39 o   45.272   0.7460  275.333   9.0711  275.246   12.922  275.418   12.737   45.258   1.0630   45.272   1.0475 -0.1453781E-01 1.492392 
1 1 1    7    1   40 o  115.927   1.1309  1806.22   35.212  1817.66   50.017  1794.98   49.579  116.247   1.6019  115.520   1.5979 0.7269211 2.262624 
1 1 1    7    1   41 o   70.978   0.8874  676.928   16.917  681.726   24.042  672.222   23.808   71.210   1.2570   70.712   1.2535 0.4979019 1.775221 
1 1 1    7    1   42 o   14.645   1.4336   29.125   5.5670   30.481   7.9236   27.803   7.8232   14.905   2.0322   14.210   2.1141 0.6948900 2.932420 
1 1 1    7    1   43 o   75.980   0.9476  775.902   19.339  783.079   29.115  770.236   25.871   76.292   1.4208   75.677   1.2728 0.6146164 1.907553 
1 1 1    7    1   44 o   21.205   1.2352   60.688   7.0044   56.683   9.9379   64.643   9.8740   20.427   1.8307   21.841   1.6965 -1.413904 2.495903 
1 1 1    7    1   45 o   57.356   0.7836  442.119   12.071  437.337   17.055  446.920   17.088   57.023   1.1135   57.645   1.1037 -0.6220627 1.567798 
1 1 1    7    1   46 o   36.407   0.9530  178.218   9.3186  191.029   13.196  165.476   13.161   37.672   1.3042   35.056   1.3977 2.616077 1.911688 
1 1 1    7    1   47 o   44.626   0.9056  267.767   10.854  261.467   15.344  274.078   15.357   44.070   1.2963   45.123   1.2671 -1.052776 1.812695 
1 1 1    7    1   48 o   49.858   0.8588  334.225   11.501  326.323   16.144  342.367   16.387   49.237   1.2208   50.434   1.2098 -1.196907 1.718669 
1 1 1    7    1   49 o   57.121   0.8393  438.706   12.876  445.384   17.654  431.115   18.821   57.525   1.1426   56.586   1.2384 0.9398041 1.684966 
1 1 1    7    1   50 o   5.7872   2.3996   1.1507   6.1154  -5.0631   8.7560   7.0683   8.5448   5.7570   2.6122   8.0823   2.9821 -2.325280 3.964390 
1 1 1    7    1   51 o   14.584   1.6817   29.101   6.4665   30.304   9.2044   27.929   9.0867   14.751   2.4061   14.132   2.4846 0.6187754 3.458692 
1 1 1    7    1   52 o   22.832   1.1687   70.405   7.1428   80.385   10.252   60.989   9.9577   24.347   1.5761   21.164   1.7680 3.183542 2.368505 
1 1 1    7    1   53 o   25.892   1.1637   90.329   8.0926   89.244   11.140   91.542   11.776   25.645   1.6257   25.962   1.6981 -0.3174095 2.350812 
1 1 1    7    1   54 o   42.406   1.0427  242.175   11.876  236.007   16.093  249.551   17.599   41.811   1.4330   42.979   1.5245 -1.168121 2.092264 
1 1 1    7    1   55 o   59.592   1.0471  478.290   16.761  485.335   22.300  469.146   25.409   59.965   1.3846   58.906   1.6060 1.059502 2.120428 
1 1 1    7    1   56 o   37.621   1.0357  190.620   10.466  184.652   13.759  198.815   16.123   36.985   1.3850   38.350   1.5652 -1.364990 2.090010 
1 1 1    7    1   57 o   16.690   1.7816   38.168   7.8634   24.572   10.957   52.607   11.291   13.087   3.1543   19.541   2.1890 -6.453963 3.839446 
1 1 1    7    1   58 o   15.376   1.8865   32.581   7.6278   37.928   10.837   27.331   10.738   16.456   2.5331   13.818   2.9810 2.638574 3.911882 
1 1 1    7    1   59 o   26.263   1.2272   93.164   8.6568   95.665   12.493   90.854   12.007   26.476   1.7670   25.804   1.7426 0.6713963 2.481674 
1 1 1    7    1   60 o   51.758   0.9044  361.106   12.573  366.277   17.668  355.800   17.896   52.035   1.2642   51.275   1.2995 0.7600937 1.812945 
1 1 1    7    1   61 o   14.392   1.9781   28.902   7.4446   35.628   10.484   22.062   10.573   15.831   2.5523   12.258   3.1830 3.573344 4.079979 
1 1 1    7    1   62 o   17.649   2.0330   43.456   9.4610   36.956   14.548   48.220   12.454   15.702   3.5348   18.401   2.5918 -2.699375 4.383156 
1 1 1    7    1   63 o   21.407   1.7043   63.250   9.7179   75.850   13.764   50.726   13.722   23.240   2.2325   18.716   2.8170 4.524090 3.594404 
1 1 1    7    2  -63 o   12.732   2.7120   23.779   8.9904   5.2360   12.854   41.537   12.579   8.5063   3.4983   16.858   2.8817 -8.351415 4.532382 
1 1 1    7    2  -62 o   10.237   2.8605   15.294   8.1694   12.261   11.228   18.707   11.909   9.6636   3.4382   11.298   3.5334 -1.634665 4.930127 
1 1 1    7    2  -61 o   18.368   1.7844   46.533   8.6920   42.581   11.943   50.984   12.674   17.289   2.6570   18.988   2.5495 -1.699499 3.682334 
1 1 1    7    2  -60 o   19.385   1.5941   51.409   8.2263   60.634   11.331   41.126   11.963   20.948   2.0397   17.016   2.7082 3.932005 3.390350 
1 1 1    7    2  -59 o   27.201   1.1815   99.917   8.6318  116.537   12.152   82.989   12.264   29.278   1.5508   24.620   1.8685 4.657948 2.428201 
1 1 1    7    2  -58 o   14.227   2.1980   28.238   8.1285   19.430   10.760   39.946   12.406   11.653   3.2923   16.804   2.8504 -5.151069 4.354795 
1 1 1    7    2  -57 o   25.551   1.1916   88.042   8.1776   91.275   11.641   84.892   11.491   25.909   1.6819   24.974   1.7236 0.9340973 2.408188 
1 1 1    7    2  -56 o   28.654   1.2430  110.726   9.5664  103.508   13.626  117.744   13.434   27.573   1.8506   29.445   1.7060 -1.871719 2.516956 
1 1 1    7    2  -55 o   56.762   0.9059  433.636   13.811  426.489   20.175  439.941   18.948   56.221   1.3360   57.120   1.2350 -0.8993378 1.819405 
1 1 1    7    2  -54 o   48.993   0.9030  323.033   11.883  327.347   16.454  318.331   17.180   49.272   1.2433   48.577   1.3167 0.6950874 1.810969 
1 1 1    7    2  -53 o   49.212   0.8543  325.836   11.292  317.004   15.849  334.940   16.092   48.495   1.2168   49.850   1.2018 -1.355289 1.710248 
1 1 1    7    2  -52 o   45.582   0.9023  279.561   11.047  283.461   15.638  275.677   15.607   45.856   1.2696   45.220   1.2850 0.6360817 1.806406 
1 1 1    7    2  -51 o   73.661   0.9587  730.086   18.967  735.892   26.917  724.361   26.731   73.882   1.3564   73.300   1.3578 0.5813904 1.919227 
1 1 1    7    2  -50 o   37.967   0.9048  193.888   9.2269  200.388   12.729  186.690   13.394   38.573   1.2286   37.221   1.3398 1.351753 1.817823 
1 1 1    7    2  -49 o   48.670   0.8625  318.529   11.275  327.222   16.993  311.691   15.071   49.292   1.2835   48.119   1.1661 1.172054 1.734104 
1 1 1    7    2  -48 o   86.978   0.9031  1017.29   21.098  1024.67   30.003  1010.07   29.674   87.235   1.2805   86.613   1.2756 0.6224213 1.807436 
1 1 1    7    2  -47 o   16.759   1.4423   38.114   6.4292   36.987   8.5491   39.581   9.7541   16.431   1.9768   16.969   2.1913 -0.5377140 2.951176 
1 1 1    7    2  -46 o   25.476   0.9828   87.280   6.7247   89.484   9.4114   84.981   9.6122   25.744   1.3660   25.079   1.4329 0.6648846 1.979707 
1 1 1    7    2  -45 o   39.690   0.7978  211.727   8.5054  218.901   12.065  204.638   11.993   40.342   1.1134   39.004   1.1448 1.338188 1.596947 
1 1 1    7    2  -44 o  102.025   0.9616  1399.33   26.351  1409.72   37.380  1389.06   37.154  102.351   1.3597  101.598   1.3615 0.7531891 1.924206 
1 1 1    7    2  -43 o   58.938   0.8836  466.850   13.987  472.071   19.007  460.684   20.657   59.249   1.1944   58.521   1.3142 0.7272720 1.775846 
1 1 1    7    2  -42 o   47.291   0.8141  300.508   10.341  306.909   14.560  293.993   14.689   47.780   1.1345   46.762   1.1695 1.017723 1.629374 
1 1 1    7    2  -41 o   42.758   0.7895  245.633   9.0671  261.889   13.436  232.039   12.287   44.139   1.1333   41.549   1.1010 2.590508 1.580051 
1 1 1    7    2  -40 o   48.266   0.7993  312.978   10.362  317.723   13.621  306.458   15.965   48.623   1.0429   47.746   1.2449 0.8767357 1.624076 
1 1 1    7    2  -39 o   38.991   0.9303  204.275   9.7429  202.850   12.835  206.212   14.966   38.848   1.2301   39.163   1.4228 -0.3148384 1.880819 
1 1 1    7    2  -38 o   97.463   1.5943  1277.40   41.736  1351.27   60.213  1209.09   57.901  100.176   2.2379   94.755   2.2750 5.421097 3.191207 
1 1 1    7    2  -37 o   66.112   0.8095  587.159   14.375  590.074   21.386  584.756   19.415   66.263   1.2016   65.968   1.0958 0.2955017 1.626200 
1 1 1    7    2  -36 o   71.556   1.1621  688.016   22.334  700.672   31.742  675.607   31.431   72.192   1.6370   70.888   1.6508 1.303627 2.324834 
1 1 1    7    2  -35 o  268.480   2.1121  9695.46  152.305  9648.12  214.718  9743.39  216.072  267.614   2.9872  268.931   2.9913 -1.316864 4.227481 
1 1 1    7    2  -34 o  109.501   0.9879  1610.75   29.056  1609.12   41.053  1612.37   41.130  109.430   1.3968  109.541   1.3979 -0.1103745 1.976146 
1 1 1    7    2  -33 o  119.188   1.3801  1908.68   44.182  1956.94   68.595  1874.46   57.759  120.646   2.1168  118.094   1.8210 2.552338 2.792281 
1 1 1    7    2  -32 o   52.485   0.9188  370.004   12.952  372.439   17.192  366.808   19.696   52.654   1.2157   52.251   1.4034 0.4023666 1.856733 
1 1 1    7    2  -31 o  176.443   1.4374  4182.50   68.121  4179.48   96.271  4185.54   96.403  176.345   2.0325  176.473   2.0339 -0.1276245 2.875385 
1 1 1    7    2  -30 o  218.810   1.9097  6433.62  112.232  6616.13  147.541  6182.99  172.897  221.848   2.4761  214.412   3.0022 7.435120 3.891585 
1 1 1    7    2  -29 o   81.107   0.9472  883.549   20.634  855.895   27.409  919.722   31.348   79.823   1.2784   82.744   1.4105 -2.920708 1.903663 
1 1 1    7    2  -28 o  147.415   1.5089  2919.25   59.743  2827.93   95.674  2977.62   76.489  145.056   2.4557  148.868   1.9130 -3.812241 3.112820 
1 1 1    7    2  -27 o  125.909   1.1326  2129.33   38.304  2121.61   56.674  2135.82   51.970  125.670   1.6790  126.093   1.5345 -0.4236984 2.274616 
1 1 1    7    2  -26 o  151.053   1.3088  3064.78   53.101  3003.60   77.780  3118.20   72.673  149.521   1.9367  152.352   1.7760 -2.830688 2.627739 
1 1 1    7    2  -25 o  161.975   1.3282  3523.99   57.782  3522.64   81.693  3525.34   81.740  161.929   1.8783  161.991   1.8787 -0.6204224E-01 2.656573 
1 1 1    7    2  -24 o  118.648   1.1280  1890.76   35.948  1963.14   57.891  1845.34   45.862  120.887   1.7830  117.209   1.4568 3.677177 2.302422 
1 1 1    7    2  -23 o  104.149   1.0887  1456.88   30.454  1497.38   46.295  1425.99   40.434  105.580   1.6325  103.035   1.4611 2.544983 2.190883 
1 1 1    7    2  -22 o  157.806   1.4965  3345.08   63.428  3369.44   78.025  3297.62  108.914  158.371   1.8343  156.648   2.5886 1.722839 3.172604 
1 1 1    7    2  -21 o  159.371   1.3644  3411.52   58.402  3376.20   78.564  3455.14   87.313  158.534   1.8451  160.372   2.0270 -1.837997 2.740991 
1 1 1    7    2  -20 o   72.191   0.8231  699.928   15.960  712.619   20.698  681.320   25.064   72.842   1.0580   71.223   1.3102 1.619125 1.684007 
1 1 1    7    2  -19 o  272.525   2.2274  9977.20  163.038 10079.14  222.368  9858.68  239.755  273.879   3.0229  270.853   3.2957 3.026184 4.472040 
1 1 1    7    2  -18 o  107.753   1.0441  1559.35   30.219  1566.65   42.757  1552.06   42.716  108.002   1.4740  107.498   1.4794 0.5041504 2.088373 
1 1 1    7    2  -17 o  192.103   1.6870  4956.59   87.045  4935.70  122.820  4977.67  123.382  191.686   2.3855  192.499   2.3863 -0.8132935 3.374221 
1 1 1    7    2  -16 o  317.344   2.3693 13527.22  201.948 13589.64  275.883 13455.15  296.418  318.047   3.2295  316.460   3.4873 1.587555 4.753048 
1 1 1    7    2  -15 o  447.337   3.4460 26883.67  414.042 27128.23  545.343 26550.83  636.186  449.309   4.5189  444.448   5.3293 4.861053 6.987274 
1 1 1    7    2  -14 o  115.960   1.1523  1805.89   35.891  1775.15   47.529  1846.67   54.746  114.967   1.5392  117.259   1.7383 -2.292366 2.321787 
1 1 1    7    2  -13 o  545.309   4.0251 39950.29  589.533 39013.22  790.527 41124.41  884.881  538.786   5.4627  553.133   5.9561 -14.34790 8.081865 
1 1 1    7    2  -12 o  734.789   6.5066 72579.25  1284.12 70166.30  1683.01 75941.09  1986.55  722.197   8.6764  751.140   9.8466 -28.94342 13.12384 
1 1 1    7    2  -11 o  118.075   1.7550  1872.43   55.656  1847.14   78.367  1898.17   79.057  117.270   2.4880  118.879   2.4760 -1.608963 3.510070 
1 1 1    7    2  -10 o  246.354   2.1201  8151.27  140.285  8262.43  200.146  8043.93  196.686  248.016   3.0045  244.715   2.9924 3.301163 4.240480 
1 1 1    7    2   -9 o  643.296   5.1550 55607.96  890.704 55243.01  1315.48 55916.93  1210.37  640.957   7.6412  644.923   6.9874 -3.965515 10.35434 
1 1 1    7    2   -8 o  517.093   4.1526 35922.51  576.747 35995.80  857.356 35861.93  779.481  517.501   6.1682  516.575   5.6180 0.9259033 8.343162 
1 1 1    7    2   -7 o  224.851   1.9435  6790.28  117.376  6668.76  183.632  6874.22  152.624  222.815   3.0684  226.230   2.5118 -3.414459 3.965365 
1 1 1    7    2   -6 o  446.674   3.5924 26802.42  430.989 26594.52  636.031 26978.93  586.052  444.858   5.3231  448.085   4.8695 -3.227875 7.214390 
1 1 1    7    2   -5 o  303.490   2.3584 12371.15  192.248 12584.55  274.811 12166.61  269.040  306.076   3.3428  300.951   3.3283 5.125061 4.717244 
1 1 1    7    2   -4 o  211.753   1.7510  6022.22   99.589  6088.33  148.688  5968.42  134.117  212.903   2.6002  210.799   2.3688 2.104034 3.517387 
1 1 1    7    2   -3 o  438.980   3.7020 25888.43  436.494 25925.24  564.062 25833.48  689.150  439.239   4.7812  438.396   5.8527 0.8429871 7.557343 
1 1 1    7    2   -2 o  156.083   1.3926  3271.84   58.380  3289.79   75.639  3245.41   91.815  156.507   1.7994  155.445   2.1991 1.062637 2.841442 
1 1 1    7    2   -1 o  243.513   2.0932  7964.47  136.907  7920.98  193.034  8008.50  194.203  242.833   2.9596  244.171   2.9612 -1.337830 4.186660 
1 1 1    7    2    0 o  395.365   3.3407 20998.53  354.758 21187.86  564.082 20874.64  456.293  397.053   5.2893  394.158   4.3100 2.895721 6.823023 
1 1 1    7    2    1 o  425.206   3.5877 24289.01  409.742 24179.83  645.943 24362.51  530.025  424.139   5.6701  425.799   4.6345 -1.660095 7.323163 
1 1 1    7    2    2 o  425.822   3.5939 24359.44  411.045 24743.78  656.010 24111.00  527.417  429.057   5.6925  423.597   4.6356 5.460297 7.341242 
1 1 1    7    2    3 o  319.070   2.7112 13674.67  232.350 13944.40  372.029 13502.17  297.509  322.155   4.2995  317.031   3.4939 5.123718 5.540131 
1 1 1    7    2    4 o  207.734   2.0157  5795.94  112.469  5995.82  187.532  5683.66  140.550  211.268   3.3048  205.706   2.5439 5.561554 4.170510 
1 1 1    7    2    5 o  419.819   3.9620 23678.41  446.756 23750.62  633.193 23606.83  630.433  420.379   5.6079  419.105   5.6005 1.274048 7.925547 
1 1 1    7    2    6 o   35.599   0.8143  170.197   7.7861  173.669   13.582  168.498   9.5025   35.960   1.4062   35.421   0.9988 0.5390396 1.724862 
1 1 1    7    2    7 o  316.770   2.4584 13477.51  209.166 13485.68  295.961 13469.35  295.650  316.844   3.4777  316.652   3.4762 0.1918335 4.917168 
1 1 1    7    2    8 o  493.764   3.7957 32752.19  503.394 32807.52  712.550 32697.05  711.265  494.102   5.3692  493.269   5.3685 0.8326111 7.592701 
1 1 1    7    2    9 o  283.590   2.2112 10801.62  168.428 10842.12  238.638 10761.43  237.749  284.105   3.1273  283.046   3.1273 1.059082 4.422667 
1 1 1    7    2   10 o  298.454   2.3221 11963.80  186.144 11873.84  261.897 12055.64  264.618  297.312   3.2796  299.580   3.2886 -2.267273 4.644468 
1 1 1    7    2   11 o  264.754   2.2682  9414.52  161.292  9213.70  251.296  9555.21  210.334  261.893   3.5725  266.715   2.9361 -4.821869 4.624200 
1 1 1    7    2   12 o  167.566   1.5671  3771.00   70.531  3896.84  107.854  3676.97   93.228  170.332   2.3575  165.460   2.0978 4.872665 3.155704 
1 1 1    7    2   13 o  251.154   2.1595  8472.12  145.676  8504.57  206.457  8439.94  205.581  251.620   3.0549  250.662   3.0535 0.9580078 4.319282 
1 1 1    7    2   14 o  269.396   2.3085  9747.78  167.036  9877.48  237.980  9621.84  234.506  271.163   3.2675  267.631   3.2623 3.531860 4.617290 
1 1 1    7    2   15 o  726.691   6.1024 70998.91  1191.09 70041.99  1669.46 71991.01  1699.87  721.373   8.6164  731.334   8.6538 -9.960510 12.21190 
1 1 1    7    2   16 o  157.143   1.5796  3316.58   66.669  3265.12   93.427  3369.98   95.166  155.912   2.2310  158.396   2.2369 -2.483597 3.159283 
1 1 1    7    2   17 o  234.954   2.4273  7415.43  153.177  7484.12  182.309  7250.52  282.477  236.028   2.8758  232.254   4.5282 3.773376 5.364213 
1 1 1    7    2   18 o  202.531   1.7692  5509.51   96.243  5638.94  138.169  5387.53  134.135  204.879   2.5109  200.260   2.4938 4.618866 3.538829 
1 1 1    7    2   19 o  110.429   1.6972  1637.97   50.338  1617.70   57.546  1704.00  103.879  109.741   1.9523  112.602   3.4347 -2.861435 3.950811 
1 1 1    7    2   20 o   91.683   0.8567  1128.93   21.096  1118.51   29.660  1139.60   30.012   91.257   1.2101   92.113   1.2131 -0.8563156 1.713425 
1 1 1    7    2   21 o  196.209   1.7214  5171.35   90.718  5152.28  127.963  5190.62  128.628  195.822   2.4329  196.550   2.4365 -0.7272797 3.443223 
1 1 1    7    2   22 o  220.790   2.7200  6551.45  161.302  6525.90  207.837  6590.17  255.785  220.305   3.5124  221.320   4.3029 -1.014877 5.554469 
1 1 1    7    2   23 o  126.400   1.1869  2145.92   40.295  2120.76   63.409  2162.96   52.187  125.644   1.8790  126.895   1.5312 -1.250954 2.423831 
1 1 1    7    2   24 o  153.764   1.4678  3175.88   60.622  3236.50   91.957  3129.28   80.620  155.204   2.2059  152.620   1.9667 2.584900 2.955350 
1 1 1    7    2   25 o   96.349   0.9345  1246.79   24.184  1228.13   35.594  1262.80   32.962   95.620   1.3859   96.962   1.2657 -1.341721 1.876862 
1 1 1    7    2   26 o  197.568   1.5853  5243.38   84.122  5287.17  119.590  5200.50  118.353  198.364   2.2446  196.732   2.2398 1.632385 3.170965 
1 1 1    7    2   27 o  299.383   2.5589 12046.07  205.769 12134.72  292.469 11959.19  289.554  300.367   3.6252  298.188   3.6153 2.179077 5.119849 
1 1 1    7    2   28 o  225.307   1.8686  6820.32  113.081  7005.48  170.595  6675.20  151.029  228.283   2.7823  222.856   2.5232 5.426819 3.755979 
1 1 1    7    2   29 o  103.021   1.0329  1425.53   28.582  1443.66   45.344  1413.57   36.817  103.662   1.6286  102.582   1.3362 1.079338 2.106616 
1 1 1    7    2   30 o  231.730   1.8373  7215.50  114.356  7250.02  162.173  7181.37  161.279  232.220   2.6001  231.118   2.5981 1.101807 3.675651 
1 1 1    7    2   31 o  205.597   1.6474  5679.58   90.974  5640.76  128.095  5719.10  129.227  204.842   2.3282  206.259   2.3326 -1.417175 3.295708 
1 1 1    7    2   32 o   86.962   0.9994  1015.81   23.342  1022.32   31.318  1007.67   35.012   87.233   1.3367   86.601   1.5052 0.6317062 2.013050 
1 1 1    7    2   33 o   57.140   0.8131  438.550   12.478  429.912   14.717  460.640   23.534   56.573   0.9686   58.550   1.4965 -1.977306 1.782600 
1 1 1    7    2   34 o   6.6285   2.3840   4.9331   5.4121   10.091   6.6928  -4.8127   9.1997   8.6522   2.6395   6.0071   2.7060 2.645125 3.780140 
1 1 1    7    2   35 o   76.443   0.9366  785.000   19.230  793.789   25.924  774.248   28.674   76.860   1.2558   75.903   1.4065 0.9572906 1.885513 
1 1 1    7    2   36 o   16.567   1.2163   37.080   5.3744   34.356   7.6356   39.755   7.5660   15.880   1.8233   17.115   1.6671 -1.235169 2.470526 
1 1 1    7    2   37 o  135.325   1.1602  2460.89   42.170  2452.28   59.535  2469.57   59.740  135.045   1.6414  135.520   1.6412 -0.4752045 2.321148 
1 1 1    7    2   38 o  114.944   1.0750  1775.43   33.189  1803.48   45.441  1743.35   48.590  115.819   1.4607  113.860   1.5889 1.959114 2.158291 
1 1 1    7    2   39 o   7.7713   2.2733   8.2738   5.0461   9.2448   8.0296   7.6399   6.4872   8.6047   2.9161   7.7931   2.6212 0.8116450 3.921059 
1 1 1    7    2   40 o   67.647   0.7895  614.789   14.344  619.444   20.293  610.141   20.279   67.889   1.1129   67.377   1.1206 0.5120850 1.579323 
1 1 1    7    2   41 o  138.027   1.1828  2561.10   43.852  2575.83   62.232  2546.58   61.801  138.354   1.6747  137.566   1.6726 0.7876587 2.366882 
1 1 1    7    2   42 o   61.758   0.8596  512.524   14.259  527.628   20.417  498.140   19.924   62.643   1.2134   60.867   1.2187 1.775986 1.719796 
1 1 1    7    2   43 o   13.185   1.8660   23.884   6.4235   29.717   9.0343   17.921   9.1350   14.652   2.3772   11.301   2.9704 3.350473 3.804527 
1 1 1    7    2   44 o   94.633   0.9232  1203.81   23.465  1204.76   33.146  1202.85   33.223   94.626   1.3041   94.551   1.3082 0.7531738E-01 1.847233 
1 1 1    7    2   45 o   31.713   0.8747  135.191   7.4505  139.519   10.557  130.897   10.516   32.202   1.2206   31.189   1.2554 1.012590 1.750934 
1 1 1    7    2   46 o   39.591   0.9173  210.749   9.7549  209.670   13.774  211.836   13.817   39.466   1.2994   39.670   1.2967 -0.2034988 1.835762 
1 1 1    7    2   47 o   52.675   0.9881  373.177   13.979  384.967   19.824  361.517   19.716   53.464   1.3805   51.806   1.4169 1.657825 1.978253 
1 1 1    7    2   48 o   64.877   0.8251  565.873   14.378  584.142   20.583  548.464   20.093   65.881   1.1632   63.836   1.1719 2.044678 1.651183 
1 1 1    7    2   49 o   18.330   1.3600   45.512   6.6481   53.072   9.5972   38.538   9.2179   19.739   1.8310   16.749   2.0949 2.989864 2.782290 
1 1 1    7    2   50 o   27.724   1.0496  103.436   7.8156  103.814   10.768  103.015   11.362   27.711   1.4518   27.592   1.5392 0.1186714 2.115894 
1 1 1    7    2   51 o   37.814   0.9647  192.403   9.7979  176.253   15.373  203.450   12.715   36.132   1.5841   38.862   1.2182 -2.729454 1.998301 
1 1 1    7    2   52 o   31.133   0.9830  130.461   8.2201  136.670   11.786  124.582   11.470   31.831   1.3786   30.388   1.4053 1.442837 1.968626 
1 1 1    7    2   53 o   30.940   0.9986  128.877   8.2982  116.062   11.564  142.483   11.915   29.281   1.4751   32.497   1.3651 -3.215277 2.009800 
1 1 1    7    2   54 o   24.208   1.2720   79.247   8.2414   78.606   10.962   80.079   12.499   24.043   1.7087   24.226   1.9370 -0.1828346 2.582952 
1 1 1    7    2   55 o   52.903   1.0250  376.901   14.564  378.864   21.416  375.212   19.864   52.955   1.5057   52.720   1.4028 0.2350922 2.057907 
1 1 1    7    2   56 o   28.379   1.1451  108.543   8.7283  120.759   12.819   97.985   11.917   29.839   1.6054   26.860   1.6600 2.979088 2.309323 
1 1 1    7    2   57 o   63.454   1.0064  542.356   17.153  538.788   22.756  547.052   26.103   63.172   1.3412   63.604   1.5280 -0.4323463 2.033074 
1 1 1    7    2   58 o   15.204   1.9095   31.900   7.6259   19.159   10.797   44.581   10.772   11.580   3.3073   17.925   2.2897 -6.344630 4.022541 
1 1 1    7    2   59 o   7.7118   2.7367   7.2243   7.1095   17.839   9.8612  -4.2652   10.259   11.149   3.1525   6.3952   2.8713 4.753567 4.264101 
1 1 1    7    2   60 o   41.852   0.9700  236.292   10.904  231.366   15.605  240.992   15.243   41.312   1.4063   42.180   1.3455 -0.8673401 1.946306 
1 1 1    7    2   61 o   5.3591   2.4618  -5.4505   8.0963   3.2571   11.312 -14.5964   11.593   7.8739   3.2641   5.6678   2.7083 2.206148 4.241355 
1 1 1    7    2   62 o   26.852   1.4209   98.392   10.211   87.788   13.347  113.361   15.858   25.165   1.9909   28.576   2.0804 -3.410484 2.879524 
1 1 1    7    2   63 o   18.213   2.0761   46.570   9.9745   54.841   15.150   40.242   13.252   19.356   3.0121   16.484   3.1072 2.872231 4.327494 
1 1 1    7    3  -62 o   10.496   2.8255   16.155   8.1420   18.749   11.228   13.277   11.824   11.266   3.4147   9.9614   3.5299 1.304330 4.911288 
1 1 1    7    3  -61 o   4.4707   2.1559 -11.5280   7.7364 -14.7481   9.7033  -5.9095   12.817   4.9620   2.3981   6.9733   3.1627 -2.011353 3.969073 
1 1 1    7    3  -60 o   35.278   1.0701  168.096   10.140  168.795   14.358  167.402   14.322   35.249   1.5165   35.103   1.5190 0.1464233 2.146463 
1 1 1    7    3  -59 o   23.387   1.4071   74.328   8.7980   81.112   11.692   65.471   13.359   24.346   1.8007   21.718   2.3263 2.628239 2.941773 
1 1 1    7    3  -58 o   11.284   2.5899   18.177   7.6833   27.714   10.334   6.3899   11.489   13.927   2.8584   8.6065   3.3870 5.320954 4.431912 
1 1 1    7    3  -57 o   25.867   1.2057   90.258   8.3764   92.991   11.706   87.390   11.992   26.149   1.6755   25.327   1.7740 0.8224545 2.440169 
1 1 1    7    3  -56 o   32.782   1.0058  144.734   8.8558  148.844   12.754  140.908   12.306   33.196   1.4304   32.301   1.4184 0.8955421 2.014468 
1 1 1    7    3  -55 o   8.3215   2.9666   8.2496   8.3632   11.864   11.745   4.5321   11.911   9.8796   3.5163   8.4027   3.4006 1.476925 4.891666 
1 1 1    7    3  -54 o   29.930   1.0347  120.643   8.3178  112.246   11.613  129.488   11.919   28.785   1.5073   30.967   1.4330 -2.182325 2.079777 
1 1 1    7    3  -53 o   25.036   1.1477   84.460   7.7172   89.194   10.930   79.754   10.898   25.639   1.5951   24.224   1.6854 1.415203 2.320561 
1 1 1    7    3  -52 o   41.660   1.0555  233.706   11.811  237.113   16.685  230.283   16.722   41.908   1.4823   41.297   1.5076 0.6116867 2.114242 
1 1 1    7    3  -51 o   50.255   0.8313  339.684   11.221  342.646   15.955  336.784   15.784   50.435   1.1778   50.002   1.1753 0.4328918 1.663888 
1 1 1    7    3  -50 o   36.792   0.9085  182.084   8.9775  177.074   12.936  186.739   12.469   36.249   1.3286   37.233   1.2469 -0.9838333 1.822091 
1 1 1    7    3  -49 o   31.094   0.9837  130.064   8.2154  132.648   12.434  128.062   10.944   31.367   1.4759   30.832   1.3216 0.5350533 1.981146 
1 1 1    7    3  -48 o   41.780   0.8493  234.706   9.5311  242.724   13.100  225.688   13.893   42.467   1.1485   40.940   1.2634 1.526821 1.707409 
1 1 1    7    3  -47 o   35.435   0.9169  168.845   8.7269  159.258   13.112  176.470   11.693   34.383   1.4198   36.209   1.2023 -1.826176 1.860473 
1 1 1    7    3  -46 f   54.173   0.7885  394.479   11.473  388.309   16.149  400.769   16.304   53.724   1.1191   54.579   1.1122 -0.8557587 1.577778 
1 1 1    7    3  -45 o   40.071   0.8060  215.818   8.6744  215.910   12.279  215.726   12.256   40.062   1.1412   40.045   1.1394 0.1700592E-01 1.612637 
1 1 1    7    3  -44 o   17.871   1.2714   43.185   6.0628   34.047   8.7257   51.715   8.4302   15.742   2.1174   19.527   1.6220 -3.784579 2.667273 
1 1 1    7    3  -43 o   68.801   0.8816  636.190   16.291  633.355   22.919  639.086   23.160   68.620   1.2435   68.930   1.2510 -0.3090973 1.763846 
1 1 1    7    3  -42 f  118.236   1.1521  1879.57   36.587  1881.95   51.599  1877.15   51.887  118.244   1.6247  118.091   1.6359 0.1529083 2.305573 
1 1 1    7    3  -41 o   28.922   0.8724  112.400   6.7772  116.466   9.5960  108.355   9.5727   29.432   1.2139   28.388   1.2555 1.044497 1.746340 
1 1 1    7    3  -40 o   27.211   0.9319   99.499   6.8110  103.688   9.7315   95.477   9.5359   27.771   1.3047   26.648   1.3323 1.122869 1.864743 
1 1 1    7    3  -39 o  109.478   1.1677  1610.93   34.335  1557.39   50.668  1656.40   46.690  107.588   1.7534  110.976   1.5664 -3.387863 2.351151 
1 1 1    7    3  -38 o   22.621   1.0479   68.760   6.3666   67.802   9.7490   69.471   8.4069   22.394   1.6321   22.690   1.3861 -0.2963066 2.141258 
1 1 1    7    3  -37 o   86.469   0.8982  1004.52   20.861  1000.27   28.376  1009.52   30.772   86.271   1.2246   86.663   1.3220 -0.3924789 1.802028 
1 1 1    7    3  -36 o   51.330   0.8290  353.939   11.429  356.885   18.537  352.132   14.517   51.530   1.3393   51.194   1.0558 0.3366470 1.705429 
1 1 1    7    3  -35 f  154.545   1.4845  3210.24   61.620  3177.81   91.683  3236.96   83.217  153.683   2.2211  155.135   1.9972 -1.451523 2.986974 
1 1 1    7    3  -34 o   74.799   0.8857  751.567   17.795  739.234   24.973  764.288   25.363   74.174   1.2535   75.420   1.2520 -1.246498 1.771673 
1 1 1    7    3  -33 o  162.567   1.3438  3550.91   58.676  3530.45   90.434  3565.79   77.111  162.042   2.0778  162.878   1.7626 -0.8356781 2.724750 
1 1 1    7    3  -32 o   63.066   0.8221  534.218   13.926  553.760   20.074  516.090   19.334   64.204   1.1641   61.982   1.1614 2.222157 1.644356 
1 1 1    7    3  -31 o   81.794   1.0873  898.693   23.888  902.848   36.261  895.508   31.750   81.971   1.6470   81.642   1.4479 0.3288574 2.192963 
1 1 1    7    3  -30 o  189.464   1.6757  4823.11   85.276  4705.40  132.772  4905.76  111.256  187.069   2.6425  191.048   2.1681 -3.979294 3.418128 
1 1 1    7    3  -29 o   44.192   1.3702  262.349   16.263  255.802   18.265  287.400   35.729   43.636   1.5584   46.140   2.8977 -2.504715 3.290221 
1 1 1    7    3  -28 o  132.751   1.1818  2367.12   42.140  2369.24   57.060  2364.59   62.500  132.800   1.5997  132.665   1.7540 0.1348114 2.373946 
1 1 1    7    3  -27 o  178.640   1.5874  4287.01   76.163  4443.87  122.841  4189.06   97.074  181.836   2.5152  176.569   2.0469 5.267029 3.242825 
1 1 1    7    3  -26 o   64.013   0.7647  550.343   13.147  569.618   19.650  534.721   17.690   65.122   1.1234   63.097   1.0438 2.025726 1.533495 
1 1 1    7    3  -25 o  332.278   2.5823 14837.82  230.465 14951.25  327.592 14726.66  324.286  333.427   3.6580  330.915   3.6485 2.512604 5.166489 
1 1 1    7    3  -24 o  451.472   3.6371 27409.38  441.036 27926.15  662.137 26997.27  591.296  455.342   5.4140  447.821   4.9160 7.521881 7.312867 
1 1 1    7    3  -23 o  319.300   3.0442 13704.01  261.071 13450.07  420.765 13862.97  332.899  316.095   4.9560  321.059   3.8604 -4.964386 6.282096 
1 1 1    7    3  -22 o  200.423   1.6746  5395.99   90.146  5389.97  121.843  5403.27  133.993  200.289   2.2649  200.527   2.4878 -0.2370605 3.364376 
1 1 1    7    3  -21 o   74.766   1.0791  750.784   21.670  770.915   31.082  731.744   30.229   75.758   1.5275   73.808   1.5248 1.949738 2.158335 
1 1 1    7    3  -20 o  157.386   1.4122  3327.09   59.698  3309.64   76.815  3353.70   94.864  156.965   1.8220  157.995   2.2354 -1.030731 2.883915 
1 1 1    7    3  -19 o  161.769   1.3810  3514.88   60.002  3443.20   80.229  3605.87   90.387  160.102   1.8657  163.836   2.0540 -3.734085 2.774866 
1 1 1    7    3  -18 o  243.733   1.9174  7979.67  125.524  8027.38  164.899  7913.93  193.562  244.441   2.5116  242.690   2.9695 1.751572 3.889201 
1 1 1    7    3  -17 o  361.196   2.7960 17527.44  271.254 17522.58  383.236 17532.32  383.986  361.074   3.9516  361.174   3.9583 -0.9994507E-01 5.593161 
1 1 1    7    3  -16 o   95.920   0.8765  1235.64   22.582  1206.33   31.552  1266.41   32.334   94.774   1.2395   97.105   1.2397 -2.331375 1.753065 
1 1 1    7    3  -15 o  385.080   3.6464 19923.72  377.142 19413.83  524.057 20471.49  543.176  380.033   5.1341  390.244   5.1822 -10.21136 7.294798 
1 1 1    7    3  -14 o  470.027   3.6178 29681.20  456.732 29565.32  644.089 29798.41  647.761  469.015   5.1129  470.860   5.1219 -1.844574 7.237096 
1 1 1    7    3  -13 o  100.348   1.1828  1352.36   31.879  1361.95   49.035  1345.34   41.955  100.700   1.8130  100.085   1.5607 0.6150665 2.392191 
1 1 1    7    3  -12 o  591.545   4.5405 47017.71  721.413 46171.50  1008.57 47904.24  1032.31  586.048   6.4074  596.940   6.4386 -10.89240 9.083466 
1 1 1    7    3  -11 o  498.525   4.1991 33390.08  562.252 33159.25  722.561 33744.36  895.173  496.731   5.4158  501.006   6.6523 -4.275208 8.578106 
1 1 1    7    3  -10 o  349.783   3.8305 16436.31  359.874 16045.10  500.843 16853.87  517.439  345.538   5.3965  354.138   5.4399 -8.599731 7.662600 
1 1 1    7    3   -9 o  382.251   4.1777 19630.38  428.918 20675.93  627.405 18712.96  587.702  392.220   5.9556  373.142   5.8640 19.07828 8.357957 
1 1 1    7    3   -8 o  579.514   4.4487 45121.21  692.447 45570.13  985.838 44684.08  972.828  582.261   6.3037  576.574   6.2819 5.686707 8.899354 
1 1 1    7    3   -7 o  385.672   2.9783 19979.46  308.513 19894.17  435.280 20065.56  437.332  384.810   4.2114  386.464   4.2132 -1.654022 5.957109 
1 1 1    7    3   -6 o  412.144   3.1770 22817.01  351.688 22937.58  499.019 22698.03  495.721  413.185   4.4966  411.022   4.4904 2.162994 6.354720 
1 1 1    7    3   -5 o  234.681   1.8458  7396.96  116.350  7413.98  164.781  7380.04  164.307  234.942   2.6113  234.404   2.6098 0.5384369 3.691831 
1 1 1    7    3   -4 f  324.982   2.5200 14185.51  219.963 14274.57  312.339 14097.87  309.826  325.977   3.5674  323.953   3.5608 2.023743 5.040353 
1 1 1    7    3   -3 o  608.570   4.6674 49762.99  762.924 49642.35  1077.21 49884.41  1080.68  607.677   6.5999  609.156   6.6050 -1.479248 9.337273 
1 1 1    7    3   -2 o  493.091   4.1520 32665.94  549.889 32991.61  714.531 32192.92  861.151  495.475   5.3692  489.359   6.5518 6.116302 8.470775 
1 1 1    7    3   -1 o  508.020   4.2766 34674.80  583.547 34903.22  756.595 34339.39  916.815  509.615   5.5275  505.391   6.7540 4.224365 8.727547 
1 1 1    7    3    0 o  355.286   2.7480 16955.00  262.229 17148.44  373.623 16767.19  368.135  357.274   3.8935  353.281   3.8797 3.993408 5.496467 
1 1 1    7    3    1 o  268.195   2.0945  9660.70  150.879  9751.86  214.624  9571.62  212.148  269.443   2.9657  266.941   2.9589 2.501495 4.189298 
1 1 1    7    3    2 o  148.643   1.3358  2967.37   53.331  3015.61   76.165  2920.97   74.699  149.844   1.8924  147.473   1.8859 2.370102 2.671664 
1 1 1    7    3    3 o  1058.30   8.4658 150664.70  2406.39 146350.30  3500.18 154531.80  3313.77  1042.00   12.506  1071.03   11.519 -29.02747 17.00311 
1 1 1    7    3    4 f  251.724   2.1603  8510.54  146.058  8519.49  188.744  8497.19  230.602  251.847   2.7903  251.506   3.4137 0.3411407 4.408937 
1 1 1    7    3    5 o  367.822   3.1136 18173.31  307.608 18456.59  401.193 17769.21  479.164  370.650   4.0299  363.650   4.9058 7.000153 6.348791 
1 1 1    7    3    6 o  235.997   2.0335  7480.23  128.898  7336.68  179.845  7631.87  184.835  233.711   2.8650  238.366   2.8870 -4.654999 4.067332 
1 1 1    7    3    7 o  794.042   6.0812 84743.45  1296.95 85394.66  1842.58 84104.02  1825.85  796.758   8.6101  790.716   8.5971 6.041992 12.16734 
1 1 1    7    3    8 o  189.301   1.6576  4812.75   84.279  4745.93  118.073  4882.15  120.335  187.976   2.3386  190.655   2.3499 -2.678436 3.315289 
1 1 1    7    3    9 o  815.875   6.2475 89472.16  1369.07 87679.13  1910.31 91365.60  1963.07  807.312   8.8099  824.099   8.8688 -16.78748 12.50079 
1 1 1    7    3   10 o  437.443   3.6910 25706.31  433.670 25551.35  682.988 25811.00  561.352  436.021   5.8319  438.287   4.7685 -2.266022 7.533284 
1 1 1    7    3   11 o  494.194   4.1619 32812.20  552.434 32270.45  863.812 33187.12  718.598  489.949   6.5641  496.941   5.3838 -6.992584 8.489581 
1 1 1    7    3   12 o  284.318   2.2174 10857.34  169.336 10902.91  240.159 10812.28  238.801  284.896   3.1385  283.710   3.1338 1.186493 4.435174 
1 1 1    7    3   13 o  110.486   1.2637  1639.43   37.500  1638.28   44.386  1642.31   70.095  110.446   1.4962  110.577   2.3601 -0.1309357 2.794424 
1 1 1    7    3   14 o  575.680   6.2546 44559.69  967.102 45383.34  1383.69 43773.07  1352.23  580.625   8.8726  570.238   8.8288 10.38702 12.51682 
1 1 1    7    3   15 o  388.490   3.9311 20279.64  410.190 20343.03  486.436 20123.63  763.124  389.054   4.6550  386.728   7.3468 2.325684 8.697400 
1 1 1    7    3   16 o   99.033   1.1028  1317.18   29.334  1292.29   40.840  1343.70   42.161   98.091   1.5501  100.022   1.5694 -1.931892 2.205845 
1 1 1    7    3   17 o  277.196   2.1665 10321.40  161.305 10356.92  228.585 10286.17  227.656  277.639   3.0653  276.690   3.0633 0.9497986 4.333606 
1 1 1    7    3   18 o  143.270   1.2451  2756.84   47.913  2675.16   69.800  2829.62   65.887  141.124   1.8415  145.143   1.6901 -4.019165 2.499485 
1 1 1    7    3   19 o  108.335   1.0032  1576.26   29.190  1512.70   42.243  1634.34   40.382  106.123   1.4820  110.309   1.3630 -4.185760 2.013468 
1 1 1    7    3   20 o  194.670   1.6291  5090.42   85.179  5108.30  126.530  5075.60  115.189  194.987   2.4160  194.369   2.2064 0.6176453 3.271911 
1 1 1    7    3   21 o  250.768   2.1605  8448.59  145.519  8321.41  203.710  8581.12  207.945  248.822   3.0481  252.674   3.0640 -3.851929 4.321965 
1 1 1    7    3   22 o  160.174   1.5140  3446.20   65.134  3327.06   95.616  3549.35   88.971  157.360   2.2623  162.540   2.0380 -5.179230 3.044850 
1 1 1    7    3   23 o  195.117   1.9199  5114.52  100.613  5056.72  141.321  5173.93  143.277  193.977   2.7125  196.212   2.7187 -2.234772 3.840411 
1 1 1    7    3   24 o  162.685   1.7445  3555.41   76.229  3517.37  115.965  3584.35  101.155  161.779   2.6688  163.327   2.3059 -1.547745 3.526963 
1 1 1    7    3   25 o  279.858   2.1903 10523.40  164.636 10552.49  233.176 10494.49  232.486  280.173   3.0986  279.402   3.0980 0.7709961 4.381625 
1 1 1    7    3   26 o  235.251   2.0361  7435.78  128.655  7456.39  182.215  7415.29  181.678  235.521   2.8805  234.871   2.8799 0.6500092 4.073202 
1 1 1    7    3   27 o   22.422   0.9494   67.526   5.7179   61.246   8.7391   72.227   7.5610   21.297   1.5381   23.157   1.2200 -1.859720 1.963187 
1 1 1    7    3   28 o  146.178   1.2762  2870.28   50.108  2900.04   74.670  2845.91   67.586  146.915   1.8923  145.543   1.7289 1.371872 2.563186 
1 1 1    7    3   29 o  187.223   1.5133  4709.07   76.099  4748.97  108.138  4669.93  107.110  187.982   2.1418  186.411   2.1393 1.570786 3.027146 
1 1 1    7    3   30 o  122.855   1.3964  2027.68   46.079  1949.37   59.898  2141.22   72.123  120.444   1.8515  126.220   2.1274 -5.775467 2.820302 
1 1 1    7    3   31 o   63.723   0.7876  545.390   13.481  556.866   18.364  531.979   19.852   64.387   1.0619   62.930   1.1745 1.456799 1.583354 
1 1 1    7    3   32 o   80.543   0.8287  871.343   17.927  868.525   25.230  874.217   25.478   80.407   1.1682   80.669   1.1759 -0.2629013 1.657533 
1 1 1    7    3   33 o  146.451   1.3461  2881.79   52.951  2855.83   62.903  2944.91   98.091  145.775   1.6066  147.960   2.4683 -2.185425 2.945065 
1 1 1    7    3   34 o   61.823   0.7551  513.379   12.539  531.293   16.480  488.756   19.322   62.888   0.9757   60.314   1.1927 2.574604 1.540939 
1 1 1    7    3   35 f   56.693   0.8711  431.767   13.265  431.137   20.255  432.240   17.552   56.641   1.3314   56.718   1.1522 -0.7723618E-01 1.760709 
1 1 1    7    3   36 o   74.541   0.8051  746.412   16.119  737.380   22.675  755.639   22.918   74.078   1.1396   74.990   1.1379 -0.9116135 1.610430 
1 1 1    7    3   37 o   68.208   0.8293  625.002   15.193  617.253   22.662  631.328   20.477   67.769   1.2450   68.543   1.1123 -0.7736282 1.669505 
1 1 1    7    3   38 o  102.914   0.9562  1423.08   26.432  1406.67   37.149  1439.92   37.617  102.293   1.3521  103.494   1.3532 -1.201660 1.912975 
1 1 1    7    3   39 o   46.497   0.8443  290.463   10.544  272.070   14.212  312.987   15.727   44.991   1.1761   48.255   1.2134 -3.263348 1.689836 
1 1 1    7    3   40 o  103.529   1.0091  1440.39   28.060  1433.79   41.655  1445.87   37.967  103.248   1.5021  103.696   1.3632 -0.4479523 2.028442 
1 1 1    7    3   41 o  107.442   0.9481  1551.32   27.359  1541.08   40.236  1560.13   37.312  107.044   1.3995  107.715   1.2897 -0.6713333 1.903104 
1 1 1    7    3   42 f   25.721   1.1023   88.937   7.6151   94.569   10.924   83.612   10.622   26.464   1.5435   24.873   1.5983 1.591082 2.221935 
1 1 1    7    3   43 o   61.733   0.8555  512.170   14.185  517.794   19.838  506.285   20.291   62.049   1.1903   61.353   1.2314 0.6965294 1.712644 
1 1 1    7    3   44 o   30.833   0.8757  127.789   7.2518  121.293   10.121  134.643   10.396   30.025   1.2550   31.636   1.2234 -1.610641 1.752659 
1 1 1    7    3   45 o   62.072   0.8005  517.865   13.347  511.972   18.806  523.846   18.945   61.691   1.1349   62.403   1.1303 -0.7117500 1.601781 
1 1 1    7    3   46 f   24.940   1.2277   83.712   8.2239   92.675   11.858   75.404   11.416   26.161   1.6967   23.570   1.8172 2.590467 2.486172 
1 1 1    7    3   47 o   79.236   0.8638  844.126   18.383  854.702   26.200  833.870   25.800   79.685   1.2242   78.708   1.2204 0.9765320 1.728589 
1 1 1    7    3   48 o   62.057   0.9148  517.897   15.248  532.797   21.632  503.183   21.497   62.902   1.2804   61.125   1.3094 1.776859 1.831354 
1 1 1    7    3   49 o   53.523   0.8706  385.241   12.515  366.482   17.532  404.737   17.872   52.166   1.2513   54.826   1.2137 -2.659657 1.743180 
1 1 1    7    3   50 o   41.437   0.9476  230.998   10.547  244.159   14.639  216.792   15.209   42.570   1.2803   40.100   1.4121 2.470650 1.906080 
1 1 1    7    3   51 o   66.684   0.8766  598.191   15.701  616.997   21.595  577.098   22.870   67.677   1.1880   65.432   1.3013 2.244896 1.762043 
1 1 1    7    3   52 o   42.964   0.9110  248.398   10.512  256.117   15.433  241.717   14.358   43.579   1.3185   42.344   1.2625 1.235550 1.825465 
1 1 1    7    3   53 o   20.908   1.5039   59.347   8.3892   58.332   11.709   60.417   12.025   20.612   2.1465   20.977   2.1655 -0.3649082 3.049068 
1 1 1    7    3   54 o   35.082   1.0794  165.799   10.171  156.061   14.257  175.889   14.513   33.979   1.5622   36.083   1.4975 -2.103405 2.163987 
1 1 1    7    3   55 o   17.414   1.6310   41.368   7.5397   47.679   10.704   35.153   10.622   18.601   2.1840   15.843   2.5853 2.757438 3.384367 
1 1 1    7    3   56 o   22.245   1.3531   67.037   8.0460   54.327   10.914   82.166   11.908   19.889   2.0736   24.556   1.8184 -4.666403 2.757949 
1 1 1    7    3   57 o   30.365   1.0839  124.274   8.8399  112.446   12.501  136.106   12.502   28.775   1.6241   31.730   1.4670 -2.955456 2.188536 
1 1 1    7    3   58 o   35.197   1.0925  167.069   10.328  155.557   13.510  183.263   16.023   33.903   1.4836   36.770   1.6224 -2.867809 2.198453 
1 1 1    7    3   59 o   18.254   1.6048   45.572   7.7885   40.579   11.065   50.477   10.965   16.994   2.4986   19.081   2.1786 -2.086693 3.315066 
1 1 1    7    3   60 o   31.297   1.0680  132.296   8.9777  132.154   12.604  132.442   12.791   31.193   1.5044   31.222   1.5253 -0.2900887E-01 2.142362 
1 1 1    7    3   61 o   8.1963   3.1861   6.6126   10.065   17.071   14.940  -2.0778   13.620   11.222   3.9689   7.6952   3.3896 3.526292 5.219330 
1 1 1    7    3   62 o   16.320   2.1843   37.540   9.3348   46.546   12.945   27.785   13.473   17.967   2.7718   13.531   3.6314 4.435205 4.568316 
1 1 1    7    4  -62 o   13.965   2.9469   28.757   10.706   12.953   14.642   46.915   15.694   10.259   3.8792   17.705   3.4242 -7.445589 5.174310 
1 1 1    7    4  -61 o   22.669   1.4609   70.214   8.8477   56.811   12.124   85.481   12.941   20.124   2.2835   24.862   1.9536 -4.737158 3.005180 
1 1 1    7    4  -60 o   24.542   1.3043   81.842   8.5666   96.187   12.098   67.415   12.132   26.504   1.7085   22.064   2.0716 4.440920 2.685194 
1 1 1    7    4  -59 o   22.689   1.4401   70.050   8.7309   76.648   13.462   65.259   11.470   23.555   2.1515   21.767   1.9837 1.787571 2.926465 
1 1 1    7    4  -58 o   24.182   1.3512   79.309   8.7410   71.602   11.522   89.757   13.417   22.862   1.8934   25.596   1.9666 -2.733414 2.729921 
1 1 1    7    4  -57 o   31.447   1.0603  133.288   8.9554  127.069   12.620  139.594   12.710   30.605   1.5402   32.128   1.4728 -1.522961 2.131072 
1 1 1    7    4  -56 o   49.090   0.8919  324.377   11.760  322.216   16.660  326.523   16.603   48.868   1.2693   49.196   1.2565 -0.3277779 1.786027 
1 1 1    7    4  -55 o   36.070   0.9899  175.193   9.5899  172.165   13.117  178.669   14.056   35.713   1.3675   36.372   1.4388 -0.6583519 1.984967 
1 1 1    7    4  -54 o   37.245   1.0520  186.853   10.523  180.808   14.983  192.739   14.784   36.578   1.5250   37.776   1.4571 -1.197876 2.109255 
1 1 1    7    4  -53 o   50.888   0.8483  348.434   11.595  337.760   16.394  359.120   16.403   50.053   1.2194   51.617   1.1831 -1.564301 1.699058 
1 1 1    7    4  -52 o   71.640   1.0537  691.149   20.275  687.431   28.364  695.035   28.994   71.351   1.4800   71.738   1.5047 -0.3869324 2.110639 
1 1 1    7    4  -51 f   67.726   0.8426  617.000   15.327  622.007   21.811  612.116   21.544   67.945   1.1952   67.403   1.1900 0.5414581 1.686570 
1 1 1    7    4  -50 o   26.443   1.0564   94.123   7.5033   94.617   10.475   93.601   10.752   26.443   1.4809   26.293   1.5292 0.1494045 2.128706 
1 1 1    7    4  -49 o   49.156   0.9958  325.103   13.147  329.003   18.671  321.268   18.516   49.404   1.4070   48.820   1.4121 0.5848503 1.993421 
1 1 1    7    4  -48 o   33.279   0.8929  148.936   7.9814  146.596   11.190  151.359   11.388   32.994   1.2627   33.526   1.2646 -0.5315056 1.787078 
1 1 1    7    4  -47 o   22.240   1.2680   66.814   7.5429   68.353   9.9834   64.767   11.514   22.449   1.6676   21.803   1.9880 0.6462173 2.594838 
1 1 1    7    4  -46 o   42.779   0.9067  246.071   10.418  253.070   14.873  239.328   14.597   43.357   1.2772   42.162   1.2890 1.194553 1.814569 
1 1 1    7    4  -45 o   54.677   0.7812  401.825   11.473  412.698   16.355  391.290   16.099   55.389   1.0994   53.932   1.1113 1.456738 1.563227 
1 1 1    7    4  -44 o   38.459   0.8998  198.833   9.2945  194.982   13.556  202.250   12.768   38.062   1.3260   38.771   1.2261 -0.7089615 1.806000 
1 1 1    7    4  -43 o   65.717   0.8316  580.419   14.678  580.422   19.961  580.415   21.658   65.696   1.1312   65.688   1.2275 0.8476257E-02 1.669301 
1 1 1    7    4  -42 o   44.467   0.8890  265.735   10.618  258.733   13.191  278.625   17.897   43.867   1.1195   45.504   1.4643 -1.636208 1.843226 
1 1 1    7    4  -41 f   37.378   0.8552  187.733   8.5853  193.411   11.848  181.456   12.458   37.929   1.1630   36.735   1.2626 1.194542 1.716623 
1 1 1    7    4  -40 o   93.919   0.9536  1185.35   24.055  1177.40   35.754  1191.93   32.513   93.566   1.4227   94.154   1.2857 -0.5879517 1.917565 
1 1 1    7    4  -39 o  123.215   1.3258  2041.16   43.878  2104.99   63.186  1981.71   60.978  125.055   1.8811  121.340   1.8710 3.715523 2.653188 
1 1 1    7    4  -38 o   63.571   0.8442  542.955   14.415  553.201   22.719  536.052   18.649   64.149   1.3186   63.157   1.0994 0.9923744 1.716771 
1 1 1    7    4  -37 o  112.817   1.0147  1710.22   30.748  1689.13   43.253  1731.77   43.720  112.089   1.4367  113.495   1.4342 -1.405968 2.030021 
1 1 1    7    4  -36 o   17.185   1.1295   39.858   5.1847   33.413   7.3759   46.153   7.2895   15.661   1.7855   18.469   1.4819 -2.808646 2.320338 
1 1 1    7    4  -35 o  108.257   1.0790  1574.66   31.374  1585.06   44.504  1564.38   44.235  108.588   1.5259  107.877   1.5266 0.7108917 2.158485 
1 1 1    7    4  -34 o   85.686   1.1979  986.507   27.570  1000.94   39.366  972.615   38.624   86.288   1.6985   85.059   1.6906 1.229156 2.396519 
1 1 1    7    4  -33 o   39.568   0.7590  210.296   8.0660  222.596   12.567  201.679   10.519   40.704   1.1495   38.747   1.0107 1.957848 1.530641 
1 1 1    7    4  -32 o  130.114   1.1702  2274.38   40.895  2263.66   60.430  2283.45   55.546  129.780   1.7336  130.354   1.5865 -0.5741425 2.349974 
1 1 1    7    4  -31 o  149.078   1.3667  2985.83   54.723  2985.48   77.267  2986.19   77.515  149.039   1.9302  149.056   1.9362 -0.1744080E-01 2.733938 
1 1 1    7    4  -30 o  185.920   1.8416  4645.11   91.965  4663.39  116.678  4615.12  149.432  186.249   2.3324  185.220   3.0038 1.029602 3.802978 
1 1 1    7    4  -29 o  200.373   2.1051  5395.88  113.295  5409.10  149.957  5378.30  172.937  200.563   2.7837  199.947   3.2202 0.6155701 4.256600 
1 1 1    7    4  -28 o  134.311   1.2528  2423.17   45.194  2459.62   58.713  2370.16   70.797  135.307   1.6156  132.810   1.9847 2.496384 2.559100 
1 1 1    7    4  -27 o   45.895   0.8426  282.895   10.386  302.685   14.881  264.097   14.503   47.471   1.1671   44.341   1.2177 3.129330 1.686701 
1 1 1    7    4  -26 o  169.463   1.5148  3857.74   68.949  3836.79  108.517  3871.93   89.290  168.968   2.3911  169.759   1.9583 -0.7912292 3.090686 
1 1 1    7    4  -25 o  354.203   2.8698 16864.20  273.018 16605.28  400.881 17088.17  372.852  351.281   4.2488  356.410   3.8949 -5.128326 5.763899 
1 1 1    7    4  -24 f  228.835   1.8119  7034.88  111.364  6994.70  156.997  7075.58  157.992  228.141   2.5621  229.457   2.5636 -1.315262 3.624391 
1 1 1    7    4  -23 o   48.983   1.1888  322.272   15.640  306.922   21.686  338.912   22.578   47.799   1.6891   50.229   1.6736 -2.429405 2.377815 
1 1 1    7    4  -22 o  109.046   1.0617  1597.08   31.095  1539.91   39.201  1694.10   51.063  107.072   1.3631  112.300   1.6929 -5.227531 2.173484 
1 1 1    7    4  -21 o  118.926   1.0277  1899.57   32.828  1922.91   46.601  1876.59   46.252  119.648   1.4501  118.198   1.4569 1.449905 2.055574 
1 1 1    7    4  -20 o   92.852   1.0531  1157.93   26.263  1138.78   33.013  1190.96   43.347   92.078   1.3349   94.159   1.7140 -2.081116 2.172458 
1 1 1    7    4  -19 o  240.344   1.8938  7759.84  122.252  7909.27  174.886  7617.03  170.961  242.612   2.6838  238.088   2.6734 4.523804 3.788128 
1 1 1    7    4  -18 f  336.660   2.7284 15228.99  246.709 15158.96  364.628 15288.11  335.044  335.781   4.0430  337.239   3.6989 -1.458649 5.479740 
1 1 1    7    4  -17 o  195.858   1.5660  5152.38   82.382  5176.62  116.789  5128.37  116.224  196.304   2.2150  195.387   2.2147 0.9169922 3.132273 
1 1 1    7    4  -16 f  478.345   3.6826 30749.99  473.136 30706.63  668.247 30793.57  669.987  477.842   5.2067  478.517   5.2129 -0.6752014 7.367737 
1 1 1    7    4  -15 o  343.354   2.6610 15837.23  245.403 15817.35  346.642 15857.21  347.463  343.086   3.7617  343.518   3.7659 -0.4317932 5.322815 
1 1 1    7    4  -14 o   77.694   0.8412  810.685   17.554  839.048   25.383  784.686   24.303   79.041   1.1957   76.437   1.1837 2.603333 1.682507 
1 1 1    7    4  -13 o   84.190   0.8416  951.898   19.031  975.131   25.975  924.973   27.962   85.210   1.1349   82.989   1.2544 2.220779 1.691651 
1 1 1    7    4  -12 o  286.271   2.4452 11007.53  188.009 11003.49  265.760 11011.58  266.009  286.194   3.4573  286.299   3.4593 -0.1051941 4.890749 
1 1 1    7    4  -11 o   79.222   0.8927  842.869   18.995  888.923   29.238  809.237   24.986   81.356   1.3380   77.624   1.1984 3.731758 1.796257 
1 1 1    7    4  -10 o  252.990   1.9834  8596.28  134.773  8593.12  190.514  8599.45  190.682  252.931   2.8044  253.024   2.8058 -0.9320068E-01 3.966975 
1 1 1    7    4   -9 o  326.856   3.5860 14351.78  314.815 13705.44  431.944 15084.13  459.791  319.364   5.0356  335.039   5.1094 -15.67532 7.173805 
1 1 1    7    4   -8 o   82.415   1.5676  912.225   34.701  912.225   34.701   0.0000   0.0000   82.415   1.5676  ?   ?  0.000000 1.567617 
1 1 1    7    4   -7 o  494.957   4.1701 32913.05  554.372 32454.78  708.331 33637.51  890.605  491.436   5.3663  500.225   6.6287 -8.788849 8.528597 
1 1 1    7    4   -6 o  337.155   2.6124 15268.21  236.569 15282.79  334.713 15253.66  334.406  337.290   3.6947  336.969   3.6948 0.3215637 5.225160 
1 1 1    7    4   -5 o  207.775   1.8064  5798.05  100.810  5817.25  142.823  5778.99  142.312  208.111   2.5551  207.426   2.5544 0.6855164 3.612952 
1 1 1    7    4   -4 o  113.183   1.0699  1720.43   32.524  1718.27   45.957  1722.60   46.036  113.111   1.5127  113.253   1.5134 -0.1423340 2.139780 
1 1 1    7    4   -3 o  394.819   3.0461 20938.64  323.026 20876.92  455.873 21000.87  457.789  394.195   4.3057  395.363   4.3110 -1.168243 6.092897 
1 1 1    7    4   -2 o  508.546   3.9070 34743.47  533.668 35008.58  758.499 34483.57  750.998  510.394   5.5330  506.553   5.5198 3.840698 7.815475 
1 1 1    7    4   -1 o  267.199   2.5576  9589.55  183.553  9550.65  231.425  9655.52  301.380  266.645   3.2314  268.083   4.1856 -1.438324 5.287771 
1 1 1    7    4    0 o  726.620   6.0982 70965.31  1190.14 71150.00  1539.06 70690.62  1877.05  727.359   7.8780  724.751   9.6426 2.607544 12.45160 
1 1 1    7    4    1 o  278.338   2.1706 10405.25  162.272 10411.18  229.466 10399.31  229.509  278.402   3.0687  278.243   3.0710 0.1587219 4.341440 
1 1 1    7    4    2 o  430.787   3.3183 24928.47  383.942 25330.79  548.783 24542.74  537.350  434.194   4.7057  427.388   4.6810 6.806213 6.637455 
1 1 1    7    4    3 o  203.792   1.7727  5577.83   97.030  5568.77  125.191  5591.46  153.555  203.621   2.2891  204.029   2.8021 -0.4083710 3.618217 
1 1 1    7    4    4 o  549.799   4.2209 40611.10  623.302 40941.53  886.013 40287.34  877.019  551.920   5.9768  547.494   5.9640 4.426331 8.443455 
1 1 1    7    4    5 o  644.777   4.9433 55862.42  856.083 56151.34  1214.39 55577.01  1207.01  646.265   6.9961  642.952   6.9894 3.312866 9.889255 
1 1 1    7    4    6 o  275.066   2.2427 10162.14  165.693  9965.75  242.570 10333.94  226.868  272.377   3.3157  277.368   3.0453 -4.991241 4.501940 
1 1 1    7    4    7 o  234.422   1.8450  7380.61  116.171  7441.31  165.090  7321.07  163.502  235.375   2.6114  233.466   2.6074 1.909409 3.690239 
1 1 1    7    4    8 o  689.966   5.2884 63972.97  980.039 64280.72  1389.95 63668.71  1382.05  691.401   7.4848  688.103   7.4779 3.298401 10.58019 
1 1 1    7    4    9 o  492.534   4.1488 32591.92  548.841 33637.24  885.362 31939.51  699.449  500.215   6.5898  487.514   5.3417 12.70129 8.482856 
1 1 1    7    4   10 o  655.182   6.1534 57701.81  1082.85 57521.19  1527.80 57884.14  1534.98  653.852   8.6995  655.909   8.7130 -2.057739 12.31251 
1 1 1    7    4   11 o  557.513   4.9442 41768.42  740.363 41890.05  908.460 41527.89  1277.57  558.235   6.0589  555.552   8.5618 2.682800 10.48884 
1 1 1    7    4   12 o  311.029   3.4202 12995.94  285.719 12624.93  396.750 13395.63  411.804  306.507   4.8193  315.723   4.8562 -9.215363 6.841636 
1 1 1    7    4   13 o  163.977   1.6350  3611.29   72.008  3709.47   92.487  3460.17  114.745  166.186   2.0720  160.498   2.6618 5.688538 3.373169 
1 1 1    7    4   14 o  165.459   1.4068  3676.83   62.520  3684.54   84.676  3667.60   92.702  165.627   1.9034  165.244   2.0887 0.3834991 2.825883 
1 1 1    7    4   15 o  505.494   4.0610 34340.12  551.373 34006.54  741.347 34753.07  824.835  502.885   5.4886  508.305   6.0416 -5.420135 8.162432 
1 1 1    7    4   16 f  136.813   1.2578  2513.93   46.221  2482.82   59.142  2562.74   74.086  135.960   1.6196  138.126   1.9970 -2.166031 2.571140 
1 1 1    7    4   17 o  358.693   3.0438 17288.11  293.245 16890.09  372.720 17934.78  475.086  354.476   3.9148  365.185   4.8436 -10.70950 6.227811 
1 1 1    7    4   18 f  359.028   3.0470 17322.06  293.830 17588.00  383.444 16943.76  457.330  361.694   3.9470  354.915   4.7975 6.778320 6.212465 
1 1 1    7    4   19 o  185.101   1.5569  4602.16   77.406  4593.33  114.697  4609.55  104.895  184.902   2.3095  185.234   2.1083 -0.3327332 3.127129 
1 1 1    7    4   20 o  195.385   1.7132  5128.08   89.906  4993.03  114.302  5347.20  145.594  192.778   2.2075  199.476   2.7174 -6.697784 3.501085 
1 1 1    7    4   21 o  262.685   2.1521  9270.88  151.839  9321.49  206.291  9211.04  224.305  263.353   2.9164  261.768   3.1903 1.585358 4.322430 
1 1 1    7    4   22 o  224.180   1.7775  6751.30  107.031  6722.39  165.123  6772.24  140.557  223.652   2.7488  224.502   2.3310 -0.8507843 3.604084 
1 1 1    7    4   23 o  175.742   1.4899  4148.66   70.328  4334.24  119.468  4050.25   86.999  179.594   2.4767  173.634   1.8655 5.960510 3.100627 
1 1 1    7    4   24 f  189.175   1.7602  4807.60   89.436  4815.96  120.127  4797.21  133.965  189.314   2.3625  188.932   2.6399 0.3825989 3.542681 
1 1 1    7    4   25 o   77.469   1.1150  806.078   23.201  867.396   41.051  777.299   28.124   80.351   1.9021   76.071   1.3765 4.280128 2.347919 
1 1 1    7    4   26 o  311.353   2.6594 13029.85  222.400 13294.75  356.553 12861.15  284.535  314.299   4.2237  309.245   3.4256 5.054413 5.438228 
1 1 1    7    4   27 o   90.674   0.8679  1104.25   21.137  1139.38   30.273  1070.83   29.526   92.100   1.2238   89.286   1.2312 2.813545 1.735953 
1 1 1    7    4   28 o  151.551   1.2598  3085.17   51.282  3072.61   72.338  3097.86   72.711  151.224   1.7810  151.844   1.7828 -0.6200562 2.519987 
1 1 1    7    4   29 o  155.916   1.3497  3265.70   56.521  3345.28   77.545  3175.51   82.557  157.784   1.8298  153.720   1.9995 4.064194 2.710397 
1 1 1    7    4   30 o  270.849   2.1265  9860.32  154.700  9950.61  219.939  9771.91  217.636  271.969   3.0109  269.516   3.0064 2.452515 4.254881 
1 1 1    7    4   31 o   39.020   0.8153  204.507   8.5452  205.428   11.069  203.148   13.444   39.106   1.0538   38.886   1.2872 0.2199478 1.663538 
1 1 1    7    4   32 o   47.698   0.8026  305.591   10.282  305.971   13.154  304.993   16.487   47.726   1.0261   47.646   1.2883 0.8000946E-01 1.647049 
1 1 1    7    4   33 o  119.165   1.0459  1907.66   33.476  1884.77   43.509  1940.86   52.406  118.434   1.3678  120.170   1.6236 -1.735603 2.122972 
1 1 1    7    4   34 o  174.655   1.5643  4100.15   73.384  4100.91  103.764  4099.40  103.796  174.595   2.2127  174.563   2.2138 0.3230286E-01 3.130003 
1 1 1    7    4   35 o   94.543   0.9938  1200.86   25.236  1206.31   32.424  1192.49   40.193   94.744   1.2742   94.183   1.5889 0.5617599 2.036679 
1 1 1    7    4   36 o   75.933   0.8973  774.621   18.301  784.627   26.024  764.833   25.740   76.407   1.2681   75.437   1.2704 0.9700165 1.794967 
1 1 1    7    4   37 o  107.783   0.9849  1560.94   28.514  1559.14   40.321  1562.74   40.327  107.693   1.3940  107.817   1.3926 -0.1244125 1.970393 
1 1 1    7    4   38 o   99.297   1.0169  1324.94   27.120  1303.11   38.084  1347.40   38.630   98.446   1.4403  100.105   1.4368 -1.658981 2.034374 
1 1 1    7    4   39 o   60.858   0.7674  497.582   12.544  513.484   18.103  482.894   17.398   61.811   1.0904   59.942   1.0806 1.868973 1.535164 
1 1 1    7    4   40 o  100.708   0.9899  1362.99   26.775  1366.20   36.458  1359.24   39.450  100.797   1.3467  100.528   1.4611 0.2685623 1.986997 
1 1 1    7    4   41 f   44.364   0.9257  264.493   11.031  263.223   18.071  265.248   13.926   44.231   1.5211   44.418   1.1673 -0.1868248 1.917421 
1 1 1    7    4   42 o   54.895   0.7376  404.900   10.875  411.432   16.274  399.630   14.619   55.319   1.0953   54.525   0.9982 0.7940254 1.481902 
1 1 1    7    4   43 o   44.267   1.0160  263.458   12.080  251.622   17.060  275.359   17.108   43.235   1.4691   45.233   1.4082 -1.997639 2.035017 
1 1 1    7    4   44 o   41.394   0.8476  230.316   9.4236  215.806   13.226  245.277   13.430   40.049   1.2295   42.700   1.1710 -2.650806 1.697954 
1 1 1    7    4   45 o   19.940   1.3952   53.799   7.4250   47.403   10.451   60.319   10.551   18.611   2.1290   21.058   1.8853 -2.447933 2.843824 
1 1 1    7    4   46 o   65.169   0.8058  570.904   14.105  547.560   19.694  595.492   20.212   63.790   1.1495   66.526   1.1312 -2.735542 1.612694 
1 1 1    7    4   47 o   64.595   0.8178  560.957   14.188  556.344   20.025  565.607   20.106   64.294   1.1596   64.828   1.1547 -0.5336456 1.636469 
1 1 1    7    4   48 o   13.169   1.8604   23.884   6.3971   21.095   8.9865   26.749   9.1086   12.213   2.7995   13.824   2.5470 -1.611531 3.784710 
1 1 1    7    4   49 o   49.098   0.9629  324.297   12.698  321.727   17.000  327.540   19.097   48.869   1.2952   49.290   1.4425 -0.4210014 1.938656 
1 1 1    7    4   50 o   31.686   1.0234  135.124   8.7100  124.012   13.375  143.307   11.478   30.259   1.6519   32.609   1.3105 -2.350298 2.108583 
1 1 1    7    4   51 f   51.953   0.8378  363.065   11.691  378.009   16.763  348.912   16.313   52.970   1.1783   50.888   1.1935 2.081577 1.677117 
1 1 1    7    4   52 o   33.416   1.1426  150.447   10.255  162.122   14.024  137.031   15.034   34.647   1.5070   31.771   1.7688 2.875603 2.323713 
1 1 1    7    4   53 o   16.954   1.6173   39.214   7.2756   36.940   10.738   41.144   9.8924   16.264   2.5414   17.264   2.1821 -1.000278 3.349674 
1 1 1    7    4   54 o   51.782   0.8937  360.881   12.430  366.922   18.114  355.505   17.088   52.153   1.2931   51.344   1.2391 0.8083267 1.790987 
1 1 1    7    4   55 o   14.650   2.0597   29.709   7.8809   30.454   10.083   28.539   12.635   14.705   2.6503   14.087   3.3822 0.6182346 4.296907 
1 1 1    7    4   56 o   46.348   0.9808  289.288   12.210  275.816   17.462  302.174   17.079   45.183   1.4389   47.311   1.3440 -2.127735 1.968929 
1 1 1    7    4   57 o   31.914   1.0516  137.273   9.0140  153.612   12.795  121.174   12.701   33.712   1.4131   29.875   1.5885 3.836729 2.126056 
1 1 1    7    4   58 o   12.441   2.2832   21.822   7.3482   18.802   10.290   24.966   10.497   11.445   3.2147   13.160   3.0321 -1.715325 4.419044 
1 1 1    7    4   59 o   14.905   2.1144   30.998   8.2274   41.679   11.131   18.137   12.214   17.220   2.4781   11.321   3.5838 5.899694 4.357151 
1 1 1    7    4   60 o   14.071   2.8849   28.674   10.537   29.414   14.566   27.861   15.262   14.026   3.7806   13.653   3.9419 0.3729153 5.461836 
1 1 1    7    4   61 o   24.962   1.3938   84.956   9.3078   91.049   12.848   78.226   13.503   25.692   1.8748   23.706   2.1439 1.985296 2.848007 
1 1 1    7    4   62 o   21.995   2.0551   67.510   12.000   81.936   18.564   57.154   15.728   23.793   2.9694   19.776   3.0598 4.017038 4.263833 
1 1 1    7    5  -62 o   14.308   2.5981   29.698   9.6168   30.268   12.600   28.902   14.884   14.145   3.3654   13.659   3.8768 0.4850578 5.133731 
1 1 1    7    5  -61 o   12.015   2.7060   21.068   8.5225   12.488   11.351   32.152   12.902   9.7320   3.4576   14.673   3.3478 -4.940950 4.812762 
1 1 1    7    5  -60 o   8.7784   2.9966   10.226   8.4794   4.3823   11.292   17.782   12.841   8.0706   3.2942   11.197   3.6856 -3.126680 4.943282 
1 1 1    7    5  -59 o   26.303   1.2344   93.592   8.7203  106.873   12.210   79.764   12.459   27.985   1.6315   24.079   1.9429 3.906227 2.537034 
1 1 1    7    5  -58 o   29.545   1.2314  117.942   9.7714  115.412   12.503  121.914   15.663   29.122   1.6046   29.837   1.9655 -0.7151318 2.537326 
1 1 1    7    5  -57 o   31.839   1.0663  136.667   9.1187  140.808   12.998  132.654   12.796   32.256   1.5002   31.305   1.5219 0.9513683 2.137006 
1 1 1    7    5  -56 o   47.415   0.9565  302.757   12.182  314.155   18.548  294.111   16.154   48.216   1.4322   46.680   1.2884 1.535950 1.926479 
1 1 1    7    5  -55 o   32.120   1.0439  138.977   9.0058  134.423   12.447  143.979   13.046   31.542   1.4693   32.641   1.4880 -1.099342 2.091178 
1 1 1    7    5  -54 o   60.897   0.8537  499.020   13.963  499.423   19.747  498.616   19.746   60.860   1.2080   60.811   1.2089 0.4938889E-01 1.709054 
1 1 1    7    5  -53 o   46.651   0.9752  293.016   12.219  289.072   17.407  296.848   17.156   46.273   1.4006   46.898   1.3620 -0.6249657 1.953651 
1 1 1    7    5  -52 o   4.6554   2.1884  -7.3758   6.9948 -10.8810   9.2241  -2.6324   10.730   5.2070   2.4673   6.8402   3.0110 -1.633248 3.892802 
1 1 1    7    5  -51 o   41.110   0.8664  227.378   9.5667  228.858   13.619  225.936   13.441   41.206   1.2306   40.943   1.2222 0.2628403 1.734409 
1 1 1    7    5  -50 o   14.020   1.7078   26.950   6.2981   42.331   9.0887   12.742   8.7354   17.575   1.9587   9.6766   3.0263 7.898203 3.604850 
1 1 1    7    5  -49 o   34.184   1.0341  157.264   9.4944  164.151   13.615  150.745   13.246   34.889   1.4529   33.432   1.4752 1.457127 2.070544 
1 1 1    7    5  -48 o   41.787   0.8704  234.816   9.7689  228.180   13.779  241.522   13.852   41.163   1.2463   42.351   1.2177 -1.188961 1.742453 
1 1 1    7    5  -47 o   29.130   0.9481  114.132   7.4180  119.481   10.645  109.080   10.343   29.784   1.3306   28.456   1.3533 1.327274 1.897864 
1 1 1    7    5  -46 o   39.572   1.0037  210.635   10.668  216.681   16.139  205.944   14.216   40.098   1.4985   39.104   1.3536 0.9935036 2.019321 
1 1 1    7    5  -45 o   50.931   0.8715  348.746   11.922  355.737   17.030  342.026   16.697   51.411   1.2333   50.410   1.2332 1.000488 1.744045 
1 1 1    7    5  -44 o   66.855   0.8330  600.794   14.959  625.151   22.740  582.213   19.861   68.159   1.2421   65.788   1.1240 2.370255 1.675182 
1 1 1    7    5  -43 o   69.688   0.8835  652.790   16.536  657.370   23.079  647.958   23.705   69.902   1.2293   69.396   1.2718 0.5065002 1.768756 
1 1 1    7    5  -42 o   65.877   0.9261  583.322   16.386  584.907   21.936  581.322   24.647   65.944   1.2385   65.728   1.3961 0.2161942 1.866276 
1 1 1    7    5  -41 o   65.475   0.7916  576.036   13.921  574.065   19.675  578.012   19.698   65.345   1.1210   65.569   1.1185 -0.2243881 1.583584 
1 1 1    7    5  -40 o   27.392   0.9499  100.834   6.9887  103.244   10.702   99.043   9.2283   27.667   1.4451   27.140   1.2659 0.5269051 1.921188 
1 1 1    7    5  -39 o   38.347   0.9599  197.605   9.8871  206.232   13.752  188.376   14.225   39.165   1.3073   37.427   1.4150 1.737583 1.926513 
1 1 1    7    5  -38 o   89.647   1.0640  1080.03   25.620  1088.71   41.566  1074.72   32.535   89.956   1.7203   89.407   1.3548 0.5486679 2.189789 
1 1 1    7    5  -37 o   21.906   1.0383   64.485   6.1089   57.724   9.3266   69.564   8.0845   20.646   1.6969   22.709   1.3313 -2.062979 2.156782 
1 1 1    7    5  -36 o   54.984   0.7433  406.125   10.977  401.219   15.525  411.028   15.523   54.643   1.0578   55.307   1.0450 -0.6643143 1.486917 
1 1 1    7    5  -35 o   84.973   0.8931  970.017   20.382  956.391   27.310  987.149   30.623   84.362   1.2053   85.701   1.3304 -1.339668 1.795148 
1 1 1    7    5  -34 o   67.148   0.8474  605.686   15.284  615.270   21.758  596.350   21.474   67.668   1.1971   66.619   1.2001 1.048660 1.695103 
1 1 1    7    5  -33 o   74.227   0.8746  740.108   17.436  753.987   24.818  726.579   24.503   74.910   1.2335   73.536   1.2406 1.374313 1.749429 
1 1 1    7    5  -32 o  144.455   1.2176  2803.57   47.242  2827.72   73.341  2786.45   61.763  145.033   1.8827  143.992   1.5970 1.041748 2.468799 
1 1 1    7    5  -31 o  145.159   1.2193  2830.80   47.537  2858.76   67.547  2803.35   66.913  145.848   1.7243  144.428   1.7249 1.420517 2.438967 
1 1 1    7    5  -30 o  175.545   1.5652  4140.60   73.797  4155.49   95.594  4118.64  116.098  175.830   2.0242  175.012   2.4698 0.8182526 3.193315 
1 1 1    7    5  -29 o  132.973   1.3949  2375.45   49.820  2450.07   64.097  2261.55   79.182  135.031   1.7673  129.708   2.2729 5.323318 2.879093 
1 1 1    7    5  -28 o  155.524   1.5764  3249.63   65.849  3360.01   84.765  3081.65  104.573  158.124   1.9959  151.400   2.5716 6.723923 3.255224 
1 1 1    7    5  -27 o   86.061   0.8785  994.773   20.306  1008.16   27.550  978.849   30.046   86.634   1.1840   85.364   1.3105 1.270729 1.766110 
1 1 1    7    5  -26 o  317.018   2.4688 13507.51  210.211 13387.20  273.544 13681.04  328.517  315.514   3.2279  318.869   3.8358 -3.354858 5.013208 
1 1 1    7    5  -25 o  159.463   1.4356  3415.76   61.488  3457.57   87.356  3374.71   86.564  160.416   2.0275  158.482   2.0336 1.934143 2.871602 
1 1 1    7    5  -24 o  153.617   1.4662  3169.89   60.494  3043.55   79.254  3346.25   93.635  150.510   1.9605  157.808   2.2091 -7.298126 2.953589 
1 1 1    7    5  -23 o  235.829   1.9460  7471.88  123.265  7420.20  166.096  7535.24  183.907  234.973   2.6318  236.770   2.8919 -1.796646 3.910145 
1 1 1    7    5  -22 o  116.299   1.2450  1816.69   38.889  1897.11   56.005  1741.81   54.041  118.836   1.7546  113.868   1.7670 4.968201 2.490178 
1 1 1    7    5  -21 o  177.118   1.4974  4213.88   71.233  4232.28  105.906  4198.68   96.261  177.481   2.2217  176.782   2.0273 0.6988831 3.007620 
1 1 1    7    5  -20 o  239.260   1.8863  7690.37  121.220  7654.99  170.874  7726.21  171.994  238.669   2.6656  239.776   2.6706 -1.107300 3.773266 
1 1 1    7    5  -19 o  236.986   2.0465  7545.17  130.264  7520.22  167.939  7582.86  206.392  236.564   2.6431  237.510   3.2353 -0.9463043 4.177711 
1 1 1    7    5  -18 o   60.736   0.8505  495.430   13.875  514.722   19.955  477.374   19.306   61.906   1.2001   59.617   1.2057 2.288242 1.701164 
1 1 1    7    5  -17 o  216.210   1.7911  6279.33  104.011  6173.19  152.494  6371.66  142.230  214.346   2.6488  217.773   2.4316 -3.426987 3.595665 
1 1 1    7    5  -16 o  150.711   1.3593  3050.72   55.025  3123.87   78.928  2981.54   76.751  152.499   1.9270  148.984   1.9180 3.514297 2.718818 
1 1 1    7    5  -15 o  130.029   1.2049  2270.78   42.082  2193.09   53.200  2400.66   68.785  127.782   1.5501  133.688   1.9156 -5.905609 2.464218 
1 1 1    7    5  -14 f  182.651   1.4693  4480.72   72.080  4546.09  102.825  4417.56  101.071  183.969   2.0809  181.350   2.0750 2.619232 2.938699 
1 1 1    7    5  -13 o  118.306   1.1729  1879.75   37.269  1854.52   55.392  1900.62   50.377  117.506   1.7551  118.959   1.5767 -1.453011 2.359280 
1 1 1    7    5  -12 f  479.355   3.6881 30873.06  474.848 31125.78  675.365 30626.00  667.773  481.199   5.2254  477.322   5.2087 3.877380 7.378015 
1 1 1    7    5  -11 o  110.352   1.1845  1635.46   35.109  1624.85   44.063  1653.92   58.105  109.992   1.4915  110.969   1.9495 -0.9770584 2.454600 
1 1 1    7    5  -10 o  434.882   3.3510 25406.31  391.410 25265.30  551.218 25549.71  555.886  433.605   4.7330  436.038   4.7465 -2.432953 6.702991 
1 1 1    7    5   -9 o  306.786   2.6139 12641.89  215.388 12757.33  279.473 12473.02  338.018  308.165   3.3765  304.690   4.1304 3.475800 5.334853 
1 1 1    7    5   -8 o  147.137   1.8804  2907.67   74.312  2909.20  117.561  2906.64   95.901  147.166   2.9742  147.107   2.4272 0.5923462E-01 3.838848 
1 1 1    7    5   -7 o  554.916   5.2213 41381.20  778.213 39853.66  1238.71 42377.23  1000.25  544.285   8.4733  561.441   6.6330 -17.15619 10.76076 
1 1 1    7    5   -6 o  708.070   5.9461 67387.13  1130.84 66775.73  1450.34 68335.20  1806.05  704.656   7.6630  712.582   9.4363 -7.925964 12.15591 
1 1 1    7    5   -5 o  435.560   3.6751 25485.55  429.942 25426.42  554.221 25574.92  681.336  435.009   4.7434  436.220   5.8152 -1.211090 7.504440 
1 1 1    7    5   -4 o  199.027   1.7361  5320.04   92.805  5410.80  121.090  5190.83  144.478  200.712   2.2462  196.585   2.7363 4.127701 3.540127 
1 1 1    7    5   -3 o  304.495   2.5925 12453.46  212.025 12431.28  273.412 12486.91  335.817  304.208   3.3462  304.869   4.1011 -0.6602173 5.293015 
1 1 1    7    5   -2 o  342.249   2.9039 15733.67  266.939 15700.53  344.037 15783.80  423.139  341.866   3.7468  342.744   4.5964 -0.8776855 5.930046 
1 1 1    7    5   -1 o  241.624   1.8989  7841.14  123.233  7730.38  172.517  7956.53  176.093  239.902   2.6774  243.386   2.6937 -3.483536 3.797961 
1 1 1    7    5    0 o  408.724   3.4523 22440.94  378.994 22371.35  488.358 22546.31  600.947  408.053   4.4558  409.599   5.4624 -1.545868 7.049300 
1 1 1    7    5    1 o  626.128   5.8821 52690.35  989.203 52893.66  1145.25 52093.05  1962.96  627.252   6.7978  621.836   11.753 5.416321 13.57720 
1 1 1    7    5    2 o  205.196   1.9958  5655.08  109.998  5822.56  141.669  5400.86  174.548  208.206   2.5333  200.516   3.2410 7.690689 4.113584 
1 1 1    7    5    3 o  334.456   2.7067 15024.98  243.148 15206.28  331.776 14814.63  357.377  336.444   3.6715  332.074   4.0068 4.370728 5.434545 
1 1 1    7    5    4 o  153.274   1.3745  3155.14   56.584  3177.49   73.354  3122.29   88.916  153.814   1.7756  152.469   2.1712 1.344727 2.804795 
1 1 1    7    5    5 o  544.219   4.5775 39794.28  669.110 39771.03  863.531 39829.20  1058.48  543.971   5.9103  544.258   7.2408 -0.2869873 9.346714 
1 1 1    7    5    6 o  212.221   1.8424  6048.83  105.018  6069.98  135.963  6017.56  165.347  212.585   2.3812  211.659   2.9085 0.9269409 3.758916 
1 1 1    7    5    7 o  237.741   2.0489  7591.25  130.834  7517.63  167.882  7705.12  208.792  236.577   2.6420  239.499   3.2458 -2.921539 4.185135 
1 1 1    7    5    8 o  357.325   3.3856 17151.96  324.928 17408.40  463.653 16904.48  455.491  359.934   4.7960  354.687   4.7813 5.247131 6.772146 
1 1 1    7    5    9 o  272.306   2.7862  9960.14  203.781  9628.81  304.426 10229.14  274.302  267.703   4.2339  275.937   3.7011 -8.234406 5.623470 
1 1 1    7    5   10 o  530.649   4.4664 37837.37  636.594 37278.27  891.807 38418.23  908.997  526.568   6.3056  534.556   6.3311 -7.988098 8.935473 
1 1 1    7    5   11 o  440.857   3.3957 26110.28  402.087 25930.13  565.989 26293.84  571.321  439.256   4.7973  442.325   4.8089 -3.069153 6.792631 
1 1 1    7    5   12 f  339.664   2.6324 15497.62  240.160 15781.21  343.553 15226.61  335.852  342.716   3.7322  336.641   3.7144 6.075073 5.265565 
1 1 1    7    5   13 o  275.385   2.1517 10186.45  159.150 10157.41  224.657 10215.70  225.490  274.967   3.0419  275.755   3.0445 -0.7877502 4.303723 
1 1 1    7    5   14 f  271.399   2.1226  9893.96  154.728  9772.20  217.000 10019.88  220.682  269.697   2.9957  273.092   3.0086 -3.395844 4.245671 
1 1 1    7    5   15 o  250.133   1.9646  8404.17  131.986  8433.56  187.003  8375.00  186.312  250.544   2.7789  249.673   2.7783 0.8712921 3.929518 
1 1 1    7    5   16 o  316.310   2.5694 13442.02  218.294 13588.14  297.565 13271.74  321.220  317.970   3.4842  314.223   3.8060 3.746490 5.159999 
1 1 1    7    5   17 o  364.295   2.9457 17833.58  288.229 17783.86  389.418 17893.82  428.633  363.693   3.9865  364.773   4.3749 -1.080109 5.918793 
1 1 1    7    5   18 o  198.368   1.7388  5285.80   92.641  5351.88  120.357  5189.73  145.119  199.587   2.2451  196.521   2.7493 3.066757 3.549560 
1 1 1    7    5   19 o   72.269   1.0528  701.468   20.435  687.551   24.901  730.174   35.762   71.547   1.2958   73.726   1.8060 -2.179115 2.222750 
1 1 1    7    5   20 o  168.425   1.5819  3810.47   71.561  3719.73  105.866  3886.81   97.106  166.383   2.3689  170.088   2.1256 -3.704605 3.182771 
1 1 1    7    5   21 o  294.208   2.2962 11630.43  181.449 11724.91  257.909 11537.84  255.325  295.324   3.2514  292.959   3.2448 2.364777 4.593569 
1 1 1    7    5   22 o  250.350   1.9697  8420.32  132.444  8517.60  188.666  8325.79  185.970  251.743   2.7903  248.893   2.7819 2.850128 3.940108 
1 1 1    7    5   23 o  105.200   0.9881  1486.42   27.918  1490.44   41.471  1483.09   37.755  105.336   1.4658  105.078   1.3377 0.2580872 1.984484 
1 1 1    7    5   24 o   34.462   0.8496  159.503   7.8643  154.900   14.549  161.403   9.3476   33.957   1.5952   34.666   1.0039 -0.7084541 1.884783 
1 1 1    7    5   25 o  136.661   1.6302  2508.93   59.836  2493.60   84.447  2524.38   84.797  136.221   2.3081  137.059   2.3035 -0.8383179 3.260843 
1 1 1    7    5   26 o   71.729   0.8552  691.025   16.476  718.798   31.079  680.168   19.432   73.148   1.5819   71.162   1.0167 1.985909 1.880414 
1 1 1    7    5   27 o  122.897   1.0658  2028.68   35.180  2067.17   50.240  1991.64   49.280  124.047   1.5079  121.760   1.5069 2.287201 2.131745 
1 1 1    7    5   28 o   33.203   1.2444  148.088   11.098  130.071   14.892  170.591   16.643   31.062   1.7926   35.632   1.7390 -4.570456 2.497513 
1 1 1    7    5   29 o  129.304   1.1113  2245.87   38.596  2244.73   54.503  2247.02   54.664  129.256   1.5699  129.322   1.5738 -0.6594849E-01 2.222909 
1 1 1    7    5   30 o  154.052   1.4027  3188.42   58.040  3150.51   74.365  3247.49   92.837  153.112   1.8083  155.424   2.2239 -2.311249 2.866282 
1 1 1    7    5   31 o   29.421   1.1147  116.285   8.8084  101.378   10.587  149.817   15.878   27.430   1.4420   33.340   1.7796 -5.909607 2.290492 
1 1 1    7    5   32 o  164.217   1.4100  3623.61   62.189  3573.63   77.400  3714.67  104.463  163.054   1.7673  166.185   2.3403 -3.131042 2.932683 
1 1 1    7    5   33 o   92.266   1.0198  1143.67   25.273  1140.14   31.015  1150.66   43.600   92.116   1.2536   92.516   1.7546 -0.4006577 2.156395 
1 1 1    7    5   34 o  148.066   1.2420  2946.02   49.394  2948.63   69.858  2943.41   69.849  148.087   1.7563  147.956   1.7577 0.1314087 2.484770 
1 1 1    7    5   35 o  133.826   1.1485  2406.59   41.283  2415.79   58.521  2397.48   58.246  134.042   1.6255  133.533   1.6240 0.5088043 2.297721 
1 1 1    7    5   36 o   19.727   1.0999   52.458   5.8045   45.967   7.5696   61.722   9.0430   18.425   1.5438   21.366   1.5871 -2.940584 2.214128 
1 1 1    7    5   37 o   64.278   0.9400  555.147   16.229  566.138   23.331  544.843   22.590   64.895   1.3386   63.663   1.3211 1.231365 1.880711 
1 1 1    7    5   38 o  147.249   1.3000  2914.89   51.413  2861.69   75.583  2960.70   70.141  145.808   1.9300  148.337   1.7605 -2.529297 2.612283 
1 1 1    7    5   39 o   19.863   1.1571   53.215   6.1466   46.426   9.2602   58.563   8.2181   18.474   1.8929   20.815   1.4796 -2.340014 2.402582 
1 1 1    7    5   40 o  123.199   1.1305  2040.34   37.409  2052.83   55.462  2029.92   50.671  123.504   1.6719  122.834   1.5359 0.6706924 2.270299 
1 1 1    7    5   41 o   97.494   0.9748  1277.54   25.525  1279.06   34.670  1275.74   37.718   97.518   1.3237   97.377   1.4421 0.1404953 1.957479 
1 1 1    7    5   42 o   50.548   0.8132  343.361   11.041  333.978   16.277  351.359   15.027   49.832   1.2161   51.119   1.0944 -1.287468 1.636051 
1 1 1    7    5   43 o   67.242   0.8448  607.728   15.259  599.302   20.433  618.351   22.942   66.752   1.1397   67.793   1.2600 -1.041153 1.698914 
1 1 1    7    5   44 o   37.806   0.8993  192.153   9.1314  187.953   13.121  196.097   12.716   37.368   1.3073   38.174   1.2402 -0.8053246 1.801973 
1 1 1    7    5   45 o   21.884   1.1092   64.594   6.4983   70.894   9.1434   58.164   9.2373   22.890   1.4954   20.702   1.6756 2.188328 2.245884 
1 1 1    7    5   46 o   15.898   1.4220   34.321   6.0080   39.055   8.7059   30.016   8.3016   16.892   1.9550   14.744   2.1604 2.148293 2.913651 
1 1 1    7    5   47 o   41.897   0.8815  236.042   9.9192  231.117   14.985  239.883   13.233   41.422   1.3469   42.216   1.1671 -0.7940369 1.782210 
1 1 1    7    5   48 o   45.994   0.8257  284.447   10.200  290.603   14.555  278.506   14.298   46.461   1.1664   45.483   1.1704 0.9776421 1.652328 
1 1 1    7    5   49 o   53.963   0.8194  391.581   11.876  392.905   16.784  390.253   16.805   54.019   1.1568   53.835   1.1622 0.1833191 1.639816 
1 1 1    7    5   50 o   14.506   1.8630   28.930   7.0909   32.718   9.3847   23.891   10.825   15.346   2.3518   12.947   3.1443 2.399397 3.926518 
1 1 1    7    5   51 o   11.617   2.6990   19.163   8.2608   27.471   13.183   13.791   10.600   13.835   3.5348   10.187   3.3485 3.647951 4.868976 
1 1 1    7    5   52 o   49.119   0.8490  324.623   11.201  321.741   15.827  327.515   15.854   48.855   1.2062   49.292   1.1975 -0.4378052 1.699668 
1 1 1    7    5   53 o   7.5551   2.7972   6.1732   7.5312   5.9792   10.615   6.3699   10.686   8.3371   3.2633   8.4382   3.2822 -0.1010962 4.628403 
1 1 1    7    5   54 o   21.488   1.4059   62.610   8.0697   68.175   11.344   56.910   11.482   22.340   1.9089   20.352   2.1321 1.988573 2.861780 
1 1 1    7    5   55 o   9.2028   2.6808   11.838   7.0303   11.365   10.120   12.278   9.7739   9.4711   3.2721   9.6540   3.2174 -0.1828575 4.588895 
1 1 1    7    5   56 o   30.191   1.1634  122.915   9.4340  120.235   14.272  124.994   12.572   29.723   1.7961   30.359   1.5469 -0.6357555 2.370485 
1 1 1    7    5   57 o   49.873   0.9019  334.968   12.082  339.337   17.097  330.609   17.075   50.129   1.2698   49.477   1.2849 0.6521530 1.806492 
1 1 1    7    5   58 o   13.947   2.0418   27.090   7.4219   19.735   10.296   35.044   10.708   11.691   3.1901   15.743   2.6248 -4.051867 4.131121 
1 1 1    7    5   59 o   27.313   1.2518  100.939   9.1835   83.691   13.861  114.434   12.260   24.615   2.1172   28.975   1.5814 -4.360750 2.642577 
1 1 1    7    5   60 o   11.445   2.9114   19.124   8.9710   23.963   11.636   12.032   14.086   12.725   3.3563   10.118   3.8098 2.606222 5.077297 
1 1 1    7    5   61 o   7.1120   3.0314   1.0004   10.192   1.4658   17.058   0.7421   12.709   8.9833   3.8769   7.8037   3.3571 1.179562 5.128411 
1 1 1    7    5   62 o   9.2981   3.0379   12.241   8.7298   10.514   12.213   14.044   12.483   9.3672   3.5427   10.163   3.6242 -0.7956219 5.068102 
1 1 1    7    6  -62 o   35.137   1.6756  169.705   15.813  170.100   31.631  169.573   18.259   33.732   3.5442   34.931   1.9539 -1.198380 4.047113 
1 1 1    7    6  -61 o   33.632   1.3007  153.755   11.750  162.885   17.169  145.711   16.115   34.351   1.8678   32.491   1.8543 1.860111 2.631920 
1 1 1    7    6  -60 o   7.2116   2.8345   4.6569   8.0370   14.312   11.045  -6.2073   11.717   10.166   3.4203   6.5799   2.9995 3.586049 4.549220 
1 1 1    7    6  -59 o   40.539   1.1168  222.132   12.161  241.976   17.885  205.070   16.584   42.175   1.5788   38.822   1.5904 3.352951 2.241018 
1 1 1    7    6  -58 o   23.411   1.4359   74.540   8.9854   84.742   12.188   62.391   13.300   24.872   1.8374   21.171   2.3802 3.701790 3.006866 
1 1 1    7    6  -57 o   57.746   0.9835  449.410   15.254  448.769   22.041  449.998   21.132   57.593   1.4248   57.689   1.3638 -0.9672546E-01 1.972365 
1 1 1    7    6  -56 f   16.873   1.7655   39.026   7.8829   42.553   10.972   35.263   11.334   17.486   2.3993   15.795   2.7726 1.691093 3.666647 
1 1 1    7    6  -55 o   52.465   0.9279  370.589   13.075  372.728   18.541  368.473   18.441   52.550   1.3137   52.249   1.3140 0.3008957 1.858067 
1 1 1    7    6  -54 o   54.088   0.8713  393.714   12.658  412.774   18.044  375.245   17.763   55.326   1.2143   52.744   1.2538 2.582214 1.745452 
1 1 1    7    6  -53 o   31.081   1.0936  130.164   9.1299  134.472   14.061  127.025   12.005   31.479   1.6690   30.665   1.4575 0.8143082 2.215861 
1 1 1    7    6  -52 o   28.725   1.1758  111.225   9.0715  114.405   11.891  106.797   14.031   29.057   1.5290   28.007   1.8761 1.049667 2.420234 
1 1 1    7    6  -51 o   31.436   0.9701  133.031   8.1912  142.501   11.779  124.163   11.398   32.500   1.3494   30.331   1.3991 2.168272 1.943841 
1 1 1    7    6  -50 o   36.284   0.8925  177.128   8.6975  178.441   12.411  175.861   12.192   36.384   1.2700   36.121   1.2567 0.2625885 1.786671 
1 1 1    7    6  -49 o   9.9581   2.6265   13.993   7.1261   13.058   10.111   14.915   10.045   9.9460   3.2705   10.439   3.2420 -0.4928732 4.605007 
1 1 1    7    6  -48 o   37.659   0.8637  190.729   8.7363  193.876   12.359  187.586   12.351   37.943   1.2127   37.320   1.2322 0.6222839 1.728849 
1 1 1    7    6  -47 o   22.307   1.1576   67.163   6.9119   56.808   9.6894   77.893   9.8628   20.434   1.7833   23.985   1.5391 -3.551098 2.355642 
1 1 1    7    6  -46 o   56.140   0.7590  423.654   11.444  418.172   16.877  428.321   15.571   55.744   1.1272   56.426   1.0274 -0.6822433 1.525207 
1 1 1    7    6  -45 o   25.424   1.1352   86.981   7.7520   87.120   12.314   86.890   9.9771   25.341   1.8213   25.352   1.4716 -0.1071167E-01 2.341515 
1 1 1    7    6  -44 o   51.857   0.9815  361.634   13.671  355.070   19.581  367.875   19.095   51.346   1.4198   52.270   1.3601 -0.9237747 1.966138 
1 1 1    7    6  -43 o  107.850   0.9993  1564.05   28.948  1565.33   40.943  1562.77   40.934  107.826   1.4137  107.738   1.4145 0.8824921E-01 1.999897 
1 1 1    7    6  -42 f   39.957   0.8326  214.577   8.9356  215.510   12.230  213.509   13.087   40.031   1.1375   39.840   1.2230 0.1906891 1.670225 
1 1 1    7    6  -41 o   29.848   0.9179  119.744   7.3588  131.273   9.8733  105.335   11.038   31.244   1.1765   27.939   1.4761 3.305719 1.887621 
1 1 1    7    6  -40 f   41.159   0.8319  227.632   9.1962  232.771   13.868  223.599   12.286   41.606   1.2410   40.783   1.1216 0.8231850 1.672743 
1 1 1    7    6  -39 o   91.960   0.9404  1136.42   23.228  1120.95   31.060  1156.04   34.987   91.308   1.2665   92.713   1.4050 -1.405548 1.891563 
1 1 1    7    6  -38 o  135.196   1.1613  2456.85   42.170  2425.89   59.215  2488.70   60.069  134.282   1.6418  136.009   1.6443 -1.726913 2.323649 
1 1 1    7    6  -37 o   60.526   0.9015  492.213   14.655  514.080   23.822  478.899   18.589   61.832   1.4344   59.692   1.1594 2.140404 1.844418 
1 1 1    7    6  -36 o  103.836   0.9596  1448.70   26.762  1474.29   38.137  1423.86   37.564  104.723   1.3559  102.916   1.3589 1.806740 1.919633 
1 1 1    7    6  -35 o   99.690   0.9326  1335.22   24.970  1383.25   35.905  1290.24   34.750  101.445   1.3177   97.975   1.3205 3.470200 1.865537 
1 1 1    7    6  -34 o  101.195   1.0773  1375.95   29.282  1414.74   44.504  1346.34   38.884  102.579   1.6153  100.080   1.4465 2.499016 2.168322 
1 1 1    7    6  -33 o  183.766   1.6349  4539.73   80.697  4577.92  114.598  4502.17  113.654  184.445   2.3132  182.913   2.3134 1.532303 3.271517 
1 1 1    7    6  -32 o  128.745   1.2156  2227.05   42.037  2175.54   58.670  2281.39   60.259  127.217   1.7170  130.275   1.7221 -3.057762 2.431865 
1 1 1    7    6  -31 o   70.408   0.9065  665.901   17.144  669.725   30.475  664.130   20.736   70.593   1.6073   70.311   1.0980 0.2821808 1.946508 
1 1 1    7    6  -30 o  155.406   1.2895  3244.67   53.824  3237.23   75.942  3252.18   76.297  155.198   1.8218  155.555   1.8261 -0.3576355 2.579496 
1 1 1    7    6  -29 o  284.843   2.4448 10909.58  187.040 10669.32  260.852 11163.83  268.336  281.517   3.4498  287.964   3.4694 -6.446198 4.892616 
1 1 1    7    6  -28 o  202.587   1.8758  5515.18  102.069  5440.17  123.943  5673.25  179.923  201.173   2.2938  205.337   3.2623 -4.164291 3.988037 
1 1 1    7    6  -27 o   22.616   1.1243   68.701   6.8292   75.550   11.119   64.552   8.6540   23.647   1.7633   21.870   1.4820 1.776766 2.303352 
1 1 1    7    6  -26 o  164.210   1.3469  3622.24   59.406  3571.37   83.244  3675.02   84.802  163.032   1.9010  165.381   1.9091 -2.348511 2.694167 
1 1 1    7    6  -25 f   81.629   0.8959  894.944   19.643  898.539   25.330  889.519   31.111   81.790   1.1530   81.375   1.4234 0.4152527 1.831828 
1 1 1    7    6  -24 o   90.882   0.9449  1109.34   23.065  1138.39   36.596  1090.19   29.709   92.057   1.4801   90.091   1.2278 1.965927 1.923021 
1 1 1    7    6  -23 o  419.629   3.5507 23681.48  400.191 23462.01  628.587 23831.07  518.952  417.239   5.6090  420.752   4.5921 -3.513489 7.249035 
1 1 1    7    6  -22 o  277.945   2.5124 10381.81  187.563 10628.19  255.263 10092.68  276.517  281.147   3.3804  273.934   3.7582 7.213776 5.054821 
1 1 1    7    6  -21 o  248.287   2.2571  8283.16  150.518  8448.22  228.457  8156.55  200.083  250.666   3.3933  246.331   3.0241 4.335266 4.545281 
1 1 1    7    6  -20 o   99.541   1.0433  1330.79   27.893  1384.44   42.515  1290.24   36.960  101.521   1.5592   98.008   1.4040 3.512421 2.098180 
1 1 1    7    6  -19 o  132.988   1.1745  2375.45   41.951  2364.32   56.621  2388.99   62.464  132.669   1.5890  133.356   1.7439 -0.6872101 2.359259 
1 1 1    7    6  -18 o   50.303   0.7607  339.845   10.278  344.816   13.968  333.976   15.178   50.669   1.0264   49.866   1.1332 0.8032913 1.528919 
1 1 1    7    6  -17 o  201.861   1.6104  5473.46   87.313  5389.96  122.281  5560.31  124.712  200.294   2.2730  203.434   2.2824 -3.140198 3.221169 
1 1 1    7    6  -16 o   31.930   0.6888  136.922   5.9074  145.478   8.6191  129.343   8.1124   32.912   0.9750   31.033   0.9733 1.878811 1.377663 
1 1 1    7    6  -15 o  477.010   3.6721 30584.81  470.471 30775.75  667.952 30396.82  662.772  478.281   5.1996  475.329   5.1913 2.952240 7.347495 
1 1 1    7    6  -14 o  358.524   2.7756 17270.06  267.279 17150.66  376.265 17391.68  379.738  357.203   3.9218  359.704   3.9305 -2.500488 5.552416 
1 1 1    7    6  -13 o  235.488   1.8556  7448.63  117.367  7492.83  166.600  7405.08  165.371  236.165   2.6264  234.778   2.6225 1.386902 3.711534 
1 1 1    7    6  -12 o  136.305   1.1412  2495.24   41.778  2476.54   58.783  2514.33   59.389  135.790   1.6117  136.822   1.6161 -1.032288 2.282393 
1 1 1    7    6  -11 o  281.242   2.1947 10624.43  165.789 10668.31  235.076 10581.00  233.850  281.796   3.1059  280.641   3.1024 1.155243 4.389894 
1 1 1    7    6  -10 o  437.054   3.3687 25662.78  395.447 25558.65  557.230 25768.43  561.285  436.081   4.7575  437.866   4.7725 -1.784851 6.738740 
1 1 1    7    6   -9 o  628.597   4.8241 53103.88  814.486 52212.83  1137.76 54040.49  1166.49  623.076   6.7986  633.880   6.8515 -10.80408 9.652101 
1 1 1    7    6   -8 o  309.492   2.5133 12865.96  208.920 13150.95  286.905 12544.27  304.825  312.877   3.4141  305.565   3.7141 7.311554 5.044843 
1 1 1    7    6   -7 o  511.872   4.5427 35207.28  624.545 35367.95  939.492 35080.05  836.017  512.856   6.8203  510.830   6.0932 2.025513 9.145719 
1 1 1    7    6   -6 o  307.295   2.9262 12684.42  241.520 12332.74  474.174 12807.62  280.655  302.903   5.8283  308.772   3.3841 -5.868469 6.739525 
1 1 1    7    6   -5 o  685.859   5.2567 63217.91  968.369 62659.82  1361.29 63789.63  1377.82  682.584   7.4251  688.708   7.4484 -6.123169 10.51720 
1 1 1    7    6   -4 o  121.161   1.0792  1971.52   35.119  1999.71   47.970  1938.95   51.556  122.023   1.4636  120.154   1.5975 1.868591 2.166633 
1 1 1    7    6   -3 o  203.483   1.6181  5560.90   88.436  5613.56  125.815  5509.48  124.334  204.437   2.2913  202.533   2.2856 1.904144 3.236360 
1 1 1    7    6   -2 o  333.906   2.5882 14975.49  232.124 14862.40  326.655 15090.85  329.916  332.616   3.6564  335.162   3.6649 -2.546387 5.176920 
1 1 1    7    6   -1 o  283.617   2.4231 10804.08  184.583 10837.29  238.803 10754.79  290.926  284.039   3.1302  282.939   3.8282 1.099915 4.945038 
1 1 1    7    6    0 o  680.121   5.7107 62169.66  1043.20 62138.13  1346.26 62217.05  1650.38  679.770   7.3735  679.976   9.0364 -0.2067261 11.66301 
1 1 1    7    6    1 o  510.883   4.3013 35067.16  590.218 34625.32  755.565 35758.86  945.361  507.579   5.5421  515.721   6.8248 -8.142090 8.791654 
1 1 1    7    6    2 o  472.056   3.9781 29937.66  504.385 29960.35  651.412 29903.70  797.036  472.174   5.1364  471.652   6.2916 0.5227051 8.122054 
1 1 1    7    6    3 o  636.328   5.0965 54413.08  871.058 54298.04  1177.82 54551.95  1294.09  635.486   6.9005  636.894   7.5650 -1.408569 10.23943 
1 1 1    7    6    4 o  544.307   4.1796 39805.27  611.042 39818.06  864.336 39792.48  863.953  544.276   5.9125  544.101   5.9118 0.1748047 8.361039 
1 1 1    7    6    5 o  271.858   2.1235  9926.53  155.052 10004.70  220.383  9849.90  218.186  272.911   3.0065  270.791   2.9999 2.119415 4.247158 
1 1 1    7    6    6 o   59.366   0.8281  473.312   13.205  478.621   18.886  468.234   18.470   59.698   1.1778   59.046   1.1646 0.6512527 1.656400 
1 1 1    7    6    7 o  189.593   1.7530  4827.76   89.267  4762.13  153.319  4861.42  109.797  188.285   3.0317  190.249   2.1487 -1.964630 3.715945 
1 1 1    7    6    8 o  500.550   4.0201 33663.75  540.481 34332.66  741.541 32905.68  789.414  505.398   5.4627  494.744   5.9406 10.65381 8.070464 
1 1 1    7    6    9 o  244.388   1.9205  8021.83  126.060  8008.84  178.018  8034.90  178.533  244.176   2.7144  244.573   2.7178 -0.3967590 3.841130 
1 1 1    7    6   10 o  284.372   2.2183 10862.00  169.432 11032.99  242.080 10697.80  237.219  286.577   3.1450  282.190   3.1298 4.386322 4.436987 
1 1 1    7    6   11 o  190.121   1.6671  4854.77   85.129  4959.34  121.945  4755.38  118.894  192.147   2.3629  188.154   2.3526 3.992508 3.334367 
1 1 1    7    6   12 o  125.679   1.3062  2121.39   44.094  2097.25   55.367  2163.24   72.910  124.959   1.6496  126.905   2.1390 -1.945282 2.701251 
1 1 1    7    6   13 o  145.271   1.4704  2834.46   57.372  2783.18   92.288  2866.75   73.246  143.939   2.3871  146.092   1.8667 -2.153244 3.030309 
1 1 1    7    6   14 o  390.815   3.0195 20522.72  316.954 20618.98  449.742 20427.74  446.755  391.627   4.2756  389.807   4.2670 1.819611 6.040580 
1 1 1    7    6   15 o  323.185   2.5103 14032.89  217.907 14371.40  313.029 13714.61  303.526  326.991   3.5642  319.433   3.5377 7.557343 5.021823 
1 1 1    7    6   16 o  152.428   1.2554  3120.62   51.396  3134.15   72.814  3107.19   72.556  152.749   1.7748  152.090   1.7762 0.6584473 2.510902 
1 1 1    7    6   17 o  138.816   1.2143  2588.20   45.273  2696.87   68.661  2504.61   60.219  141.690   1.8042  136.549   1.6419 5.140686 2.439447 
1 1 1    7    6   18 o  267.627   2.4200  9624.01  173.956  9614.94  212.983  9642.19  301.499  267.465   2.9647  267.736   4.1926 -0.2709045 5.134955 
1 1 1    7    6   19 o  256.013   2.2035  8806.24  151.517  8697.86  193.871  8976.34  242.870  254.394   2.8374  258.382   3.4996 -3.988235 4.505315 
1 1 1    7    6   20 o  189.509   1.5908  4824.28   80.973  4806.46  109.372  4845.88  120.454  189.139   2.1529  189.904   2.3615 -0.7651825 3.195620 
1 1 1    7    6   21 o  128.978   1.2664  2234.41   43.870  2289.62   59.736  2169.76   64.637  130.553   1.7035  127.085   1.8936 3.467545 2.547131 
1 1 1    7    6   22 o   26.190   0.8388   92.126   5.9004   91.971   8.8526   92.249   7.9147   26.167   1.2596   26.207   1.1244 -0.4004860E-01 1.688426 
1 1 1    7    6   23 o   50.596   1.0350  343.836   14.066  371.930   22.167  324.899   18.199   52.619   1.5685   49.181   1.3777 3.437691 2.087620 
1 1 1    7    6   24 o  312.967   2.6700 13165.33  224.437 13073.00  353.145 13227.89  290.695  311.668   4.2186  313.620   3.4510 -1.951630 5.450309 
1 1 1    7    6   25 f  139.365   1.4320  2609.06   53.604  2629.46   76.014  2588.88   75.602  139.890   2.0231  138.806   2.0278 1.083832 2.864433 
1 1 1    7    6   26 o  204.252   1.8879  5605.53  103.570  5703.17  140.472  5489.23  153.309  205.980   2.5390  202.058   2.8249 3.922546 3.798252 
1 1 1    7    6   27 o   63.423   0.8638  540.266   14.714  515.874   25.224  552.848   18.116   61.967   1.5155   64.155   1.0513 -2.188366 1.844448 
1 1 1    7    6   28 o  170.192   1.5286  3891.58   69.877  3946.52  111.228  3855.75   89.814  171.335   2.4170  169.383   1.9741 1.951996 3.120754 
1 1 1    7    6   29 o   73.439   1.0653  724.468   21.013  692.524   26.933  774.154   33.591   71.796   1.3967   75.903   1.6476 -4.107559 2.159966 
1 1 1    7    6   30 o   19.615   1.0285   51.827   5.4001   58.132   7.6155   45.451   7.6583   20.755   1.3738   18.324   1.5712 2.431263 2.087158 
1 1 1    7    6   31 o   88.572   1.2340  1054.00   29.357  1068.89   41.204  1038.64   41.837   89.178   1.7202   87.905   1.7720 1.273331 2.469642 
1 1 1    7    6   32 o   90.845   0.9618  1108.65   23.468  1113.11   30.247  1101.89   37.201   91.019   1.2372   90.547   1.5296 0.4719543 1.967378 
1 1 1    7    6   33 o  128.503   1.1113  2218.66   38.355  2171.42   53.551  2268.43   54.961  127.098   1.5687  129.906   1.5752 -2.807564 2.223047 
1 1 1    7    6   34 o   65.121   0.7675  569.652   13.423  586.260   19.158  553.635   18.814   66.055   1.0798   64.190   1.0912 1.864624 1.535187 
1 1 1    7    6   35 o   81.346   0.8360  888.967   18.266  903.441   26.056  874.979   25.615   81.991   1.1832   80.690   1.1819 1.301804 1.672362 
1 1 1    7    6   36 o   54.853   0.7463  404.199   10.995  399.070   15.449  409.463   15.650   54.495   1.0555   55.200   1.0556 -0.7050858 1.492766 
1 1 1    7    6   37 o   89.193   0.9526  1068.95   22.821  1069.19   32.304  1068.71   32.245   89.178   1.3487   89.158   1.3465 0.1973724E-01 1.905764 
1 1 1    7    6   38 o   72.414   0.9331  704.628   18.149  723.801   27.070  688.973   24.461   73.368   1.3737   71.588   1.2722 1.780602 1.872285 
1 1 1    7    6   39 o   24.658   1.0095   81.717   6.6860   76.261   10.240   85.772   8.8276   23.752   1.6146   25.222   1.3075 -1.470118 2.077669 
1 1 1    7    6   40 f   74.097   0.8990  737.834   17.892  740.730   28.184  735.878   23.158   74.206   1.4140   73.982   1.1654 0.2237930 1.832403 
1 1 1    7    6   41 o   55.541   0.7739  414.518   11.545  418.273   16.403  410.832   16.252   55.776   1.0949   55.278   1.0946 0.4982910 1.548242 
1 1 1    7    6   42 f   43.480   0.8552  254.093   9.9879  255.292   12.853  252.264   15.870   43.571   1.0982   43.296   1.3647 0.2748528 1.751706 
1 1 1    7    6   43 o   77.763   0.9700  813.052   20.260  801.718   27.266  827.022   30.273   77.180   1.3153   78.372   1.4381 -1.191826 1.948883 
1 1 1    7    6   44 o   56.671   0.8848  431.774   13.468  433.969   19.170  429.635   18.926   56.783   1.2569   56.499   1.2472 0.2832680 1.770683 
1 1 1    7    6   45 o   29.249   1.0293  115.073   8.0860  109.615   11.509  120.394   11.363   28.480   1.5100   29.895   1.4151 -1.415289 2.069420 
1 1 1    7    6   46 o   32.097   0.9681  138.566   8.3457  133.859   11.945  143.055   11.665   31.520   1.4109   32.591   1.3326 -1.070425 1.940769 
1 1 1    7    6   47 o   29.161   0.9838  114.393   7.7055  114.646   10.926  114.143   10.869   29.168   1.3946   29.105   1.3904 0.6373024E-01 1.969285 
1 1 1    7    6   48 o   45.803   0.8231  282.098   10.126  280.489   14.405  283.669   14.236   45.641   1.1751   45.901   1.1547 -0.2600517 1.647459 
1 1 1    7    6   49 o   17.542   1.3743   41.741   6.4233   35.851   8.9647   47.954   9.2081   16.129   2.1208   18.740   1.8537 -2.611183 2.816744 
1 1 1    7    6   50 o   34.827   1.0333  163.293   9.6654  171.632   13.848  155.373   13.497   35.663   1.4457   33.928   1.4811 1.735271 2.069692 
1 1 1    7    6   51 o   56.101   0.8884  423.523   13.387  428.688   17.961  417.068   20.079   56.399   1.1857   55.601   1.3445 0.7978363 1.792642 
1 1 1    7    6   52 o   31.066   1.1401  130.059   9.5131  128.819   13.664  131.225   13.253   30.814   1.6570   31.114   1.5912 -0.2993431 2.297278 
1 1 1    7    6   53 o   39.971   0.9370  215.083   10.060  208.938   13.716  222.236   14.799   39.352   1.2977   40.576   1.3579 -1.224087 1.878284 
1 1 1    7    6   54 o   18.634   1.4808   47.210   7.3502   31.827   10.256   63.451   10.539   15.041   2.6348   21.558   1.8376 -6.517321 3.212296 
1 1 1    7    6   55 o   25.796   1.2605   89.781   8.7336   90.921   12.673   88.749   12.053   25.829   1.8388   25.531   1.7685 0.2978802 2.551262 
1 1 1    7    6   56 f   20.461   1.4743   56.901   8.0480   68.148   11.184   44.822   11.590   22.323   1.8828   17.936   2.4716 4.387379 3.107045 
1 1 1    7    6   57 o   42.563   0.9542  244.101   10.908  246.553   15.286  241.556   15.571   42.708   1.3326   42.265   1.3717 0.4431000 1.912402 
1 1 1    7    6   58 o   31.121   1.1856  130.865   9.9099  127.304   14.962  133.649   13.227   30.512   1.8342   31.339   1.5764 -0.8260880 2.418585 
1 1 1    7    6   59 o   30.937   1.2528  129.584   10.410  102.084   14.297  160.623   15.189   27.231   1.9679   34.343   1.6466 -7.111256 2.565973 
1 1 1    7    6   60 o   6.4028   2.7059   1.0080   8.0039  -2.8999   11.585   4.5773   11.071   6.9677   3.0947   8.0299   3.2680 -1.062225 4.500795 
1 1 1    7    6   61 o   12.000   2.9916   21.340   9.6086   25.893   12.239   14.025   15.512   13.101   3.4359   10.595   3.9961 2.505519 5.270112 
1 1 1    7    6   62 o   20.581   1.8560   58.952   10.149   56.127   15.255   61.197   13.594   19.545   3.0019   20.688   2.4970 -1.142998 3.904653 
1 1 1    7    7    0 o  120.788   1.7911  1959.43   58.109  1958.61   82.172  1960.24   82.185  120.760   2.5334  120.810   2.5328 -0.4994965E-01 3.582355 
1 1 1    7    7    1 o  228.458   1.8022  7009.92  110.585  7009.70  156.371  7010.14  156.412  228.444   2.5485  228.451   2.5491 -0.7095337E-02 3.604540 
1 1 1    7    7    2 o  417.748   3.5281 23444.67  395.864 23137.97  506.641 23925.41  634.302  414.958   4.5457  421.897   5.5975 -6.938202 7.210842 
1 1 1    7    7    3 o  149.223   1.3467  2990.58   53.976  2958.07   69.185  3041.14   86.281  148.407   1.7357  150.473   2.1348 -2.065887 2.751379 
1 1 1    7    7    4 o  379.741   3.2140 19371.76  327.815 19408.70  423.741 19316.70  517.344  380.064   4.1510  379.114   5.0806 0.9500427 6.560760 
1 1 1    7    7    5 o  377.031   3.5684 19097.95  361.359 19143.19  723.817 19082.93  417.050  377.256   7.1433  376.859   4.1202 0.3973999 8.246408 
1 1 1    7    7    6 o  208.664   1.9130  5848.02  107.213  5752.40  159.091  5927.58  145.116  206.936   2.8623  210.069   2.5719 -3.132736 3.848082 
1 1 1    7    7    7 o  279.649   2.1829 10504.14  163.964 10491.41  231.630 10516.93  232.130  279.457   3.0859  279.796   3.0889 -0.3395691 4.366243 
1 1 1    7    7    8 o  257.146   2.0160  8881.52  139.242  8853.08  196.387  8910.27  197.453  256.714   2.8482  257.542   2.8545 -0.8276978 4.032398 
1 1 1    7    7    9 o  312.484   2.4293 13116.71  203.891 13097.13  287.834 13136.44  288.858  312.213   3.4324  312.681   3.4395 -0.4678040 4.859156 
1 1 1    7    7   10 o  626.907   4.8116 52835.88  810.184 52354.76  1138.29 53329.88  1153.41  623.718   6.7947  629.494   6.8218 -5.776306 9.628355 
1 1 1    7    7   11 o  191.018   1.5299  4900.75   78.491  4933.59  111.393  4868.37  110.618  191.645   2.1640  190.374   2.1633 1.270996 3.059921 
1 1 1    7    7   12 o  187.780   1.5066  4736.05   75.988  4722.50  107.243  4749.72  107.684  187.499   2.1295  188.038   2.1321 -0.5394592 3.013439 
1 1 1    7    7   13 o  129.291   1.0945  2245.07   38.007  2259.45   53.904  2230.85   53.597  129.699   1.5474  128.876   1.5484 0.8235016 2.189020 
1 1 1    7    7   14 o  355.273   2.7518 16960.03  262.582 16817.07  369.406 17106.03  373.320  353.675   3.8887  356.699   3.8966 -3.024719 5.505067 
1 1 1    7    7   15 o  122.892   1.0521  2028.37   34.726  2070.85   49.601  1987.53   48.634  124.166   1.4873  121.643   1.4886 2.523582 2.104240 
1 1 1    7    7   16 o  140.585   1.1732  2654.57   44.302  2701.73   63.289  2609.28   62.033  141.820   1.6615  139.372   1.6571 2.447418 2.346640 
1 1 1    7    7   17 o  225.589   1.9542  6836.90  118.407  6808.84  152.523  6879.45  187.846  225.098   2.5227  226.226   3.0915 -1.128830 3.990178 
1 1 1    7    7   18 o  510.697   3.9308 35079.63  539.190 34759.62  757.994 35407.43  767.147  507.974   5.5556  512.681   5.5711 -4.707367 7.867768 
1 1 1    7    7   19 o  122.901   1.2973  2028.83   42.825  1993.46   53.488  2091.98   71.477  121.819   1.6347  124.781   2.1327 -2.961899 2.687136 
1 1 1    7    7   20 o  326.668   3.1108 14345.50  272.943 14592.78  390.052 14108.25  382.071  329.303   4.4100  323.793   4.3932 5.510681 6.224814 
1 1 1    7    7   21 o   91.640   1.0616  1127.94   26.130  1113.24   36.295  1143.76   37.649   91.036   1.4844   92.275   1.5191 -1.239044 2.123909 
1 1 1    7    7   22 o  101.539   1.0640  1384.79   29.019  1401.51   43.448  1371.32   38.991  102.142   1.5837  101.038   1.4367 1.103477 2.138304 
1 1 1    7    7   23 o  138.331   1.2754  2570.31   47.386  2714.78   77.078  2482.52   60.082  142.144   2.0189  135.939   1.6455 6.204819 2.604550 
1 1 1    7    7   24 o  212.018   1.6896  6039.08   96.214  6109.65  137.015  5970.42  135.138  213.213   2.3926  210.770   2.3871 2.443054 3.379755 
1 1 1    7    7   25 o  210.635   1.6803  5960.77   95.063  5967.62  134.423  5953.92  134.455  210.713   2.3751  210.471   2.3784 0.2423096 3.361293 
1 1 1    7    7   26 o  111.958   1.1455  1683.69   34.448  1655.36   45.723  1720.88   52.386  111.003   1.5336  113.172   1.7234 -2.169769 2.306944 
1 1 1    7    7   27 o   71.038   1.0279  677.838   19.612  667.605   30.149  685.344   25.822   70.490   1.5924   71.425   1.3460 -0.9350662 2.085078 
1 1 1    7    7   28 o  145.877   1.2787  2858.79   50.101  2841.72   74.079  2873.18   68.016  145.412   1.8967  146.223   1.7318 -0.8118896 2.568409 
1 1 1    7    7   29 o  159.031   1.3740  3397.95   58.688  3411.08   87.254  3387.11   79.309  159.296   2.0393  158.748   1.8600 0.5476837 2.760179 
1 1 1    7    7   30 o   73.338   0.8578  722.448   16.897  715.687   21.584  733.150   27.155   72.989   1.1010   73.868   1.3687 -0.8785477 1.756538 
1 1 1    7    7   31 o   62.579   0.8097  526.036   13.609  521.628   17.421  532.937   21.799   62.313   1.0409   62.979   1.2887 -0.6661758 1.656596 
1 1 1    7    7   32 o   32.979   1.0163  146.116   9.0024  144.828   10.637  149.369   16.900   32.831   1.2063   33.274   1.8988 -0.4436111 2.249600 
1 1 1    7    7   33 o   18.060   1.0678   43.977   5.1565   35.332   7.1088   53.576   7.4911   16.125   1.6654   19.915   1.4095 -3.790401 2.181796 
1 1 1    7    7   34 o   94.923   0.9835  1210.62   25.076  1230.45   32.781  1182.66   38.931   95.682   1.2756   93.788   1.5455 1.894012 2.003894 
1 1 1    7    7   35 o  108.499   0.9867  1581.77   28.754  1564.60   40.390  1599.42   40.945  107.880   1.3939  109.074   1.3976 -1.193611 1.973919 
1 1 1    7    7   36 o   39.998   0.7948  214.935   8.5389  220.358   12.142  209.630   12.011   40.492   1.1164   39.494   1.1323 0.9983978 1.590096 
1 1 1    7    7   37 o   50.424   0.8128  341.610   11.008  347.904   17.246  337.283   14.299   50.871   1.2622   50.096   1.0627 0.7750320 1.649980 
1 1 1    7    7   38 o  156.938   1.3089  3311.70   55.171  3328.00   78.217  3295.55   77.833  157.227   1.8522  156.459   1.8521 0.7682190 2.619332 
1 1 1    7    7   39 o   41.020   0.8179  226.095   9.0114  218.207   11.828  237.008   13.913   40.290   1.0930   41.984   1.2338 -1.694324 1.648273 
1 1 1    7    7   40 o   28.977   0.9517  112.855   7.4068  107.839   11.174  116.787   9.8926   28.271   1.4767   29.468   1.2499 -1.197811 1.934600 
1 1 1    7    7   41 o   83.521   0.9068  937.636   20.341  933.350   27.331  942.960   30.457   83.301   1.2215   83.713   1.3546 -0.4126205 1.824012 
1 1 1    7    7   42 o  121.538   1.1294  1986.82   36.869  2013.97   50.264  1955.21   54.244  122.286   1.5303  120.455   1.6766 1.831421 2.270021 
1 1 1    7    7   43 o   98.646   1.0468  1308.79   27.735  1315.33   39.276  1302.28   39.172   98.818   1.4798   98.326   1.4833 0.4920502 2.095187 
1 1 1    7    7   44 o   17.767   1.4740   42.822   6.9707   40.844   10.444   44.411   9.3610   17.219   2.3169   18.028   1.9651 -0.8086414 3.038047 
1 1 1    7    7   45 o   8.6919   2.4329   10.530   5.9040   13.641   8.3811   7.4657   8.3184   9.9334   2.9366   8.1380   2.9515 1.795332 4.163475 
1 1 1    7    7   46 o   32.397   0.9906  141.186   8.6200  132.298   11.644  151.962   12.821   31.335   1.3835   33.580   1.4215 -2.245014 1.983673 
1 1 1    7    7   47 o   43.758   0.7949  257.444   9.3419  251.600   13.599  262.668   12.855   43.229   1.1712   44.178   1.0834 -0.9486923 1.595472 
1 1 1    7    7   48 o   58.547   0.8572  461.007   13.479  470.090   20.357  453.915   17.987   59.066   1.2832   58.060   1.1535 1.006630 1.725401 
1 1 1    7    7   49 o   67.162   0.8839  606.835   15.945  614.992   21.423  596.702   23.877   67.566   1.1805   66.525   1.3363 1.041252 1.783009 
1 1 1    7    7   50 o   37.221   0.8899  186.419   8.8961  190.424   12.708  182.570   12.458   37.582   1.2589   36.799   1.2604 0.7833939 1.781455 
1 1 1    7    7   51 o   33.568   0.9427  151.679   8.4997  142.782   12.131  160.258   11.912   32.523   1.3887   34.469   1.2867 -1.945374 1.893217 
1 1 1    7    7   52 o   24.520   1.2840   81.330   8.4267   75.964   12.420   85.907   11.471   23.575   1.9798   25.133   1.7094 -1.558558 2.615628 
1 1 1    7    7   53 f   36.198   1.1112  176.581   10.804  157.434   14.993  197.258   15.581   34.109   1.6366   38.201   1.5185 -4.091251 2.232553 
1 1 1    7    7   54 o   35.660   0.9955  171.268   9.5352  190.908   13.902  153.823   13.103   37.600   1.3766   33.742   1.4458 3.858501 1.996311 
1 1 1    7    7   55 o   13.541   1.9951   25.441   7.0390   31.626   9.9319   19.200   9.9775   14.998   2.5572   11.587   3.1315 3.411399 4.042946 
1 1 1    7    7   56 o   43.206   1.0240  251.597   11.883  239.907   15.076  270.776   19.311   42.138   1.3320   44.704   1.6083 -2.566845 2.088267 
1 1 1    7    7   57 o   12.774   2.5010   23.186   8.2736   30.653   14.084   19.251   10.223   14.459   3.6316   11.556   3.1894 2.902910 4.833335 
1 1 1    7    7   58 o   9.2029   3.0101   11.546   8.5700   10.267   12.113   12.827   12.127   9.4736   3.5395   10.035   3.5728 -0.5616779 5.029253 
1 1 1    7    7   59 o   22.491   1.5692   69.198   9.4197   74.525   14.018   64.811   12.719   23.114   2.2880   21.562   2.2284 1.552114 3.193827 
1 1 1    7    7   60 o   34.102   1.2682  157.844   11.616  135.327   14.949  192.158   18.454   31.367   1.7817   37.410   1.8366 -6.042316 2.558835 
1 1 1    7    7   61 o   11.111   2.9359   18.315   8.8933   4.9786   12.550   31.767   12.604   8.3929   3.4548   14.525   3.3051 -6.132048 4.781146 
1 1 1    8    0  -63 o   47.851   2.2920  325.539   29.304  325.539   29.304  325.539   29.304   47.851   2.2920   47.851   2.2920 0.000000 0.000000 
1 1 1    8    0  -62 o   3.8902   2.7405 -11.2793   11.298 -11.2793   11.298 -11.2793   11.298   3.8902   2.7405   3.8902   2.7405 -0.000000 0.000000 
1 1 1    8    0  -61 o   30.019   1.7348  124.673   13.881  124.673   13.881  124.673   13.881   30.019   1.7348   30.019   1.7348 0.000000 0.000000 
1 1 1    8    0  -60 o   16.369   2.7054   40.043   10.918   40.043   10.918   40.043   10.918   16.369   2.7054   16.369   2.7054 0.000000 0.000000 
1 1 1    8    0  -59 o   10.077   4.1735   20.212   11.230   20.212   11.230   20.212   11.230   10.077   4.1735   10.077   4.1735 0.000000 0.000000 
1 1 1    8    0  -58 o   29.756   1.5770  120.991   12.523  120.991   12.523  120.991   12.523   29.756   1.5770   29.756   1.5770 0.000000 0.000000 
1 1 1    8    0  -57 o   5.7422   3.7551  -0.7835   14.294  -0.7835   14.294  -0.7835   14.294   5.7422   3.7551   5.7422   3.7551 -0.000000 0.000000 
1 1 1    8    0  -56 o   35.824   1.3828  174.057   13.260  174.057   13.260  174.057   13.260   35.824   1.3828   35.824   1.3828 0.000000 0.000000 
1 1 1    8    0  -55 o   6.5361   3.7007   7.9938   10.013   7.9938   10.013   7.9938   10.013   6.5361   3.7007   6.5361   3.7007 -0.000000 0.000000 
1 1 1    8    0  -54 o   4.4570   2.9567  -2.1961   9.3694  -2.1961   9.3694  -2.1961   9.3694   4.4570   2.9567   4.4570   2.9567 -0.000000 0.000000 
1 1 1    8    0  -53 o   30.139   1.4250  123.397   11.476  123.397   11.476  123.397   11.476   30.139   1.4250   30.139   1.4250 -0.000000 0.000000 
1 1 1    8    0  -52 o   73.625   1.2160  730.927   24.031  730.927   24.031  730.927   24.031   73.625   1.2160   73.625   1.2160 0.000000 0.000000 
1 1 1    8    0  -51 o   7.5060   3.9435   11.335   10.523   11.335   10.523   11.335   10.523   7.5060   3.9435   7.5060   3.9435 0.000000 0.000000 
1 1 1    8    0  -50 o   16.666   2.1463   39.385   9.1698   39.385   9.1698   39.385   9.1698   16.666   2.1463   16.666   2.1463 -0.000000 0.000000 
1 1 1    8    0  -49 o   38.904   1.2411  204.349   12.939  204.349   12.939  204.349   12.939   38.904   1.2411   38.904   1.2411 0.000000 0.000000 
1 1 1    8    0  -48 o   17.044   2.4479   41.639   10.535   41.639   10.535   41.639   10.535   17.044   2.4479   17.044   2.4479 -0.000000 0.000000 
1 1 1    8    0  -47 o  114.702   1.4791  1772.60   45.551  1772.60   45.551  1772.60   45.551  114.702   1.4791  114.702   1.4791 -0.000000 0.000000 
1 1 1    8    0  -46 o   40.790   1.1430  224.301   12.500  224.301   12.500  224.301   12.500   40.790   1.1430   40.790   1.1430 0.000000 0.000000 
1 1 1    8    0  -45 o   75.183   1.4835  761.665   29.932  761.665   29.932  761.665   29.932   75.183   1.4835   75.183   1.4835 0.000000 0.000000 
1 1 1    8    0  -44 o   70.821   1.1468  674.870   21.801  674.870   21.801  674.870   21.801   70.821   1.1468   70.821   1.1468 0.000000 0.000000 
1 1 1    8    0  -43 o   46.482   1.3499  291.265   16.821  291.265   16.821  291.265   16.821   46.482   1.3499   46.482   1.3499 -0.000000 0.000000 
1 1 1    8    0  -42 o   21.929   1.5498   65.638   9.0238   65.638   9.0238   65.638   9.0238   21.929   1.5498   21.929   1.5498 -0.000000 0.000000 
1 1 1    8    0  -41 o   13.104   2.4923   25.473   7.8497   25.473   7.8497   25.473   7.8497   13.104   2.4923   13.104   2.4923 0.000000 0.000000 
1 1 1    8    0  -40 o   41.901   1.2315  236.558   13.832  236.558   13.832  236.558   13.832   41.901   1.2315   41.901   1.2315 -0.000000 0.000000 
1 1 1    8    0  -39 o   88.699   1.3702  1058.14   32.625  1058.14   32.625  1058.14   32.625   88.699   1.3702   88.699   1.3702 -0.000000 0.000000 
1 1 1    8    0  -38 f   39.064   1.2009  205.618   12.573  205.618   12.573  205.618   12.573   39.064   1.2009   39.064   1.2009 0.000000 0.000000 
1 1 1    8    0  -37 o   58.352   1.3439  458.253   21.037  458.253   21.037  458.253   21.037   58.352   1.3439   58.352   1.3439 0.000000 0.000000 
1 1 1    8    0  -36 o   17.016   1.6803   40.040   7.5080   40.040   7.5080   40.040   7.5080   17.016   1.6803   17.016   1.6803 -0.000000 0.000000 
1 1 1    8    0  -35 o  110.450   1.7271  1640.61   51.209  1640.61   51.209  1640.61   51.209  110.450   1.7271  110.450   1.7271 -0.000000 0.000000 
1 1 1    8    0  -34 o  211.496   2.9328  6020.37  166.528  6020.37  166.528  6020.37  166.528  211.496   2.9328  211.496   2.9328 -0.000000 0.000000 
1 1 1    8    0  -33 o  250.785   3.0719  8462.67  206.847  8462.67  206.847  8462.67  206.847  250.785   3.0719  250.785   3.0719 0.000000 0.000000 
1 1 1    8    0  -32 o   38.791   1.3523  202.865   14.051  202.865   14.051  202.865   14.051   38.791   1.3523   38.791   1.3523 -0.000000 0.000000 
1 1 1    8    0  -31 o   24.439   1.2700   80.874   8.2851   80.874   8.2851   80.874   8.2851   24.439   1.2700   24.439   1.2700 0.000000 0.000000 
1 1 1    8    0  -30 o   10.256   2.7942   16.931   6.6542   16.931   6.6542   16.931   6.6542   10.256   2.7942   10.256   2.7942 -0.000000 0.000000 
1 1 1    8    0  -29 o  242.881   3.8442  7938.11  250.638  7938.11  250.638  7938.11  250.638  242.881   3.8442  242.881   3.8442 -0.000000 0.000000 
1 1 1    8    0  -28 o   59.096   1.4614  469.936   23.164  469.936   23.164  469.936   23.164   59.096   1.4614   59.096   1.4614 0.000000 0.000000 
1 1 1    8    0  -27 o  265.586   2.9506  9481.72  210.421  9481.72  210.421  9481.72  210.421  265.586   2.9506  265.586   2.9506 -0.000000 0.000000 
1 1 1    8    0  -26 o   69.056   1.3148  641.188   24.367  641.188   24.367  641.188   24.367   69.056   1.3148   69.056   1.3148 -0.000000 0.000000 
1 1 1    8    0  -25 o  190.720   2.1708  4888.09  111.169  4888.09  111.169  4888.09  111.169  190.720   2.1708  190.720   2.1708 0.000000 0.000000 
1 1 1    8    0  -24 o  447.382   4.8837 26923.74  586.680 26923.74  586.680 26923.74  586.680  447.382   4.8837  447.382   4.8837 -0.000000 0.000000 
1 1 1    8    0  -23 o  469.970   7.2619 29764.65  916.169 29764.65  916.169 29764.65  916.169  469.970   7.2619  469.970   7.2619 -0.000000 0.000000 
1 1 1    8    0  -22 o   37.090   1.0297  185.183   10.240  185.183   10.240  185.183   10.240   37.090   1.0297   37.090   1.0297 0.000000 0.000000 
1 1 1    8    0  -21 o   19.256   1.4902   50.692   7.6011   50.692   7.6011   50.692   7.6011   19.256   1.4902   19.256   1.4902 0.000000 0.000000 
1 1 1    8    0  -20 o  721.389   7.8368 70075.97  1518.05 70075.97  1518.05 70075.97  1518.05  721.389   7.8368  721.389   7.8368 0.000000 0.000000 
1 1 1    8    0  -19 o  280.581   3.1022 10579.59  233.719 10579.59  233.719 10579.59  233.719  280.581   3.1022  280.581   3.1022 0.000000 0.000000 
1 1 1    8    0  -18 o   72.298   1.0560  702.427   20.496  702.427   20.496  702.427   20.496   72.298   1.0560   72.298   1.0560 -0.000000 0.000000 
1 1 1    8    0  -17 o  258.781   2.8707  8998.41  199.477  8998.41  199.477  8998.41  199.477  258.781   2.8707  258.781   2.8707 -0.000000 0.000000 
1 1 1    8    0  -16 o  457.084   4.9803 28080.18  611.267 28080.18  611.267 28080.18  611.267  457.084   4.9803  457.084   4.9803 -0.000000 0.000000 
1 1 1    8    0  -15 o  459.868   5.0107 28421.62  618.741 28421.62  618.741 28421.62  618.741  459.868   5.0107  459.868   5.0107 0.000000 0.000000 
1 1 1    8    0  -14 o  244.801   2.9852  8052.57  196.214  8052.57  196.214  8052.57  196.214  244.801   2.9852  244.801   2.9852 0.000000 0.000000 
1 1 1    8    0  -13 o  440.783   5.2677 26112.32  623.444 26112.32  623.444 26112.32  623.444  440.783   5.2677  440.783   5.2677 0.000000 0.000000 
1 1 1    8    0  -12 o  633.777   9.7468 54040.44  1658.28 54040.44  1658.28 54040.44  1658.28  633.777   9.7468  633.777   9.7468 0.000000 0.000000 
1 1 1    8    0  -11 o  168.727   3.3614  3828.28  152.197  3828.28  152.197  3828.28  152.197  168.727   3.3614  168.727   3.3614 0.000000 0.000000 
1 1 1    8    0  -10 o  297.385   4.0138 11885.41  320.473 11885.41  320.473 11885.41  320.473  297.385   4.0138  297.385   4.0138 0.000000 0.000000 
1 1 1    8    0   -9 o  112.696   1.9611  1707.22   59.319  1707.22   59.319  1707.22   59.319  112.696   1.9611  112.696   1.9611 -0.000000 0.000000 
1 1 1    8    0   -8 o  833.634   11.071 93505.54  2477.84 93505.54  2477.84 93505.54  2477.84  833.634   11.071  833.634   11.071 0.000000 0.000000 
1 1 1    8    0   -7 o  484.011   6.4538 31492.78  838.660 31492.78  838.660 31492.78  838.660  484.011   6.4538  484.011   6.4538 -0.000000 0.000000 
1 1 1    8    0   -6 o  374.897   4.1013 18885.45  412.865 18885.45  412.865 18885.45  412.865  374.897   4.1013  374.897   4.1013 0.000000 0.000000 
1 1 1    8    0   -5 o  638.270   7.5881 54772.42  1300.44 54772.42  1300.44 54772.42  1300.44  638.270   7.5881  638.270   7.5881 0.000000 0.000000 
1 1 1    8    0   -4 o  273.347   3.0182 10039.21  221.529 10039.21  221.529 10039.21  221.529  273.347   3.0182  273.347   3.0182 0.000000 0.000000 
1 1 1    8    0   -3 o  153.832   2.5137  3180.83  103.797  3180.83  103.797  3180.83  103.797  153.832   2.5137  153.832   2.5137 -0.000000 0.000000 
1 1 1    8    0   -2 o  226.622   3.0942  6901.84  188.260  6901.84  188.260  6901.84  188.260  226.622   3.0942  226.622   3.0942 -0.000000 0.000000 
1 1 1    8    0   -1 o  145.796   2.0761  2856.55   81.261  2856.55   81.261  2856.55   81.261  145.796   2.0761  145.796   2.0761 -0.000000 0.000000 
1 1 1    8    0    0 o  113.108   1.6847  1719.32   51.157  1719.32   51.157  1719.32   51.157  113.108   1.6847  113.108   1.6847 0.000000 0.000000 
1 1 1    8    0    1 o   83.784   1.3570  943.498   30.520  943.498   30.520  943.498   30.520   83.784   1.3570   83.784   1.3570 0.000000 0.000000 
1 1 1    8    0    2 o  217.178   2.4283  6337.09  141.605  6337.09  141.605  6337.09  141.605  217.178   2.4283  217.178   2.4283 0.000000 0.000000 
1 1 1    8    0    3 o  585.208   6.3536 46032.56  998.410 46032.56  998.410 46032.56  998.410  585.208   6.3536  585.208   6.3536 -0.000000 0.000000 
1 1 1    8    0    4 o   54.918   1.0830  405.518   15.960  405.518   15.960  405.518   15.960   54.918   1.0830   54.918   1.0830 0.000000 0.000000 
1 1 1    8    0    5 o  476.491   5.6808 30516.03  726.808 30516.03  726.808 30516.03  726.808  476.491   5.6808  476.491   5.6808 -0.000000 0.000000 
1 1 1    8    0    6 o  273.294   3.6957 10037.59  271.165 10037.59  271.165 10037.59  271.165  273.294   3.6957  273.294   3.6957 0.000000 0.000000 
1 1 1    8    0    7 o  351.623   4.2177 16614.67  398.207 16614.67  398.207 16614.67  398.207  351.623   4.2177  351.623   4.2177 0.000000 0.000000 
1 1 1    8    0    8 o   56.376   1.0079  427.236   15.251  427.236   15.251  427.236   15.251   56.376   1.0079   56.376   1.0079 -0.000000 0.000000 
1 1 1    8    0    9 o   27.632   1.2252  103.146   9.0523  103.146   9.0523  103.146   9.0523   27.632   1.2252   27.632   1.2252 0.000000 0.000000 
1 1 1    8    0   10 o  149.694   2.4620  3012.00   98.930  3012.00   98.930  3012.00   98.930  149.694   2.4620  149.694   2.4620 -0.000000 0.000000 
1 1 1    8    0   11 o  380.152   5.0916 19423.89  519.669 19423.89  519.669 19423.89  519.669  380.152   5.0916  380.152   5.0916 0.000000 0.000000 
1 1 1    8    0   12 o  324.325   3.9008 14134.75  339.693 14134.75  339.693 14134.75  339.693  324.325   3.9008  324.325   3.9008 -0.000000 0.000000 
1 1 1    8    0   13 o  440.404   4.8013 26064.11  567.782 26064.11  567.782 26064.11  567.782  440.404   4.8013  440.404   4.8013 -0.000000 0.000000 
1 1 1    8    0   14 o   33.297   1.2564  149.531   11.200  149.531   11.200  149.531   11.200   33.297   1.2564   33.297   1.2564 0.000000 0.000000 
1 1 1    8    0   15 o  264.096   2.9258  9371.33  207.479  9371.33  207.479  9371.33  207.479  264.096   2.9258  264.096   2.9258 0.000000 0.000000 
1 1 1    8    0   16 o  442.175   4.8218 26277.63  572.500 26277.63  572.500 26277.63  572.500  442.175   4.8218  442.175   4.8218 -0.000000 0.000000 
1 1 1    8    0   17 o  461.540   5.0302 28633.49  623.404 28633.49  623.404 28633.49  623.404  461.540   5.0302  461.540   5.0302 0.000000 0.000000 
1 1 1    8    0   18 o   38.537   1.1457  199.974   11.835  199.974   11.835  199.974   11.835   38.537   1.1457   38.537   1.1457 0.000000 0.000000 
1 1 1    8    0   19 o  172.547   2.4309  4001.46  112.608  4001.46  112.608  4001.46  112.608  172.547   2.4309  172.547   2.4309 -0.000000 0.000000 
1 1 1    8    0   20 o  113.412   2.4603  1730.18   74.865  1730.18   74.865  1730.18   74.865  113.412   2.4603  113.412   2.4603 0.000000 0.000000 
1 1 1    8    0   21 o  340.290   3.7365 15566.25  341.417 15566.25  341.417 15566.25  341.417  340.290   3.7365  340.290   3.7365 -0.000000 0.000000 
1 1 1    8    0   22 o  328.277   3.9565 14489.81  348.735 14489.81  348.735 14489.81  348.735  328.277   3.9565  328.277   3.9565 0.000000 0.000000 
1 1 1    8    0   23 o  102.616   1.4403  1415.12   39.680  1415.12   39.680  1415.12   39.680  102.616   1.4403  102.616   1.4403 -0.000000 0.000000 
1 1 1    8    0   24 o  147.863   1.7389  2937.88   69.038  2937.88   69.038  2937.88   69.038  147.863   1.7389  147.863   1.7389 0.000000 0.000000 
1 1 1    8    0   25 o  124.844   1.6651  2094.57   55.812  2094.57   55.812  2094.57   55.812  124.844   1.6651  124.844   1.6651 -0.000000 0.000000 
1 1 1    8    0   26 o   56.504   1.0130  429.214   15.362  429.214   15.362  429.214   15.362   56.504   1.0130   56.504   1.0130 -0.000000 0.000000 
1 1 1    8    0   27 o  404.404   4.8484 22007.23  526.463 22007.23  526.463 22007.23  526.463  404.404   4.8484  404.404   4.8484 0.000000 0.000000 
1 1 1    8    0   28 o  196.852   2.2379  5207.99  118.289  5207.99  118.289  5207.99  118.289  196.852   2.2379  196.852   2.2379 -0.000000 0.000000 
1 1 1    8    0   29 o  122.849   1.8373  2028.72   60.594  2028.72   60.594  2028.72   60.594  122.849   1.8373  122.849   1.8373 -0.000000 0.000000 
1 1 1    8    0   30 o  104.227   1.4795  1460.07   41.399  1460.07   41.399  1460.07   41.399  104.227   1.4795  104.227   1.4795 0.000000 0.000000 
1 1 1    8    0   31 o  157.669   2.2644  3342.53   95.849  3342.53   95.849  3342.53   95.849  157.669   2.2644  157.669   2.2644 -0.000000 0.000000 
1 1 1    8    0   32 o   36.829   1.7320  183.430   17.046  183.430   17.046  183.430   17.046   36.829   1.7320   36.829   1.7320 0.000000 0.000000 
1 1 1    8    0   33 o  108.886   1.7246  1594.18   50.408  1594.18   50.408  1594.18   50.408  108.886   1.7246  108.886   1.7246 -0.000000 0.000000 
1 1 1    8    0   34 o   74.754   1.2525  751.321   25.132  751.321   25.132  751.321   25.132   74.754   1.2525   74.754   1.2525 0.000000 0.000000 
1 1 1    8    0   35 o   93.921   1.4021  1185.97   35.352  1185.97   35.352  1185.97   35.352   93.921   1.4021   93.921   1.4021 0.000000 0.000000 
1 1 1    8    0   36 o  125.179   1.8968  2107.90   63.743  2107.90   63.743  2107.90   63.743  125.179   1.8968  125.179   1.8968 0.000000 0.000000 
1 1 1    8    0   37 o  226.837   2.5577  6927.24  155.789  6927.24  155.789  6927.24  155.789  226.837   2.5577  226.837   2.5577 0.000000 0.000000 
1 1 1    8    0   38 f  219.484   2.4838  6486.50  146.382  6486.50  146.382  6486.50  146.382  219.484   2.4838  219.484   2.4838 -0.000000 0.000000 
1 1 1    8    0   39 o   86.857   1.4882  1014.95   34.695  1014.95   34.695  1014.95   34.695   86.857   1.4882   86.857   1.4882 -0.000000 0.000000 
1 1 1    8    0   40 o  104.555   1.3796  1470.12   38.728  1470.12   38.728  1470.12   38.728  104.555   1.3796  104.555   1.3796 -0.000000 0.000000 
1 1 1    8    0   41 o   6.5726   3.2993   8.5726   7.1526   8.5726   7.1526   8.5726   7.1526   6.5726   3.2993   6.5726   3.2993 -0.000000 0.000000 
1 1 1    8    0   42 o   70.995   1.2699  678.208   24.198  678.208   24.198  678.208   24.198   70.995   1.2699   70.995   1.2699 -0.000000 0.000000 
1 1 1    8    0   43 o   19.797   1.6178   53.778   8.4704   53.778   8.4704   53.778   8.4704   19.797   1.6178   19.797   1.6178 0.000000 0.000000 
1 1 1    8    0   44 o   14.936   2.1206   31.822   8.0116   31.822   8.0116   31.822   8.0116   14.936   2.1206   14.936   2.1206 0.000000 0.000000 
1 1 1    8    0   45 o   35.789   1.6116  173.503   15.421  173.503   15.421  173.503   15.421   35.789   1.6116   35.789   1.6116 -0.000000 0.000000 
1 1 1    8    0   46 o   44.831   1.2682  271.044   15.243  271.044   15.243  271.044   15.243   44.831   1.2682   44.831   1.2682 -0.000000 0.000000 
1 1 1    8    0   47 o   70.323   1.3075  666.256   24.677  666.256   24.677  666.256   24.677   70.323   1.3075   70.323   1.3075 -0.000000 0.000000 
1 1 1    8    0   48 o   19.359   1.9183   52.040   9.7500   52.040   9.7500   52.040   9.7500   19.359   1.9183   19.359   1.9183 -0.000000 0.000000 
1 1 1    8    0   49 o   34.800   1.4501  164.000   13.501  164.000   13.501  164.000   13.501   34.800   1.4501   34.800   1.4501 0.000000 0.000000 
1 1 1    8    0   50 o   15.269   2.3737   33.752   9.0337   33.752   9.0337   33.752   9.0337   15.269   2.3737   15.269   2.3737 -0.000000 0.000000 
1 1 1    8    0   51 o   10.897   3.4995   20.488   9.0373   20.488   9.0373   20.488   9.0373   10.897   3.4995   10.897   3.4995 -0.000000 0.000000 
1 1 1    8    0   52 o   12.089   3.2213   23.690   9.0378   23.690   9.0378   23.690   9.0378   12.089   3.2213   12.089   3.2213 -0.000000 0.000000 
1 1 1    8    0   53 o   28.832   1.9021  114.052   14.583  114.052   14.583  114.052   14.583   28.832   1.9021   28.832   1.9021 0.000000 0.000000 
1 1 1    8    0   54 o   46.316   1.2361  289.843   15.353  289.843   15.353  289.843   15.353   46.316   1.2361   46.316   1.2361 -0.000000 0.000000 
1 1 1    8    0   55 o   75.176   1.6132  765.370   32.540  765.370   32.540  765.370   32.540   75.176   1.6132   75.176   1.6132 0.000000 0.000000 
1 1 1    8    0   56 o   21.917   2.3071   67.568   13.237   67.568   13.237   67.568   13.237   21.917   2.3071   21.917   2.3071 0.000000 0.000000 
1 1 1    8    0   57 o   38.423   1.4401  200.400   14.814  200.400   14.814  200.400   14.814   38.423   1.4401   38.423   1.4401 0.000000 0.000000 
1 1 1    8    0   58 o   5.2456   3.3451   1.4985   10.436   1.4985   10.436   1.4985   10.436   5.2456   3.3451   5.2456   3.3451 0.000000 0.000000 
1 1 1    8    0   59 o   32.591   1.5115  145.022   13.166  145.022   13.166  145.022   13.166   32.591   1.5115   32.591   1.5115 0.000000 0.000000 
1 1 1    8    0   60 o   41.217   1.3635  231.247   15.057  231.247   15.057  231.247   15.057   41.217   1.3635   41.217   1.3635 0.000000 0.000000 
1 1 1    8    0   61 o   15.379   3.4495   38.119   12.439   38.119   12.439   38.119   12.439   15.379   3.4495   15.379   3.4495 -0.000000 0.000000 
1 1 1    8    0   62 o   20.073   2.4813   59.075   12.829   59.075   12.829   59.075   12.829   20.073   2.4813   20.073   2.4813 0.000000 0.000000 
1 1 1    8    0   63 o   4.4656   3.1398 -12.5482   14.608 -12.5482   14.608 -12.5482   14.608   4.4656   3.1398   4.4656   3.1398 -0.000000 0.000000 
1 1 1    8    1  -63 o   11.399   3.0792   19.410   9.6498   13.030   13.040   27.135   14.348   10.006   3.6851   13.254   3.8207 -3.247814 5.308304 
1 1 1    8    1  -62 o   25.724   1.5202   90.563   10.457   71.674   14.478  111.160   15.118   22.538   2.4301   28.322   2.0003 -5.783239 3.147453 
1 1 1    8    1  -61 o   12.635   2.3114   22.732   7.5550   25.031   10.274   20.026   11.148   13.077   2.9902   11.675   3.3684 1.402003 4.504183 
1 1 1    8    1  -60 o   19.819   1.4963   53.623   7.9064   54.630   11.227   52.632   11.136   19.840   2.1407   19.462   2.1672 0.3779297 3.046173 
1 1 1    8    1  -59 o   20.374   1.4961   56.552   8.1298   62.955   11.409   49.946   11.588   21.385   2.0098   18.944   2.3264 2.441751 3.074319 
1 1 1    8    1  -58 o   19.455   1.5409   51.560   7.9862   54.264   11.353   48.913   11.236   19.829   2.1669   18.789   2.2728 1.040737 3.140202 
1 1 1    8    1  -57 o   16.274   1.9901   36.509   8.5179   32.362   12.142   40.529   11.953   15.046   3.1074   16.988   2.7107 -1.941784 4.123573 
1 1 1    8    1  -56 o   29.458   1.2194  117.015   9.6483  122.917   13.812  111.391   13.483   30.083   1.7165   28.624   1.7623 1.458666 2.460131 
1 1 1    8    1  -55 o   16.746   1.8630   38.465   8.2373   36.522   10.688   41.307   12.928   16.166   2.5456   17.122   2.9156 -0.9560394 3.870497 
1 1 1    8    1  -54 o   55.028   0.8547  407.432   12.633  413.345   18.037  401.739   17.698   55.372   1.2128   54.590   1.2070 0.7819405 1.711102 
1 1 1    8    1  -53 o   27.188   1.0735   99.559   7.8394   95.476   10.986  103.795   11.190   26.539   1.5479   27.680   1.5109 -1.141680 2.163045 
1 1 1    8    1  -52 o   47.250   0.9561  300.480   12.133  307.545   17.109  293.331   17.210   47.754   1.3339   46.631   1.3741 1.122562 1.915047 
1 1 1    8    1  -51 o   50.882   0.8784  348.264   12.004  347.161   18.209  349.112   15.965   50.746   1.3359   50.912   1.1675 -0.1653481 1.774217 
1 1 1    8    1  -50 o   12.232   1.9768   20.749   6.2733   26.493   8.8679   14.996   8.8756   13.758   2.4915   10.369   3.0097 3.389358 3.907168 
1 1 1    8    1  -49 o   36.747   0.9284  181.617   9.1636  191.049   12.359  170.104   13.656   37.668   1.2216   35.526   1.4311 2.142124 1.881628 
1 1 1    8    1  -48 o   68.520   1.0224  631.582   18.815  632.882   31.668  630.873   23.392   68.483   1.7216   68.449   1.2723 0.3420258E-01 2.140764 
1 1 1    8    1  -47 o   8.6221   2.3710   10.381   5.6619   5.1358   8.1012   15.389   7.9162   7.4825   2.8720   10.459   2.7729 -2.976661 3.992199 
1 1 1    8    1  -46 o   82.889   0.8709  923.677   19.390  927.837   27.510  919.571   27.334   83.030   1.2336   82.660   1.2312 0.3703537 1.742834 
1 1 1    8    1  -45 o   66.613   0.8027  596.399   14.362  583.700   20.150  609.514   20.477   65.872   1.1389   67.314   1.1326 -1.441429 1.606172 
1 1 1    8    1  -44 o   32.983   0.9068  146.232   8.0336  145.542   11.356  146.924   11.367   32.889   1.2855   33.045   1.2807 -0.1559753 1.814546 
1 1 1    8    1  -43 o   48.994   0.7715  322.555   10.153  318.209   14.329  326.937   14.387   48.649   1.0966   49.312   1.0862 -0.6632004 1.543531 
1 1 1    8    1  -42 o   42.358   0.8455  241.093   9.6187  234.840   12.444  250.375   15.161   41.796   1.1085   43.147   1.3082 -1.351505 1.714698 
1 1 1    8    1  -41 o   98.828   1.0207  1312.66   27.094  1333.77   42.576  1298.30   35.123   99.565   1.5921   98.259   1.3308 1.305153 2.075073 
1 1 1    8    1  -40 o   86.068   0.8985  995.356   20.771  987.949   28.161  1004.19   30.759   85.728   1.2230   86.423   1.3251 -0.6944733 1.803231 
1 1 1    8    1  -39 o   75.982   0.9015  775.705   18.397  769.184   25.926  782.320   26.110   75.644   1.2761   76.287   1.2743 -0.6432800 1.803381 
1 1 1    8    1  -38 o   38.433   0.7742  198.436   7.9923  203.338   11.403  193.702   11.205   38.899   1.0914   37.966   1.0989 0.9330406 1.548762 
1 1 1    8    1  -37 o   82.861   1.1896  922.706   26.475  943.246   45.072  911.885   32.714   83.725   2.0043   82.358   1.4789 1.367012 2.490815 
1 1 1    8    1  -36 o  103.380   1.0495  1435.94   29.142  1427.20   41.078  1444.79   41.349  103.041   1.4843  103.674   1.4849 -0.6328583 2.099528 
1 1 1    8    1  -35 o  104.533   1.0502  1468.06   29.487  1492.05   46.677  1452.14   38.039  105.352   1.6496  103.950   1.3624 1.402046 2.139461 
1 1 1    8    1  -34 o   52.976   1.0449  377.025   14.868  384.829   20.578  368.501   21.506   53.514   1.4317   52.364   1.5291 1.149902 2.094682 
1 1 1    8    1  -33 o   54.097   1.1159  393.136   16.213  372.985   20.270  428.930   27.015   52.686   1.4324   56.491   1.7805 -3.805008 2.285112 
1 1 1    8    1  -32 o  126.956   1.1467  2165.18   39.101  2158.16   57.866  2171.09   53.043  126.727   1.7000  127.113   1.5536 -0.3857880 2.303024 
1 1 1    8    1  -31 o  119.648   1.0495  1922.94   33.726  1934.45   47.847  1911.58   47.545  119.993   1.4846  119.281   1.4840 0.7115097 2.099141 
1 1 1    8    1  -30 o   86.791   0.8932  1011.75   20.821  995.784   30.814  1025.17   28.244   86.097   1.3325   87.360   1.2037 -1.263420 1.795690 
1 1 1    8    1  -29 o   82.605   1.1482  916.567   25.475  906.848   35.792  926.547   36.268   82.158   1.6220   83.046   1.6260 -0.8874588 2.296643 
1 1 1    8    1  -28 o  137.381   1.4213  2535.31   52.444  2557.51   74.471  2513.47   73.867  137.963   2.0097  136.770   2.0108 1.193161 2.842934 
1 1 1    8    1  -27 o  145.879   1.5936  2858.77   62.440  2827.23   82.120  2902.00   96.132  145.055   2.1078  146.948   2.4356 -1.892532 3.221029 
1 1 1    8    1  -26 o   35.477   0.6992  169.036   6.6628  159.873   9.2980  178.706   9.5523   34.501   1.0034   36.477   0.9750 -1.975708 1.399063 
1 1 1    8    1  -25 o   47.276   0.8546  300.177   10.851  305.848   14.622  293.224   16.191   47.719   1.1408   46.723   1.2902 0.9960670 1.722193 
1 1 1    8    1  -24 o   84.011   0.9035  947.904   20.388  949.079   28.833  946.729   28.833   84.059   1.2770   83.955   1.2787 0.1041641 1.807163 
1 1 1    8    1  -23 o  197.963   1.8308  5264.65   97.347  5117.30  143.191  5391.27  132.740  195.135   2.7320  200.304   2.4673 -5.168579 3.681249 
1 1 1    8    1  -22 o  179.956   1.6775  4350.18   81.081  4385.63  109.423  4307.02  120.743  180.669   2.2549  179.033   2.5110 1.636566 3.374847 
1 1 1    8    1  -21 o  236.388   1.8656  7506.56  118.447  7555.38  168.207  7458.54  166.820  237.120   2.6411  235.596   2.6363 1.524292 3.731661 
1 1 1    8    1  -20 o  127.291   1.0830  2176.17   37.026  2182.17   52.454  2170.21   52.273  127.460   1.5322  127.110   1.5311 0.3496857 2.166068 
1 1 1    8    1  -19 o  105.916   0.9409  1506.65   26.767  1498.28   37.751  1515.11   37.960  105.618   1.3307  106.210   1.3307 -0.5916367 1.881891 
1 1 1    8    1  -18 o  170.072   1.3804  3884.86   63.057  3871.02   89.006  3898.81   89.347  169.760   1.9521  170.368   1.9525 -0.6083069 2.760961 
1 1 1    8    1  -17 o  201.495   2.1036  5453.54  113.848  5583.67  176.179  5360.24  149.180  203.856   3.2176  199.748   2.7806 4.108109 4.252627 
1 1 1    8    1  -16 o  445.681   3.4336 26687.56  411.017 27078.64  586.777 26310.83  575.908  448.831   4.8674  442.424   4.8464 6.407288 6.868747 
1 1 1    8    1  -15 o  228.612   1.8046  7019.48  110.807  6950.13  155.720  7090.62  157.709  227.467   2.5488  229.755   2.5556 -2.287460 3.609373 
1 1 1    8    1  -14 o  380.432   2.9401 19441.20  300.424 19139.84  420.501 19755.40  429.365  377.426   4.1480  383.447   4.1690 -6.020233 5.881038 
1 1 1    8    1  -13 o  289.622   2.4737 11266.59  192.426 11141.54  270.184 11395.31  274.123  287.987   3.4930  291.249   3.5042 -3.261047 4.947753 
1 1 1    8    1  -12 o  274.648   2.4808 10131.64  183.002 10073.71  223.432 10249.70  318.973  273.852   3.0377  276.203   4.2997 -2.351196 5.264441 
1 1 1    8    1  -11 o  376.005   4.1224 18994.07  416.333 19081.62  721.151 18950.30  509.887  376.725   7.1271  375.535   5.0551 1.190247 8.737798 
1 1 1    8    1  -10 o  214.817   2.9499  6198.46  170.202  6315.81  243.469  6086.30  238.028  216.820   4.1807  212.844   4.1637 3.975525 5.900391 
1 1 1    8    1   -9 o   33.533   1.2716  151.018   11.453  153.500   18.699  149.528   14.488   33.743   2.0732   33.367   1.6166 0.3759613 2.629003 
1 1 1    8    1   -8 o  285.941   2.5763 10981.93  197.861 11031.69  266.378 10920.68  295.521  286.571   3.4608  285.116   3.8590 1.454742 5.183514 
1 1 1    8    1   -7 o  715.053   6.0076 68721.05  1153.80 68879.89  1633.28 68562.80  1630.17  715.589   8.4978  713.940   8.5012 1.649414 12.02007 
1 1 1    8    1   -6 o  608.037   5.1102 49679.97  834.558 49712.73  1319.96 49658.16  1077.19  607.964   8.0833  607.782   6.5986 0.1823730 10.43465 
1 1 1    8    1   -5 o  550.485   4.4149 40714.63  652.772 40397.29  962.761 40984.64  888.073  548.187   6.5388  552.202   5.9877 -4.015137 8.866118 
1 1 1    8    1   -4 o   48.122   0.8754  310.993   11.314  323.076   13.923  287.500   19.414   49.047   1.0569   46.267   1.5623 2.779873 1.886181 
1 1 1    8    1   -3 o   65.612   0.9752  578.141   17.186  610.886   24.900  548.348   23.751   67.443   1.3745   63.898   1.3839 3.545353 1.950516 
1 1 1    8    1   -2 o  151.886   1.2977  3098.23   52.940  3107.94   78.596  3090.17   71.626  152.120   1.9236  151.685   1.7581 0.4342651 2.605978 
1 1 1    8    1   -1 o  546.523   4.5966 40134.05  674.736 39800.09  948.921 40475.58  959.610  544.099   6.4932  548.696   6.5114 -4.596191 9.195628 
1 1 1    8    1    0 o  317.279   2.6968 13521.52  229.820 13777.16  328.982 13277.84  321.187  320.234   3.8248  314.378   3.8038 5.855896 5.394248 
1 1 1    8    1    1 o  228.730   2.2063  7026.87  135.541  6734.59  215.595  7217.88  174.293  223.900   3.5850  231.809   2.7993 -7.909439 4.548491 
1 1 1    8    1    2 o  558.978   4.9549 41987.29  743.915 41465.11  1277.97 42254.91  914.898  555.152   8.5707  560.670   6.0754 -5.518066 10.50560 
1 1 1    8    1    3 o  332.502   2.8220 14850.32  252.024 15210.97  467.177 14702.28  299.312  336.438   5.1699  330.827   3.3685 5.610901 6.170470 
1 1 1    8    1    4 o  109.104   1.0935  1598.66   32.045  1576.18   55.004  1610.21   39.426  108.331   1.8904  109.497   1.3406 -1.165565 2.317483 
1 1 1    8    1    5 o  451.365   4.2551 27371.62  515.857 27042.44  835.898 27574.10  655.589  448.486   6.9393  452.974   5.3885 -4.488037 8.785726 
1 1 1    8    1    6 o  655.468   5.2499 57734.97  924.253 58864.04  1554.64 57117.76  1149.44  661.475   8.7503  651.839   6.5653 9.636230 10.93947 
1 1 1    8    1    7 o  166.633   1.5576  3729.11   69.714  3895.11  123.824  3652.07   84.353  170.292   2.7072  164.900   1.9045 5.391525 3.310002 
1 1 1    8    1    8 o  289.632   2.3566 11266.99  183.326 11176.09  246.957 11378.56  273.611  288.447   3.1876  291.041   3.5002 -2.594238 4.734116 
1 1 1    8    1    9 o  889.497   7.1132 106374.10  1699.43 107520.70  2317.46 105040.20  2499.57  893.858   9.6527  883.313   10.536 10.54443 14.28894 
1 1 1    8    1   10 o  268.275   2.4221  9666.72  174.527  9715.00  214.395  9571.88  300.493  268.935   2.9681  266.921   4.1914 2.014465 5.135892 
1 1 1    8    1   11 o  325.363   3.0916 14219.83  270.171 14034.01  338.858 14544.06  447.609  323.210   3.9034  328.991   5.0655 -5.781738 6.394977 
1 1 1    8    1   12 o  415.128   3.5070 23150.16  391.034 23550.35  510.437 22581.66  608.379  418.659   4.5393  409.910   5.5258 8.749359 7.151197 
1 1 1    8    1   13 o  683.188   5.4718 62730.21  1004.08 61723.35  1344.04 64001.83  1510.44  677.469   7.3863  689.755   8.1530 -12.28558 11.00131 
1 1 1    8    1   14 o  373.855   2.8911 18774.63  290.306 18963.34  413.188 18590.66  407.972  375.684   4.0948  371.975   4.0834 3.709412 5.782883 
1 1 1    8    1   15 o   82.320   0.8711  910.080   19.260  910.678   27.322  909.489   27.154   82.346   1.2353   82.292   1.2285 0.5375671E-01 1.742207 
1 1 1    8    1   16 o  203.648   1.7774  5570.25   97.220  5654.70  126.723  5449.44  151.569  205.177   2.2995  201.409   2.8018 3.768219 3.624622 
1 1 1    8    1   17 o  171.083   1.8182  3931.35   83.550  3759.54  124.084  4073.85  113.006  167.286   2.7616  174.146   2.4160 -6.859711 3.669275 
1 1 1    8    1   18 o  145.689   1.3978  2850.79   54.697  2848.06   66.875  2856.30   95.062  145.616   1.7099  145.814   2.4273 -0.1986847 2.969049 
1 1 1    8    1   19 o   37.177   0.9247  185.622   9.2334  191.492   12.140  177.568   14.221   37.759   1.1971   36.360   1.4562 1.399567 1.885063 
1 1 1    8    1   20 o  128.148   1.6861  2205.88   58.035  2264.88   93.030  2168.28   74.254  129.830   2.6678  127.042   2.1761 2.787415 3.442777 
1 1 1    8    1   21 o  186.333   1.9663  4664.31   98.411  4902.16  190.209  4577.36  114.999  190.945   3.7088  184.577   2.3197 6.367889 4.374469 
1 1 1    8    1   22 o  258.487   2.0295  8976.44  140.906  8969.88  199.163  8983.01  199.380  258.344   2.8702  258.533   2.8713 -0.1889038 4.059856 
1 1 1    8    1   23 o  189.798   1.5266  4838.87   77.821  4921.33  111.177  4759.65  108.968  191.387   2.1628  188.218   2.1555 3.169815 3.053479 
1 1 1    8    1   24 o  147.730   1.5062  2931.52   59.766  2913.07   84.200  2950.26   84.848  147.247   2.1290  148.184   2.1318 -0.9369049 3.012836 
1 1 1    8    1   25 o  146.663   1.4923  2889.36   58.786  2875.61   82.899  2903.27   83.374  146.296   2.1097  146.999   2.1117 -0.7019653 2.984979 
1 1 1    8    1   26 o  101.928   1.0672  1395.43   29.217  1423.05   44.181  1373.96   38.950  102.924   1.5982  101.136   1.4339 1.787933 2.147122 
1 1 1    8    1   27 o  157.958   1.5026  3351.69   63.751  3343.74   95.522  3358.08   85.606  157.744   2.2545  158.092   2.0161 -0.3476868 3.024470 
1 1 1    8    1   28 o  140.692   1.1851  2658.76   44.782  2699.25   63.860  2619.58   62.817  141.746   1.6774  139.638   1.6749 2.107513 2.370377 
1 1 1    8    1   29 o   95.224   0.9388  1217.91   24.011  1226.10   35.854  1211.25   32.332   95.536   1.3973   94.958   1.2677 0.5780258 1.886609 
1 1 1    8    1   30 o  231.182   2.0084  7182.35  124.711  7060.33  195.087  7266.67  162.175  229.094   3.1705  232.482   2.5972 -3.388184 4.098435 
1 1 1    8    1   31 o   97.971   0.9169  1289.23   24.126  1311.54   34.391  1267.61   33.854   98.807   1.2959   97.138   1.2976 1.668716 1.833854 
1 1 1    8    1   32 o  168.583   1.5155  3818.69   68.622  3755.13   87.703  3919.02  110.193  167.146   1.9536  170.717   2.4032 -3.571350 3.097032 
1 1 1    8    1   33 o   58.774   0.7811  463.985   12.331  475.980   18.512  454.416   16.533   59.523   1.1579   58.161   1.0583 1.362289 1.568695 
1 1 1    8    1   34 o   82.108   0.8361  905.584   18.439  895.669   25.945  915.703   26.211   81.649   1.1831   82.557   1.1821 -0.9081039 1.672418 
1 1 1    8    1   35 o  169.743   1.7108  3873.56   77.997  3872.25   98.538  3875.77  127.632  169.660   2.1624  169.639   2.8012 0.2114868E-01 3.538722 
1 1 1    8    1   36 o   26.799   0.8776   96.483   6.3169   92.148   8.0298  103.524   10.232   26.187   1.1416   27.753   1.3726 -1.566017 1.785333 
1 1 1    8    1   37 o  168.373   1.5187  3811.49   68.679  3909.55   98.734  3719.56   95.596  170.428   2.1569  166.238   2.1410 4.190018 3.039107 
1 1 1    8    1   38 o  126.970   1.1046  2166.47   37.669  2167.05   58.441  2166.06   49.270  126.928   1.7142  126.928   1.4452 -0.2822876E-03 2.242144 
1 1 1    8    1   39 o  100.266   0.9755  1350.86   26.271  1328.82   38.727  1369.65   35.755   99.410   1.4504  100.937   1.3189 -1.526848 1.960376 
1 1 1    8    1   40 o   37.310   0.8400  187.030   8.4181  187.888   11.239  185.935   12.706   37.389   1.1191   37.189   1.2720 0.1992798 1.694244 
1 1 1    8    1   41 o   39.235   0.7810  206.822   8.2304  204.360   11.656  209.270   11.623   38.991   1.1130   39.458   1.0967 -0.4661865 1.562543 
1 1 1    8    1   42 o   45.202   0.7978  274.548   9.6858  270.460   14.195  278.109   13.250   44.850   1.1783   45.484   1.0845 -0.6339226 1.601480 
1 1 1    8    1   43 o   28.915   0.9689  112.384   7.5247  106.425   10.372  119.006   10.933   28.125   1.3731   29.741   1.3687 -1.616125 1.938682 
1 1 1    8    1   44 o   50.026   0.8766  336.376   11.779  350.935   16.759  322.165   16.558   51.076   1.2217   48.935   1.2598 2.141010 1.754873 
1 1 1    8    1   45 o   74.915   0.8338  754.372   16.778  755.558   23.712  753.183   23.744   74.940   1.1780   74.822   1.1815 0.1182632 1.668428 
1 1 1    8    1   46 o   20.311   1.6027   55.946   8.6724   61.997   12.315   49.992   12.215   21.305   2.1829   19.062   2.4420 2.242960 3.275413 
1 1 1    8    1   47 o   35.738   0.8882  171.725   8.5252  175.842   12.417  168.053   11.726   36.140   1.2792   35.333   1.2356 0.8066025 1.778446 
1 1 1    8    1   48 o   24.441   1.0818   80.377   7.1016   82.540   9.8380   78.022   10.262   24.702   1.4898   24.001   1.6010 0.7017422 2.186939 
1 1 1    8    1   49 o   40.074   0.9283  216.000   9.9922  211.111   13.696  221.563   14.610   39.591   1.2880   40.554   1.3413 -0.9631653 1.859596 
1 1 1    8    1   50 o   27.501   1.0646  101.789   7.8635  119.786   11.782   87.334   10.559   29.803   1.4719   25.395   1.5556 4.408400 2.141569 
1 1 1    8    1   51 o   38.793   0.8809  202.441   9.1781  201.018   12.934  203.883   13.026   38.625   1.2468   38.899   1.2467 -0.2742310 1.763175 
1 1 1    8    1   52 o   24.322   1.2465   79.942   8.1154   81.277   10.781   78.197   12.328   24.467   1.6501   23.949   1.9330 0.5189838 2.541549 
1 1 1    8    1   53 o   39.677   0.9567  211.911   10.196  211.300   13.520  212.717   15.526   39.585   1.2716   39.692   1.4563 -0.1073036 1.933328 
1 1 1    8    1   54 o   21.403   1.5828   62.259   9.0345   49.940   13.315   72.768   12.299   18.926   2.6957   23.072   2.0046 -4.146219 3.359291 
1 1 1    8    1   55 o   47.508   0.9392  303.824   11.984  300.913   15.994  307.550   18.096   47.236   1.2606   47.728   1.4116 -0.4924889 1.892581 
1 1 1    8    1   56 o   29.788   1.1612  119.606   9.2908  111.515   12.151  130.997   14.416   28.674   1.5839   31.055   1.7352 -2.381592 2.349393 
1 1 1    8    1   57 o   46.407   0.9952  290.092   12.405  289.544   19.465  290.466   16.097   46.262   1.5665   46.390   1.2919 -0.1282082 2.030511 
1 1 1    8    1   58 o   34.810   1.0302  163.330   9.6322  156.700   13.385  170.451   13.872   34.033   1.4643   35.497   1.4550 -1.463570 2.064228 
1 1 1    8    1   59 o   12.123   2.4514   20.909   7.7080   6.6896   11.041   34.430   10.766   8.5293   3.3310   15.586   2.6677 -7.056368 4.267567 
1 1 1    8    1   60 o   51.836   0.9030  362.287   12.571  371.723   17.776  352.845   17.781   52.407   1.2629   51.048   1.2968 1.358833 1.810158 
1 1 1    8    1   61 o   59.128   1.1102  472.867   17.631  473.157   24.946  472.579   24.923   58.934   1.5760   58.898   1.5754 0.3575516E-01 2.228390 
1 1 1    8    1   62 o   10.789   3.1332   17.102   9.6170   12.478   15.064   20.283   12.495   10.276   3.9229   11.701   3.6128 -1.424884 5.333093 
1 1 1    8    1   63 o   11.138   3.0279   18.480   9.2958   16.679   12.295   20.885   14.203   10.739   3.6086   11.812   3.8757 -1.073126 5.295584 
1 1 1    8    2  -62 o   21.759   1.7575   65.370   10.184   55.506   13.901   76.796   14.961   19.672   2.7023   23.321   2.4239 -3.649464 3.630104 
1 1 1    8    2  -61 o   11.773   2.4495   19.947   7.4935   26.521   10.919   14.094   10.303   13.424   3.0922   10.038   3.3012 3.385456 4.523260 
1 1 1    8    2  -60 o   7.1311   2.7786   4.6530   7.6688   10.400   10.140  -3.0274   11.722   9.1235   3.2650   7.0290   3.1179 2.094419 4.514613 
1 1 1    8    2  -59 o   21.642   1.4594   63.757   8.4339   75.235   11.877   52.080   11.979   23.413   1.9052   19.331   2.3559 4.082205 3.029817 
1 1 1    8    2  -58 o   24.917   1.2458   83.845   8.3372   78.044   11.522   90.220   12.079   23.900   1.8082   25.718   1.7592 -1.817453 2.522795 
1 1 1    8    2  -57 o   42.196   1.0922  240.003   12.378  243.379   17.240  236.411   17.782   42.419   1.5132   41.793   1.5841 0.6259422 2.190729 
1 1 1    8    2  -56 o   32.128   1.0914  139.089   9.4180  133.191   13.243  145.123   13.396   31.343   1.5782   32.765   1.5222 -1.422318 2.192669 
1 1 1    8    2  -55 o   8.3865   2.8942   8.8196   7.9165   10.815   11.219   6.8401   11.173   9.5407   3.4322   8.6593   3.3594 0.8814592 4.802680 
1 1 1    8    2  -54 o   36.939   0.9492  183.688   9.4173  186.726   13.320  180.651   13.316   37.200   1.3331   36.587   1.3551 0.6129913 1.900892 
1 1 1    8    2  -53 o   16.357   1.6944   36.577   7.3363   49.928   11.297   26.839   9.6476   19.029   2.2540   13.780   2.7033 5.249636 3.519727 
1 1 1    8    2  -52 o   40.081   0.9450  216.215   10.173  218.772   13.617  212.985   15.305   40.283   1.2586   39.724   1.4344 0.5592995 1.908291 
1 1 1    8    2  -51 o   45.630   0.8607  280.082   10.549  276.856   15.325  282.987   14.543   45.324   1.2589   45.833   1.1814 -0.5087166 1.726400 
1 1 1    8    2  -50 o   58.246   0.8509  456.277   13.312  465.783   19.510  447.996   18.210   58.803   1.2353   57.677   1.1755 1.125362 1.705195 
1 1 1    8    2  -49 o   43.035   0.8832  249.066   10.209  243.129   13.589  256.758   15.468   42.494   1.1906   43.656   1.3192 -1.162003 1.777025 
1 1 1    8    2  -48 o   70.900   0.8720  675.945   16.605  675.797   24.710  676.066   22.422   70.838   1.2987   70.870   1.1779 -0.3182220E-01 1.753366 
1 1 1    8    2  -47 o   77.749   1.2555  813.805   26.217  815.965   37.047  811.639   37.107   77.757   1.7739   77.549   1.7815 0.2080231 2.514037 
1 1 1    8    2  -46 o   44.219   0.8040  262.840   9.5490  256.257   13.359  269.717   13.654   43.641   1.1397   44.773   1.1354 -1.131828 1.608770 
1 1 1    8    2  -45 f   59.607   0.7908  477.543   12.661  484.281   18.022  470.978   17.790   60.000   1.1183   59.171   1.1194 0.8299141 1.582264 
1 1 1    8    2  -44 o   83.103   0.9423  928.441   21.032  937.516   29.948  919.609   29.543   83.464   1.3359   82.663   1.3306 0.8002396 1.885517 
1 1 1    8    2  -43 o   83.925   0.8630  946.635   19.453  950.836   27.559  942.464   27.461   84.079   1.2204   83.708   1.2214 0.3710861 1.726598 
1 1 1    8    2  -42 o   49.518   0.7958  329.478   10.584  326.122   14.342  333.492   15.684   49.253   1.0841   49.802   1.1725 -0.5490112 1.596892 
1 1 1    8    2  -41 o   42.092   0.7949  238.050   8.9865  245.266   13.166  231.757   12.296   42.714   1.1476   41.522   1.1025 1.191330 1.591427 
1 1 1    8    2  -40 o   97.310   1.1352  1272.80   29.671  1297.01   42.482  1249.73   41.459   98.187   1.6109   96.382   1.6015 1.805161 2.271494 
1 1 1    8    2  -39 o   85.997   0.8995  993.677   20.776  991.193   28.210  996.621   30.712   85.871   1.2231   86.099   1.3281 -0.2276993 1.805490 
1 1 1    8    2  -38 o   97.489   0.9698  1277.05   25.395  1290.88   37.940  1265.81   34.182   97.985   1.4416   97.038   1.3115 0.9462738 1.948895 
1 1 1    8    2  -37 o   44.188   1.0298  262.362   12.222  261.891   21.149  262.598   14.977   44.124   1.7845   44.202   1.2615 -0.7746887E-01 2.185376 
1 1 1    8    2  -36 o  125.601   1.1455  2119.84   38.643  2121.83   57.375  2118.18   52.278  125.615   1.7006  125.521   1.5506 0.9422302E-01 2.301391 
1 1 1    8    2  -35 o   71.281   0.9629  682.602   18.435  675.552   23.393  694.156   29.947   70.904   1.2284   71.861   1.5516 -0.9570236 1.978954 
1 1 1    8    2  -34 o  149.201   1.2493  2991.10   50.066  2973.56   70.558  3008.90   71.052  148.724   1.7663  149.605   1.7682 -0.8809967 2.499323 
1 1 1    8    2  -33 o   95.892   0.9949  1235.22   25.625  1224.84   36.152  1245.71   36.328   95.474   1.4098   96.285   1.4047 -0.8102188 1.990172 
1 1 1    8    2  -32 o  102.392   0.9825  1408.30   27.019  1420.04   40.014  1398.46   36.631  102.804   1.4491  102.024   1.3368 0.7802963 1.971548 
1 1 1    8    2  -31 o  134.054   1.1439  2414.01   41.188  2436.61   58.531  2391.84   57.971  134.662   1.6183  133.419   1.6177 1.242966 2.288181 
1 1 1    8    2  -30 o  241.460   2.0923  7836.00  135.691  7801.17  191.361  7871.23  192.436  240.828   2.9584  241.906   2.9617 -1.078506 4.186156 
1 1 1    8    2  -29 o  228.304   1.9849  7004.22  121.713  6999.82  171.842  7008.65  172.416  228.161   2.8041  228.305   2.8117 -0.1430359 3.970991 
1 1 1    8    2  -28 o  151.580   1.3794  3086.48   56.158  3051.31   72.019  3141.03   89.699  150.701   1.7793  152.883   2.1844 -2.182465 2.817349 
1 1 1    8    2  -27 o  210.106   1.8361  5930.93  103.617  5863.13  162.556  5977.34  134.479  208.835   2.8981  210.896   2.3741 -2.060760 3.746318 
1 1 1    8    2  -26 o  181.617   1.6088  4431.05   78.477  4295.42  121.659  4527.71  102.700  178.777   2.5336  183.569   2.0830 -4.792252 3.279923 
1 1 1    8    2  -25 o   91.259   1.0551  1118.58   25.862  1153.26   36.991  1085.43   36.172   92.658   1.4864   89.891   1.4982 2.766533 2.110395 
1 1 1    8    2  -24 o  139.915   1.5424  2629.62   57.962  2696.00   89.738  2582.11   75.924  141.646   2.3587  138.633   2.0390 3.013992 3.117883 
1 1 1    8    2  -23 o  153.249   1.3207  3154.49   54.361  3059.91   79.112  3239.09   74.823  150.919   1.9517  155.279   1.7940 -4.360306 2.650973 
1 1 1    8    2  -22 o  156.320   1.4836  3282.30   62.289  3230.77   92.447  3325.15   84.296  155.067   2.2196  157.323   1.9949 -2.255890 2.984357 
1 1 1    8    2  -21 o  197.898   1.7331  5261.05   92.122  5185.51  117.932  5379.29  147.550  196.453   2.2350  200.065   2.7458 -3.611893 3.540476 
1 1 1    8    2  -20 o  198.665   1.5881  5301.46   84.742  5223.70  118.802  5382.01  120.913  197.182   2.2432  200.147   2.2492 -2.965347 3.176610 
1 1 1    8    2  -19 o  161.170   1.3174  3488.88   57.030  3490.80   80.660  3486.96   80.644  161.204   1.8629  161.115   1.8636 0.8866882E-01 2.635011 
1 1 1    8    2  -18 o  225.921   1.7867  6855.88  108.415  6839.86  153.066  6872.02  153.580  225.634   2.5257  226.164   2.5282 -0.5297089 3.573683 
1 1 1    8    2  -17 o  227.600   1.7984  6957.97  109.941  6892.69  154.506  7024.93  156.474  226.510   2.5396  228.673   2.5476 -2.162430 3.597208 
1 1 1    8    2  -16 o  258.143   2.0239  8950.80  140.329  8746.47  195.538  9167.80  201.508  255.156   2.8532  261.228   2.8720 -6.072708 4.048338 
1 1 1    8    2  -15 o  294.776   2.2067 11671.51  174.715 11344.04  233.724 12086.26  263.034  290.589   2.9946  299.935   3.2651 -9.345978 4.430365 
1 1 1    8    2  -14 o  196.445   1.5686  5182.97   82.765  5246.42  109.023  5096.67  127.152  197.638   2.0538  194.792   2.4303 2.846390 3.181885 
1 1 1    8    2  -13 o  276.907   2.2594 10298.95  168.044 10154.79  225.466 10479.11  252.048  274.945   3.0531  279.294   3.3599 -4.348267 4.539895 
1 1 1    8    2  -12 o  103.982   1.0140  1452.09   28.321  1466.98   40.261  1437.51   39.845  104.513   1.4342  103.457   1.4339 1.055443 2.028092 
1 1 1    8    2  -11 o   50.146   1.1221  337.714   15.113  319.400   30.952  343.447   17.317   48.765   2.3631   50.570   1.2750 -1.804798 2.685123 
1 1 1    8    2  -10 o  166.192   2.0897  3709.57   93.277  3861.04  151.195  3616.50  118.520  169.537   3.3203  164.088   2.6892 5.449478 4.272736 
1 1 1    8    2   -9 o  397.794   5.3215 21264.63  568.567 21059.67  798.970 21474.92  809.279  395.746   7.5166  399.627   7.5397 -3.880951 10.64640 
1 1 1    8    2   -8 o  368.626   3.4913 18253.78  345.677 18068.71  434.462 18573.05  570.647  366.723   4.4108  371.751   5.7151 -5.027985 7.219273 
1 1 1    8    2   -7 o  439.733   3.7105 25976.05  438.238 25154.97  678.244 26564.54  574.195  432.630   5.8368  444.640   4.8079 -12.01031 7.562074 
1 1 1    8    2   -6 o  499.951   3.8431 33578.38  516.063 33336.06  726.468 33825.22  733.225  498.062   5.4305  501.702   5.4413 -3.640198 7.687514 
1 1 1    8    2   -5 o  498.736   3.8340 33415.41  513.589 33773.04  731.672 33068.04  721.092  501.314   5.4339  496.055   5.4121 5.258728 7.669353 
1 1 1    8    2   -4 o  439.010   3.3801 25889.56  398.567 25957.07  564.546 25822.47  562.777  439.525   4.7822  438.384   4.7796 1.140900 6.761171 
1 1 1    8    2   -3 o  411.457   3.1719 22741.08  350.539 22806.74  496.862 22676.01  494.619  412.002   4.4900  410.820   4.4826 1.182190 6.344558 
1 1 1    8    2   -2 o  847.052   6.7792 96459.90  1542.33 95411.56  2268.66 97360.80  2103.10  841.900   10.033  850.614   9.2053 -8.713928 13.61586 
1 1 1    8    2   -1 o  371.677   2.9996 18556.02  299.446 18588.40  405.839 18517.33  443.642  371.969   4.0622  371.242   4.4492 0.7261353 6.024662 
1 1 1    8    2    0 o  503.908   4.2420 34115.22  574.135 34222.84  742.882 33955.59  904.734  504.631   5.4809  502.569   6.7024 2.061951 8.658133 
1 1 1    8    2    1 o  418.577   3.5331 23536.40  397.217 23365.21  510.379 23799.38  632.591  417.012   4.5567  420.816   5.5968 -3.804657 7.217184 
1 1 1    8    2    2 o  670.929   5.6339 60497.28  1015.27 60137.82  1305.50 61047.38  1614.98  668.768   7.2679  673.596   8.9264 -4.827881 11.51097 
1 1 1    8    2    3 o  386.699   3.1177 20086.56  323.820 20124.79  439.053 20040.97  479.518  387.030   4.2236  386.208   4.6227 0.8226013 6.261594 
1 1 1    8    2    4 o  357.568   3.0290 17173.95  290.908 17291.42  377.275 17001.69  456.870  358.763   3.9152  355.714   4.7819 3.049042 6.180243 
1 1 1    8    2    5 o  120.869   1.0734  1962.01   34.847  1952.74   47.101  1973.21   51.796  120.582   1.4543  121.211   1.5910 -0.6296616 2.155496 
1 1 1    8    2    6 o  284.962   2.2204 10906.49  169.946 10939.30  240.824 10873.95  239.859  285.375   3.1419  284.521   3.1387 0.8536377 4.441042 
1 1 1    8    2    7 o  449.331   3.6131 27122.00  436.053 27081.40  646.190 27155.95  590.861  448.917   5.3592  449.558   4.8934 -0.6412964 7.257157 
1 1 1    8    2    8 o  386.868   2.9874 20103.61  310.418 20174.98  440.062 20032.93  437.942  387.515   4.2280  386.149   4.2225 1.366425 5.975393 
1 1 1    8    2    9 o  268.442   2.1915  9678.54  158.008  9790.36  215.341  9548.12  232.564  269.976   2.9697  266.610   3.2477 3.366089 4.400743 
1 1 1    8    2   10 o  154.312   1.5465  3198.05   64.099  3199.98   90.537  3196.12   90.763  154.354   2.1838  154.261   2.1906 0.9309387E-01 3.093169 
1 1 1    8    2   11 o  522.877   4.9205 36738.21  691.043 36294.49  969.269 37196.92  985.498  519.558   6.9457  525.975   6.9759 -6.416870 9.844089 
1 1 1    8    2   12 o  441.245   3.7239 26156.36  441.332 26278.84  625.964 26035.30  622.326  442.196   5.2704  440.143   5.2642 2.053406 7.449073 
1 1 1    8    2   13 o  482.262   4.0646 31248.73  526.499 31051.52  741.301 31449.48  747.907  480.625   5.7424  483.694   5.7568 -3.068970 8.131228 
1 1 1    8    2   14 o  301.368   2.5702 12199.71  208.048 12157.64  293.494 12242.21  294.960  300.816   3.6325  301.860   3.6380 -1.044281 5.141043 
1 1 1    8    2   15 o  216.730   2.1053  6309.22  122.553  6071.41  169.320  6570.90  177.610  212.589   2.9653  221.160   2.9900 -8.571289 4.211089 
1 1 1    8    2   16 o  180.632   1.5958  4382.28   77.421  4349.06   99.402  4433.50  123.441  179.939   2.0567  181.668   2.5298 -1.729416 3.260387 
1 1 1    8    2   17 o  398.319   3.0764 21317.92  329.130 21306.85  465.247 21329.01  465.674  398.114   4.3509  398.321   4.3527 -0.2067871 6.154392 
1 1 1    8    2   18 o  486.395   3.7444 31799.89  489.171 31193.99  683.300 32436.88  700.609  481.527   5.2832  491.021   5.3123 -9.494446 7.492205 
1 1 1    8    2   19 o  114.513   0.9999  1761.19   30.753  1760.12   43.468  1762.26   43.515  114.474   1.4137  114.544   1.4144 -0.6963348E-01 1.999795 
1 1 1    8    2   20 o   81.609   1.1228  894.505   24.611  887.342   42.280  898.176   30.268   81.273   1.9369   81.774   1.3781 -0.5009460 2.377081 
1 1 1    8    2   21 o  178.501   1.8916  4280.50   90.692  4308.06  120.466  4244.45  137.788  179.051   2.5049  177.706   2.8868 1.344681 3.822077 
1 1 1    8    2   22 o   66.726   0.9098  597.978   16.305  549.432   32.536  614.258   18.841   63.952   1.8942   67.627   1.0373 -3.675625 2.159591 
1 1 1    8    2   23 o   97.323   0.8968  1272.12   23.442  1257.20   32.966  1287.39   33.341   96.747   1.2686   97.902   1.2679 -1.154808 1.793626 
1 1 1    8    2   24 o   68.135   0.7443  623.478   13.621  622.207   19.255  624.751   19.271   68.063   1.0533   68.202   1.0520 -0.1389618 1.488666 
1 1 1    8    2   25 o  113.441   1.0465  1728.44   31.885  1759.44   47.757  1703.51   42.828  114.446   1.5536  112.615   1.4159 1.831062 2.102057 
1 1 1    8    2   26 o   42.232   0.8364  239.540   9.4869  249.402   13.571  230.115   13.267   43.091   1.1726   41.391   1.1934 1.699856 1.673039 
1 1 1    8    2   27 o  114.846   1.0129  1771.53   31.246  1754.89   43.925  1788.57   44.456  114.298   1.4308  115.389   1.4344 -1.091484 2.026024 
1 1 1    8    2   28 o   79.582   0.8878  850.625   18.977  850.095   29.935  850.981   24.537   79.550   1.4010   79.596   1.1477 -0.4505157E-01 1.811126 
1 1 1    8    2   29 o  299.257   2.4415 12038.20  196.242 12083.05  291.475 12001.01  265.408  299.645   3.6216  298.677   3.3084 0.9678040 4.905276 
1 1 1    8    2   30 o  132.106   1.2350  2344.37   43.822  2279.80   60.994  2413.25   63.001  130.256   1.7434  134.014   1.7503 -3.757843 2.470404 
1 1 1    8    2   31 o  172.298   1.4094  3988.41   65.224  3993.43   92.237  3983.39   92.244  172.371   1.9923  172.154   1.9949 0.2170258 2.819380 
1 1 1    8    2   32 o  187.019   1.5140  4699.72   76.050  4729.92  107.949  4669.96  107.157  187.567   2.1427  186.374   2.1406 1.192490 3.028807 
1 1 1    8    2   33 o   79.913   0.9508  857.852   20.407  833.154   24.532  913.343   36.772   78.750   1.1598   82.436   1.6607 -3.686310 2.025656 
1 1 1    8    2   34 o   81.384   1.0303  889.799   22.522  900.962   28.455  871.080   36.849   81.884   1.2938   80.498   1.7043 1.385910 2.139743 
1 1 1    8    2   35 o   77.233   0.9586  801.362   19.886  802.731   29.909  800.278   26.624   77.282   1.4409   77.170   1.2845 0.1117783 1.930283 
1 1 1    8    2   36 o  124.265   1.0846  2074.86   36.200  2085.85   47.548  2059.70   55.834  124.570   1.4211  123.764   1.6796 0.8060150 2.200166 
1 1 1    8    2   37 o   89.664   0.8798  1080.12   21.187  1080.38   29.965  1079.86   29.962   89.657   1.2443   89.636   1.2445 0.2157593E-01 1.759878 
1 1 1    8    2   38 o  176.798   1.6668  4204.33   79.151  4236.13  106.848  4165.67  117.828  177.353   2.2430  175.812   2.4952 1.540329 3.355192 
1 1 1    8    2   39 o   39.477   0.9384  209.400   9.9504  205.005   15.066  212.801   13.252   39.046   1.4366   39.788   1.2401 -0.7418938 1.897763 
1 1 1    8    2   40 o   80.200   0.8052  864.187   17.346  859.642   25.664  868.009   23.535   79.968   1.1949   80.363   1.0904 -0.3948288 1.617598 
1 1 1    8    2   41 o  130.804   1.0889  2299.86   38.256  2307.51   56.466  2293.37   52.013  130.951   1.6054  130.568   1.4831 0.3829956 2.185644 
1 1 1    8    2   42 o   49.611   0.8543  330.746   11.383  339.518   18.810  325.676   14.299   50.237   1.3940   49.219   1.0816 1.017822 1.764435 
1 1 1    8    2   43 o   46.476   0.8726  290.308   10.893  299.206   15.568  281.772   15.248   47.164   1.2289   45.769   1.2403 1.395378 1.746023 
1 1 1    8    2   44 o   36.870   0.8720  182.730   8.6354  186.497   12.271  179.035   12.154   37.232   1.2271   36.479   1.2405 0.7531509 1.744881 
1 1 1    8    2   45 f   41.350   0.8922  229.867   9.9092  225.256   13.933  234.587   14.096   40.911   1.2679   41.751   1.2570 -0.8394966 1.785452 
1 1 1    8    2   46 o   46.982   0.8275  296.725   10.442  304.647   15.375  289.943   14.225   47.578   1.2031   46.421   1.1409 1.157433 1.658074 
1 1 1    8    2   47 o   34.405   1.0303  159.231   9.5213  160.060   12.921  158.246   14.084   34.471   1.3956   34.264   1.5304 0.2064362 2.071181 
1 1 1    8    2   48 o   59.376   0.8693  474.054   13.863  472.081   19.591  476.033   19.621   59.214   1.2318   59.462   1.2285 -0.2477074 1.739716 
1 1 1    8    2   49 o   29.857   0.9682  119.924   7.7643  119.404   11.033  120.435   10.928   29.766   1.3800   29.896   1.3609 -0.1296291 1.938202 
1 1 1    8    2   50 o   33.687   1.0357  152.730   9.3714  145.034   13.944  159.070   12.656   32.781   1.5837   34.352   1.3717 -1.571033 2.095146 
1 1 1    8    2   51 o   39.203   0.9521  206.818   10.026  216.864   14.551  197.738   13.833   40.103   1.3509   38.295   1.3449 1.808586 1.906200 
1 1 1    8    2   52 o   34.400   0.9481  159.266   8.7597  149.868   12.359  168.752   12.417   33.328   1.3807   35.374   1.3069 -2.045975 1.901091 
1 1 1    8    2   53 o   14.038   1.8607   27.156   6.8431   26.068   9.8338   28.179   9.5287   13.558   2.7933   14.149   2.6033 -0.5908461 3.818363 
1 1 1    8    2   54 o   23.703   1.8044   76.540   11.401   71.555   15.333   82.703   17.051   22.750   2.5534   24.456   2.6376 -1.705372 3.671046 
1 1 1    8    2   55 o   44.907   0.8947  271.410   10.792  269.633   15.054  273.290   15.478   44.713   1.2535   45.011   1.2803 -0.2980652 1.791766 
1 1 1    8    2   56 o   22.224   1.3928   66.955   8.2723   69.833   12.021   64.366   11.401   22.590   2.0020   21.685   1.9793 0.9043751 2.815239 
1 1 1    8    2   57 o   8.9776   2.8566   10.938   7.7525   12.727   10.336   8.6363   11.721   9.8381   3.3088   9.1410   3.4674 0.6970196 4.792747 
1 1 1    8    2   58 o   54.979   0.9399  407.223   13.880  418.012   21.026  398.890   18.478   55.593   1.4081   54.343   1.2659 1.249447 1.893523 
1 1 1    8    2   59 o   44.784   0.9378  270.363   11.280  277.869   15.956  262.864   15.949   45.320   1.3108   44.070   1.3474 1.249752 1.879812 
1 1 1    8    2   60 o   34.985   1.2010  165.591   11.285  148.638   16.698  179.846   15.312   32.914   1.8968   36.366   1.5676 -3.451881 2.460789 
1 1 1    8    2   61 o   26.584   1.3183   95.911   9.4133   87.710   13.088  104.699   13.549   25.197   1.9490   27.582   1.8394 -2.385166 2.679946 
1 1 1    8    2   62 o   27.639   1.8887  105.640   13.937  122.673   17.659   77.511   22.694   29.626   2.2357   22.625   3.8738 7.001019 4.472672 
1 1 1    8    3  -62 o   11.059   2.9498   18.103   8.9232   19.463   12.440   16.662   12.807   11.450   3.6159   10.808   3.6827 0.6419697 5.161145 
1 1 1    8    3  -61 o   16.883   1.8854   39.595   8.4033   46.490   12.175   33.322   11.613   18.067   2.5825   15.106   2.9681 2.960707 3.934272 
1 1 1    8    3  -60 o   32.358   1.1054  141.547   9.6074  141.117   14.466  141.886   12.851   32.128   1.6822   32.313   1.4807 -0.1842690 2.241057 
1 1 1    8    3  -59 o   56.853   0.9476  435.858   14.470  453.945   20.636  418.364   20.295   57.907   1.3268   55.580   1.3595 2.326790 1.899615 
1 1 1    8    3  -58 o   13.493   2.1193   25.437   7.4275   40.904   10.594   10.482   10.417   17.119   2.3673   9.2563   3.3096 7.863040 4.069111 
1 1 1    8    3  -57 o   43.655   1.0650  256.883   12.488  262.955   17.763  250.949   17.560   44.087   1.5000   43.065   1.5181 1.021996 2.134215 
1 1 1    8    3  -56 o   45.674   0.9727  280.935   11.933  296.454   16.971  265.760   16.782   46.859   1.3484   44.356   1.4086 2.502834 1.949969 
1 1 1    8    3  -55 o   16.532   1.6498   37.339   7.2277   39.446   10.460   35.413   9.9989   16.850   2.3773   15.941   2.4106 0.9085255 3.385585 
1 1 1    8    3  -54 o   34.536   1.0291  160.642   9.5465  160.120   12.870  161.282   14.234   34.439   1.3914   34.544   1.5341 -0.1052589 2.071083 
1 1 1    8    3  -53 o   20.542   1.5397   57.337   8.4331   61.592   11.965   53.137   11.888   21.186   2.1316   19.627   2.2986 1.558989 3.134910 
1 1 1    8    3  -52 f   20.872   1.2687   58.958   7.0789   63.397   9.9932   54.486   10.029   21.577   1.7391   19.965   1.8928 1.611315 2.570480 
1 1 1    8    3  -51 o   81.307   0.9161  889.540   20.006  894.132   29.359  885.560   27.335   81.426   1.3424   81.056   1.2556 0.3700256 1.838064 
1 1 1    8    3  -50 o   28.190   0.9977  106.941   7.5537  101.627   10.750  112.125   10.617   27.409   1.4655   28.838   1.3707 -1.429501 2.006598 
1 1 1    8    3  -49 o   51.769   0.9199  360.494   12.791  363.262   17.172  357.045   19.172   51.935   1.2311   51.468   1.3869 0.4661331 1.854424 
1 1 1    8    3  -48 o   81.225   0.9136  887.307   19.932  912.457   29.969  867.356   26.691   82.297   1.3558   80.258   1.2382 2.038445 1.836107 
1 1 1    8    3  -47 o   25.634   1.0064   88.393   6.9296   85.626   9.6454   91.345   9.9620   25.168   1.4328   25.998   1.4322 -0.8295994 2.025800 
1 1 1    8    3  -46 o   77.291   0.9987  803.481   20.732  795.428   31.247  809.814   27.711   76.827   1.5143   77.550   1.3304 -0.7222900 2.015671 
1 1 1    8    3  -45 o   69.775   0.8913  654.560   16.705  671.623   23.799  637.991   23.453   70.641   1.2543   68.848   1.2683 1.793068 1.783776 
1 1 1    8    3  -44 o   39.133   0.8324  205.839   8.7487  193.880   11.864  220.092   12.952   37.963   1.1635   40.447   1.1923 -2.483215 1.665926 
1 1 1    8    3  -43 f   16.448   1.2880   36.620   5.6447   36.931   7.8775   36.293   8.0924   16.455   1.8125   16.300   1.8831 0.1546764 2.613626 
1 1 1    8    3  -42 o   8.8278   2.2189   10.925   5.2554   10.288   7.1759   11.661   7.7181   8.7654   2.7431   9.2748   2.8355 -0.5094309 3.945199 
1 1 1    8    3  -41 o  102.456   1.1753  1411.34   32.343  1398.34   41.081  1432.52   52.458  101.947   1.5003  103.129   1.8938 -1.181931 2.416065 
1 1 1    8    3  -40 o   13.538   2.0090   25.220   7.0837   25.961   9.7114   24.378   10.355   13.625   2.7485   13.171   2.9949 0.4540634 4.064918 
1 1 1    8    3  -39 o  102.188   1.0379  1403.34   28.488  1391.50   40.214  1415.28   40.364  101.720   1.4719  102.586   1.4649 -0.8660889 2.076645 
1 1 1    8    3  -38 o   40.678   0.7642  222.298   8.3499  225.594   11.881  219.081   11.737   40.972   1.0796   40.376   1.0823 0.5959282 1.528733 
1 1 1    8    3  -37 o  142.221   1.3177  2718.93   50.334  2665.04   78.470  2756.60   65.610  140.707   2.0763  143.158   1.7063 -2.450607 2.687506 
1 1 1    8    3  -36 o   56.753   0.7436  432.663   11.335  422.293   15.912  443.345   16.151   56.061   1.0568   57.441   1.0468 -1.380600 1.487499 
1 1 1    8    3  -35 o   74.661   0.9333  748.869   18.715  766.818   25.283  727.112   27.836   75.539   1.2461   73.551   1.4091 1.988426 1.881040 
1 1 1    8    3  -34 f  137.290   1.2771  2532.76   47.094  2544.82   61.073  2515.06   73.966  137.589   1.6526  136.749   2.0138 0.8396606 2.605098 
1 1 1    8    3  -33 o  158.085   1.3101  3357.95   55.626  3382.92   78.974  3333.36   78.363  158.630   1.8536  157.463   1.8529 1.166214 2.620827 
1 1 1    8    3  -32 o  105.859   1.0591  1505.38   30.113  1480.72   42.289  1530.73   42.888  104.973   1.4999  106.731   1.4961 -1.758141 2.118477 
1 1 1    8    3  -31 o   34.430   0.7760  159.223   7.1761  151.229   10.288  166.798   10.015   33.552   1.1416   35.238   1.0581 -1.685520 1.556548 
1 1 1    8    3  -30 o  127.403   1.2062  2180.43   41.275  2162.80   58.137  2198.34   58.610  126.869   1.7061  127.907   1.7060 -1.038033 2.412735 
1 1 1    8    3  -29 o  233.518   1.9322  7327.91  121.191  7358.85  164.502  7291.19  179.221  233.948   2.6179  232.843   2.8657 1.105072 3.881492 
1 1 1    8    3  -28 o   61.515   0.9764  508.268   16.133  521.396   21.296  490.585   24.715   62.302   1.2726   60.430   1.5227 1.872063 1.984527 
1 1 1    8    3  -27 o  113.164   1.3202  1720.22   40.126  1690.17   52.473  1762.53   62.270  112.162   1.7418  114.530   2.0243 -2.367516 2.670501 
1 1 1    8    3  -26 o  197.327   1.7338  5231.14   91.890  5147.13  143.633  5289.35  119.558  195.683   2.7328  198.397   2.2436 -2.714600 3.535830 
1 1 1    8    3  -25 o  149.921   1.4382  3019.19   57.912  3144.32  102.557  2960.62   70.170  152.960   2.4963  148.451   1.7598 4.509186 3.054260 
1 1 1    8    3  -24 o  290.121   2.4846 11311.12  193.607 11308.94  273.468 11313.32  274.136  289.998   3.5109  290.053   3.5188 -0.5523682E-01 4.970759 
1 1 1    8    3  -23 o  225.531   1.7865  6833.04  108.221  6763.87  151.999  6904.15  154.119  224.350   2.5224  226.664   2.5315 -2.314133 3.573694 
1 1 1    8    3  -22 o  357.958   3.0394 17223.39  292.225 17811.08  472.276 16858.79  371.987  363.763   4.8338  354.044   3.9118 9.718781 6.218322 
1 1 1    8    3  -21 o  237.000   1.9536  7546.01  124.357  7486.37  183.610  7596.56  169.027  236.011   2.8965  237.757   2.6469 -1.746246 3.923719 
1 1 1    8    3  -20 o  173.648   1.4679  4050.31   68.462  4054.52   85.926  4043.00  113.291  173.729   1.8414  173.462   2.4316 0.2667847 3.050200 
1 1 1    8    3  -19 o   83.720   1.1356  941.375   25.536  987.015   44.846  919.477   31.064   85.716   1.9479   82.738   1.3979 2.978310 2.397574 
1 1 1    8    3  -18 o  152.884   1.2580  3139.31   51.657  3069.96   66.639  3243.73   81.770  151.179   1.6411  155.393   1.9592 -4.213150 2.555712 
1 1 1    8    3  -17 o  342.771   2.6574 15785.69  244.655 15755.93  319.896 15827.62  379.739  342.394   3.4785  343.119   4.1205 -0.7254333 5.392425 
1 1 1    8    3  -16 o  420.675   3.1176 23778.37  352.253 23994.70  482.922 23532.41  514.940  422.489   4.2557  418.367   4.5825 4.122070 6.253848 
1 1 1    8    3  -15 o  323.649   2.6257 14071.74  228.250 14204.90  340.437 13963.00  307.637  325.115   3.8986  322.354   3.5531 2.761230 5.274835 
1 1 1    8    3  -14 o  406.339   3.1365 22182.24  342.310 21823.37  478.914 22557.09  489.457  402.962   4.4249  409.678   4.4482 -6.716217 6.274198 
1 1 1    8    3  -13 o  400.832   3.0942 21583.68  333.126 21520.95  470.255 21646.86  471.971  400.185   4.3750  401.354   4.3782 -1.168732 6.189470 
1 1 1    8    3  -12 o  400.072   3.2258 21501.70  346.629 21630.76  516.191 21395.70  467.790  401.197   4.7903  399.034   4.3646 2.162872 6.480494 
1 1 1    8    3  -11 o  161.656   1.4421  3509.70   62.615  3507.44   88.634  3511.95   88.468  161.600   2.0421  161.703   2.0369 -0.1037903 2.884282 
1 1 1    8    3  -10 o  387.277   3.1240 20147.14  324.951 20517.47  487.638 19851.33  435.817  390.762   4.6462  384.384   4.2213 6.377380 6.277427 
1 1 1    8    3   -9 o  211.616   1.8386  6014.41  104.502  5947.52  164.319  6059.84  135.416  210.423   2.9074  212.408   2.3736 -1.984787 3.753249 
1 1 1    8    3   -8 o  251.117   2.7852  8470.21  187.853  8391.76  263.922  8550.78  267.442  249.929   3.9316  252.286   3.9468 -2.356644 5.570863 
1 1 1    8    3   -7 o  449.698   4.2407 27169.63  512.208 26839.63  642.747 27743.88  847.876  446.905   5.3547  454.268   6.9491 -7.363892 8.772820 
1 1 1    8    3   -6 o  606.945   5.1007 49501.23  831.514 49806.38  1077.87 49052.71  1306.79  608.692   6.5929  603.923   8.0562 4.769409 10.41007 
1 1 1    8    3   -5 o  465.816   3.5841 29148.52  448.424 29075.29  633.350 29222.12  634.987  465.163   5.0693  466.336   5.0696 -1.172943 7.169276 
1 1 1    8    3   -4 o  478.078   3.6763 30703.71  472.063 31013.51  672.076 30402.03  663.208  480.410   5.2085  475.651   5.1912 4.758606 7.353743 
1 1 1    8    3   -3 o  576.485   4.4242 44650.89  685.041 44348.26  964.258 44959.30  973.395  574.402   6.2501  578.344   6.2663 -3.942261 8.850420 
1 1 1    8    3   -2 o  615.526   4.7203 50906.58  780.381 50442.55  1097.05 51381.89  1110.32  612.561   6.6678  618.236   6.6865 -5.675476 9.442988 
1 1 1    8    3   -1 o  398.167   3.0719 21295.36  328.522 21328.37  464.966 21262.45  464.234  398.433   4.3448  397.816   4.3447 0.6161804 6.144454 
1 1 1    8    3    0 o   65.162   1.0703  570.242   18.732  570.242   18.732   0.0000   0.0000   65.162   1.0703  ?   ?  0.000000 1.070305 
1 1 1    8    3    1 o  797.077   6.6871 85408.87  1431.62 85019.62  1842.35 86002.14  2274.50  794.991   8.6281  799.230   10.596 -4.238403 13.66417 
1 1 1    8    3    2 o  354.270   3.0019 16858.54  285.644 16981.49  370.537 16678.45  448.444  355.535   3.8802  352.319   4.7389 3.216156 6.124828 
1 1 1    8    3    3 o  586.345   5.5106 46202.52  867.853 46068.64  1000.32 46609.99  1745.12  585.428   6.3617  588.317   11.044 -2.889343 12.74516 
1 1 1    8    3    4 o  617.957   5.4724 51318.19  908.295 51713.02  1118.11 50552.07  1557.51  620.224   6.7119  612.916   9.4610 7.307983 11.59998 
1 1 1    8    3    5 o  144.886   1.3090  2819.23   50.939  2826.76   72.099  2811.74   71.977  145.076   1.8503  144.690   1.8521 0.3859711 2.617986 
1 1 1    8    3    6 o  473.044   3.6391 30060.47  462.364 30659.25  661.988 29490.14  646.065  477.660   5.1599  468.466   5.1346 9.194214 7.279318 
1 1 1    8    3    7 o  350.823   2.8361 16531.73  267.243 16826.18  400.580 16295.57  358.749  353.894   4.2143  348.282   3.8350 5.612457 5.698029 
1 1 1    8    3    8 o  269.880   2.3094  9782.65  167.400  9893.38  238.279  9674.73  235.227  271.386   3.2689  268.370   3.2633 3.015503 4.619018 
1 1 1    8    3    9 o  377.645   3.1959 19157.40  324.170 19340.38  515.565 19037.76  416.889  379.374   5.0597  376.433   4.1233 2.940765 6.526999 
1 1 1    8    3   10 o  309.137   2.7757 12836.52  230.471 12305.93  335.924 13308.38  316.786  302.644   4.1325  314.742   3.7473 -12.09766 5.578551 
1 1 1    8    3   11 o  261.967   2.3687  9217.68  166.668  9209.78  203.982  9233.57  289.088  261.845   2.9004  262.153   4.1057 -0.3080750 5.026793 
1 1 1    8    3   12 o  301.798   2.8773 12234.91  233.235 12228.65  269.181 12253.76  467.171  301.708   3.3217  301.919   5.7609 -0.2108459 6.649984 
1 1 1    8    3   13 o  110.899   2.4106  1651.98   71.804  1648.00  101.247  1656.00  101.847  110.755   3.4035  111.023   3.4154 -0.2683411 4.821703 
1 1 1    8    3   14 o  306.661   2.6137 12632.69  215.285 12653.41  278.184 12601.76  339.935  306.885   3.3749  306.225   4.1330 0.6609192 5.335876 
1 1 1    8    3   15 o  440.114   3.5433 26028.05  418.857 25891.62  565.206 26194.25  623.828  438.855   4.7951  441.365   5.2623 -2.509979 7.119298 
1 1 1    8    3   16 o  334.290   2.5946 15012.96  232.959 14958.67  328.784 15067.70  330.126  333.625   3.6691  334.838   3.6707 -1.213531 5.190053 
1 1 1    8    3   17 o  282.058   2.2035 10687.41  166.936 10621.57  257.399 10735.21  219.314  281.128   3.4089  282.657   2.8888 -1.529022 4.468264 
1 1 1    8    3   18 o  278.927   2.2779 10452.17  170.652 10005.06  245.905 10867.55  237.019  272.835   3.3556  284.369   3.1032 -11.53381 4.570565 
1 1 1    8    3   19 o  216.497   1.8852  6296.40  109.622  6247.44  172.278  6329.71  142.102  215.606   2.9749  217.047   2.4375 -1.440964 3.846011 
1 1 1    8    3   20 o  103.892   1.2191  1449.71   34.019  1439.07   40.188  1476.61   63.899  103.507   1.4455  104.834   2.2694 -1.326790 2.690642 
1 1 1    8    3   21 o  275.967   2.2555 10232.64  167.184 10322.66  249.265 10159.04  225.399  277.098   3.3492  274.918   3.0525 2.180084 4.531517 
1 1 1    8    3   22 o  290.006   2.6162 11302.26  203.782 11269.80  273.024 11343.09  306.204  289.511   3.5111  290.407   3.9256 -0.8961487 5.266742 
1 1 1    8    3   23 o  125.751   1.2483  2123.98   42.162  2150.16   73.841  2111.31   51.357  126.503   2.1732  125.370   1.5251 1.132851 2.654995 
1 1 1    8    3   24 o  341.568   2.7703 15680.91  254.152 15750.48  378.119 15623.58  343.254  342.157   4.1144  340.828   3.7496 1.329132 5.566728 
1 1 1    8    3   25 o  162.569   1.7431  3550.47   76.111  3373.07  112.663  3699.41  103.229  158.420   2.6478  165.922   2.3164 -7.501846 3.517977 
1 1 1    8    3   26 o  106.715   1.0526  1529.57   30.170  1610.15   48.962  1480.24   38.307  109.478   1.6651  104.975   1.3586 4.503403 2.149056 
1 1 1    8    3   27 o   79.375   0.8851  846.200   18.869  850.127   29.794  843.570   24.383   79.552   1.3944   79.249   1.1455 0.3039780 1.804592 
1 1 1    8    3   28 o   86.225   0.9283  998.576   21.499  990.698   30.221  1006.65   30.590   85.878   1.3102   86.567   1.3156 -0.6884460 1.856753 
1 1 1    8    3   29 o  200.283   1.6076  5389.42   86.478  5340.24  121.572  5439.80  123.038  199.323   2.2708  201.172   2.2771 -1.848923 3.215858 
1 1 1    8    3   30 o   99.379   1.1955  1326.70   31.910  1293.67   47.894  1353.07   42.790   98.116   1.8174  100.351   1.5876 -2.234833 2.413137 
1 1 1    8    3   31 o   65.681   1.0393  579.496   18.335  561.904   25.532  598.229   26.346   64.669   1.4699   66.726   1.4700 -2.057579 2.078854 
1 1 1    8    3   32 o  193.189   1.6286  5015.65   84.508  5057.46  114.935  4966.45  124.682  193.936   2.2065  192.159   2.4158 1.777222 3.271770 
1 1 1    8    3   33 o  135.531   1.2084  2467.93   43.989  2490.31   59.793  2441.52   64.946  136.118   1.6355  134.767   1.7942 1.351410 2.427755 
1 1 1    8    3   34 f  129.511   1.4608  2254.29   50.816  2276.15   60.566  2202.32   93.394  130.117   1.7330  127.887   2.7189 2.229523 3.224269 
1 1 1    8    3   35 o   36.838   0.8443  182.303   8.3540  180.544   11.935  183.993   11.698   36.654   1.2122   37.003   1.1770 -0.3490448 1.689619 
1 1 1    8    3   36 o  126.786   1.0582  2159.92   36.035  2169.86   49.141  2148.35   52.999  127.048   1.4401  126.406   1.5610 0.6422958 2.123817 
1 1 1    8    3   37 o  108.922   0.9921  1594.13   29.024  1604.28   41.197  1584.12   40.897  109.239   1.4041  108.551   1.4027 0.6884918 1.984686 
1 1 1    8    3   38 o  119.567   1.1541  1921.45   37.062  1899.04   52.083  1944.45   52.751  118.821   1.6320  120.233   1.6335 -1.412132 2.309019 
1 1 1    8    3   39 o   54.726   0.7846  402.364   11.533  402.474   15.713  402.236   16.982   54.724   1.0690   54.704   1.1558 0.1958847E-01 1.574373 
1 1 1    8    3   40 o  100.530   0.9907  1358.20   26.749  1402.39   40.367  1323.60   35.717  102.109   1.4719   99.212   1.3404 2.896843 1.990720 
1 1 1    8    3   41 o   93.324   0.9531  1170.51   23.892  1142.13   35.173  1194.83   32.555   92.144   1.4212   94.260   1.2859 -2.116158 1.916554 
1 1 1    8    3   42 o   30.854   0.9263  127.946   7.6760  128.712   12.106  127.431   9.9267   30.927   1.4573   30.783   1.2006 0.1444435 1.888186 
1 1 1    8    3   43 f   34.610   0.7789  160.978   7.2406  166.112   10.892  156.913   9.6919   35.144   1.1539   34.161   1.0563 0.9828453 1.564395 
1 1 1    8    3   44 o   43.956   0.8328  259.705   9.8317  280.511   14.859  243.501   13.113   45.661   1.2115   42.546   1.1475 3.114609 1.668695 
1 1 1    8    3   45 o   93.588   1.1864  1178.56   29.822  1176.12   45.061  1180.47   39.782   93.372   1.7967   93.591   1.5825 -0.2193375 2.394313 
1 1 1    8    3   46 o   58.934   0.8305  466.926   13.146  471.172   17.941  462.002   19.318   59.175   1.1288   58.586   1.2277 0.5890160 1.667764 
1 1 1    8    3   47 o   42.582   0.8256  243.775   9.4428  248.693   13.359  238.864   13.349   42.986   1.1571   42.127   1.1798 0.8598862 1.652479 
1 1 1    8    3   48 o   40.324   1.0111  218.752   10.951  211.950   15.411  225.689   15.564   39.655   1.4469   40.923   1.4160 -1.268299 2.024528 
1 1 1    8    3   49 o   57.538   0.9053  445.293   13.991  434.233   22.202  452.579   18.020   56.749   1.4566   57.978   1.1571 -1.229176 1.860300 
1 1 1    8    3   50 o   20.306   1.2725   55.778   6.9052   64.174   9.9222   47.893   9.6159   21.727   1.7142   18.713   1.9415 3.014149 2.589928 
1 1 1    8    3   51 o   49.812   0.8710  333.811   11.653  332.773   15.968  334.993   17.044   49.696   1.1963   49.850   1.2730 -0.1545296 1.746884 
1 1 1    8    3   52 f   12.049   2.2145   20.340   6.9027   21.413   9.9289   19.337   9.6030   12.249   3.0337   11.651   3.0375 0.5979757 4.293000 
1 1 1    8    3   53 o   43.976   1.0808  260.512   12.766  274.954   16.933  241.495   19.431   45.132   1.3969   42.242   1.7126 2.889664 2.210061 
1 1 1    8    3   54 o   11.865   2.4613   19.904   7.5866   11.892   9.9897   30.821   11.662   9.5905   3.2526   14.707   3.0522 -5.116269 4.460425 
1 1 1    8    3   55 o   10.402   2.5501   15.370   7.0698   15.273   10.231   15.458   9.7812   10.520   3.2726   10.532   3.1860 -0.1211643E-01 4.567331 
1 1 1    8    3   56 o   57.246   0.9243  441.208   14.213  445.552   19.322  436.089   20.979   57.467   1.2518   56.827   1.3745 0.6403046 1.859106 
1 1 1    8    3   57 o   14.613   1.9837   29.557   7.5848   29.772   10.557   29.328   10.905   14.470   2.8175   14.333   2.9316 0.1375532 4.066053 
1 1 1    8    3   58 o   62.718   0.9354  530.013   15.758  527.453   21.083  533.252   23.719   62.483   1.2563   62.778   1.4067 -0.2949181 1.886022 
1 1 1    8    3   59 o   47.887   0.9643  309.272   12.402  301.267   18.522  315.778   16.699   47.134   1.4631   48.309   1.2870 -1.174755 1.948547 
1 1 1    8    3   60 o   9.4979   2.9854   12.672   8.4889   16.704   11.810   8.3618   12.210   10.873   3.5325   9.0659   3.5134 1.807074 4.982214 
1 1 1    8    3   61 o   9.0099   3.2618   10.164   10.153   8.1323   13.883   12.500   14.887   9.3120   3.7045   10.286   3.9063 -0.9738026 5.383534 
1 1 1    8    3   62 o   11.642   2.8789   20.042   8.9519   17.530   12.503   22.686   12.823   10.988   3.6379   12.250   3.6349 -1.261882 5.142648 
1 1 1    8    4  -62 o   24.631   1.6486   83.575   10.844   65.872   15.995   98.630   14.751   21.312   2.8670   26.574   2.0833 -5.262007 3.543970 
1 1 1    8    4  -61 o   22.790   1.4399   71.001   8.7685   61.846   12.326   80.380   12.476   21.008   2.2181   24.086   1.9451 -3.078030 2.950176 
1 1 1    8    4  -60 o   41.801   1.0834  236.247   12.164  239.582   17.876  233.371   16.599   41.934   1.5872   41.421   1.4920 0.5126038 2.178341 
1 1 1    8    4  -59 o   21.897   1.4527   65.332   8.4956   74.631   12.161   56.469   11.873   23.278   1.9634   20.149   2.2314 3.129423 2.972252 
1 1 1    8    4  -58 o   16.250   1.7696   36.321   7.5986   48.447   10.768   24.294   10.724   18.692   2.1861   12.947   3.1205 5.745334 3.810060 
1 1 1    8    4  -57 o   4.8550   2.2851  -8.1205   7.6683 -14.4696   10.415  -0.6040   11.332   5.2990   2.5413   7.3227   3.1600 -2.023719 4.055143 
1 1 1    8    4  -56 o   27.859   1.1850  104.680   8.8669   96.678   12.252  113.483   12.849   26.656   1.7204   28.900   1.6623 -2.244320 2.392295 
1 1 1    8    4  -55 o   7.6066   2.6766   7.0203   6.7866   17.696   9.8783  -2.5233   9.3397   11.168   3.1543   6.3487   2.8012 4.819566 4.218558 
1 1 1    8    4  -54 o   12.962   2.1815   23.460   7.3251   17.853   11.262   27.570   9.6434   11.293   3.4193   13.970   2.6673 -2.677448 4.336568 
1 1 1    8    4  -53 o   53.842   0.9027  390.173   13.054  394.372   17.417  384.790   19.719   54.085   1.1990   53.391   1.3750 0.6937180 1.824352 
1 1 1    8    4  -52 o   64.169   0.8485  554.019   14.623  564.636   20.813  543.668   20.550   64.721   1.1973   63.506   1.2048 1.214539 1.698538 
1 1 1    8    4  -51 o   36.067   0.9322  175.067   9.0308  173.580   13.017  176.447   12.539   35.872   1.3510   36.174   1.2906 -0.3020058 1.868387 
1 1 1    8    4  -50 f   52.222   0.8274  366.794   11.606  372.497   16.383  361.050   16.442   52.588   1.1599   51.771   1.1825 0.8173218 1.656372 
1 1 1    8    4  -49 o   28.496   1.0006  109.269   7.6581  102.339   10.601  116.831   11.075   27.511   1.4397   29.438   1.4007 -1.926306 2.008612 
1 1 1    8    4  -48 o   9.1807   2.5335   11.801   6.4513   13.736   10.160   10.493   8.3507   10.146   3.2746   8.9807   2.9730 1.165678 4.422904 
1 1 1    8    4  -47 o   17.134   1.3800   39.808   6.2970   43.520   8.9598   36.185   8.8518   17.849   1.8981   16.226   2.0788 1.622595 2.814996 
1 1 1    8    4  -46 o   42.618   0.8194  244.175   9.3795  240.474   13.169  247.987   13.363   42.271   1.1599   42.926   1.1590 -0.6553078 1.639680 
1 1 1    8    4  -45 o   62.897   0.9890  532.037   16.708  540.997   24.001  523.614   23.272   63.377   1.4100   62.353   1.3896 1.023891 1.979623 
1 1 1    8    4  -44 o   32.501   0.8208  141.983   7.1652  150.019   10.732  135.519   9.6246   33.391   1.1966   31.739   1.1290 1.651424 1.645148 
1 1 1    8    4  -43 o   46.965   0.7838  296.439   9.8878  298.975   13.894  293.835   14.075   47.150   1.0971   46.741   1.1211 0.4085617 1.568624 
1 1 1    8    4  -42 o   78.024   1.0277  818.444   21.537  771.648   29.343  873.092   31.709   75.721   1.4428   80.542   1.4658 -4.820915 2.056731 
1 1 1    8    4  -41 o   16.238   1.7056   35.888   7.3274   37.176   11.113   34.897   9.7463   16.389   2.6121   15.912   2.3513 0.4771442 3.514469 
1 1 1    8    4  -40 o   36.919   0.8500  183.148   8.4286  184.817   11.196  180.964   12.804   37.079   1.1242   36.684   1.2995 0.3946152 1.718344 
1 1 1    8    4  -39 o   98.163   0.9305  1294.83   24.532  1284.36   34.543  1305.49   34.846   97.736   1.3159   98.536   1.3166 -0.8007813 1.861482 
1 1 1    8    4  -38 o   38.473   0.8176  198.862   8.4483  195.208   11.995  202.459   11.901   38.109   1.1719   38.812   1.1416 -0.7021866 1.636036 
1 1 1    8    4  -37 o   25.753   0.9560   89.112   6.6124   81.517   10.238   94.547   8.6612   24.571   1.5594   26.522   1.2158 -1.951353 1.977361 
1 1 1    8    4  -36 f   45.121   0.7456  273.495   9.0357  272.841   12.880  274.129   12.679   45.061   1.0642   45.167   1.0452 -0.1066818 1.491602 
1 1 1    8    4  -35 o   67.890   0.7858  619.145   14.328  593.612   21.758  638.697   19.040   66.462   1.2188   68.946   1.0281 -2.484482 1.594566 
1 1 1    8    4  -34 o  126.123   1.1970  2137.45   40.548  2155.97   52.757  2110.72   63.383  126.643   1.5510  125.279   1.8837 1.364418 2.440015 
1 1 1    8    4  -33 o  143.931   1.3260  2783.76   51.260  2736.85   65.644  2857.05   82.055  142.684   1.7129  145.748   2.0961 -3.063477 2.706959 
1 1 1    8    4  -32 o  214.824   1.7155  6202.93   98.986  6205.38  140.001  6200.48  139.975  214.775   2.4269  214.690   2.4274 0.8476257E-01 3.432544 
1 1 1    8    4  -31 o   97.717   1.0604  1282.69   27.830  1338.05   42.772  1242.05   36.650   99.786   1.5959   96.146   1.4192 3.639847 2.135657 
1 1 1    8    4  -30 o  159.486   1.5216  3417.62   65.180  3566.56  100.115  3308.04   85.873  162.873   2.2885  156.877   2.0380 5.995743 3.064437 
1 1 1    8    4  -29 o  178.333   1.4498  4272.64   69.445  4308.32   98.640  4237.58   97.786  179.041   2.0512  177.565   2.0503 1.475815 2.900227 
1 1 1    8    4  -28 o  122.980   1.3005  2031.65   42.957  2057.96   54.783  1989.66   69.218  123.763   1.6480  121.674   2.1180 2.088837 2.683658 
1 1 1    8    4  -27 o  157.664   1.4250  3339.32   60.346  3276.77   77.032  3438.70   97.092  156.165   1.8365  159.957   2.2599 -3.791870 2.912037 
1 1 1    8    4  -26 o  252.239   1.9858  8548.95  134.537  8571.42  190.502  8526.60  190.028  252.504   2.8089  251.843   2.8093 0.6611176 3.972661 
1 1 1    8    4  -25 o  192.078   1.7845  4956.63   92.064  4814.71  156.520  5031.71  113.839  189.236   3.0794  193.509   2.1903 -4.272385 3.778928 
1 1 1    8    4  -24 o  269.940   2.5928  9793.22  187.990  9918.43  309.326  9719.89  236.723  271.488   4.2420  268.866   3.2780 2.621185 5.360994 
1 1 1    8    4  -23 o   51.586   0.6829  357.393   9.4619  351.641   12.177  366.158   15.031   51.168   0.8860   52.213   1.0718 -1.044556 1.390648 
1 1 1    8    4  -22 o  318.477   2.4773 13629.83  211.913 13819.74  279.841 13374.53  324.467  320.616   3.2496  315.344   3.8308 5.272614 5.023492 
1 1 1    8    4  -21 o  188.140   1.6564  4754.92   83.700  4654.42  116.653  4861.56  120.165  186.117   2.3336  190.212   2.3521 -4.095398 3.313259 
1 1 1    8    4  -20 o  156.923   1.2879  3307.54   54.285  3364.84   77.413  3252.11   76.143  158.264   1.8211  155.590   1.8220 2.673706 2.576102 
1 1 1    8    4  -19 o  271.872   2.3301  9931.28  170.149  9971.20  220.254  9872.20  267.951  272.373   3.0107  270.962   3.6818 1.410706 4.756014 
1 1 1    8    4  -18 o  137.201   1.1499  2528.28   42.376  2525.74   59.872  2530.83   59.985  137.124   1.6256  137.263   1.6270 -0.1380920 2.299973 
1 1 1    8    4  -17 o  213.210   1.6929  6106.16   96.947  6157.07  137.806  6056.27  136.414  214.074   2.3967  212.314   2.3921 1.759415 3.386214 
1 1 1    8    4  -16 o  232.113   1.8315  7236.96  114.180  7301.55  162.395  7173.81  160.569  233.122   2.5936  231.074   2.5871 2.048065 3.663319 
1 1 1    8    4  -15 o  378.686   2.9280 19267.56  297.810 19304.51  421.816 19230.85  420.521  378.958   4.1442  378.235   4.1394 0.7232361 5.857364 
1 1 1    8    4  -14 o   78.586   0.9052  829.418   19.106  803.454   28.477  850.678   25.767   77.345   1.3708   79.586   1.2054 -2.241348 1.825395 
1 1 1    8    4  -13 o  154.286   1.3217  3197.04   54.773  3235.88   74.778  3152.08   80.454  155.216   1.7937  153.191   1.9553 2.024872 2.653428 
1 1 1    8    4  -12 o  404.217   3.1194 21950.44  338.672 21733.10  475.755 22173.73  482.220  402.141   4.4047  406.196   4.4199 -4.055206 6.239949 
1 1 1    8    4  -11 o  322.388   2.5026 13960.71  216.700 13987.51  306.745 13934.01  306.177  322.665   3.5394  322.048   3.5396 0.6176147 5.005659 
1 1 1    8    4  -10 o  194.796   1.6243  5096.32   84.983  5108.17  115.277  5082.20  125.777  195.016   2.2008  194.518   2.4074 0.4989929 3.261768 
1 1 1    8    4   -9 o  324.076   2.5151 14106.83  218.924 13968.23  307.591 14249.11  311.659  322.453   3.5515  325.678   3.5629 -3.225525 5.030647 
1 1 1    8    4   -8 o  421.103   3.3908 23821.42  383.514 23597.92  564.904 24012.51  522.336  419.050   5.0190  422.737   4.6003 -3.686951 6.808324 
1 1 1    8    4   -7 o  561.414   5.2795 42357.03  796.095 42651.19  1306.29 42183.22  1004.11  563.036   8.6380  560.146   6.6740 2.890503 10.91590 
1 1 1    8    4   -6 o   83.448   1.1229  935.201   25.167  978.860   36.268  894.655   34.951   85.372   1.5817   81.618   1.5944 3.754578 2.245823 
1 1 1    8    4   -5 o  161.021   1.5121  3482.19   65.399  3356.70   85.879  3655.43  100.903  158.090   2.0225  164.973   2.2772 -6.882614 3.045677 
1 1 1    8    4   -4 o  498.551   4.1981 33393.28  562.156 33331.14  725.006 33486.98  890.202  498.019   5.4201  499.096   6.6407 -1.077454 8.571793 
1 1 1    8    4   -3 o  712.483   5.9822 68229.17  1144.80 67461.73  1466.15 69427.96  1832.42  708.272   7.7070  718.264   9.4983 -9.992371 12.23178 
1 1 1    8    4   -2 o  488.980   4.1183 32122.82  540.882 32309.34  700.911 31848.23  850.436  490.334   5.3221  486.744   6.5050 3.589752 8.404740 
1 1 1    8    4   -1 o  426.346   3.5991 24418.34  412.138 24261.57  529.997 24658.17  655.509  424.934   4.6437  428.339   5.6977 -3.405548 7.350322 
1 1 1    8    4    0 o  615.797   4.9328 50954.07  815.879 51158.00  1107.38 50711.94  1206.66  616.884   6.6834  614.126   7.3154 2.757507 9.908726 
1 1 1    8    4    1 o  315.846   2.5617 13399.22  217.316 13246.17  291.893 13589.54  325.511  314.018   3.4608  318.053   3.8104 -4.034698 5.147488 
1 1 1    8    4    2 o  365.934   3.4658 17988.22  340.641 17668.72  388.703 19045.86  707.210  362.654   3.9906  376.379   6.9957 -13.72516 8.053845 
1 1 1    8    4    3 o  141.607   1.5356  2693.10   58.404  2688.55   68.996  2704.62  109.696  141.485   1.8156  141.899   2.8782 -0.4140625 3.402989 
1 1 1    8    4    4 o  410.788   3.6592 22669.04  403.736 22500.02  492.037 23017.37  706.339  409.222   4.4766  413.802   6.3552 -4.580048 7.773559 
1 1 1    8    4    5 o  641.063   5.3877 55228.16  927.684 54499.78  1185.55 56378.49  1489.88  636.679   6.9327  647.367   8.5686 -10.68781 11.02197 
1 1 1    8    4    6 o  408.444   3.4507 22410.42  378.552 22153.55  484.902 22811.27  605.749  406.058   4.4460  411.991   5.4741 -5.933380 7.052173 
1 1 1    8    4    7 o  223.907   1.9369  6733.47  116.486  6674.85  149.490  6824.07  185.857  222.924   2.4967  225.393   3.0700 -2.469193 3.957104 
1 1 1    8    4    8 o  297.795   2.8382 11912.06  227.014 11506.70  313.780 12357.27  328.843  292.655   3.9919  303.277   4.0370 -10.62225 5.677353 
1 1 1    8    4    9 o  270.869   2.5929  9855.07  188.642  9747.45  264.479  9966.52  269.142  269.362   3.6556  272.372   3.6790 -3.009430 5.186377 
1 1 1    8    4   10 o  513.805   4.5611 35474.75  629.448 35474.96  844.602 35474.48  944.019  513.683   6.1216  513.610   6.8431 0.7275391E-01 9.181639 
1 1 1    8    4   11 o  335.161   2.8482 15089.72  256.400 15082.80  362.463 15096.65  362.746  335.041   4.0279  335.194   4.0292 -0.1537476 5.697167 
1 1 1    8    4   12 o  345.390   2.7956 16025.21  259.348 16076.43  351.733 15964.19  383.923  345.901   3.7859  344.674   4.1471 1.227356 5.615287 
1 1 1    8    4   13 o  355.022   2.8712 16932.43  273.787 17098.61  372.970 16738.25  403.177  356.708   3.8929  352.908   4.2535 3.800232 5.765958 
1 1 1    8    4   14 o  296.855   2.5337 11838.15  202.018 11831.64  260.616 11847.95  319.766  296.743   3.2699  296.909   4.0097 -0.1662292 5.173972 
1 1 1    8    4   15 o  395.703   3.3497 21041.19  356.012 20835.03  456.501 21361.22  568.763  393.678   4.3173  398.512   5.3137 -4.833984 6.846481 
1 1 1    8    4   16 o  318.771   2.5881 13652.35  221.592 13786.49  302.044 13496.00  326.093  320.275   3.5112  316.859   3.8316 3.416168 5.197110 
1 1 1    8    4   17 o  506.740   3.8989 34524.07  530.669 34848.56  754.919 34207.11  746.117  508.828   5.5238  504.126   5.5103 4.701935 7.802293 
1 1 1    8    4   18 o  199.580   1.5949  5350.44   85.497  5305.63  120.256  5396.25  121.577  198.722   2.2530  200.411   2.2586 -1.689606 3.190199 
1 1 1    8    4   19 o   79.072   0.9001  839.729   19.116  836.664   25.640  843.565   28.683   78.925   1.2095   79.249   1.3475 -0.3235474 1.810733 
1 1 1    8    4   20 o  144.584   1.2041  2807.77   46.762  2868.81   66.913  2749.51   65.375  146.137   1.7047  143.066   1.7013 3.070847 2.408450 
1 1 1    8    4   21 o  485.242   3.7382 31664.80  487.211 32271.64  763.604 31248.13  632.740  489.393   5.8092  481.803   4.8895 7.589966 7.593040 
1 1 1    8    4   22 o  297.914   2.4272 11926.25  194.215 11934.22  321.996 11921.70  243.492  297.858   4.0249  297.806   3.0441 0.5142212E-01 5.046387 
1 1 1    8    4   23 o   39.238   1.1039  206.792   11.634  205.562   15.362  208.447   17.813   39.119   1.4621   39.391   1.6836 -0.2720451 2.229849 
1 1 1    8    4   24 o  359.035   3.6465 17337.49  351.643 17792.39  669.716 17164.34  413.181  363.023   6.8685  357.132   4.3074 5.890930 8.107464 
1 1 1    8    4   25 o  126.687   1.6779  2156.14   57.093  2041.78   87.569  2240.69   75.296  123.251   2.6453  129.133   2.1709 -5.882057 3.422030 
1 1 1    8    4   26 o  160.962   1.5305  3480.53   66.168  3437.48   88.042  3536.40  100.304  159.944   2.0494  162.217   2.3021 -2.273071 3.082194 
1 1 1    8    4   27 o   42.496   0.9141  242.552   10.434  234.946   14.594  250.505   14.923   41.821   1.2992   43.184   1.2866 -1.362648 1.828497 
1 1 1    8    4   28 o  211.197   1.7622  5993.21   99.963  6016.03  148.705  5974.39  135.020  211.533   2.6173  210.820   2.3845 0.7130280 3.540642 
1 1 1    8    4   29 o  155.885   1.2924  3264.42   54.110  3232.90   76.070  3296.69   76.984  155.106   1.8260  156.629   1.8299 -1.522537 2.585112 
1 1 1    8    4   30 o  143.865   1.2107  2780.42   46.781  2808.47   66.476  2752.91   65.846  144.566   1.7120  143.129   1.7128 1.437164 2.421707 
1 1 1    8    4   31 o  203.412   1.8862  5561.61  103.050  5614.49  138.972  5497.02  153.592  204.305   2.5325  202.116   2.8293 2.188538 3.797185 
1 1 1    8    4   32 o   89.233   1.2477  1069.81   29.903  1088.31   42.876  1052.29   41.727   89.980   1.7741   88.479   1.7558 1.500946 2.496043 
1 1 1    8    4   33 o  120.228   1.1587  1942.09   37.418  1928.07   52.624  1956.43   53.216  119.766   1.6359  120.643   1.6423 -0.8773117 2.318041 
1 1 1    8    4   34 o  110.881   0.9583  1651.72   28.541  1671.98   39.073  1628.54   41.790  111.542   1.3042  110.077   1.4135 1.465149 1.923233 
1 1 1    8    4   35 o   69.416   0.8164  647.312   15.222  649.315   18.933  643.651   25.598   69.518   1.0140   69.200   1.3772 0.3176575 1.710244 
1 1 1    8    4   36 f   88.779   1.0229  1059.04   24.392  1065.01   36.783  1054.36   32.589   88.998   1.5388   88.563   1.3700 0.4348526 2.060278 
1 1 1    8    4   37 o  138.877   1.2924  2592.60   48.207  2628.55   68.717  2557.77   67.645  139.769   1.8305  137.875   1.8267 1.893906 2.585978 
1 1 1    8    4   38 o   53.731   0.7887  387.864   11.383  376.049   15.278  402.604   17.065   52.897   1.0753   54.730   1.1609 -1.832600 1.582390 
1 1 1    8    4   39 o   19.313   1.1173   50.302   5.7712   51.875   8.1099   48.689   8.2145   19.576   1.5552   18.954   1.6294 0.6221676 2.252496 
1 1 1    8    4   40 o  114.605   1.1863  1765.79   36.517  1722.13   54.028  1802.51   49.548  113.102   1.7785  115.739   1.5939 -2.637070 2.388202 
1 1 1    8    4   41 o   35.375   0.8722  168.172   8.2874  160.974   12.605  173.653   10.999   34.593   1.3566   35.939   1.1395 -1.345085 1.771639 
1 1 1    8    4   42 o   72.033   0.8196  697.305   15.857  698.561   22.405  696.043   22.446   72.073   1.1574   71.943   1.1616 0.1303635 1.639778 
1 1 1    8    4   43 o   87.730   0.8896  1034.59   20.962  1016.04   29.462  1053.60   29.831   86.899   1.2623   88.492   1.2551 -1.592575 1.780051 
1 1 1    8    4   44 o   23.659   1.1551   75.302   7.3403   85.971   10.686   65.773   10.100   25.210   1.5863   22.021   1.7213 3.188997 2.340816 
1 1 1    8    4   45 o   14.633   1.6769   29.247   6.4715   34.345   9.0661   23.951   9.2405   15.788   2.1976   13.046   2.7250 2.741578 3.500728 
1 1 1    8    4   46 o   42.051   0.8461  237.744   9.5558  227.348   13.158  249.345   13.900   41.099   1.1920   43.040   1.2024 -1.941494 1.693122 
1 1 1    8    4   47 o   16.538   1.4530   37.144   6.3890   35.521   9.0504   38.756   9.0203   16.061   2.1521   16.809   2.0398 -0.7472038 2.965150 
1 1 1    8    4   48 o   56.050   0.9064  422.533   13.646  428.544   19.054  416.202   19.552   56.409   1.2576   55.584   1.3096 0.8249321 1.815711 
1 1 1    8    4   49 o   77.552   0.9164  809.043   19.089  826.684   25.962  788.280   28.165   78.340   1.2339   76.472   1.3713 1.868378 1.844663 
1 1 1    8    4   50 f   5.8485   2.4380   1.0012   6.3606  -2.4751   9.7939   3.5369   8.3646   6.5417   2.8782   7.1671   2.8675 -0.6254177 4.062834 
1 1 1    8    4   51 o   26.117   1.0724   91.858   7.5225   96.520   10.836   87.521   10.451   26.692   1.5178   25.410   1.5386 1.282026 2.161226 
1 1 1    8    4   52 o   29.836   1.1057  119.927   8.8606  120.661   11.338  118.776   14.201   29.897   1.4120   29.562   1.7971 0.3348961 2.285420 
1 1 1    8    4   53 o   41.088   1.0702  227.428   11.811  217.893   17.520  235.370   15.990   40.137   1.6252   41.749   1.4260 -1.612804 2.162108 
1 1 1    8    4   54 o   15.864   1.6933   34.443   7.1034   41.236   10.295   28.269   9.8142   17.257   2.2765   14.147   2.6809 3.110003 3.517080 
1 1 1    8    4   55 o   36.288   1.1573  177.516   11.280  171.903   16.634  182.296   15.349   35.625   1.7384   36.717   1.5564 -1.092072 2.333284 
1 1 1    8    4   56 o   13.089   2.1411   23.911   7.2669   13.522   10.125   34.946   10.436   10.021   3.2716   15.787   2.5478 -5.765957 4.146659 
1 1 1    8    4   57 o   35.609   0.9971  170.872   9.5369  170.829   13.352  170.916   13.627   35.546   1.3985   35.550   1.4272 -0.4131317E-02 1.998145 
1 1 1    8    4   58 o   20.974   1.4604   59.873   8.1756   63.533   11.442   56.055   11.686   21.486   2.0059   20.121   2.1981 1.365334 2.975783 
1 1 1    8    4   59 o   24.723   1.5616   83.381   10.316   78.754   13.360   90.214   16.236   23.873   2.1051   25.459   2.4027 -1.586040 3.194431 
1 1 1    8    4   60 o   14.958   2.9217   32.469   11.317   41.188   17.374   26.043   14.916   16.480   3.9719   13.195   3.9215 3.285092 5.581565 
1 1 1    8    4   61 o   25.558   1.4689   89.288   10.041   80.761   13.867   98.687   14.559   24.054   2.1698   26.660   2.0489 -2.605869 2.984276 
1 1 1    8    4   62 o   7.6917   3.1300   4.4416   10.155   0.5576   14.054   8.6837   14.688   8.0744   3.5017   9.4634   3.7950 -1.388998 5.163742 
1 1 1    8    5  -62 o   12.521   3.5441   24.025   12.457   9.7890   17.135   39.980   18.141   10.029   4.0717   15.823   4.1990 -5.794400 5.848938 
1 1 1    8    5  -61 o   24.220   1.5228   80.403   9.8562   75.053   13.624   86.279   14.277   23.136   2.2196   24.846   2.1609 -1.709269 3.097730 
1 1 1    8    5  -60 o   7.3152   2.8224   5.3012   7.8524   0.5970   11.036   10.126   11.176   7.3209   3.1383   9.1923   3.4066 -1.871385 4.631834 
1 1 1    8    5  -59 o   44.023   1.1363  262.025   13.436  241.195   18.564  284.937   19.470   42.083   1.6424   45.762   1.5840 -3.679348 2.281820 
1 1 1    8    5  -58 o   40.485   1.0187  221.117   11.077  225.620   14.947  215.633   16.498   40.821   1.3633   39.863   1.5409 0.9586220 2.057365 
1 1 1    8    5  -57 o   43.316   1.0536  253.009   12.257  242.078   16.102  268.072   18.902   42.300   1.4172   44.472   1.5825 -2.172680 2.124329 
1 1 1    8    5  -56 o   38.702   0.9539  201.741   9.9155  205.299   14.061  198.223   13.984   38.985   1.3429   38.305   1.3592 0.6805000 1.910720 
1 1 1    8    5  -55 o   43.887   0.9524  259.352   11.227  266.152   16.123  252.951   15.642   44.398   1.3520   43.285   1.3454 1.113903 1.907377 
1 1 1    8    5  -54 o   35.697   1.1254  171.737   10.790  171.835   15.034  171.633   15.496   35.647   1.5702   35.618   1.6197 0.2882385E-01 2.255867 
1 1 1    8    5  -53 o   16.338   1.7168   36.528   7.4210   26.619   11.200   44.283   9.9078   13.634   3.1253   17.932   2.0967 -4.297802 3.763481 
1 1 1    8    5  -52 f   27.374   1.0843  100.950   7.9724   99.935   11.176  102.002   11.376   27.150   1.5390   27.428   1.5505 -0.2782669 2.184616 
1 1 1    8    5  -51 o   32.817   0.9954  144.991   8.7740  148.103   12.375  141.846   12.442   33.127   1.3908   32.415   1.4291 0.7117729 1.994116 
1 1 1    8    5  -50 o   44.447   0.8394  265.744   10.021  259.974   14.218  271.441   14.128   43.924   1.2051   44.886   1.1718 -0.9624023 1.680931 
1 1 1    8    5  -49 o   48.303   0.8266  313.780   10.724  323.992   15.276  303.856   15.059   49.048   1.1595   47.497   1.1804 1.551014 1.654669 
1 1 1    8    5  -48 o   43.730   0.9265  257.236   10.883  254.883   15.203  259.709   15.585   43.495   1.3013   43.903   1.3217 -0.4076271 1.854824 
1 1 1    8    5  -47 o   44.968   0.8515  271.907   10.285  279.692   14.717  264.477   14.378   45.578   1.2022   44.321   1.2078 1.257614 1.704127 
1 1 1    8    5  -46 f   78.151   0.8517  821.206   17.877  796.411   27.531  839.282   23.507   76.896   1.3330   78.974   1.1082 -2.078026 1.733469 
1 1 1    8    5  -45 o   29.371   0.9718  116.023   7.6663  118.757   10.428  112.808   11.309   29.698   1.3073   28.899   1.4617 0.7994518 1.961069 
1 1 1    8    5  -44 o   42.893   0.9268  247.377   10.677  253.396   14.651  240.557   15.594   43.389   1.2572   42.267   1.3736 1.122681 1.862040 
1 1 1    8    5  -43 o   46.410   0.8240  289.510   10.271  292.982   15.353  286.697   13.820   46.663   1.2249   46.168   1.1145 0.4956322 1.656044 
1 1 1    8    5  -42 o   77.093   0.8344  798.791   17.277  812.509   24.537  785.302   24.331   77.723   1.1754   76.409   1.1855 1.313385 1.669431 
1 1 1    8    5  -41 o   34.307   1.0775  158.242   9.9287  153.194   12.229  168.006   17.008   33.745   1.3492   35.269   1.8014 -1.523994 2.250674 
1 1 1    8    5  -40 o   71.913   0.8520  694.935   16.457  677.905   21.818  717.415   25.067   71.009   1.1440   73.039   1.2778 -2.030106 1.715034 
1 1 1    8    5  -39 o   41.505   0.7646  231.443   8.5238  231.823   12.056  231.062   12.053   41.530   1.0808   41.462   1.0823 0.6826401E-01 1.529560 
1 1 1    8    5  -38 o  173.546   1.4241  4050.20   66.380  4105.24   94.577  3996.76   93.189  174.602   2.0167  172.281   2.0139 2.321655 2.850058 
1 1 1    8    5  -37 o  105.810   1.1081  1504.65   31.490  1533.68   47.457  1481.81   42.093  106.776   1.6547  104.971   1.4929 1.804955 2.228689 
1 1 1    8    5  -36 o   39.535   0.8201  209.981   8.7086  216.607   13.613  205.391   11.330   40.143   1.2625   39.095   1.0790 1.048477 1.660816 
1 1 1    8    5  -35 o   52.669   0.7819  372.655   11.062  387.239   16.769  361.420   14.718   53.680   1.1630   51.863   1.0566 1.817352 1.571328 
1 1 1    8    5  -34 o   38.849   0.7581  202.737   7.9102  193.699   12.028  209.626   10.500   37.966   1.1795   39.500   0.9897 -1.533672 1.539747 
1 1 1    8    5  -33 o  166.312   1.4961  3717.76   66.829  3774.62   87.169  3636.68  104.087  167.531   1.9372  164.385   2.3574 3.146118 3.051274 
1 1 1    8    5  -32 o   78.726   1.1761  832.720   24.870  824.172   34.893  841.546   35.455   78.304   1.6591   79.124   1.6683 -0.8206329 2.352829 
1 1 1    8    5  -31 o   86.523   1.2034  1005.78   27.966  1011.84   49.337  1002.91   33.947   86.747   2.1175   86.391   1.4630 0.3554459 2.573769 
1 1 1    8    5  -30 o   66.488   0.8842  593.779   15.790  585.261   23.691  600.587   21.181   66.001   1.3364   66.863   1.1794 -0.8617630 1.782424 
1 1 1    8    5  -29 o  173.528   1.5500  4045.92   72.243  3940.31  100.348  4159.55  104.089  171.206   2.1822  175.903   2.2031 -4.696762 3.100946 
1 1 1    8    5  -28 o  291.991   2.2827 11460.85  179.022 11467.56  253.222 11454.14  253.128  291.937   3.2294  291.766   3.2301 0.1709900 4.567530 
1 1 1    8    5  -27 o  286.126   2.4521 11005.30  188.447 11025.53  243.562 10975.14  297.453  286.296   3.1674  285.524   3.8787 0.7712097 5.007649 
1 1 1    8    5  -26 o  152.849   1.3226  3138.31   54.297  3213.83   74.372  3052.11   79.455  154.661   1.7903  150.712   1.9628 3.948792 2.656688 
1 1 1    8    5  -25 o  346.781   2.8119 16166.79  261.906 16325.41  356.800 15981.46  385.663  348.326   3.8137  344.573   4.1671 3.752716 5.648814 
1 1 1    8    5  -24 o  240.340   2.3243  7762.46  150.042  7665.88  210.255  7862.68  214.182  238.763   3.2786  241.807   3.2978 -3.043549 4.650223 
1 1 1    8    5  -23 o  138.305   1.6451  2569.64   61.113  2605.66   87.125  2534.74   85.745  139.250   2.3295  137.342   2.3244 1.907745 3.290792 
1 1 1    8    5  -22 o   98.249   1.2646  1296.56   33.370  1351.76   48.242  1245.92   46.209  100.310   1.7906   96.303   1.7865 4.006683 2.529355 
1 1 1    8    5  -21 o  313.781   2.5501 13231.41  214.923 13146.95  317.361 13302.96  292.102  312.653   3.7792  314.540   3.4575 -1.887207 5.122191 
1 1 1    8    5  -20 o  249.081   2.1461  8335.72  143.576  8368.04  227.324  8314.27  185.187  249.477   3.3925  248.722   2.7721 0.7553864 4.381049 
1 1 1    8    5  -19 o  380.659   3.0756 19477.46  314.452 19253.53  462.885 19669.36  428.508  378.257   4.5561  382.382   4.1722 -4.125061 6.177848 
1 1 1    8    5  -18 o   72.176   0.8572  699.638   16.617  685.762   22.222  717.237   25.026   71.454   1.1579   73.075   1.2751 -1.620430 1.722352 
1 1 1    8    5  -17 f  366.009   2.8337 18002.99  278.568 18009.75  394.067 17996.23  393.841  365.952   4.0092  365.815   4.0084 0.1372681 5.669255 
1 1 1    8    5  -16 o  391.792   3.0275 20629.04  318.590 20518.82  448.943 20740.87  452.185  390.606   4.2792  392.713   4.2870 -2.106842 6.057167 
1 1 1    8    5  -15 o  424.029   3.2709 24164.05  372.524 24315.79  529.029 24014.81  524.655  425.202   4.6323  422.564   4.6226 2.638550 6.544197 
1 1 1    8    5  -14 o  212.662   1.6881  6074.58   96.421  6010.17  135.419  6140.81  137.321  211.514   2.3837  213.800   2.3913 -2.286224 3.376437 
1 1 1    8    5  -13 o   44.140   0.7472  261.656   8.8581  272.122   13.481  253.704   11.751   45.013   1.1151   43.463   1.0066 1.549728 1.502197 
1 1 1    8    5  -12 o  352.247   2.7280 16668.76  258.093 16701.72  365.325 16635.91  364.674  352.535   3.8582  351.840   3.8589 0.6953430 5.456841 
1 1 1    8    5  -11 o  137.219   1.1466  2528.79   42.259  2460.63   58.789  2601.67   60.788  135.353   1.6171  139.178   1.6261 -3.825012 2.293307 
1 1 1    8    5  -10 o  152.732   1.2542  3132.91   51.451  3082.65   72.065  3185.16   73.481  151.498   1.7710  153.996   1.7765 -2.498215 2.508509 
1 1 1    8    5   -9 o  575.536   4.4193 44512.46  683.151 43425.30  949.950 45676.94  983.149  568.287   6.2236  582.828   6.2804 -14.54028 8.841743 
1 1 1    8    5   -8 o  293.495   2.2859 11569.90  180.202 11340.73  251.450 11811.88  258.379  290.551   3.2221  296.524   3.2442 -5.973328 4.572363 
1 1 1    8    5   -7 o  571.227   4.3875 43844.41  673.155 44346.64  959.429 43357.48  944.711  574.332   6.2195  567.893   6.1936 6.438904 8.777402 
1 1 1    8    5   -6 o  424.513   3.7785 24210.90  430.832 25076.01  660.885 23571.54  568.152  431.926   5.6967  418.807   5.0508 13.11838 7.613344 
1 1 1    8    5   -5 o  536.324   4.7568 38652.12  685.232 38627.49  1186.42 38664.45  839.390  535.837   8.2435  536.331   5.8269 -0.4937134 10.09497 
1 1 1    8    5   -4 o  104.314   1.4306  1461.41   40.083  1404.67   61.943  1502.28   52.574  102.265   2.2551  105.761   1.8508 -3.495514 2.917350 
1 1 1    8    5   -3 o  421.930   3.2519 23914.26  368.530 24097.71  523.687 23734.29  518.708  423.489   4.6040  420.284   4.5950 3.204987 6.504717 
1 1 1    8    5   -2 o  223.825   2.0411  6728.60  122.709  6814.54  185.352  6661.55  163.726  225.236   3.0639  222.698   2.7372 2.537476 4.108474 
1 1 1    8    5   -1 o  754.630   5.7811 76539.72  1171.76 75899.77  1647.62 77194.65  1666.79  751.162   8.1664  757.539   8.1919 -6.376587 11.56706 
1 1 1    8    5    0 o  558.694   4.6985 41941.55  705.057 42535.42  918.498 41089.64  1100.09  562.532   6.0791  552.768   7.4096 9.764343 9.584230 
1 1 1    8    5    1 o  602.827   5.0664 48833.85  820.315 48163.38  1049.40 49887.16  1315.32  598.550   6.5276  609.002   8.0412 -10.45227 10.35713 
1 1 1    8    5    2 o  451.417   3.6299 27375.27  440.110 27253.28  594.182 27523.55  655.084  450.349   4.9122  452.549   5.3894 -2.200012 7.292158 
1 1 1    8    5    3 o  388.729   3.2886 20298.93  343.357 20331.97  443.770 20249.64  541.985  389.010   4.2472  388.178   5.1983 0.8320007 6.712793 
1 1 1    8    5    4 o  260.943   2.2379  9145.55  156.846  9142.60  202.373  9149.98  248.207  260.890   2.8880  260.982   3.5409 -0.9149170E-01 4.569313 
1 1 1    8    5    5 o  275.055   2.2441 10161.47  165.791  9976.20  221.790 10396.10  249.593  272.521   3.0301  278.190   3.3404 -5.668945 4.509933 
1 1 1    8    5    6 o  623.928   4.9981 52314.61  837.594 52976.43  1143.57 51548.67  1230.24  627.685   6.7831  619.096   7.3984 8.588623 10.03732 
1 1 1    8    5    7 o  479.593   4.0426 30903.50  520.748 31133.42  826.159 30751.93  670.779  481.208   6.3920  478.342   5.2209 2.865845 8.253260 
1 1 1    8    5    8 o  771.611   7.2437 80082.52  1501.25 80186.07  2452.95 80020.49  1898.28  771.103   11.844  770.950   9.1673 0.1527710 14.97703 
1 1 1    8    5    9 o  480.999   3.8657 31085.64  499.421 31757.01  686.049 30328.76  728.430  486.065   5.2549  474.971   5.7099 11.09433 7.759989 
1 1 1    8    5   10 o  331.862   2.5741 14793.81  229.441 14640.48  322.597 14950.77  326.393  330.099   3.6385  333.579   3.6429 -3.479492 5.148762 
1 1 1    8    5   11 o  260.628   2.0413  9123.82  142.899  9083.14  201.493  9164.99  202.691  260.025   2.8851  261.193   2.8892 -1.168762 4.083025 
1 1 1    8    5   12 o  469.394   3.6133 29607.03  455.551 29452.25  641.799 29764.20  646.722  468.026   5.1055  470.497   5.1176 -2.470703 7.228830 
1 1 1    8    5   13 o  231.850   1.9113  7220.37  119.023  7271.32  161.766  7160.24  175.752  232.648   2.5888  230.856   2.8344 1.791840 3.838716 
1 1 1    8    5   14 o  138.462   1.2107  2574.89   45.025  2636.60   61.704  2504.61   65.848  140.106   1.6397  136.552   1.7954 3.554291 2.431449 
1 1 1    8    5   15 o  145.410   1.3229  2839.90   51.667  2806.01   66.123  2893.03   82.793  144.534   1.7033  146.751   2.1005 -2.216431 2.704310 
1 1 1    8    5   16 o  407.013   3.4439 22267.65  376.483 22490.55  489.097 21943.52  589.779  408.919   4.4531  403.764   5.4384 5.154938 7.028968 
1 1 1    8    5   17 f  165.589   1.4784  3683.02   65.752  3704.35   93.058  3661.76   92.917  166.052   2.0865  165.094   2.0954 0.9575348 2.957060 
1 1 1    8    5   18 o   91.437   0.9852  1122.90   24.197  1137.79   32.817  1105.17   35.817   92.037   1.3275   90.707   1.4701 1.330551 1.980830 
1 1 1    8    5   19 o  251.428   1.9764  8492.89  133.469  8420.84  187.650  8566.66  189.878  250.312   2.7911  252.470   2.8001 -2.157425 3.953572 
1 1 1    8    5   20 o  276.912   2.1663 10302.65  161.123 10391.83  229.103 10215.38  226.642  278.042   3.0678  275.672   3.0609 2.370026 4.333689 
1 1 1    8    5   21 o   61.659   1.0762  510.638   17.823  515.462   28.212  507.435   22.992   61.945   1.6957   61.463   1.3928 0.4812889 2.194311 
1 1 1    8    5   22 o   49.748   0.7759  332.380   10.367  326.839   15.439  336.930   13.990   49.329   1.1653   50.086   1.0400 -0.7564468 1.561868 
1 1 1    8    5   23 o  275.839   2.8264 10227.45  209.400 10386.89  394.785 10165.03  247.009  277.666   5.2935  274.946   3.3448 2.719727 6.261741 
1 1 1    8    5   24 o   81.674   1.1461  895.982   25.142  906.818   43.146  890.410   30.937   82.154   1.9553   81.416   1.4147 0.7376328 2.413470 
1 1 1    8    5   25 o   98.650   1.0058  1307.13   26.652  1320.01   49.186  1301.77   31.710   99.120   1.8475   98.445   1.1993 0.6743088 2.202623 
1 1 1    8    5   26 o  251.984   2.0734  8532.56  140.326  8564.11  208.643  8506.51  189.621  252.354   3.0782  251.533   2.8067 0.8208771 4.165701 
1 1 1    8    5   27 o   50.216   0.7657  338.677   10.327  341.235   14.667  336.163   14.544   50.403   1.0834   50.027   1.0824 0.3759651 1.531456 
1 1 1    8    5   28 o  226.790   1.8808  6911.83  114.570  6985.90  170.911  6851.37  154.396  227.913   2.7920  225.735   2.5465 2.178116 3.778852 
1 1 1    8    5   29 o  140.193   1.2393  2640.32   46.664  2627.63   62.891  2655.86   69.605  139.838   1.6745  140.578   1.8434 -0.7403870 2.490401 
1 1 1    8    5   30 o  118.251   1.1419  1878.49   36.268  1871.40   46.695  1889.28   57.579  118.016   1.4731  118.562   1.8081 -0.5468445 2.332245 
1 1 1    8    5   31 o  168.238   1.4420  3803.29   65.160  3800.26   96.467  3805.83   88.366  168.113   2.1364  168.253   1.9554 -0.1405334 2.896166 
1 1 1    8    5   32 o  112.952   1.1062  1714.04   33.560  1708.47   47.335  1719.68   47.586  112.745   1.5631  113.115   1.5663 -0.3690033 2.212831 
1 1 1    8    5   33 o   67.791   0.7410  617.299   13.492  618.152   18.316  616.288   19.949   67.832   1.0053   67.727   1.0966 0.1048126 1.487735 
1 1 1    8    5   34 o   37.194   0.7515  185.831   7.5075  185.568   9.4652  186.278   12.328   37.165   0.9482   37.231   1.2328 -0.6590271E-01 1.555262 
1 1 1    8    5   35 o   55.377   0.7950  411.970   11.824  400.236   16.328  424.910   17.146   54.575   1.1139   56.231   1.1353 -1.656414 1.590468 
1 1 1    8    5   36 o  127.515   1.2738  2185.62   43.628  2145.89   57.906  2237.78   66.352  126.305   1.7069  128.954   1.9157 -2.648972 2.565834 
1 1 1    8    5   37 o   56.464   0.8502  428.341   12.894  417.220   18.111  439.772   18.361   55.713   1.2103   57.200   1.1951 -1.486599 1.700907 
1 1 1    8    5   38 o   37.900   0.8291  192.992   8.4399  179.778   12.685  203.490   11.306   36.568   1.2915   38.911   1.0818 -2.343388 1.684692 
1 1 1    8    5   39 o   39.981   0.9150  214.803   9.8255  228.287   17.770  208.866   11.792   41.190   1.6062   39.419   1.1138 1.771484 1.954561 
1 1 1    8    5   40 o   73.175   0.8138  719.492   15.994  720.467   22.576  718.509   22.661   73.204   1.1482   73.104   1.1541 0.9995270E-01 1.627979 
1 1 1    8    5   41 o   44.638   0.8028  267.755   9.6247  263.551   13.135  272.629   14.144   44.274   1.1046   45.027   1.1695 -0.7528534 1.608662 
1 1 1    8    5   42 o   73.346   0.8598  723.059   16.938  703.348   24.918  739.991   23.094   72.303   1.2831   74.175   1.1592 -1.872025 1.729178 
1 1 1    8    5   43 o   59.174   0.8807  470.705   13.998  479.621   17.911  456.716   22.436   59.714   1.1168   58.240   1.4342 1.473289 1.817755 
1 1 1    8    5   44 o   34.309   0.8785  158.254   8.0954  154.992   10.907  162.255   12.080   33.938   1.1965   34.718   1.2955 -0.7799988 1.763501 
1 1 1    8    5   45 o   28.437   0.9272  108.743   7.0822  106.895   9.8719  110.703   10.166   28.176   1.3045   28.673   1.3201 -0.4965668 1.855842 
1 1 1    8    5   46 f   39.925   0.8960  214.354   9.6085  186.343   14.516  236.198   12.819   37.186   1.4534   41.893   1.1392 -4.707829 1.846649 
1 1 1    8    5   47 o   28.797   1.0439  111.584   8.0745  112.398   11.095  110.667   11.773   28.878   1.4305   28.606   1.5379 0.2720833 2.100342 
1 1 1    8    5   48 o   16.755   1.4085   38.110   6.2797   39.493   9.0073   36.802   8.7597   16.966   2.0160   16.366   2.0368 0.6001015 2.865814 
1 1 1    8    5   49 o   39.416   0.8690  208.974   9.2001  218.877   13.124  199.405   12.901   40.309   1.2122   38.470   1.2485 1.838428 1.740181 
1 1 1    8    5   50 o   50.942   0.9327  349.220   12.762  342.223   17.975  356.332   18.122   50.377   1.3285   51.407   1.3125 -1.030491 1.867459 
1 1 1    8    5   51 o   28.640   1.2111  110.564   9.3165   94.008   13.031  127.873   13.325   26.278   1.8582   30.713   1.6210 -4.434345 2.465926 
1 1 1    8    5   52 f   30.348   1.1513  124.130   9.3848  114.384   13.122  134.334   13.427   29.025   1.6906   31.480   1.5932 -2.455620 2.323003 
1 1 1    8    5   53 o   6.8190   2.6016   4.4667   6.6224  -8.2064   9.2276   17.926   9.5096   5.5122   2.5656   11.226   3.0670 -5.713303 3.998562 
1 1 1    8    5   54 o   31.285   1.0887  131.879   9.1482  132.168   12.996  131.595   12.880   31.266   1.5476   31.200   1.5370 0.6641579E-01 2.181107 
1 1 1    8    5   55 o   40.716   0.9581  223.241   10.478  215.587   14.287  232.150   15.414   39.962   1.3311   41.460   1.3842 -1.497948 1.920346 
1 1 1    8    5   56 o   11.979   2.3076   20.236   7.1553   14.235   10.009   26.508   10.233   10.191   3.2462   13.623   2.8862 -3.432557 4.343717 
1 1 1    8    5   57 o   32.948   1.0414  146.377   9.2158  157.346   13.302  136.253   12.780   34.096   1.4525   31.720   1.5000 2.375713 2.088032 
1 1 1    8    5   58 o   33.783   1.0408  153.999   9.4440  160.877   13.392  147.196   13.320   34.452   1.4472   32.943   1.5054 1.509808 2.088223 
1 1 1    8    5   59 o   25.254   1.7572   87.431   11.845   85.386   16.744   89.479   16.757   24.675   2.5640   25.291   2.4996 -0.6159039 3.580784 
1 1 1    8    5   60 o   13.439   2.7685   26.228   9.6606   25.661   12.261   27.156   15.687   13.112   3.4390   13.409   4.0300 -0.2966137 5.297903 
1 1 1    8    5   61 o   24.559   1.9314   83.658   12.638   70.072   19.130   94.180   16.835   21.766   3.3819   25.822   2.4569 -4.056053 4.180161 
1 1 1    8    5   62 o   12.999   2.6756   24.814   9.0304   16.145   12.425   34.523   13.148   10.592   3.6273   15.094   3.3322 -4.502402 4.925485 
1 1 1    8    6  -61 o   20.356   2.2416   58.430   12.052   77.303   18.665   44.934   15.784   22.986   3.1025   17.226   3.5301 5.760138 4.699657 
1 1 1    8    6  -60 o   18.601   1.9110   48.055   9.4115   46.789   12.868   49.512   13.801   18.046   2.7411   18.519   2.8673 -0.4730625 3.966686 
1 1 1    8    6  -59 o   22.454   1.5692   68.974   9.4040   59.689   12.653   80.433   14.056   20.651   2.3215   24.052   2.2001 -3.401512 3.198403 
1 1 1    8    6  -58 o   9.0354   3.0682   10.797   8.8887   14.246   13.081   7.8394   12.116   10.486   3.7131   8.9763   3.4939 1.509403 5.098453 
1 1 1    8    6  -57 o   23.218   1.4672   73.306   9.1025   72.971   11.468   73.876   14.965   23.077   1.8661   23.057   2.4542 0.2052879E-01 3.083123 
1 1 1    8    6  -56 o   18.968   1.6419   49.121   8.2823   48.044   12.772   49.903   10.880   18.520   2.6426   19.005   2.1702 -0.4855423 3.419546 
1 1 1    8    6  -55 o   81.341   0.9711  891.146   21.216  859.967   31.308  917.624   28.851   79.759   1.4614   82.445   1.3029 -2.685905 1.957879 
1 1 1    8    6  -54 f   65.291   0.9895  574.123   17.353  590.401   23.471  554.495   25.773   66.137   1.3212   64.049   1.4982 2.088707 1.997540 
1 1 1    8    6  -53 o   6.6923   2.5836   4.0574   6.5832   18.083   9.3425  -9.7748   9.2780   11.265   3.0242   5.3463   2.5154 5.918466 3.933626 
1 1 1    8    6  -52 o   32.445   1.1002  141.848   9.5875  138.599   13.675  144.988   13.445   32.013   1.5904   32.751   1.5285 -0.7382355 2.205813 
1 1 1    8    6  -51 o   11.913   2.1663   19.878   6.6764   9.8062   9.1314   31.446   9.7862   8.8962   3.1062   14.981   2.5216 -6.085105 4.000868 
1 1 1    8    6  -50 o   25.676   1.0730   88.786   7.3997   88.506   10.491   89.064   10.439   25.552   1.5357   25.635   1.5229 -0.8264542E-01 2.162839 
1 1 1    8    6  -49 o   23.656   1.1129   75.360   7.0712   73.366   10.080   77.291   9.9221   23.249   1.6245   23.876   1.5557 -0.6268692 2.249268 
1 1 1    8    6  -48 o   38.519   0.9910  199.647   10.253  198.363   14.538  200.919   14.462   38.355   1.4112   38.603   1.3948 -0.2480888 1.984160 
1 1 1    8    6  -47 o   14.676   1.4775   29.334   5.7452   23.047   8.7260   34.145   7.6331   12.791   2.6278   15.792   1.8337 -3.001044 3.204394 
1 1 1    8    6  -46 o   74.386   0.9596  744.268   19.173  771.579   29.462  724.206   25.251   75.661   1.4498   73.331   1.2821 2.330681 1.935324 
1 1 1    8    6  -45 o   80.672   0.9964  875.392   21.590  891.563   29.110  855.621   32.188   81.362   1.3321   79.674   1.5041 1.688263 2.009187 
1 1 1    8    6  -44 o   63.690   0.9792  545.547   16.750  560.020   21.637  523.899   26.462   64.500   1.2490   62.341   1.5804 2.158798 2.014299 
1 1 1    8    6  -43 f   15.242   1.6208   31.663   6.5335   43.176   9.3455   20.656   9.1374   17.773   1.9920   12.095   2.8580 5.677420 3.483716 
1 1 1    8    6  -42 o  124.378   1.1494  2080.89   38.397  2166.93   58.276  2014.89   51.044  126.799   1.7111  122.308   1.5538 4.491043 2.311315 
1 1 1    8    6  -41 o   33.950   0.9943  154.951   9.0668  166.102   12.283  141.599   13.440   35.137   1.3015   32.430   1.5429 2.706821 2.018554 
1 1 1    8    6  -40 o   34.871   0.9275  163.435   8.6868  164.477   10.671  161.388   14.956   34.976   1.1360   34.625   1.6082 0.3505783 1.968918 
1 1 1    8    6  -39 o  141.648   1.2056  2697.68   45.866  2669.32   64.403  2726.87   65.336  140.819   1.7028  142.328   1.7091 -1.508759 2.412561 
1 1 1    8    6  -38 o   98.714   0.9327  1309.46   24.728  1309.76   34.960  1309.17   34.981   98.694   1.3188   98.672   1.3199 0.2220154E-01 1.865886 
1 1 1    8    6  -37 o   58.077   0.7916  453.158   12.348  434.786   18.094  469.175   16.894   56.873   1.1845   59.085   1.0645 -2.211582 1.592548 
1 1 1    8    6  -36 o   56.610   0.9486  430.604   14.423  397.512   26.159  445.058   17.288   54.353   1.7919   57.546   1.1185 -3.192520 2.112314 
1 1 1    8    6  -35 o   48.044   0.8152  310.096   10.520  307.903   14.877  312.289   14.877   47.865   1.1572   48.205   1.1490 -0.3399467 1.630749 
1 1 1    8    6  -34 o  101.619   0.9493  1387.42   25.910  1406.54   40.274  1373.91   33.843  102.286   1.4660  101.108   1.2462 1.178719 1.924071 
1 1 1    8    6  -33 o   81.724   0.8381  897.201   18.397  856.610   27.699  929.240   24.608   79.837   1.2917   83.161   1.1017 -3.323814 1.697737 
1 1 1    8    6  -32 o  116.719   1.1266  1830.42   35.319  1844.26   45.849  1810.21   55.389  117.141   1.4572  116.033   1.7773 1.108765 2.298313 
1 1 1    8    6  -31 o   58.085   0.8632  453.197   13.466  456.088   20.475  450.992   17.877   58.261   1.3084   57.938   1.1488 0.3228035 1.741170 
1 1 1    8    6  -30 o   80.243   0.9543  864.941   20.567  878.547   27.768  848.405   30.612   80.864   1.2785   79.460   1.4343 1.403824 1.921413 
1 1 1    8    6  -29 o   38.017   0.8132  194.126   8.3038  201.707   11.682  186.383   11.806   38.749   1.1224   37.248   1.1801 1.501556 1.628610 
1 1 1    8    6  -28 o   84.300   0.8677  954.512   19.646  934.758   26.022  980.697   29.959   83.418   1.1614   85.440   1.3055 -2.022087 1.747356 
1 1 1    8    6  -27 o  208.134   1.6634  5820.59   92.987  5869.28  122.260  5753.77  143.220  208.965   2.1783  206.863   2.5777 2.102188 3.374829 
1 1 1    8    6  -26 o  246.851   2.0322  8188.88  134.741  8280.25  170.089  8034.92  220.784  248.177   2.5517  244.377   3.3637 3.799469 4.222002 
1 1 1    8    6  -25 o   81.412   0.8542  890.198   18.680  892.741   25.220  887.108   27.801   81.525   1.1518   81.265   1.2737 0.2593536 1.717245 
1 1 1    8    6  -24 o  297.998   2.4294 11935.17  194.449 11767.90  260.825 12144.45  291.751  295.806   3.2828  300.456   3.6153 -4.649597 4.883350 
1 1 1    8    6  -23 o  197.710   1.9417  5251.93  103.110  5333.48  146.797  5172.51  144.862  199.193   2.7438  196.163   2.7494 3.029343 3.884316 
1 1 1    8    6  -22 o  118.707   1.1916  1892.72   37.992  1886.33   56.526  1897.99   51.309  118.495   1.7761  118.864   1.6071 -0.3697586 2.395266 
1 1 1    8    6  -21 o  168.258   1.4309  3802.84   64.665  3846.78   88.214  3751.80   95.072  169.211   1.9410  167.102   2.1183 2.108673 2.873038 
1 1 1    8    6  -20 o  138.357   1.2145  2571.17   45.133  2634.10   61.902  2499.75   65.945  140.031   1.6458  136.409   1.7999 3.621506 2.438930 
1 1 1    8    6  -19 o  135.124   1.3913  2452.53   50.497  2448.39   82.067  2455.06   64.059  134.988   2.2635  135.186   1.7642 -0.1975403 2.869835 
1 1 1    8    6  -18 o  293.348   2.3905 11563.16  188.350 11355.09  276.014 11744.48  257.664  290.599   3.5363  295.568   3.2457 -4.969574 4.799955 
1 1 1    8    6  -17 f  379.707   3.2182 19382.07  328.211 19792.67  429.697 18807.02  508.517  383.576   4.1708  373.752   5.0656 9.824005 6.561688 
1 1 1    8    6  -16 o   75.356   0.9261  762.662   18.744  747.241   26.164  778.920   26.865   74.588   1.3060   76.152   1.3134 -1.564598 1.852256 
1 1 1    8    6  -15 o  341.871   2.6508 15704.94  243.411 15511.58  341.419 15904.80  347.121  339.663   3.7424  343.940   3.7576 -4.276733 5.303265 
1 1 1    8    6  -14 o  464.393   3.5774 28989.76  446.215 28989.83  630.954 28989.69  631.132  464.174   5.0609  464.172   5.0623 0.1373291E-02 7.158172 
1 1 1    8    6  -13 o  213.819   1.6969  6140.99   97.451  6301.34  140.008  5990.30  135.724  216.572   2.4069  211.160   2.3931 5.412338 3.394103 
1 1 1    8    6  -12 o  315.242   2.4501 13350.66  207.453 13215.40  291.392 13489.68  295.416  313.586   3.4596  316.823   3.4716 -3.236603 4.901091 
1 1 1    8    6  -11 o  226.448   1.7894  6887.66  108.837  6865.60  153.544  6909.94  154.296  226.066   2.5287  226.795   2.5330 -0.7286377 3.579165 
1 1 1    8    6  -10 o   49.148   0.7183  324.397   9.4825  338.444   13.408  310.341   13.413   50.200   0.9944   48.070   1.0388 2.129513 1.438059 
1 1 1    8    6   -9 o  139.811   1.1642  2625.24   43.717  2609.03   61.581  2641.71   62.072  139.375   1.6450  140.245   1.6478 -0.8702240 2.328412 
1 1 1    8    6   -8 o  444.686   3.4266 26568.33  409.270 26732.69  580.635 26406.04  576.972  445.959   4.8475  443.226   4.8466 2.732910 6.854756 
1 1 1    8    6   -7 o  293.446   2.2858 11566.41  180.158 11517.73  253.983 11615.72  255.588  292.801   3.2295  294.044   3.2362 -1.242706 4.571970 
1 1 1    8    6   -6 o  520.131   3.9965 36350.93  558.318 36984.08  798.531 35745.40  780.926  524.502   5.6683  515.646   5.6385 8.855286 7.995164 
1 1 1    8    6   -5 o  386.332   3.4454 20051.39  357.511 20511.95  544.100 19701.49  474.258  390.652   5.1856  382.891   4.6116 7.761871 6.939493 
1 1 1    8    6   -4 o  203.720   1.8718  5574.09  102.419  5742.34  180.777  5494.56  124.290  206.749   3.2554  202.256   2.2879 4.493408 3.978983 
1 1 1    8    6   -3 o   57.516   1.1472  444.283   17.723  405.839   24.157  489.094   26.081   54.970   1.6362   60.346   1.6091 -5.375622 2.294843 
1 1 1    8    6   -2 f  594.398   4.9967 47481.78  797.721 47557.25  1030.81 47369.09  1259.55  594.729   6.4531  593.375   7.9031 1.354004 10.20298 
1 1 1    8    6   -1 o  260.245   2.2326  9096.79  156.058  9040.42  200.624  9183.16  248.328  259.425   2.8792  261.450   3.5363 -2.024384 4.560184 
1 1 1    8    6    0 o  112.015   0.9748  1685.09   29.328  1671.74   41.347  1698.60   41.606  111.568   1.3798  112.461   1.3774 -0.8929214 1.949617 
1 1 1    8    6    1 o  351.461   2.7202 16592.28  256.781 16511.31  361.987 16674.29  364.311  350.565   3.8444  352.291   3.8502 -1.725708 5.440899 
1 1 1    8    6    2 f  228.578   2.2086  7017.64  135.598  7013.51  171.505  7024.52  221.459  228.501   2.7945  228.663   3.6058 -0.1622925 4.561906 
1 1 1    8    6    3 o   83.288   1.0484  931.616   23.454  961.156   36.480  910.803   30.621   84.596   1.6055   82.351   1.3844 2.244926 2.119969 
1 1 1    8    6    4 o  213.397   1.8531  6116.23  106.212  6110.50  137.025  6124.84  168.111  213.290   2.3919  213.531   2.9312 -0.2409210 3.783235 
1 1 1    8    6    5 o  247.871   2.1323  8252.31  141.958  8227.05  182.893  8290.59  225.147  247.480   2.7515  248.419   3.3743 -0.9390869 4.353939 
1 1 1    8    6    6 o  202.896   2.2847  5529.47  124.507  5774.42  221.452  5416.25  150.556  207.305   3.9772  200.800   2.7915 6.505569 4.859084 
1 1 1    8    6    7 o  248.946   2.0421  8324.09  136.547  8212.46  183.241  8463.49  204.758  247.256   2.7592  251.000   3.0372 -3.743408 4.103393 
1 1 1    8    6    8 o  612.817   4.7029 50476.74  774.086 49971.62  1087.02 50996.45  1102.60  609.487   6.6402  615.700   6.6674 -6.213745 9.409889 
1 1 1    8    6    9 o  189.974   1.5890  4847.28   81.081  4867.95  110.164  4822.85  119.768  190.371   2.1545  189.483   2.3533 0.8874817 3.190604 
1 1 1    8    6   10 o  253.461   1.9884  8629.11  135.367  8613.36  191.285  8644.91  191.592  253.207   2.8126  253.670   2.8120 -0.4632568 3.977219 
1 1 1    8    6   11 o  451.537   3.4777 27398.23  421.772 27693.45  600.725 27111.21  592.314  453.819   4.9283  449.025   4.9112 4.794037 6.957635 
1 1 1    8    6   12 o  235.007   1.8528  7418.40  116.950  7510.16  166.622  7329.31  164.189  236.432   2.6238  233.568   2.6172 2.863724 3.705976 
1 1 1    8    6   13 o  115.661   1.2243  1796.72   38.034  1783.80   53.574  1809.85   54.005  115.239   1.7309  116.077   1.7322 -0.8384628 2.448736 
1 1 1    8    6   14 o  250.198   2.0533  8409.41  137.982  8361.98  186.040  8467.40  205.712  249.459   2.7766  251.012   3.0512 -1.552658 4.125470 
1 1 1    8    6   15 o   90.479   0.8865  1099.48   21.543  1132.92   29.469  1061.10   31.573   91.842   1.1946   88.882   1.3226 2.959999 1.782220 
1 1 1    8    6   16 o  111.842   1.3993  1680.16   42.035  1693.66   59.562  1666.76   59.331  112.281   1.9750  111.385   1.9832 0.8956223 2.798885 
1 1 1    8    6   17 f  514.396   4.8525 35617.04  670.436 35720.74  775.731 35310.95  1332.77  514.945   5.6087  510.412   9.7217 4.532806 11.22357 
1 1 1    8    6   18 o  222.119   1.8389  6627.95  109.710  6666.96  148.971  6581.73  162.174  222.740   2.4901  221.298   2.7284 1.442093 3.693873 
1 1 1    8    6   19 o  387.160   3.1287 20150.12  325.350 19758.73  434.738 20648.39  490.526  383.225   4.2236  391.679   4.6627 -8.454712 6.291243 
1 1 1    8    6   20 o  189.237   1.5891  4810.51   80.770  4891.41  121.019  4745.52  108.462  190.792   2.3616  187.934   2.1487 2.857330 3.192815 
1 1 1    8    6   21 o   80.930   0.9251  879.682   20.109  908.451   34.914  865.401   24.598   82.236   1.5807   80.269   1.1409 1.966866 1.949446 
1 1 1    8    6   22 o  235.065   2.0347  7424.13  128.463  7716.97  208.094  7243.81  163.294  239.569   3.2340  232.156   2.6188 7.412567 4.161309 
1 1 1    8    6   23 o  200.627   1.7590  5407.60   94.786  5566.60  152.362  5307.21  121.066  203.496   2.7876  198.731   2.2681 4.765839 3.593744 
1 1 1    8    6   24 o   42.404   0.8278  241.501   9.4284  254.235   13.196  228.219   13.476   43.506   1.1293   41.219   1.2172 2.286640 1.660383 
1 1 1    8    6   25 o  199.669   1.7542  5356.45   94.078  5442.16  134.335  5273.96  131.794  201.214   2.4856  198.081   2.4772 3.133194 3.509269 
1 1 1    8    6   26 o  160.031   1.3789  3440.35   59.269  3485.96   88.553  3403.34   79.772  161.058   2.0471  159.147   1.8662 1.910767 2.770049 
1 1 1    8    6   27 o  117.173   1.1342  1844.24   35.694  1825.14   56.044  1857.28   46.298  116.544   1.7904  117.577   1.4660 -1.032768 2.314032 
1 1 1    8    6   28 o  125.794   1.1954  2125.72   40.388  2167.92   57.595  2084.90   56.652  127.017   1.6882  124.561   1.6933 2.455925 2.391119 
1 1 1    8    6   29 o  121.856   1.1589  1994.76   37.930  1961.47   53.127  2029.37   54.169  120.815   1.6372  122.889   1.6412 -2.073265 2.318141 
1 1 1    8    6   30 o  231.019   1.8328  7173.89  113.725  7178.80  160.828  7168.98  160.835  230.993   2.5922  230.835   2.5941 0.1583557 3.667273 
1 1 1    8    6   31 o  141.403   1.3089  2686.67   49.710  2689.74   70.297  2683.61   70.304  141.445   1.8504  141.284   1.8527 0.1614380 2.618443 
1 1 1    8    6   32 o  114.245   1.0181  1753.50   31.242  1751.74   44.112  1755.27   44.255  114.166   1.4385  114.281   1.4418 -0.1150055 2.036683 
1 1 1    8    6   33 o  116.836   1.0333  1834.07   32.426  1836.06   42.404  1831.28   50.318  116.881   1.3507  116.710   1.6052 0.1709900 2.097887 
1 1 1    8    6   34 o  127.819   1.1551  2195.50   39.654  2160.58   53.214  2239.10   59.465  126.764   1.5629  129.031   1.7158 -2.266998 2.320939 
1 1 1    8    6   35 o   13.603   1.3957   25.138   5.0273   32.210   7.0819   17.955   7.1377   15.376   1.7458   11.330   2.4190 4.045227 2.983215 
1 1 1    8    6   36 o   44.711   0.7924  268.568   9.5160  257.388   13.334  280.173   13.585   43.762   1.1344   45.659   1.1078 -1.896748 1.585563 
1 1 1    8    6   37 o  150.526   1.4648  3047.14   59.220  3080.08   79.765  3006.68   88.399  151.253   1.9634  149.392   2.2031 1.861633 2.951031 
1 1 1    8    6   38 o   63.083   0.8942  534.725   15.150  551.769   22.544  520.688   20.459   64.059   1.3103   62.233   1.2239 1.825481 1.792993 
1 1 1    8    6   39 o   27.785   0.9504  103.750   7.0927  100.268   10.732  106.450   9.4511   27.261   1.4711   28.136   1.2506 -0.8752689 1.930862 
1 1 1    8    6   40 o   60.126   0.7771  485.759   12.549  474.662   17.586  497.271   17.913   59.418   1.1019   60.817   1.0966 -1.398952 1.554598 
1 1 1    8    6   41 o   48.899   0.7794  321.321   10.236  333.958   14.577  309.027   14.377   49.836   1.0890   47.938   1.1166 1.897823 1.559708 
1 1 1    8    6   42 o   99.787   1.0995  1339.21   29.469  1367.46   36.436  1285.77   50.108  100.797   1.3458   97.630   1.9109 3.166710 2.337240 
1 1 1    8    6   43 f  133.114   1.5219  2387.19   54.413  2382.41   72.025  2393.53   83.050  132.821   2.0190  133.010   2.3247 -0.1889648 3.079021 
1 1 1    8    6   44 o   30.219   0.9358  122.801   7.5956  110.741   11.071  133.525   10.440   28.635   1.4442   31.496   1.2341 -2.860876 1.899639 
1 1 1    8    6   45 o   23.595   1.1765   74.936   7.4559   73.428   9.9816   76.839   11.214   23.280   1.6062   23.795   1.7672 -0.5155354 2.388090 
1 1 1    8    6   46 o   9.3660   2.3883   12.350   6.0266   11.043   8.4860   13.681   8.5604   9.1652   2.9952   9.9574   2.9734 -0.7922812 4.220508 
1 1 1    8    6   47 o   25.669   1.0400   88.665   7.1703   86.705   10.525   90.363   9.7953   25.305   1.5560   25.853   1.4160 -0.5479965 2.103875 
1 1 1    8    6   48 o   62.802   0.8229  530.395   13.881  550.891   19.763  510.436   19.502   63.962   1.1504   61.564   1.1794 2.397568 1.647536 
1 1 1    8    6   49 o   19.401   1.3883   51.021   7.1863   45.600   11.080   54.957   9.4414   18.175   2.3228   20.083   1.7683 -1.907719 2.919354 
1 1 1    8    6   50 o   41.214   0.9192  228.592   10.175  240.646   13.802  214.238   15.061   42.254   1.2161   39.843   1.4073 2.410435 1.859972 
1 1 1    8    6   51 o   29.558   1.0859  117.699   8.6213  129.333   11.440  102.407   13.116   30.955   1.3759   27.441   1.7893 3.514378 2.257203 
1 1 1    8    6   52 o   32.225   1.0806  139.910   9.3531  143.114   15.064  137.900   11.932   32.464   1.7339   31.958   1.3900 0.5052452 2.222267 
1 1 1    8    6   53 o   4.7798   2.2093  -5.3628   6.6651 -16.7796   9.3027   6.6797   9.5542   4.6763   2.2801   8.2091   3.1265 -3.532794 3.869657 
1 1 1    8    6   54 f   30.171   1.0993  122.678   8.9088  116.897   12.544  128.562   12.655   29.352   1.5971   30.836   1.5280 -1.483765 2.210272 
1 1 1    8    6   55 o   21.280   1.5040   61.537   8.5411   58.684   10.826   66.239   13.899   20.689   1.9721   21.890   2.4036 -1.200365 3.109083 
1 1 1    8    6   56 o   30.111   1.1523  122.324   9.3193  119.584   13.836  124.599   12.608   29.635   1.7460   30.295   1.5547 -0.6598072 2.337894 
1 1 1    8    6   57 o   13.607   2.1240   25.884   7.5093   35.222   10.479   16.027   10.766   15.804   2.5560   10.700   3.3619 5.104326 4.223173 
1 1 1    8    6   58 o   45.217   1.1481  276.312   13.944  269.414   21.391  281.409   18.388   44.449   1.7918   45.530   1.5036 -1.081013 2.339081 
1 1 1    8    6   59 o   21.543   1.5896   63.551   9.1330   51.433   12.868   75.852   12.965   19.060   2.5798   23.393   2.0853 -4.332548 3.317254 
1 1 1    8    6   60 o   23.989   1.6418   79.018   10.515   96.258   15.510   64.353   14.304   26.260   2.2198   21.301   2.5509 4.958374 3.381473 
1 1 1    8    6   61 o   12.806   2.6924   24.024   8.9667   22.350   12.545   25.772   12.821   12.144   3.5934   12.997   3.5655 -0.8522749 5.062158 
1 1 1    8    7  -61 o   15.885   3.0190   37.438   12.410   53.366   17.491   21.296   17.609   18.698   3.6136   12.036   4.3032 6.661868 5.619222 
1 1 1    8    7  -60 o   12.957   2.6281   24.421   8.8333   28.006   12.329   20.639   12.662   13.634   3.3828   11.761   3.6379 1.872684 4.967659 
1 1 1    8    7  -59 o   42.315   1.2629  242.845   14.354  229.919   19.791  257.189   20.849   40.968   1.7986   43.333   1.7913 -2.364960 2.538448 
1 1 1    8    7  -58 o   17.506   2.0532   42.601   9.4710   27.833   14.640   53.230   12.420   13.660   3.8337   19.474   2.4272 -5.813707 4.537467 
1 1 1    8    7  -57 o   11.057   2.7667   17.620   8.1966   21.997   11.952   13.733   11.262   12.293   3.4688   10.146   3.4535 2.146739 4.894826 
1 1 1    8    7  -56 o   39.516   1.0350  210.550   10.985  207.171   16.526  213.223   14.703   39.096   1.5738   39.705   1.3787 -0.6093445 2.092320 
1 1 1    8    7  -55 o   35.371   1.0559  168.636   10.031  171.441   15.314  166.528   13.277   35.579   1.6025   35.099   1.4083 0.4799652 2.133372 
1 1 1    8    7  -54 o   33.768   1.0612  153.653   9.6251  150.012   12.751  158.476   14.675   33.320   1.4248   34.220   1.5966 -0.9004059 2.139906 
1 1 1    8    7  -53 o   41.393   0.9371  230.685   10.419  235.749   14.655  225.509   14.815   41.795   1.3055   40.870   1.3496 0.9246712 1.877703 
1 1 1    8    7  -52 o   15.885   1.6570   34.514   6.9656   45.431   10.115   24.669   9.6059   18.159   2.1135   13.167   2.8022 4.991684 3.509850 
1 1 1    8    7  -51 o   22.871   1.3927   70.887   8.5150   71.240   12.158   70.547   11.929   22.820   2.0039   22.714   1.9750 0.1063499 2.813613 
1 1 1    8    7  -50 o   65.377   0.8668  575.136   15.221  576.312   22.232  574.097   20.884   65.371   1.2662   65.261   1.1914 0.1100998 1.738577 
1 1 1    8    7  -49 o   5.7582   2.3013   2.2556   5.3811  -3.6883   8.2223   6.7089   7.1169   5.7338   2.5727   7.6060   2.7340 -1.872165 3.754076 
1 1 1    8    7  -48 o   64.479   0.8413  559.193   14.571  549.603   20.561  568.867   20.652   63.873   1.1985   64.986   1.1832 -1.112350 1.684119 
1 1 1    8    7  -47 o   41.797   1.0146  235.090   11.390  260.543   17.646  216.907   14.914   43.949   1.4948   40.113   1.3842 3.836365 2.037306 
1 1 1    8    7  -46 o   28.010   1.0892  105.592   8.1942   98.491   13.026  110.243   10.541   26.941   1.8107   28.602   1.3721 -1.661247 2.271853 
1 1 1    8    7  -45 o   71.394   0.9328  685.535   17.886  695.253   24.395  674.237   26.303   71.854   1.2640   70.740   1.3844 1.113495 1.874631 
1 1 1    8    7  -44 o   44.300   0.8505  263.862   10.119  261.815   15.200  265.491   13.561   44.095   1.2834   44.417   1.1367 -0.3210983 1.714440 
1 1 1    8    7  -43 o   46.852   0.8980  295.148   11.301  298.865   15.519  290.951   16.489   47.122   1.2261   46.486   1.3207 0.6363373 1.802086 
1 1 1    8    7  -42 o   43.526   0.9535  254.732   11.147  250.920   17.103  257.546   14.698   43.162   1.4753   43.747   1.2509 -0.5840149 1.934228 
1 1 1    8    7  -41 o   74.232   0.8718  740.678   17.382  765.160   23.630  711.809   25.660   75.422   1.1665   72.729   1.3136 2.692528 1.756743 
1 1 1    8    7  -40 f   74.297   1.0079  742.095   20.113  754.627   25.043  719.319   33.760   74.902   1.2448   73.076   1.7200 1.825752 2.123230 
1 1 1    8    7  -39 o   55.631   0.8005  415.852   11.962  418.586   16.100  412.482   17.871   55.801   1.0742   55.385   1.2014 0.4154778 1.611579 
1 1 1    8    7  -38 o   68.363   0.9060  628.037   16.635  662.821   25.153  600.992   22.179   70.204   1.3339   66.856   1.2351 3.347885 1.817915 
1 1 1    8    7  -37 o   59.509   0.8011  475.805   12.805  483.102   17.346  467.066   18.982   59.953   1.0772   58.944   1.1990 1.009209 1.611813 
1 1 1    8    7  -36 f   76.869   0.8463  793.905   17.473  793.319   25.656  794.411   23.862   76.820   1.2434   76.878   1.1556 -0.5810547E-01 1.697515 
1 1 1    8    7  -35 o   19.665   1.1696   52.161   6.1499   47.443   9.5347   55.521   8.0476   18.676   1.9285   20.265   1.4889 -1.588938 2.436433 
1 1 1    8    7  -34 o  101.079   0.9405  1372.76   25.533  1374.82   36.067  1370.68   36.152  101.131   1.3278  100.979   1.3329 0.1526413 1.881412 
1 1 1    8    7  -33 o  124.057   1.0838  2067.99   36.113  1998.62   54.662  2121.72   48.106  121.911   1.6694  125.632   1.4256 -3.721024 2.195257 
1 1 1    8    7  -32 o   62.979   0.7539  532.792   12.753  561.887   18.323  505.449   17.762   64.668   1.0549   61.334   1.0782 3.334316 1.508409 
1 1 1    8    7  -31 o   18.936   1.0447   48.320   5.2930   49.390   6.9281   46.820   8.2032   19.123   1.3577   18.589   1.6605 0.5342960 2.144904 
1 1 1    8    7  -30 o   14.664   1.4374   29.173   5.5886   31.243   7.3455   26.328   8.6115   15.133   1.8454   13.789   2.4131 1.343873 3.037867 
1 1 1    8    7  -29 o   92.418   0.9210  1147.29   22.863  1141.64   30.781  1154.25   34.146   92.181   1.2432   92.685   1.3716 -0.5036697 1.851212 
1 1 1    8    7  -28 o   99.430   0.9638  1327.97   25.738  1343.52   38.303  1315.17   34.754   99.997   1.4261   98.940   1.3078 1.056877 1.934976 
1 1 1    8    7  -27 o   92.662   0.9601  1153.31   23.895  1144.32   33.513  1162.61   34.079   92.291   1.3520   93.026   1.3639 -0.7342072 1.920439 
1 1 1    8    7  -26 o  111.981   1.0390  1684.38   31.251  1680.69   42.246  1688.83   46.441  111.849   1.4062  112.116   1.5422 -0.2665939 2.087086 
1 1 1    8    7  -25 o  194.496   1.7122  5082.71   89.445  5065.24  115.239  5109.17  141.861  194.131   2.2101  194.931   2.7095 -0.8005676 3.496556 
1 1 1    8    7  -24 o  137.996   1.2761  2558.00   47.299  2580.90   67.208  2535.53   66.578  138.596   1.8054  137.372   1.8044 1.223724 2.552560 
1 1 1    8    7  -23 o  183.518   1.5492  4524.43   76.361  4556.03  103.735  4487.05  112.818  184.133   2.0975  182.723   2.2988 1.410110 3.111868 
1 1 1    8    7  -22 o   55.734   0.8683  417.192   12.997  429.596   17.782  402.964   19.045   56.554   1.1707   54.772   1.2946 1.782066 1.745386 
1 1 1    8    7  -21 o  301.517   2.7149 12219.83  219.867 12330.91  331.361 12132.45  293.881  302.719   4.0754  300.332   3.6432 2.386688 5.466386 
1 1 1    8    7  -20 o  239.766   1.8911  7723.43  121.786  7763.15  172.750  7684.19  171.718  240.333   2.6762  239.108   2.6738 1.225281 3.783001 
1 1 1    8    7  -19 o  237.734   1.8755  7592.92  119.760  7721.28  171.158  7469.81  167.629  239.689   2.6586  235.754   2.6473 3.934662 3.751842 
1 1 1    8    7  -18 o  128.544   1.1972  2219.38   41.334  2368.58   67.574  2130.18   52.250  132.780   1.8948  125.928   1.5448 6.851433 2.444688 
1 1 1    8    7  -17 o  293.991   2.5118 11614.81  198.338 12006.32  320.209 11371.11  252.636  298.758   3.9904  290.829   3.2342 7.929077 5.136504 
1 1 1    8    7  -16 o  251.061   2.1604  8468.81  145.685  8393.77  187.190  8584.07  232.008  249.908   2.7888  252.676   3.4186 -2.767929 4.411802 
1 1 1    8    7  -15 o  166.713   1.4174  3733.20   63.466  3683.74   85.160  3795.00   95.183  165.591   1.9147  168.067   2.1086 -2.475922 2.848185 
1 1 1    8    7  -14 o   74.889   0.7590  753.216   15.267  745.536   21.435  761.123   21.750   74.504   1.0711   75.279   1.0757 -0.7748032 1.518041 
1 1 1    8    7  -13 o  222.356   1.7599  6641.54  105.105  6738.39  149.973  6548.06  147.344  223.943   2.4934  220.758   2.4850 3.184937 3.520223 
1 1 1    8    7  -12 f  224.176   1.7728  6750.62  106.742  6663.62  149.677  6840.65  152.268  222.701   2.5023  225.640   2.5125 -2.938339 3.545995 
1 1 1    8    7  -11 o  390.293   3.0169 20469.73  316.258 20298.16  444.371 20645.84  450.199  388.535   4.2582  391.847   4.2776 -3.311188 6.035688 
1 1 1    8    7  -10 o  285.767   2.3288 10970.58  178.747 10867.75  240.725 11096.95  266.864  284.385   3.1515  287.351   3.4577 -2.965515 4.678431 
1 1 1    8    7   -9 o   59.783   0.9696  480.000   15.569  494.857   22.202  465.625   21.839   60.700   1.3618   58.879   1.3809 1.820198 1.939428 
1 1 1    8    7   -8 f  349.378   2.7069 16398.87  254.015 16307.61  357.709 16491.70  360.774  348.340   3.8233  350.299   3.8345 -1.959900 5.414832 
1 1 1    8    7   -7 o   21.239   0.7748   60.582   4.4200   59.491   6.2661   61.663   6.2357   21.017   1.1140   21.400   1.0885 -0.3826008 1.557497 
1 1 1    8    7   -6 o  279.859   2.1847 10520.41  164.221 10383.04  230.288 10662.54  234.250  277.997   3.0842  281.714   3.0959 -3.716339 4.369943 
1 1 1    8    7   -5 o  312.723   2.5382 13137.00  213.196 13234.16  290.052 13022.83  314.431  313.842   3.4409  311.311   3.7604 2.530670 5.097131 
1 1 1    8    7   -4 o  293.649   2.8019 11583.86  220.988 11678.23  314.047 11491.29  311.022  294.797   3.9662  292.428   3.9599 2.368652 5.604608 
1 1 1    8    7   -3 o  391.988   3.7088 20645.83  390.478 20892.83  556.312 20405.96  548.214  394.223   5.2539  389.604   5.2388 4.619232 7.419524 
1 1 1    8    7   -2 o  275.361   2.3566 10184.85  174.296 10240.00  247.359 10130.46  245.635  276.077   3.3358  274.597   3.3304 1.480377 4.713771 
1 1 1    8    7   -1 o  108.082   0.9932  1568.86   28.832  1602.15   39.519  1530.97   42.160  109.221   1.3471  106.767   1.4702 2.454315 1.994024 
1 1 1    8    7    0 o  166.643   1.4137  3729.65   63.278  3679.50   85.051  3791.83   94.701  165.514   1.9132  168.019   2.0985 -2.505264 2.839677 
1 1 1    8    7    1 o  208.628   1.6574  5845.91   92.872  5887.91  131.936  5804.67  130.754  209.366   2.3462  207.881   2.3418 1.485245 3.314909 
1 1 1    8    7    2 o  463.421   3.5669 28854.64  443.969 29213.46  632.931 28507.07  622.924  466.184   5.0548  460.515   5.0362 5.669220 7.135418 
1 1 1    8    7    3 o   87.673   1.0804  1032.33   25.441  982.264   38.112  1072.56   34.167   85.519   1.6592   89.364   1.4235 -3.845749 2.186183 
1 1 1    8    7    4 o  156.919   1.6836  3307.20   70.960  3345.53  109.322  3279.29   93.281  157.814   2.5791  156.249   2.2227 1.564865 3.404755 
1 1 1    8    7    5 o  314.110   2.9896 13255.18  252.222 13115.02  354.198 13399.36  359.247  312.387   4.2214  315.755   4.2359 -3.367401 5.980284 
1 1 1    8    7    6 o  171.150   1.5191  3934.21   69.834  3991.32   90.824  3851.63  109.222  172.381   1.9616  169.331   2.4015 3.050476 3.100836 
1 1 1    8    7    7 o  158.032   1.4158  3354.21   60.094  3297.56   76.894  3443.10   96.322  156.686   1.8271  160.100   2.2400 -3.414093 2.890639 
1 1 1    8    7    8 f  323.011   2.6193 14016.75  227.249 14173.31  309.880 13834.59  334.259  324.762   3.5525  320.838   3.8789 3.923828 5.259849 
1 1 1    8    7    9 o   44.516   0.8136  266.142   9.7280  265.209   13.892  267.041   13.626   44.437   1.1640   44.590   1.1377 -0.1532974 1.627661 
1 1 1    8    7   10 o  153.146   1.2592  3150.05   51.794  3183.24   73.638  3117.57   72.862  153.943   1.7809  152.347   1.7806 1.596115 2.518422 
1 1 1    8    7   11 o  238.029   1.8746  7610.74  119.847  7630.97  169.703  7590.62  169.276  238.317   2.6512  237.686   2.6515 0.6309204 3.749601 
1 1 1    8    7   12 f  222.334   1.7593  6640.09  105.061  6726.56  149.729  6556.23  147.455  223.751   2.4914  220.900   2.4853 2.850769 3.519050 
1 1 1    8    7   13 o  176.817   1.4284  4199.34   67.834  4253.19   96.564  4146.88   95.313  177.932   2.0206  175.694   2.0198 2.237808 2.856943 
1 1 1    8    7   14 o  158.882   1.3588  3390.67   57.987  3480.44   87.312  3319.82   77.562  160.956   2.0196  157.203   1.8369 3.752930 2.730076 
1 1 1    8    7   15 o  237.536   1.8726  7579.96  119.469  7594.80  169.158  7565.19  168.753  237.729   2.6492  237.265   2.6480 0.4638062 3.745737 
1 1 1    8    7   16 o   77.657   0.9482  809.964   19.777  825.763   25.146  784.346   32.020   78.409   1.1940   76.414   1.5601 1.995476 1.964610 
1 1 1    8    7   17 o  212.949   1.8558  6092.11  106.145  6206.80  151.869  5982.58  148.413  214.906   2.6310  210.989   2.6189 3.916718 3.712285 
1 1 1    8    7   18 o  166.749   1.9218  3735.59   86.073  3741.56  105.370  3723.61  149.217  166.867   2.3510  166.417   3.3383 0.4495544 4.083091 
1 1 1    8    7   19 o  163.236   1.7483  3579.64   76.650  3732.73  103.842  3396.36  113.616  166.669   2.3197  158.968   2.6610 7.701447 3.530084 
1 1 1    8    7   20 o   41.949   0.7479  236.343   8.4265  227.266   11.742  245.982   12.100   41.135   1.0628   42.795   1.0527 -1.660355 1.495857 
1 1 1    8    7   21 o   81.030   0.9841  881.866   21.418  839.533   33.898  909.996   27.633   79.054   1.5965   82.309   1.2499 -3.255478 2.027567 
1 1 1    8    7   22 o  334.693   2.8489 15059.11  256.103 14831.48  400.558 15216.50  333.076  331.901   4.4933  336.321   3.6872 -4.419952 5.812501 
1 1 1    8    7   23 o  115.661   1.2403  1796.90   38.532  1867.72   55.492  1730.97   53.545  117.906   1.7523  113.507   1.7563 4.398613 2.480951 
1 1 1    8    7   24 o  151.600   1.3125  3087.26   53.445  3069.64   72.213  3108.61   79.472  151.151   1.7787  152.100   1.9453 -0.9496307 2.635958 
1 1 1    8    7   25 o   60.516   1.0763  491.902   17.494  491.203   22.638  492.939   27.564   60.469   1.3938   60.571   1.6943 -0.1021118 2.193955 
1 1 1    8    7   26 o   71.164   0.8922  680.223   17.053  708.336   23.264  647.578   25.069   72.616   1.1928   69.429   1.3443 3.186623 1.797217 
1 1 1    8    7   27 o  106.364   1.0108  1519.64   28.877  1492.17   42.403  1543.39   39.435  105.385   1.4981  107.182   1.3698 -1.797470 2.029943 
1 1 1    8    7   28 o  194.611   1.7193  5089.80   89.868  5193.48  144.122  5023.84  114.953  196.479   2.7310  193.302   2.2141 3.177414 3.515756 
1 1 1    8    7   29 o   39.265   0.8827  207.096   9.3088  189.480   16.537  215.266   11.263   37.549   1.6397   40.031   1.0475 -2.482086 1.945764 
1 1 1    8    7   30 o  196.743   1.7349  5203.17   91.677  5132.08  128.442  5277.00  130.896  195.303   2.4485  198.040   2.4608 -2.736420 3.471451 
1 1 1    8    7   31 o   99.533   1.0178  1330.95   27.210  1339.32   38.539  1322.63   38.422   99.827   1.4374   99.203   1.4420 0.6241608 2.036002 
1 1 1    8    7   32 o  130.414   1.1198  2285.27   39.224  2299.68   51.402  2265.20   60.688  130.800   1.4631  129.791   1.7409 1.008423 2.274069 
1 1 1    8    7   33 o   45.610   0.7996  279.455   9.7949  281.813   13.744  277.022   13.962   45.795   1.1174   45.403   1.1449 0.3916359 1.599830 
1 1 1    8    7   34 o   46.383   0.7297  289.002   9.0903  272.079   11.670  315.112   14.496   44.999   0.9655   48.423   1.1145 -3.423927 1.474617 
1 1 1    8    7   35 o   44.022   0.7822  260.347   9.2482  251.281   12.954  269.772   13.208   43.240   1.1153   44.803   1.0976 -1.563194 1.564821 
1 1 1    8    7   36 f   37.203   0.8342  185.959   8.3358  190.505   12.902  182.701   10.921   37.644   1.2760   36.870   1.1029 0.7742577 1.686586 
1 1 1    8    7   37 o   75.902   0.8492  774.091   17.313  802.822   25.871  750.789   23.299   77.275   1.2465   74.734   1.1607 2.540718 1.703201 
1 1 1    8    7   38 o   17.592   1.1902   41.797   5.5908   47.113   7.9572   36.615   7.8569   18.643   1.6048   16.391   1.8151 2.251667 2.422790 
1 1 1    8    7   39 o  118.252   1.1042  1879.95   35.071  1886.22   47.372  1872.35   52.169  118.396   1.4897  117.934   1.6469 0.4619141 2.220714 
1 1 1    8    7   40 f   53.710   0.8119  387.676   11.712  400.270   17.564  377.592   15.717   54.554   1.1987   52.992   1.1042 1.562054 1.629773 
1 1 1    8    7   41 o   78.383   0.9213  825.927   19.397  822.878   24.900  830.633   30.935   78.213   1.1853   78.546   1.4663 -0.3332214 1.885483 
1 1 1    8    7   42 o   91.143   0.9975  1117.07   24.418  1118.96   34.482  1115.18   34.582   91.160   1.4083   91.004   1.4148 0.1552429 1.996268 
1 1 1    8    7   43 o   69.102   0.8643  641.990   16.041  656.867   24.195  630.323   21.427   69.851   1.2896   68.441   1.1656 1.410477 1.738330 
1 1 1    8    7   44 o   7.3978   2.4333   7.0963   5.5973   13.199   7.6465   0.0514   8.2156   9.7368   2.7840   6.4021   2.7251 3.334637 3.895750 
1 1 1    8    7   45 o   28.405   1.0292  108.550   7.8523  107.182   11.520  109.737   10.731   28.154   1.5292   28.538   1.4000 -0.3842449 2.073317 
1 1 1    8    7   46 o   14.297   1.6086   27.923   6.0699   29.419   8.4853   26.356   8.6865   14.570   2.2400   13.735   2.4442 0.8346758 3.315394 
1 1 1    8    7   47 o   34.245   0.9419  157.771   8.6639  138.774   13.061  172.700   11.578   32.073   1.5161   35.809   1.2038 -3.736183 1.935921 
1 1 1    8    7   48 o   21.198   1.3395   60.821   7.5876   63.947   12.026   58.753   9.7799   21.620   2.0974   20.772   1.7698 0.8476849 2.744282 
1 1 1    8    7   49 o   36.559   0.8947  179.839   8.7856  195.814   12.694  165.152   12.172   38.114   1.2400   34.998   1.2949 3.116909 1.792838 
1 1 1    8    7   50 o   32.622   0.9439  143.250   8.2708  140.092   11.675  146.432   11.718   32.221   1.3491   32.945   1.3243 -0.7239037 1.890425 
1 1 1    8    7   51 o   47.202   0.9970  300.045   12.641  308.399   18.528  292.770   17.289   47.783   1.4437   46.567   1.3823 1.215385 1.998711 
1 1 1    8    7   52 o   14.492   1.8078   28.897   6.8838   19.990   9.3205   39.587   10.210   11.826   2.9454   16.891   2.3113 -5.064449 3.743968 
1 1 1    8    7   53 o   34.936   1.1326  164.518   10.628  162.351   13.463  168.098   17.311   34.664   1.4460   35.160   1.8394 -0.4960403 2.339779 
1 1 1    8    7   54 o   45.911   0.9463  283.841   11.669  279.478   17.734  287.173   15.497   45.474   1.4519   46.133   1.2507 -0.6594810 1.916329 
1 1 1    8    7   55 o   41.227   0.9290  228.903   10.286  230.367   14.538  227.436   14.557   41.300   1.3106   41.035   1.3207 0.2653770 1.860615 
1 1 1    8    7   56 o   62.160   0.9721  520.735   16.230  501.784   23.476  538.088   22.464   60.892   1.4354   63.092   1.3256 -2.199783 1.953882 
1 1 1    8    7   57 o   18.396   1.9251   46.669   9.3709   40.482   13.852   51.890   12.724   16.741   3.1974   19.238   2.5234 -2.497286 4.073208 
1 1 1    8    7   58 o   22.099   1.5648   66.750   9.2280   60.906   13.054   72.586   13.046   20.868   2.3712   22.879   2.1482 -2.011473 3.199555 
1 1 1    8    7   59 o   5.4412   2.5308  -7.3783   8.9554 -21.8135   13.625   3.6013   11.883   5.7495   2.7935   8.0646   3.3445 -2.315102 4.357693 
1 1 1    8    7   60 o   41.984   1.1997  239.186   13.529  222.843   17.680  262.277   21.015   40.348   1.6314   43.688   1.7909 -3.339916 2.422611 
1 1 1    8    7   61 o   9.0805   3.4919   9.4757   11.989   15.316   16.862   3.5040   17.050   10.890   4.1521   9.1238   3.9057 1.766707 5.700388 
1 1 1    8    8    0 o  959.930   10.405 124080.80  2682.67 123867.00  3790.03 124295.40  3797.71  957.818   14.732  959.471   14.737 -1.653198 20.83761 
1 1 1    8    8    1 o   37.326   0.7580  187.109   7.5992  167.898   11.290  203.023   10.275   35.357   1.1888   38.880   0.9840 -3.523399 1.543206 
1 1 1    8    8    2 o  149.113   1.3477  2986.29   53.975  2990.04   76.451  2982.56   76.215  149.199   1.9078  149.013   1.9043 0.1865845 2.695504 
1 1 1    8    8    3 o  214.262   1.8612  6166.40  107.109  6052.05  167.361  6245.73  139.395  212.238   2.9359  215.623   2.4069 -3.384979 3.796396 
1 1 1    8    8    4 o  467.290   3.5973 29345.26  451.502 29268.91  637.410 29422.14  639.637  466.520   5.0869  467.739   5.0914 -1.218994 7.197182 
1 1 1    8    8    5 o  114.863   1.2210  1771.97   37.668  1737.70   47.169  1832.30   62.582  113.744   1.5440  116.793   1.9950 -3.049644 2.522641 
1 1 1    8    8    6 o  278.649   2.3844 10430.95  178.452 10443.91  230.512 10411.58  281.917  278.790   3.0784  278.319   3.7713 0.4710999 4.868151 
1 1 1    8    8    7 o  379.308   3.2134 19334.39  327.373 19319.43  422.310 19356.92  518.224  379.079   4.1477  379.342   5.0862 -0.2634888 6.563018 
1 1 1    8    8    8 o   70.288   0.8498  663.514   16.043  678.998   21.642  644.629   23.901   71.102   1.1332   69.279   1.2845 1.823723 1.712936 
1 1 1    8    8    9 o  114.265   1.0385  1753.56   31.873  1777.95   43.421  1725.06   46.935  115.053   1.4051  113.327   1.5420 1.726166 2.086133 
1 1 1    8    8   10 o  281.367   2.2955 10636.31  173.478 10664.14  235.095 10603.05  257.042  281.686   3.1073  280.856   3.4074 0.8298035 4.611516 
1 1 1    8    8   11 o  354.772   2.7491 16913.75  261.962 16785.11  368.352 17045.38  372.626  353.308   3.8817  356.035   3.8966 -2.726929 5.500088 
1 1 1    8    8   12 o  189.191   1.5181  4807.87   77.143  4838.94  109.411  4777.14  108.786  189.781   2.1464  188.565   2.1479 1.215851 3.036570 
1 1 1    8    8   13 o  192.692   1.5435  4987.58   79.886  4967.71  112.623  5007.69  113.330  192.286   2.1807  193.058   2.1856 -0.7718353 3.087407 
1 1 1    8    8   14 o  156.102   1.4784  3273.19   61.985  3204.21   82.219  3364.00   94.347  154.435   1.9821  158.231   2.2200 -3.795990 2.976084 
1 1 1    8    8   15 o  190.932   1.8734  4897.54   96.070  4901.29  135.906  4893.80  135.822  190.970   2.6496  190.824   2.6500 0.1459198 3.747383 
1 1 1    8    8   16 o   54.139   0.8675  393.654   12.615  397.323   22.229  391.912   15.321   54.386   1.5218   54.018   1.0560 0.3681450 1.852242 
1 1 1    8    8   17 o  343.910   2.6693 15895.98  246.568 15844.83  348.241 15947.40  349.159  343.223   3.7776  344.333   3.7753 -1.109436 5.340691 
1 1 1    8    8   18 o   77.270   0.8173  801.896   16.961  821.389   23.044  778.851   25.056   78.201   1.0971   76.148   1.2251 2.053131 1.644532 
1 1 1    8    8   19 o  161.300   1.5256  3495.00   66.093  3517.99   88.968  3466.69   98.732  161.812   2.0471  160.618   2.2886 1.194000 3.070545 
1 1 1    8    8   20 o  117.735   1.2557  1861.92   39.710  1833.20   55.208  1892.70   57.159  116.813   1.7596  118.693   1.7930 -1.879761 2.512172 
1 1 1    8    8   21 o   27.981   0.8747  105.155   6.5738  109.503   9.1018  100.414   9.5048   28.552   1.1869   27.341   1.2943 1.210987 1.756072 
1 1 1    8    8   22 o  164.574   1.4753  3638.45   65.213  3685.15   84.819  3570.93  101.987  165.609   1.9068  163.002   2.3295 2.607361 3.010401 
1 1 1    8    8   23 o  203.236   1.6980  5549.52   92.689  5557.21  125.569  5540.30  137.393  203.339   2.2992  203.013   2.5197 0.3262634 3.411015 
1 1 1    8    8   24 o  137.021   1.2682  2522.05   46.674  2476.45   59.643  2594.10   74.968  135.764   1.6356  138.936   2.0090 -3.171387 2.590594 
1 1 1    8    8   25 o  150.415   1.3069  3039.36   52.798  3096.32   72.242  2974.06   77.355  151.797   1.7719  148.761   1.9360 3.035583 2.624446 
1 1 1    8    8   26 o   29.832   0.9207  119.534   7.3769  110.280   10.128  129.993   10.767   28.651   1.3161   31.107   1.2887 -2.455708 1.841920 
1 1 1    8    8   27 o  104.825   0.9975  1476.03   28.083  1482.51   41.669  1470.64   38.014  105.040   1.4769  104.623   1.3528 0.4168854 2.002838 
1 1 1    8    8   28 o   62.603   0.7871  526.406   13.234  524.227   19.631  528.221   17.917   62.466   1.1700   62.706   1.0638 -0.2395935 1.581375 
1 1 1    8    8   29 o   83.754   0.9656  942.326   21.723  929.626   29.196  958.073   32.511   83.178   1.3069   84.436   1.4336 -1.258446 1.939842 
1 1 1    8    8   30 o   70.387   1.0676  665.618   20.183  721.276   29.258  615.088   27.878   73.256   1.4870   67.647   1.5343 5.608826 2.136650 
1 1 1    8    8   31 o   60.740   0.7101  495.575   11.585  512.421   15.755  475.740   17.095   61.759   0.9498   59.504   1.0696 2.254520 1.430472 
1 1 1    8    8   32 o   47.039   0.7302  297.230   9.2260  301.878   12.674  291.991   13.456   47.400   0.9955   46.616   1.0747 0.7844887 1.464936 
1 1 1    8    8   33 o   56.710   0.8204  432.050   12.496  427.835   19.906  434.792   16.053   56.416   1.3137   56.883   1.0507 -0.4664154 1.682173 
1 1 1    8    8   34 o   60.109   0.8540  485.438   13.788  507.557   21.046  468.806   18.250   61.447   1.2752   59.060   1.1504 2.386978 1.717448 
1 1 1    8    8   35 o  110.109   1.0897  1629.46   32.226  1620.53   50.440  1635.61   41.891  109.746   1.7112  110.288   1.4142 -0.5424194 2.219903 
1 1 1    8    8   36 f   35.471   0.7867  169.047   7.4950  176.645   10.620  161.506   10.580   36.252   1.0906   34.663   1.1363 1.589523 1.575045 
1 1 1    8    8   37 o   25.189   0.9021   85.264   6.1032   85.925   8.5673   84.583   8.6967   25.279   1.2618   25.046   1.2972 0.2324162 1.809669 
1 1 1    8    8   38 o   93.923   0.9071  1185.55   22.882  1185.45   32.331  1185.64   32.389   93.886   1.2821   93.893   1.2843 -0.7202148E-02 1.814756 
1 1 1    8    8   39 o   51.111   0.8069  351.048   11.077  357.315   14.947  343.411   16.499   51.552   1.0795   50.531   1.2157 1.020779 1.625778 
1 1 1    8    8   40 o   45.360   0.8574  276.554   10.446  283.091   13.313  266.082   16.852   45.882   1.0803   44.461   1.4111 1.420753 1.777176 
1 1 1    8    8   41 o  115.835   1.2156  1805.44   37.820  1822.49   50.703  1784.06   56.782  116.293   1.6233  115.005   1.8382 1.288429 2.452363 
1 1 1    8    8   42 o   47.009   0.9522  297.163   12.023  296.219   17.837  297.949   16.275   46.897   1.4161   47.045   1.2880 -0.1486359 1.914220 
1 1 1    8    8   43 o   22.396   1.0763   67.485   6.4743   67.796   9.0398   67.158   9.2769   22.377   1.5130   22.265   1.5611 0.1117649 2.173971 
1 1 1    8    8   44 o   13.008   1.7430   23.243   5.9366   31.788   8.4241   14.812   8.3676   15.183   2.1238   10.290   2.9020 4.893011 3.596117 
1 1 1    8    8   45 o   52.593   0.8260  371.916   11.669  373.919   15.978  369.628   17.081   52.706   1.1287   52.393   1.2138 0.3127022 1.657480 
1 1 1    8    8   46 o   32.572   0.9365  142.720   8.1928  140.283   11.813  144.978   11.372   32.262   1.3632   32.803   1.2908 -0.5415459 1.877358 
1 1 1    8    8   47 o   47.417   0.9518  302.530   12.122  292.534   20.495  307.909   15.034   46.540   1.6396   47.813   1.1707 -1.273853 2.014610 
1 1 1    8    8   48 o   27.574   1.1025  102.399   8.1651   87.073   12.167  114.956   11.013   25.305   1.8020   29.190   1.4047 -3.885458 2.284819 
1 1 1    8    8   49 o   29.629   1.0110  118.205   8.0456  124.882   11.191  111.060   11.576   30.421   1.3696   28.634   1.5105 1.786945 2.038954 
1 1 1    8    8   50 o   15.695   1.8574   33.852   7.6783   34.572   11.387   33.251   10.398   15.650   2.8122   15.390   2.6087 0.2607460 3.835880 
1 1 1    8    8   51 o   20.343   1.3475   56.111   7.3209   59.811   10.169   52.131   10.548   20.925   1.8277   19.481   2.0464 1.443956 2.743729 
1 1 1    8    8   52 o   16.148   1.6301   35.644   6.9736   24.024   9.9073   47.055   9.8176   12.967   2.9154   18.504   2.0076 -5.536632 3.539727 
1 1 1    8    8   53 o   28.144   1.0958  106.759   8.2831  112.450   11.853  101.326   11.580   28.794   1.5381   27.320   1.5849 1.474113 2.208595 
1 1 1    8    8   54 o   45.719   0.9445  281.513   11.599  269.510   15.307  297.695   17.774   44.682   1.2755   46.933   1.4100 -2.251331 1.901295 
1 1 1    8    8   55 o   26.871   1.2673   97.526   9.1469   88.532   13.752  104.661   12.249   25.412   2.0319   27.734   1.6518 -2.322552 2.618616 
1 1 1    8    8   56 f   16.418   2.1686   37.500   9.3289   41.063   12.572   33.133   13.917   16.995   2.8554   15.050   3.5077 1.944789 4.522923 
1 1 1    8    8   57 o   9.0990   3.0107   11.204   8.5641   16.511   12.192   6.0361   12.032   10.894   3.5917   8.6032   3.4402 2.291098 4.973443 
1 1 1    8    8   58 o   8.2402   3.0568   7.8326   9.0022   23.001   14.035  -2.7687   11.734   12.475   3.8253   7.0452   3.1225 5.429521 4.937938 
1 1 1    8    8   59 o   12.784   2.7627   23.876   9.2097   20.020   12.737   28.100   13.333   11.645   3.6563   13.631   3.5914 -1.985335 5.125066 
1 1 1    8    8   60 o   6.1144   2.8600  -9.7981   11.697 -17.6996   16.342  -1.4979   16.749   6.8010   3.2402   8.4685   3.7431 -1.667525 4.950765 
1 1 1    9    0  -62 o   7.5790   4.4045   12.808   14.732   12.808   14.732   12.808   14.732   7.5790   4.4045   7.5790   4.4045 0.000000 0.000000 
1 1 1    9    0  -61 o   27.384   1.6553  103.774   12.073  103.774   12.073  103.774   12.073   27.384   1.6553   27.384   1.6553 -0.000000 0.000000 
1 1 1    9    0  -60 o   34.778   1.4724  165.383   13.697  165.383   13.697  165.383   13.697   34.778   1.4724   34.778   1.4724 -0.000000 0.000000 
1 1 1    9    0  -59 o   4.7373   3.1146  -0.9900   10.031  -0.9900   10.031  -0.9900   10.031   4.7373   3.1146   4.7373   3.1146 0.000000 0.000000 
1 1 1    9    0  -58 o   10.620   3.9574   21.166   10.507   21.166   10.507   21.166   10.507   10.620   3.9574   10.620   3.9574 0.000000 0.000000 
1 1 1    9    0  -57 o   37.478   1.3713  190.564   13.761  190.564   13.761  190.564   13.761   37.478   1.3713   37.478   1.3713 0.000000 0.000000 
1 1 1    9    0  -56 o   18.319   4.0998   52.991   17.615   52.991   17.615   52.991   17.615   18.319   4.0998   18.319   4.0998 0.000000 0.000000 
1 1 1    9    0  -55 o   35.113   1.3707  167.184   12.882  167.184   12.882  167.184   12.882   35.113   1.3707   35.113   1.3707 0.000000 0.000000 
1 1 1    9    0  -54 o   3.9486   2.6872  -4.6804   8.7092  -4.6804   8.7092  -4.6804   8.7092   3.9486   2.6872   3.9486   2.6872 -0.000000 0.000000 
1 1 1    9    0  -53 o   22.799   2.0090   72.096   12.083   72.096   12.083   72.096   12.083   22.799   2.0090   22.799   2.0090 0.000000 0.000000 
1 1 1    9    0  -52 o   65.097   1.1977  571.532   20.924  571.532   20.924  571.532   20.924   65.097   1.1977   65.097   1.1977 0.000000 0.000000 
1 1 1    9    0  -51 o   19.575   1.9808   53.415   10.170   53.415   10.170   53.415   10.170   19.575   1.9808   19.575   1.9808 -0.000000 0.000000 
1 1 1    9    0  -50 o   7.1424   3.5909   10.300   8.4804   10.300   8.4804   10.300   8.4804   7.1424   3.5909   7.1424   3.5909 0.000000 0.000000 
1 1 1    9    0  -49 o   86.666   1.2720  1011.94   29.595  1011.94   29.595  1011.94   29.595   86.666   1.2720   86.666   1.2720 -0.000000 0.000000 
1 1 1    9    0  -48 o   58.573   1.2742  462.454   20.024  462.454   20.024  462.454   20.024   58.573   1.2742   58.573   1.2742 0.000000 0.000000 
1 1 1    9    0  -47 o   33.901   2.2726  157.428   20.480  157.428   20.480  157.428   20.480   33.901   2.2726   33.901   2.2726 0.000000 0.000000 
1 1 1    9    0  -46 o   10.111   3.2817   17.591   7.8822   17.591   7.8822   17.591   7.8822   10.111   3.2817   10.111   3.2817 -0.000000 0.000000 
1 1 1    9    0  -45 o   24.718   1.6181   83.327   10.637   83.327   10.637   83.327   10.637   24.718   1.6181   24.718   1.6181 0.000000 0.000000 
1 1 1    9    0  -44 o   15.143   2.1968   32.802   8.3878   32.802   8.3878   32.802   8.3878   15.143   2.1968   15.143   2.1968 -0.000000 0.000000 
1 1 1    9    0  -43 f   26.477   1.4730   95.178   10.401   95.178   10.401   95.178   10.401   26.477   1.4730   26.477   1.4730 0.000000 0.000000 
1 1 1    9    0  -42 o   24.766   1.3514   83.199   8.9283   83.199   8.9283   83.199   8.9283   24.766   1.3514   24.766   1.3514 0.000000 0.000000 
1 1 1    9    0  -41 o   25.242   1.4086   86.461   9.4819   86.461   9.4819   86.461   9.4819   25.242   1.4086   25.242   1.4086 0.000000 0.000000 
1 1 1    9    0  -40 o   25.562   1.9501   89.431   13.210   89.431   13.210   89.431   13.210   25.562   1.9501   25.562   1.9501 0.000000 0.000000 
1 1 1    9    0  -39 o   98.577   1.3191  1306.68   34.910  1306.68   34.910  1306.68   34.910   98.577   1.3191   98.577   1.3191 0.000000 0.000000 
1 1 1    9    0  -38 o   9.6137   3.0428   15.668   6.9101   15.668   6.9101   15.668   6.9101   9.6137   3.0428   9.6137   3.0428 0.000000 0.000000 
1 1 1    9    0  -37 o   37.281   1.1022  187.220   11.015  187.220   11.015  187.220   11.015   37.281   1.1022   37.281   1.1022 -0.000000 0.000000 
1 1 1    9    0  -36 o  107.013   1.9284  1541.11   55.387  1541.11   55.387  1541.11   55.387  107.013   1.9284  107.013   1.9284 -0.000000 0.000000 
1 1 1    9    0  -35 f  151.146   2.1850  3073.64   88.662  3073.64   88.662  3073.64   88.662  151.146   2.1850  151.146   2.1850 0.000000 0.000000 
1 1 1    9    0  -34 o  130.150   1.7295  2277.50   60.434  2277.50   60.434  2277.50   60.434  130.150   1.7295  130.150   1.7295 -0.000000 0.000000 
1 1 1    9    0  -33 o   15.619   1.7226   33.957   7.0021   33.957   7.0021   33.957   7.0021   15.619   1.7226   15.619   1.7226 -0.000000 0.000000 
1 1 1    9    0  -32 o  129.346   1.5750  2248.65   54.698  2248.65   54.698  2248.65   54.698  129.346   1.5750  129.346   1.5750 0.000000 0.000000 
1 1 1    9    0  -31 o   29.014   1.5460  114.044   11.970  114.044   11.970  114.044   11.970   29.014   1.5460   29.014   1.5460 -0.000000 0.000000 
1 1 1    9    0  -30 o   31.707   1.2819  135.695   10.877  135.695   10.877  135.695   10.877   31.707   1.2819   31.707   1.2819 -0.000000 0.000000 
1 1 1    9    0  -29 o   26.890   1.6153   98.174   11.570   98.174   11.570   98.174   11.570   26.890   1.6153   26.890   1.6153 -0.000000 0.000000 
1 1 1    9    0  -28 o  127.177   2.1882  2174.88   74.695  2174.88   74.695  2174.88   74.695  127.177   2.1882  127.177   2.1882 0.000000 0.000000 
1 1 1    9    0  -27 o   7.6684   3.3087   11.274   7.0082   11.274   7.0082   11.274   7.0082   7.6684   3.3087   7.6684   3.3087 0.000000 0.000000 
1 1 1    9    0  -26 o  138.298   1.6495  2570.15   61.254  2570.15   61.254  2570.15   61.254  138.298   1.6495  138.298   1.6495 -0.000000 0.000000 
1 1 1    9    0  -25 o   23.402   1.8020   74.859   11.172   74.859   11.172   74.859   11.172   23.402   1.8020   23.402   1.8020 -0.000000 0.000000 
1 1 1    9    0  -24 o   27.742   1.1916  103.938   8.8416  103.938   8.8416  103.938   8.8416   27.742   1.1916   27.742   1.1916 0.000000 0.000000 
1 1 1    9    0  -23 o  263.550   2.9251  9335.71  206.999  9335.71  206.999  9335.71  206.999  263.550   2.9251  263.550   2.9251 0.000000 0.000000 
1 1 1    9    0  -22 o   75.814   1.8692  773.439   38.010  773.439   38.010  773.439   38.010   75.814   1.8692   75.814   1.8692 -0.000000 0.000000 
1 1 1    9    0  -21 o  125.896   2.1663  2130.93   73.204  2130.93   73.204  2130.93   73.204  125.896   2.1663  125.896   2.1663 0.000000 0.000000 
1 1 1    9    0  -20 o  226.970   2.5405  6922.87  154.830  6922.87  154.830  6922.87  154.830  226.970   2.5405  226.970   2.5405 0.000000 0.000000 
1 1 1    9    0  -19 o   18.504   1.7410   47.196   8.4768   47.196   8.4768   47.196   8.4768   18.504   1.7410   18.504   1.7410 -0.000000 0.000000 
1 1 1    9    0  -18 o  269.752   2.9867  9778.58  216.339  9778.58  216.339  9778.58  216.339  269.752   2.9867  269.752   2.9867 0.000000 0.000000 
1 1 1    9    0  -17 o   57.442   0.9603  443.501   14.807  443.501   14.807  443.501   14.807   57.442   0.9603   57.442   0.9603 -0.000000 0.000000 
1 1 1    9    0  -16 o  331.907   3.6449 14804.08  324.848 14804.08  324.848 14804.08  324.848  331.907   3.6449  331.907   3.6449 0.000000 0.000000 
1 1 1    9    0  -15 o  181.116   2.0628  4407.37  100.318  4407.37  100.318  4407.37  100.318  181.116   2.0628  181.116   2.0628 -0.000000 0.000000 
1 1 1    9    0  -14 f  522.010   6.2232 36633.14  872.253 36633.14  872.253 36633.14  872.253  522.010   6.2232  522.010   6.2232 -0.000000 0.000000 
1 1 1    9    0  -13 o  246.541   2.7467  8166.72  181.832  8166.72  181.832  8166.72  181.832  246.541   2.7467  246.541   2.7467 0.000000 0.000000 
1 1 1    9    0  -12 o  320.366   4.3145 13794.13  371.101 13794.13  371.101 13794.13  371.101  320.366   4.3145  320.366   4.3145 -0.000000 0.000000 
1 1 1    9    0  -11 o  153.700   2.1921  3174.67   90.454  3174.67   90.454  3174.67   90.454  153.700   2.1921  153.700   2.1921 0.000000 0.000000 
1 1 1    9    0  -10 o  523.609   9.8806 36899.88  1388.46 36899.88  1388.46 36899.88  1388.46  523.609   9.8806  523.609   9.8806 -0.000000 0.000000 
1 1 1    9    0   -9 o  513.685   9.6953 35512.03  1336.60 35512.03  1336.60 35512.03  1336.60  513.685   9.6953  513.685   9.6953 0.000000 0.000000 
1 1 1    9    0   -8 o  192.038   2.6643  4955.88  137.365  4955.88  137.365  4955.88  137.365  192.038   2.6643  192.038   2.6643 0.000000 0.000000 
1 1 1    9    0   -7 o  298.938   3.6089 12008.12  289.668 12008.12  289.668 12008.12  289.668  298.938   3.6089  298.938   3.6089 -0.000000 0.000000 
1 1 1    9    0   -6 o  402.577   4.8148 21779.94  520.453 21779.94  520.453 21779.94  520.453  402.577   4.8148  402.577   4.8148 -0.000000 0.000000 
1 1 1    9    0   -5 o  299.513   3.2960 12053.24  265.078 12053.24  265.078 12053.24  265.078  299.513   3.2960  299.513   3.2960 0.000000 0.000000 
1 1 1    9    0   -4 o  239.436   2.6614  7702.56  171.105  7702.56  171.105  7702.56  171.105  239.436   2.6614  239.436   2.6614 -0.000000 0.000000 
1 1 1    9    0   -3 o   86.305   1.1349  1000.84   26.298  1000.84   26.298  1000.84   26.298   86.305   1.1349   86.305   1.1349 -0.000000 0.000000 
1 1 1    9    0   -2 o  213.075   2.6149  6100.40  149.601  6100.40  149.601  6100.40  149.601  213.075   2.6149  213.075   2.6149 -0.000000 0.000000 
1 1 1    9    0   -1 o  447.177   4.8711 26871.64  584.897 26871.64  584.897 26871.64  584.897  447.177   4.8711  447.177   4.8711 -0.000000 0.000000 
1 1 1    9    0    0 o   80.113   1.3294  862.654   28.587  862.654   28.587  862.654   28.587   80.113   1.3294   80.113   1.3294 -0.000000 0.000000 
1 1 1    9    0    1 o  624.095   6.7739 52353.90  1135.19 52353.90  1135.19 52353.90  1135.19  624.095   6.7739  624.095   6.7739 -0.000000 0.000000 
1 1 1    9    0    2 o  440.523   5.2588 26081.00  622.028 26081.00  622.028 26081.00  622.028  440.523   5.2588  440.523   5.2588 -0.000000 0.000000 
1 1 1    9    0    3 o   91.479   1.6685  1125.00   40.966  1125.00   40.966  1125.00   40.966   91.479   1.6685   91.479   1.6685 -0.000000 0.000000 
1 1 1    9    0    4 o  199.107   3.1715  5328.65  169.509  5328.65  169.509  5328.65  169.509  199.107   3.1715  199.107   3.1715 -0.000000 0.000000 
1 1 1    9    0    5 o   22.373   1.2839   67.886   7.6572   67.886   7.6572   67.886   7.6572   22.373   1.2839   22.373   1.2839 -0.000000 0.000000 
1 1 1    9    0    6 o   73.970   1.7879  736.128   35.475  736.128   35.475  736.128   35.475   73.970   1.7879   73.970   1.7879 -0.000000 0.000000 
1 1 1    9    0    7 o  708.817   8.4231 67554.28  1603.10 67554.28  1603.10 67554.28  1603.10  708.817   8.4231  708.817   8.4231 -0.000000 0.000000 
1 1 1    9    0    8 o  561.968   6.6881 42450.54  1009.17 42450.54  1009.17 42450.54  1009.17  561.968   6.6881  561.968   6.6881 -0.000000 0.000000 
1 1 1    9    0    9 o  576.268   6.2588 44632.81  968.481 44632.81  968.481 44632.81  968.481  576.268   6.2588  576.268   6.2588 0.000000 0.000000 
1 1 1    9    0   10 o  332.466   3.6487 14851.79  325.734 14851.79  325.734 14851.79  325.734  332.466   3.6487  332.466   3.6487 -0.000000 0.000000 
1 1 1    9    0   11 o   87.655   1.9958  1033.49   46.933  1033.49   46.933  1033.49   46.933   87.655   1.9958   87.655   1.9958 -0.000000 0.000000 
1 1 1    9    0   12 o  342.547   3.7552 15766.54  345.400 15766.54  345.400 15766.54  345.400  342.547   3.7552  342.547   3.7552 -0.000000 0.000000 
1 1 1    9    0   13 o   80.618   1.3505  873.580   29.224  873.580   29.224  873.580   29.224   80.618   1.3505   80.618   1.3505 0.000000 0.000000 
1 1 1    9    0   14 f   52.275   1.3715  367.758   19.227  367.758   19.227  367.758   19.227   52.275   1.3715   52.275   1.3715 -0.000000 0.000000 
1 1 1    9    0   15 o   18.803   1.2093   48.069   6.0494   48.069   6.0494   48.069   6.0494   18.803   1.2093   18.803   1.2093 -0.000000 0.000000 
1 1 1    9    0   16 o  425.059   4.6379 24284.23  529.352 24284.23  529.352 24284.23  529.352  425.059   4.6379  425.059   4.6379 0.000000 0.000000 
1 1 1    9    0   17 o   18.839   1.4824   48.544   7.3939   48.544   7.3939   48.544   7.3939   18.839   1.4824   18.839   1.4824 -0.000000 0.000000 
1 1 1    9    0   18 o  360.873   4.8461 17511.92  469.530 17511.92  469.530 17511.92  469.530  360.873   4.8461  360.873   4.8461 -0.000000 0.000000 
1 1 1    9    0   19 o  322.328   5.0241 13976.36  434.724 13976.36  434.724 13976.36  434.724  322.328   5.0241  322.328   5.0241 -0.000000 0.000000 
1 1 1    9    0   20 o   59.625   0.9912  477.862   15.864  477.862   15.864  477.862   15.864   59.625   0.9912   59.625   0.9912 -0.000000 0.000000 
1 1 1    9    0   21 o   72.195   1.1691  700.566   22.656  700.566   22.656  700.566   22.656   72.195   1.1691   72.195   1.1691 -0.000000 0.000000 
1 1 1    9    0   22 o  210.461   2.3718  5952.45  134.033  5952.45  134.033  5952.45  134.033  210.461   2.3718  210.461   2.3718 -0.000000 0.000000 
1 1 1    9    0   23 o  289.370   3.1990 11255.57  248.563 11255.57  248.563 11255.57  248.563  289.370   3.1990  289.370   3.1990 0.000000 0.000000 
1 1 1    9    0   24 o   47.366   1.6122  302.382   20.457  302.382   20.457  302.382   20.457   47.366   1.6122   47.366   1.6122 0.000000 0.000000 
1 1 1    9    0   25 o  151.655   1.9510  3090.93   79.442  3090.93   79.442  3090.93   79.442  151.655   1.9510  151.655   1.9510 -0.000000 0.000000 
1 1 1    9    0   26 o  231.958   2.8442  7232.79  177.137  7232.79  177.137  7232.79  177.137  231.958   2.8442  231.958   2.8442 -0.000000 0.000000 
1 1 1    9    0   27 o  145.032   1.8771  2826.94   73.093  2826.94   73.093  2826.94   73.093  145.032   1.8771  145.032   1.8771 -0.000000 0.000000 
1 1 1    9    0   28 o   80.243   1.3918  865.648   29.976  865.648   29.976  865.648   29.976   80.243   1.3918   80.243   1.3918 0.000000 0.000000 
1 1 1    9    0   29 o  103.403   1.6483  1437.38   45.753  1437.38   45.753  1437.38   45.753  103.403   1.6483  103.403   1.6483 0.000000 0.000000 
1 1 1    9    0   30 o   7.9962   3.5501   12.388   8.0567   12.388   8.0567   12.388   8.0567   7.9962   3.5501   7.9962   3.5501 0.000000 0.000000 
1 1 1    9    0   31 o  170.144   2.4174  3892.94  110.422  3892.94  110.422  3892.94  110.422  170.144   2.4174  170.144   2.4174 0.000000 0.000000 
1 1 1    9    0   32 o   98.491   1.8272  1304.71   48.299  1304.71   48.299  1304.71   48.299   98.491   1.8272   98.491   1.8272 0.000000 0.000000 
1 1 1    9    0   33 o  125.322   1.6898  2111.42   56.857  2111.42   56.857  2111.42   56.857  125.322   1.6898  125.322   1.6898 -0.000000 0.000000 
1 1 1    9    0   34 o   96.635   1.4230  1255.45   36.916  1255.45   36.916  1255.45   36.916   96.635   1.4230   96.635   1.4230 -0.000000 0.000000 
1 1 1    9    0   35 f   75.027   1.2603  756.894   25.381  756.894   25.381  756.894   25.381   75.027   1.2603   75.027   1.2603 -0.000000 0.000000 
1 1 1    9    0   36 o   8.3982   3.7471   13.718   8.9742   13.718   8.9742   13.718   8.9742   8.3982   3.7471   8.3982   3.7471 0.000000 0.000000 
1 1 1    9    0   37 o   49.911   1.3240  335.448   17.721  335.448   17.721  335.448   17.721   49.911   1.3240   49.911   1.3240 -0.000000 0.000000 
1 1 1    9    0   38 o  135.063   1.7800  2454.12   64.549  2454.12   64.549  2454.12   64.549  135.063   1.7800  135.063   1.7800 0.000000 0.000000 
1 1 1    9    0   39 o   35.446   1.0437  169.246   9.9169  169.246   9.9169  169.246   9.9169   35.446   1.0437   35.446   1.0437 -0.000000 0.000000 
1 1 1    9    0   40 o   63.978   1.0982  550.499   18.858  550.499   18.858  550.499   18.858   63.978   1.0982   63.978   1.0982 -0.000000 0.000000 
1 1 1    9    0   41 o   57.866   1.0915  450.461   16.951  450.461   16.951  450.461   16.951   57.866   1.0915   57.866   1.0915 0.000000 0.000000 
1 1 1    9    0   42 o   8.0828   3.3908   12.451   7.3949   12.451   7.3949   12.451   7.3949   8.0828   3.3908   8.0828   3.3908 0.000000 0.000000 
1 1 1    9    0   43 f   29.335   1.2666  116.358   9.9372  116.358   9.9372  116.358   9.9372   29.335   1.2666   29.335   1.2666 0.000000 0.000000 
1 1 1    9    0   44 o   23.777   1.5328   77.024   9.6956   77.024   9.6956   77.024   9.6956   23.777   1.5328   23.777   1.5328 -0.000000 0.000000 
1 1 1    9    0   45 o   89.576   1.8946  1083.09   45.536  1083.09   45.536  1083.09   45.536   89.576   1.8946   89.576   1.8946 0.000000 0.000000 
1 1 1    9    0   46 o   3.3692   2.3434  -6.7849   7.5302  -6.7849   7.5302  -6.7849   7.5302   3.3692   2.3434   3.3692   2.3434 0.000000 0.000000 
1 1 1    9    0   47 o   46.279   1.1617  288.670   14.419  288.670   14.419  288.670   14.419   46.279   1.1617   46.279   1.1617 0.000000 0.000000 
1 1 1    9    0   48 o   75.187   1.3033  761.703   26.303  761.703   26.303  761.703   26.303   75.187   1.3033   75.187   1.3033 0.000000 0.000000 
1 1 1    9    0   49 o   23.748   1.6909   77.221   10.660   77.221   10.660   77.221   10.660   23.748   1.6909   23.748   1.6909 0.000000 0.000000 
1 1 1    9    0   50 o   42.133   1.2069  239.600   13.633  239.600   13.633  239.600   13.633   42.133   1.2069   42.133   1.2069 0.000000 0.000000 
1 1 1    9    0   51 o   60.422   1.3225  492.737   21.440  492.737   21.440  492.737   21.440   60.422   1.3225   60.422   1.3225 0.000000 0.000000 
1 1 1    9    0   52 o   6.6238   3.8603   7.5464   11.366   7.5464   11.366   7.5464   11.366   6.6238   3.8603   6.6238   3.8603 0.000000 0.000000 
1 1 1    9    0   53 o   52.510   1.2346  372.317   17.390  372.317   17.390  372.317   17.390   52.510   1.2346   52.510   1.2346 0.000000 0.000000 
1 1 1    9    0   54 o   36.119   1.8787  178.239   18.113  178.239   18.113  178.239   18.113   36.119   1.8787   36.119   1.8787 0.000000 0.000000 
1 1 1    9    0   55 o   55.530   1.4015  417.136   20.872  417.136   20.872  417.136   20.872   55.530   1.4015   55.530   1.4015 0.000000 0.000000 
1 1 1    9    0   56 o   62.278   1.5012  525.251   25.078  525.251   25.078  525.251   25.078   62.278   1.5012   62.278   1.5012 0.000000 0.000000 
1 1 1    9    0   57 o   4.2670   2.8952  -4.7758   9.9587  -4.7758   9.9587  -4.7758   9.9587   4.2670   2.8952   4.2670   2.8952 0.000000 0.000000 
1 1 1    9    0   58 o   27.803   1.8279  106.496   13.515  106.496   13.515  106.496   13.515   27.803   1.8279   27.803   1.8279 0.000000 0.000000 
1 1 1    9    0   59 o   11.827   3.6419   24.351   10.120   24.351   10.120   24.351   10.120   11.827   3.6419   11.827   3.6419 0.000000 0.000000 
1 1 1    9    0   60 o   50.038   1.4594  341.363   19.576  341.363   19.576  341.363   19.576   50.038   1.4594   50.038   1.4594 0.000000 0.000000 
1 1 1    9    0   61 o   28.722   1.8030  114.659   13.783  114.659   13.783  114.659   13.783   28.722   1.8030   28.722   1.8030 0.000000 0.000000 
1 1 1    9    0   62 o   15.121   3.8447   39.038   13.500   39.038   13.500   39.038   13.500   15.121   3.8447   15.121   3.8447 0.000000 0.000000 
1 1 1    9    1  -62 o   16.678   2.1615   39.199   9.4549   36.065   15.527   41.045   11.920   15.323   3.7930   16.851   2.7267 -1.528271 4.671389 
1 1 1    9    1  -61 f   18.646   1.5774   47.737   7.8257   51.574   10.570   43.082   11.642   19.236   2.0788   17.393   2.5695 1.843113 3.305081 
1 1 1    9    1  -60 o   20.599   1.4322   57.870   7.8744   53.365   10.911   62.766   11.375   19.601   2.1056   21.303   2.0119 -1.702358 2.912233 
1 1 1    9    1  -59 o   14.497   1.9665   29.204   7.4596   18.446   10.289   41.126   10.831   11.307   3.2282   17.122   2.4228 -5.815237 4.036187 
1 1 1    9    1  -58 o   5.8451   2.4890   0.1780   6.8589 -14.1646   9.8493   13.682   9.5571   5.1068   2.4550   9.9677   3.1717 -4.860909 4.010808 
1 1 1    9    1  -57 o   22.751   1.3293   70.142   8.0877   70.795   11.228   69.438   11.659   22.762   1.8527   22.521   1.9466 0.2406025 2.687309 
1 1 1    9    1  -56 o   43.704   1.1257  257.444   13.214  257.840   18.682  257.048   18.692   43.657   1.5932   43.589   1.5966 0.6774139E-01 2.255544 
1 1 1    9    1  -55 o   12.751   2.2905   22.796   7.5563   19.797   10.200   26.444   11.249   11.779   3.1591   13.589   3.1443 -1.810317 4.457221 
1 1 1    9    1  -54 o   43.551   0.8948  255.262   10.467  258.893   14.823  251.652   14.783   43.813   1.2596   43.194   1.2742 0.6191978 1.791729 
1 1 1    9    1  -53 o   33.868   1.1061  154.540   10.061  152.134   14.217  156.953   14.241   33.548   1.5778   34.078   1.5559 -0.5301971 2.215881 
1 1 1    9    1  -52 o   9.2794   2.4618   12.153   6.2369   5.8016   8.7042   18.854   8.9413   7.7882   2.9799   11.509   2.8951 -3.720541 4.154716 
1 1 1    9    1  -51 o   29.607   0.9959  117.990   7.9198  107.925   10.925  129.139   11.498   28.245   1.4449   30.942   1.3835 -2.697502 2.000436 
1 1 1    9    1  -50 o   29.275   1.0290  115.347   8.0909  120.140   11.565  110.753   11.323   29.846   1.4427   28.616   1.4783 1.230457 2.065590 
1 1 1    9    1  -49 o   70.427   0.8401  666.971   15.891  658.471   22.450  675.507   22.497   69.930   1.1953   70.830   1.1825 -0.9007874 1.681381 
1 1 1    9    1  -48 o   84.347   0.9260  956.842   20.978  948.335   28.214  967.358   31.370   83.921   1.2517   84.734   1.3784 -0.8134842 1.861895 
1 1 1    9    1  -47 o   55.937   0.8896  420.732   13.366  436.303   19.211  406.125   18.607   56.927   1.2564   54.922   1.2613 2.004528 1.780337 
1 1 1    9    1  -46 o   61.020   0.8382  500.570   13.738  485.326   20.242  513.589   18.706   60.045   1.2551   61.782   1.1273 -1.737602 1.687048 
1 1 1    9    1  -45 o   43.886   0.8942  258.935   10.540  272.604   15.476  247.111   14.395   45.004   1.2803   42.850   1.2507 2.153736 1.789858 
1 1 1    9    1  -44 o   15.152   1.3650   31.152   5.4954   32.870   7.7295   29.395   7.8146   15.497   1.8966   14.617   2.0465 0.8791456 2.790259 
1 1 1    9    1  -43 f   45.059   0.7676  272.836   9.2896  276.960   13.227  268.821   13.050   45.384   1.0851   44.712   1.0867 0.6718407 1.535645 
1 1 1    9    1  -42 o   60.272   0.7751  488.125   12.548  485.935   17.685  490.345   17.807   60.120   1.0952   60.392   1.0978 -0.2720146 1.550668 
1 1 1    9    1  -41 o   52.737   0.9505  373.768   13.463  386.541   19.527  362.193   18.588   53.610   1.3561   51.896   1.3335 1.714626 1.901915 
1 1 1    9    1  -40 o   36.000   0.9664  174.159   9.3444  178.791   11.553  165.395   15.891   36.469   1.1794   35.059   1.6876 1.410839 2.058883 
1 1 1    9    1  -39 f   62.262   0.7676  520.807   12.836  543.706   18.399  499.090   17.917   63.605   1.0770   60.939   1.0947 2.666275 1.535646 
1 1 1    9    1  -38 o   98.231   1.0198  1296.65   26.906  1268.07   37.593  1326.66   38.525   97.114   1.4413   99.332   1.4440 -2.217781 2.040173 
1 1 1    9    1  -37 o   67.614   0.9290  614.232   16.872  622.426   27.279  609.156   21.471   68.039   1.4927   67.324   1.1874 0.7146835 1.907397 
1 1 1    9    1  -36 o  106.049   1.1115  1511.21   31.660  1508.55   47.442  1513.35   42.511  105.917   1.6676  106.099   1.4918 -0.1823196 2.237494 
1 1 1    9    1  -35 o   80.009   0.9518  859.996   20.454  848.989   27.498  873.628   30.601   79.483   1.2881   80.622   1.4132 -1.139557 1.912114 
1 1 1    9    1  -34 o  162.710   1.4697  3558.10   64.231  3566.64   90.748  3549.52   90.926  162.844   2.0748  162.452   2.0839 0.3923798 2.940614 
1 1 1    9    1  -33 o  127.257   1.1014  2175.60   37.646  2209.39   53.685  2142.91   52.806  128.218   1.5589  126.274   1.5570 1.943810 2.203229 
1 1 1    9    1  -32 o  164.112   1.3514  3618.61   59.570  3581.53   83.699  3656.68   84.800  163.232   1.9091  164.935   1.9142 -1.703018 2.703486 
1 1 1    9    1  -31 o  115.740   1.1852  1799.54   36.845  1790.74   49.267  1810.71   55.502  115.443   1.5889  116.077   1.7802 -0.6339722 2.386155 
1 1 1    9    1  -30 o  115.698   1.2579  1798.23   39.091  1770.17   54.912  1827.07   55.662  114.775   1.7813  116.605   1.7772 -1.830391 2.516238 
1 1 1    9    1  -29 o   15.143   1.1635   30.984   4.6960   32.213   6.6132   29.735   6.6693   15.399   1.6234   14.778   1.7120 0.6213427 2.359331 
1 1 1    9    1  -28 o  369.503   2.8643 18357.72  284.267 18292.96  401.089 18423.08  402.945  368.630   4.0510  369.938   4.0553 -1.307739 5.732008 
1 1 1    9    1  -27 o  156.911   1.4951  3307.46   63.011  3281.00   84.211  3341.12   94.982  156.264   2.0064  157.678   2.2427 -1.414719 3.009231 
1 1 1    9    1  -26 o  149.728   1.6297  3011.67   65.541  3084.92  101.540  2959.36   85.811  151.506   2.4953  148.405   2.1528 3.101273 3.295580 
1 1 1    9    1  -25 o  117.100   1.5890  1842.02   49.977  1912.79   80.266  1797.21   63.869  119.303   2.5049  115.656   2.0560 3.647545 3.240637 
1 1 1    9    1  -24 o  374.691   2.9018 18870.81  292.033 19124.54  416.912 18626.39  409.189  377.035   4.1169  372.096   4.0943 4.939117 5.806208 
1 1 1    9    1  -23 o   70.252   0.9101  662.856   17.172  664.856   27.659  661.601   21.906   70.354   1.4637   70.184   1.1621 0.1697083 1.868904 
1 1 1    9    1  -22 o  219.075   1.8149  6447.43  106.790  6425.25  157.973  6466.09  144.917  218.657   2.6899  219.363   2.4596 -0.7063446 3.644858 
1 1 1    9    1  -21 o   88.193   1.1732  1044.68   27.790  1047.15   48.327  1043.46   33.967   88.285   2.0380   88.138   1.4348 0.1470184 2.492440 
1 1 1    9    1  -20 o  369.939   2.9912 18393.30  297.212 18671.43  406.364 18073.38  435.824  372.603   4.0605  366.537   4.4269 6.065430 6.007087 
1 1 1    9    1  -19 o  419.556   3.2383 23659.10  364.926 23446.65  512.977 23876.77  519.248  417.498   4.5746  421.307   4.5886 -3.809845 6.479382 
1 1 1    9    1  -18 o  137.660   1.1524  2545.18   42.607  2522.02   59.929  2568.84   60.588  137.026   1.6283  138.292   1.6312 -1.266006 2.304810 
1 1 1    9    1  -17 o  299.602   2.3347 12058.37  187.877 12140.54  267.097 11977.89  264.321  300.572   3.3085  298.553   3.2962 2.019501 4.670244 
1 1 1    9    1  -16 o  193.734   1.5498  5041.08   80.643  4948.80  112.817  5137.49  115.317  191.941   2.1883  195.566   2.1954 -3.624863 3.099761 
1 1 1    9    1  -15 o  448.384   3.6096 27014.77  434.717 27682.38  655.377 26490.27  580.902  453.739   5.3777  443.910   4.8721 9.828949 7.256483 
1 1 1    9    1  -14 o  258.827   2.1210  8998.10  147.447  8912.40  198.479  9103.65  220.260  257.574   2.8689  260.315   3.1502 -2.741089 4.260839 
1 1 1    9    1  -13 o  299.047   2.5560 12012.42  205.300 11937.19  322.980 12063.43  265.939  298.065   4.0343  299.661   3.3041 -1.596832 5.214718 
1 1 1    9    1  -12 o  256.324   2.4633  8824.96  169.590  8963.31  242.209  8691.90  237.533  258.303   3.4912  254.363   3.4768 3.940399 4.927088 
1 1 1    9    1  -11 f  159.477   1.7108  3415.76   73.281  3463.84  113.007  3380.88   96.263  160.587   2.6200  158.656   2.2590 1.930954 3.459414 
1 1 1    9    1  -10 o  123.439   1.2933  2046.36   42.879  2035.52   60.469  2057.33   60.812  123.109   1.8287  123.767   1.8293 -0.6578293 2.586652 
1 1 1    9    1   -9 o  387.498   5.1862 20177.79  539.775 20171.09  762.774 20184.52  763.942  387.312   7.3323  387.441   7.3411 -0.1282654 10.37572 
1 1 1    9    1   -8 f  647.796   7.7089 56432.16  1341.30 56489.16  1734.31 56347.34  2115.85  647.829   9.9672  646.654   12.182 1.174377 15.74001 
1 1 1    9    1   -7 o  637.361   6.9155 54613.57  1183.85 54380.11  1446.06 55088.08  2061.56  635.826   8.4675  639.432   12.004 -3.605347 14.68956 
1 1 1    9    1   -6 o  314.063   2.6726 13248.45  225.446 13415.11  321.335 13086.89  316.380  316.007   3.7859  312.117   3.7740 3.889435 5.345650 
1 1 1    9    1   -5 o  196.495   1.6356  5185.50   86.321  5173.62  127.856  5195.45  117.016  196.263   2.4254  196.678   2.2151 -0.4157104 3.284748 
1 1 1    9    1   -4 o  174.495   1.4682  4089.29   68.813  4089.03  102.082  4089.50   93.160  174.484   2.1782  174.496   1.9877 -0.1148987E-01 2.948844 
1 1 1    9    1   -3 o  407.798   3.1446 22338.29  344.437 22040.08  528.767 22558.08  453.960  405.004   4.8609  409.766   4.1247 -4.762421 6.375017 
1 1 1    9    1   -2 o  583.756   4.4792 45785.00  702.302 45115.21  1077.19 46280.22  926.228  579.286   6.9232  586.807   5.8767 -7.521484 9.081064 
1 1 1    9    1   -1 o  158.031   1.3445  3353.99   57.069  3272.63   83.494  3425.33   78.182  156.098   1.9914  159.700   1.8227 -3.601501 2.699623 
1 1 1    9    1    0 o  244.721   2.0062  8043.46  131.869  8057.52  195.998  8031.83  178.245  244.921   2.9794  244.534   2.7138 0.3866577 4.030139 
1 1 1    9    1    1 o  1130.26   9.4839 171914.50  2879.09 176202.50  4134.44 167877.41  4011.64  1143.07   13.466  1115.77   13.386 27.30273 18.98771 
1 1 1    9    1    2 o  228.988   1.8046  7042.38  110.991  6858.53  169.014  7181.79  147.174  225.967   2.7847  231.237   2.3696 -5.269638 3.656486 
1 1 1    9    1    3 o  230.700   2.0989  7148.25  130.054  7064.53  193.444  7217.29  175.684  229.331   3.1405  231.802   2.8218 -2.471252 4.221994 
1 1 1    9    1    4 o  272.589   2.6071  9980.36  190.878 10069.92  242.790  9835.42  308.871  273.797   3.3015  270.568   4.2502 3.228516 5.381809 
1 1 1    9    1    5 o  184.091   1.9311  4551.58   95.481  4381.03  123.302  4807.02  150.902  180.603   2.5419  189.175   2.9699 -8.571854 3.909133 
1 1 1    9    1    6 o  373.392   3.1602 18727.87  316.940 18733.66  409.248 18719.21  500.979  373.422   4.0803  373.243   4.9973 0.1789246 6.451532 
1 1 1    9    1    7 o  249.581   2.1444  8366.27  143.748  8471.08  186.933  8214.62  224.861  251.131   2.7714  247.290   3.3854 3.841217 4.375123 
1 1 1    9    1    8 f   25.117   0.8403   84.726   5.6691   86.064   7.5351   82.980   8.6057   25.315   1.1082   24.823   1.2952 0.4917126 1.704627 
1 1 1    9    1    9 o  274.553   2.2395 10124.28  165.145  9984.77  221.615 10298.50  247.647  272.641   3.0263  276.885   3.3300 -4.243988 4.499714 
1 1 1    9    1   10 o   74.817   0.8591  751.754   17.265  737.577   25.633  763.525   23.357   74.108   1.2878   75.400   1.1533 -1.292625 1.728750 
1 1 1    9    1   11 f  240.718   1.8933  7782.50  122.414  7815.15  173.550  7750.17  172.691  241.211   2.6788  240.206   2.6767 1.004929 3.786859 
1 1 1    9    1   12 o  350.304   2.8328 16483.47  266.538 16628.75  363.044 16313.60  392.567  351.811   3.8420  348.448   4.1945 3.363495 5.688160 
1 1 1    9    1   13 o  181.334   1.4596  4416.20   71.089  4419.61  100.633  4412.81  100.439  181.398   2.0655  181.258   2.0631 0.1393890 2.919296 
1 1 1    9    1   14 o  412.921   3.1851 22906.22  353.253 23018.71  501.209 22795.18  497.958  413.858   4.5089  411.844   4.5016 2.013885 6.371427 
1 1 1    9    1   15 o  261.730   2.2467  9201.54  157.937  9253.41  204.553  9124.98  248.528  262.448   2.9018  260.597   3.5507 1.850647 4.585627 
1 1 1    9    1   16 o   96.967   1.2629  1262.84   32.891  1251.91   40.003  1285.64   57.785   96.545   1.5427   97.831   2.1991 -1.286217 2.686228 
1 1 1    9    1   17 o  341.271   2.9002 15648.52  265.843 15425.79  339.812 15999.88  426.802  338.778   3.7345  344.952   4.6066 -6.173096 5.930163 
1 1 1    9    1   18 o  219.386   1.8167  6465.14  107.047  6512.48  159.479  6426.33  144.415  220.158   2.6970  218.706   2.4584 1.451843 3.649333 
1 1 1    9    1   19 o  166.170   1.6607  3709.03   74.120  3601.75  103.087  3823.84  106.648  163.732   2.3441  168.704   2.3536 -4.972046 3.321809 
1 1 1    9    1   20 o  444.049   4.4870 26526.89  535.159 26319.21  995.940 26611.20  634.551  441.340   8.4017  444.598   5.3138 -3.257874 9.941106 
1 1 1    9    1   21 o  197.934   1.5844  5262.62   84.232  5238.19  118.780  5287.35  119.466  197.451   2.2397  198.375   2.2422 -0.9243011 3.169165 
1 1 1    9    1   22 o  225.728   1.7880  6844.90  108.404  6860.88  153.503  6829.00  153.111  225.957   2.5293  225.431   2.5287 0.5255585 3.576556 
1 1 1    9    1   23 o  219.737   1.7444  6486.35  102.954  6438.60  144.894  6535.04  146.314  218.894   2.4645  220.527   2.4702 -1.632935 3.489350 
1 1 1    9    1   24 o   86.365   0.8381  1001.76   19.442  1007.37   27.609  996.244   27.383   86.603   1.1870   86.123   1.1838 0.4795685 1.676363 
1 1 1    9    1   25 o  292.577   2.5023 11503.84  196.642 11406.65  276.568 11603.21  279.645  291.238   3.5356  293.736   3.5445 -2.497589 5.006411 
1 1 1    9    1   26 o   62.446   1.2413  523.776   20.820  549.032   29.922  500.073   28.988   63.928   1.7427   61.010   1.7690 2.917210 2.483179 
1 1 1    9    1   27 o   89.541   0.8587  1076.83   20.653  1065.26   29.056  1088.65   29.362   89.054   1.2147   90.027   1.2143 -0.9724197 1.717571 
1 1 1    9    1   28 o  202.203   1.6203  5492.94   87.998  5505.32  124.587  5480.60  124.311  202.392   2.2918  201.937   2.2919 0.4548187 3.241216 
1 1 1    9    1   29 o  151.613   1.6461  3088.37   67.031  3026.56  101.170  3136.73   89.492  150.044   2.5104  152.770   2.1810 -2.725769 3.325493 
1 1 1    9    1   30 o   83.400   0.8729  934.234   19.554  923.882   28.757  943.136   26.667   82.929   1.2911   83.791   1.1849 -0.8617401 1.752383 
1 1 1    9    1   31 o  113.832   1.0596  1740.58   32.395  1712.71   43.374  1775.73   48.718  112.906   1.4303  114.958   1.5778 -2.052879 2.129599 
1 1 1    9    1   32 o   81.042   0.9087  882.210   19.780  889.155   25.603  871.928   31.154   81.355   1.1717   80.556   1.4399 0.7990952 1.856375 
1 1 1    9    1   33 o   89.613   0.8742  1078.70   21.042  1080.15   29.768  1077.25   29.747   89.663   1.2361   89.542   1.2369 0.1204910 1.748632 
1 1 1    9    1   34 o   84.984   0.9923  970.250   22.649  977.624   30.338  960.965   34.043   85.295   1.3242   84.558   1.4989 0.7371292 2.000098 
1 1 1    9    1   35 o   46.108   0.8154  285.585   10.098  285.346   12.876  285.966   16.275   46.085   1.0402   46.129   1.3135 -0.4403687E-01 1.675559 
1 1 1    9    1   36 o  123.792   1.0832  2059.13   36.015  2105.76   51.512  2014.54   50.372  125.151   1.5324  122.410   1.5321 2.740875 2.166933 
1 1 1    9    1   37 o   73.480   0.8838  725.393   17.442  743.744   28.035  713.805   22.279   74.380   1.4033   72.880   1.1381 1.499527 1.806818 
1 1 1    9    1   38 o  100.884   1.0755  1367.73   29.144  1393.18   39.551  1337.51   43.110  101.791   1.4466   99.722   1.6095 2.068695 2.164071 
1 1 1    9    1   39 f   44.307   0.7609  263.729   9.0554  268.468   12.941  259.182   12.676   44.695   1.0780   43.915   1.0746 0.7796974 1.522151 
1 1 1    9    1   40 o   36.824   0.7547  182.178   7.4647  177.485   11.029  186.145   10.140   36.337   1.1300   37.217   1.0144 -0.8791809 1.518559 
1 1 1    9    1   41 o   93.450   0.8704  1173.50   21.847  1194.11   32.489  1156.48   29.517   94.234   1.2836   92.746   1.1849 1.487556 1.746904 
1 1 1    9    1   42 o   16.548   1.2753   37.047   5.6244   31.185   8.0310   42.691   7.8794   15.075   2.0355   17.728   1.6746 -2.653435 2.635829 
1 1 1    9    1   43 f   13.730   1.5262   25.692   5.5330   34.229   8.0599   18.082   7.6093   15.816   1.9378   11.342   2.5588 4.474805 3.209747 
1 1 1    9    1   44 o   45.781   0.8907  281.739   10.953  287.086   15.478  276.377   15.500   46.191   1.2476   45.320   1.2734 0.8714867 1.782680 
1 1 1    9    1   45 o   18.463   1.4605   46.200   7.1838   65.855   10.058   25.733   10.264   22.034   1.7130   13.510   2.9141 8.523897 3.380269 
1 1 1    9    1   46 o   48.752   0.9079  319.582   11.889  306.135   16.665  333.518   16.966   47.685   1.3012   49.775   1.2690 -2.090019 1.817560 
1 1 1    9    1   47 o   62.814   0.8435  530.472   14.231  516.647   20.641  542.997   19.648   61.949   1.2405   63.520   1.1516 -1.570858 1.692683 
1 1 1    9    1   48 o   24.545   1.1365   81.089   7.4926   75.146   10.203   88.046   11.039   23.547   1.6231   25.497   1.6203 -1.950180 2.293461 
1 1 1    9    1   49 o   38.327   0.8895  197.561   9.1565  196.065   12.531  199.275   13.412   38.156   1.2227   38.461   1.2984 -0.3042297 1.783472 
1 1 1    9    1   50 o   67.396   0.8803  610.969   15.935  607.695   23.626  613.701   21.584   67.151   1.3099   67.502   1.1905 -0.3515778 1.770065 
1 1 1    9    1   51 o   32.180   1.0793  139.444   9.3289  144.115   12.784  134.123   13.644   32.679   1.4565   31.467   1.6198 1.212151 2.178308 
1 1 1    9    1   52 o   8.1879   2.6328   8.9417   6.5722   13.563   9.2294   4.1874   9.3610   9.9561   3.1102   7.6126   3.0377 2.343496 4.347509 
1 1 1    9    1   53 o   64.510   0.9079  560.094   15.732  567.637   23.781  554.224   20.977   64.855   1.3652   64.116   1.2181 0.7390671 1.829646 
1 1 1    9    1   54 o   34.319   1.0604  158.648   9.7744  150.781   14.802  164.731   13.016   33.385   1.6507   34.933   1.3872 -1.547581 2.156222 
1 1 1    9    1   55 o   41.610   0.9986  233.147   11.161  233.006   14.873  233.329   16.885   41.553   1.3326   41.553   1.5129 0.2288818E-03 2.016116 
1 1 1    9    1   56 o   46.232   1.0388  287.935   12.900  301.564   17.139  270.127   19.591   47.263   1.3502   44.677   1.6326 2.585320 2.118561 
1 1 1    9    1   57 o   44.976   1.0275  272.584   12.413  292.712   19.621  259.155   16.027   46.503   1.5709   43.799   1.3624 2.704041 2.079408 
1 1 1    9    1   58 o   10.630   2.5825   16.154   7.3005   23.590   10.163   8.2253   10.494   12.795   3.0079   8.7493   3.2895 4.045663 4.457387 
1 1 1    9    1   59 o   41.066   0.9952  227.479   10.977  228.473   15.756  226.542   15.302   41.061   1.4286   40.896   1.3931 0.1648407 1.995435 
1 1 1    9    1   60 o   13.146   2.5181   24.716   8.5677   32.393   11.860   16.339   12.390   14.922   3.0619   10.846   3.6227 4.076613 4.743293 
1 1 1    9    1   61 f   33.690   1.1330  153.645   10.252  140.667   14.285  167.431   14.723   32.047   1.6653   35.043   1.5642 -2.995609 2.284728 
1 1 1    9    1   62 o   26.112   1.5736   93.542   10.985   92.654   17.100   94.165   14.333   25.572   2.5226   26.001   2.0694 -0.4293461 3.262782 
1 1 1    9    2  -62 o   8.9333   3.1081   10.715   9.1388   8.4624   13.056   12.879   12.796   9.1305   3.6051   9.9620   3.6533 -0.8315916 5.132567 
1 1 1    9    2  -61 o   8.2697   2.9852   8.4650   8.4956   8.5215   13.006   8.4229   11.220   9.1959   3.6086   8.8132   3.3806 0.3827085 4.944705 
1 1 1    9    2  -60 o   20.923   1.3917   59.679   7.7763   69.118   11.080   50.517   10.916   22.400   1.8585   19.033   2.1744 3.367037 2.860427 
1 1 1    9    2  -59 o   18.108   1.6151   44.912   7.7727   42.729   10.913   47.159   11.073   17.457   2.3904   18.383   2.2924 -0.9261990 3.311968 
1 1 1    9    2  -58 o   20.151   1.4631   55.272   7.8646   66.583   11.547   45.484   10.741   22.015   1.9738   18.092   2.2597 3.923151 3.000355 
1 1 1    9    2  -57 o   53.883   0.9888  391.191   14.311  393.820   20.949  388.890   19.595   53.964   1.4453   53.647   1.3599 0.3174858 1.984529 
1 1 1    9    2  -56 o   31.110   1.1848  130.520   9.8999  130.220   13.955  130.823   14.047   30.964   1.6843   31.034   1.6916 -0.7032394E-01 2.387090 
1 1 1    9    2  -55 o   21.600   1.3458   63.216   7.7692   62.011   10.908   64.457   11.069   21.294   1.9281   21.715   1.9175 -0.4213333 2.719251 
1 1 1    9    2  -54 o   59.596   0.9691  478.198   15.512  475.115   21.901  481.302   21.973   59.327   1.3744   59.713   1.3700 -0.3860207 1.940611 
1 1 1    9    2  -53 o   21.159   1.2926   60.618   7.3110   50.487   10.333   70.773   10.345   19.179   2.0371   22.806   1.7011 -3.627762 2.654009 
1 1 1    9    2  -52 o   12.688   1.9309   22.308   6.3726   19.271   9.1726   25.143   8.8599   11.629   2.9362   13.357   2.5629 -1.727407 3.897374 
1 1 1    9    2  -51 o   28.036   1.0348  105.829   7.7920  100.407   10.663  112.042   11.415   27.236   1.4630   28.772   1.4821 -1.536133 2.082550 
1 1 1    9    2  -50 o   18.837   1.3247   48.066   6.6597   57.252   9.6855   39.828   9.1718   20.503   1.7763   17.026   2.0466 3.476858 2.709976 
1 1 1    9    2  -49 o   43.973   0.8745  260.060   10.328  238.176   14.369  283.452   14.856   42.048   1.2723   45.878   1.2056 -3.829983 1.752772 
1 1 1    9    2  -48 o   44.359   0.8641  264.608   10.295  281.101   13.954  244.911   15.250   45.699   1.1369   42.638   1.3316 3.061146 1.750905 
1 1 1    9    2  -47 o   60.572   0.8432  493.299   13.718  500.033   20.710  488.034   18.312   60.939   1.2653   60.220   1.1322 0.7198257 1.697870 
1 1 1    9    2  -46 o   9.7354   2.5733   13.317   6.8307   29.942   10.063  -0.8878   9.3018   14.632   2.6585   6.6410   2.8644 7.991121 3.908000 
1 1 1    9    2  -45 o   43.535   0.8982  254.824   10.503  264.586   13.533  240.038   16.655   44.346   1.1362   42.213   1.4689 2.133354 1.857067 
1 1 1    9    2  -44 o   72.342   0.8193  703.431   15.920  713.177   22.607  693.844   22.422   72.811   1.1560   71.816   1.1624 0.9943466 1.639375 
1 1 1    9    2  -43 o   75.815   0.8267  772.510   16.833  771.958   23.746  773.067   23.866   75.758   1.1670   75.812   1.1721 -0.5387878E-01 1.653963 
1 1 1    9    2  -42 o   37.665   0.8709  190.663   8.8110  194.387   13.567  187.947   11.587   38.013   1.3288   37.386   1.1539 0.6269836 1.759907 
1 1 1    9    2  -41 o   36.328   1.0334  177.393   10.083  167.351   12.485  196.233   17.100   35.275   1.3177   38.181   1.6675 -2.906021 2.125318 
1 1 1    9    2  -40 o  107.526   1.1334  1554.19   32.734  1564.28   40.430  1534.99   55.774  107.848   1.3957  106.761   1.9450 1.087227 2.394003 
1 1 1    9    2  -39 o   40.279   0.8116  217.979   8.7802  210.898   12.407  225.083   12.427   39.610   1.1662   40.922   1.1306 -1.311516 1.624301 
1 1 1    9    2  -38 f   15.680   1.2386   33.256   5.1739   39.852   7.3442   26.757   7.2900   17.137   1.6146   13.957   2.0020 3.179997 2.571923 
1 1 1    9    2  -37 o   96.596   0.9184  1253.68   23.829  1247.50   33.573  1259.95   33.826   96.336   1.2975   96.815   1.3008 -0.4791336 1.837302 
1 1 1    9    2  -36 o   48.567   0.7971  316.875   10.397  323.853   16.175  311.961   13.573   49.089   1.2268   48.184   1.0488 0.9048386 1.613982 
1 1 1    9    2  -35 o   71.345   1.0215  683.887   19.576  656.081   29.569  705.584   26.119   69.857   1.5759   72.456   1.3421 -2.598297 2.069963 
1 1 1    9    2  -34 o  135.055   1.3299  2451.18   48.241  2523.30   65.935  2368.09   70.767  136.990   1.7920  132.692   1.9856 4.298294 2.674659 
1 1 1    9    2  -33 o   43.399   0.8729  253.009   10.175  253.924   14.886  252.207   13.940   43.472   1.2749   43.326   1.1979 0.1458549 1.749415 
1 1 1    9    2  -32 o  184.419   1.4961  4570.25   74.106  4597.35  105.173  4543.54  104.434  184.909   2.1177  183.824   2.1152 1.085083 2.993070 
1 1 1    9    2  -31 o   56.454   0.9127  428.098   13.839  419.208   19.599  436.939   19.545   55.860   1.3063   57.029   1.2760 -1.169582 1.826064 
1 1 1    9    2  -30 o   49.537   0.7923  329.594   10.542  339.273   15.005  320.159   14.813   50.256   1.1116   48.820   1.1297 1.436413 1.584896 
1 1 1    9    2  -29 o  200.999   1.6120  5428.15   87.025  5424.69  123.024  5431.62  123.120  200.889   2.2800  201.017   2.2804 -0.1283569 3.224694 
1 1 1    9    2  -28 o  201.200   1.6124  5438.68   87.133  5471.78  123.660  5406.04  122.794  201.770   2.2818  200.554   2.2796 1.215591 3.225389 
1 1 1    9    2  -27 o  248.428   2.1446  8293.62  143.100  8263.62  184.428  8339.00  226.842  247.926   2.7696  248.987   3.3920 -1.061707 4.379047 
1 1 1    9    2  -26 o  190.432   2.0097  4872.63  102.795  4958.69  158.575  4810.26  135.001  192.041   3.0743  189.173   2.6570 2.867554 4.063367 
1 1 1    9    2  -25 o  109.058   1.1252  1597.51   32.958  1659.94   50.117  1549.94   43.749  111.159   1.6786  107.416   1.5164 3.743011 2.262114 
1 1 1    9    2  -24 o   77.798   0.8636  812.897   18.045  831.815   25.502  793.927   25.538   78.695   1.2065   76.882   1.2367 1.813431 1.727758 
1 1 1    9    2  -23 o  205.173   1.6375  5654.88   90.241  5744.42  128.882  5568.77  126.395  206.762   2.3208  203.577   2.3116 3.185226 3.275564 
1 1 1    9    2  -22 o  146.699   1.2185  2890.56   48.012  2971.04   68.931  2814.72   66.912  148.717   1.7257  144.751   1.7210 3.965149 2.437204 
1 1 1    9    2  -21 o  147.376   1.4116  2917.42   55.876  3027.05   98.748  2865.79   67.769  150.090   2.4495  146.059   1.7275 4.031281 2.997402 
1 1 1    9    2  -20 o  293.036   2.7987 11540.88  220.276 11156.73  304.650 11961.74  318.871  288.009   3.9383  298.213   3.9810 -10.20471 5.599863 
1 1 1    9    2  -19 o   62.016   0.7599  516.528   12.658  522.223   16.494  508.370   19.742   62.356   0.9848   61.522   1.1947 0.8338585 1.548281 
1 1 1    9    2  -18 o  130.242   1.2060  2278.32   42.187  2215.28   58.734  2345.51   60.633  128.421   1.7028  132.141   1.7084 -3.720856 2.412048 
1 1 1    9    2  -17 o  272.224   2.1293  9955.13  155.691 10040.87  221.421  9871.29  218.962  273.352   3.0158  271.034   3.0078 2.317596 4.259360 
1 1 1    9    2  -16 o   44.076   0.7759  260.905   9.1855  258.930   11.561  264.288   15.126   43.908   0.9803   44.360   1.2695 -0.4511414 1.603991 
1 1 1    9    2  -15 o  230.560   1.9942  7140.25  123.495  7428.38  179.096  6879.07  170.516  235.142   2.8357  226.282   2.8056 8.860245 3.989066 
1 1 1    9    2  -14 o  177.106   1.4945  4212.81   71.092  4239.03   96.614  4181.85  104.983  177.650   2.0248  176.444   2.2152 1.205383 3.001193 
1 1 1    9    2  -13 o  265.578   2.4021  9474.08  171.344  9364.50  255.142  9564.11  231.250  264.003   3.5982  266.814   3.2269 -2.811249 4.833163 
1 1 1    9    2  -12 o  171.721   1.6083  3960.43   74.181  3913.27   98.660  4021.77  112.516  170.690   2.1520  173.036   2.4209 -2.346558 3.239139 
1 1 1    9    2  -11 o  345.357   2.9339 16021.58  272.151 16116.06  386.128 15928.31  383.643  346.331   4.1510  344.308   4.1485 2.023132 5.868582 
1 1 1    9    2  -10 o  404.386   3.4205 21967.96  371.522 22488.29  533.674 21478.64  517.521  409.083   4.8570  399.796   4.8194 9.286713 6.842364 
1 1 1    9    2   -9 o  231.249   2.2348  7182.54  138.804  6968.50  192.728  7413.20  200.076  227.764   3.1504  234.918   3.1709 -7.154648 4.469891 
1 1 1    9    2   -8 o  121.273   1.4618  1975.20   47.614  1947.39   82.106  1989.29   58.445  120.410   2.5388  121.703   1.7880 -1.293053 3.105176 
1 1 1    9    2   -7 o  357.634   3.9139 17182.89  375.956 17426.67  536.889 16948.34  526.623  360.097   5.5510  355.122   5.5212 4.975006 7.829248 
1 1 1    9    2   -6 o  219.833   3.0136  6491.43  177.939  6352.02  247.929  6639.53  255.531  217.438   4.2452  222.303   4.2796 -4.865677 6.028017 
1 1 1    9    2   -5 o  680.677   5.7157 62268.31  1044.97 61520.93  1338.30 63435.72  1672.60  676.413   7.3663  686.640   9.0692 -10.22681 11.68388 
1 1 1    9    2   -4 o  482.404   3.7109 31262.22  480.823 30780.32  672.891 31764.99  687.310  478.598   5.2346  486.191   5.2632 -7.593262 7.423116 
1 1 1    9    2   -3 o  355.713   2.7522 16995.55  262.944 17236.65  375.235 16762.95  368.573  358.196   3.9002  353.240   3.8847 4.955841 5.504819 
1 1 1    9    2   -2 o  452.449   3.4836 27499.21  423.335 27868.23  604.368 27143.75  593.163  455.411   4.9409  449.454   4.9136 5.957153 6.968180 
1 1 1    9    2   -1 o  345.547   2.6750 16037.92  248.267 16128.76  352.423 15948.43  349.796  346.497   3.7868  344.554   3.7798 1.942322 5.350385 
1 1 1    9    2    0 o  554.492   4.2569 41307.67  633.990 41031.69  892.553 41588.71  900.697  552.523   6.0144  556.260   6.0285 -3.736694 8.515602 
1 1 1    9    2    1 o  314.222   2.4399 13261.52  205.921 13390.94  293.050 13135.28  289.416  315.730   3.4557  312.702   3.4459 3.028229 4.880151 
1 1 1    9    2    2 o  226.338   1.7848  6880.29  108.499  6994.36  155.038  6770.79  151.894  228.198   2.5295  224.521   2.5188 3.676590 3.569674 
1 1 1    9    2    3 o  368.160   3.1183 18206.65  308.355 18140.06  396.759 18308.23  490.016  367.459   4.0200  369.124   4.9425 -1.664764 6.370924 
1 1 1    9    2    4 o  112.629   1.2756  1703.64   38.588  1746.95   51.762  1649.46   57.894  114.050   1.6898  110.821   1.9450 3.229195 2.576506 
1 1 1    9    2    5 o  447.948   3.6022 26955.43  433.397 26908.69  585.833 27011.93  644.141  447.505   4.8740  448.337   5.3491 -0.8327332 7.236643 
1 1 1    9    2    6 o  131.906   1.3533  2336.75   47.946  2365.47   61.108  2290.75   77.333  132.713   1.7143  130.597   2.2047 2.115967 2.792747 
1 1 1    9    2    7 o  354.082   3.0025 16840.72  285.547 16895.87  369.015 16758.42  450.803  354.636   3.8741  353.159   4.7525 1.476898 6.131481 
1 1 1    9    2    8 o  265.153   2.1675  9442.90  154.366  9404.01  208.284  9490.29  229.930  264.595   2.9308  265.800   3.2207 -1.205170 4.354570 
1 1 1    9    2    9 o   44.260   1.2073  263.091   14.352  266.880   17.498  255.300   25.091   44.577   1.4614   43.598   2.1427 0.9791756 2.593618 
1 1 1    9    2   10 o  200.587   1.8445  5403.88   99.376  5327.56  147.534  5467.27  134.454  199.154   2.7581  201.752   2.4812 -2.598175 3.709922 
1 1 1    9    2   11 o  671.869   5.3839 60672.49  971.566 58501.48  1404.88 62662.59  1345.07  659.419   7.9321  682.557   7.3369 -23.13751 10.80501 
1 1 1    9    2   12 o  304.078   2.4725 12419.86  201.934 12432.35  299.338 12409.43  273.557  304.195   3.6637  303.925   3.3511 0.2700195 4.965122 
1 1 1    9    2   13 o  150.717   1.7525  3050.95   70.945  3155.15   88.590  2864.64  118.459  153.265   2.1520  146.027   3.0203 7.238342 3.708539 
1 1 1    9    2   14 o  491.382   4.3684 32452.78  576.541 32569.07  865.560 32360.03  772.977  492.013   6.5498  490.519   5.8670 1.493408 8.793296 
1 1 1    9    2   15 o  419.923   3.3840 23694.40  381.669 23624.97  515.503 23778.63  567.803  419.209   4.5784  420.525   5.0271 -1.316559 6.799452 
1 1 1    9    2   16 o  284.588   2.2220 10879.73  169.847 11192.35  244.697 10589.08  235.941  288.606   3.1567  280.721   3.1292 7.884430 4.444851 
1 1 1    9    2   17 o  281.617   2.1998 10654.22  166.396 10708.76  236.037 10600.34  234.609  282.291   3.1131  280.859   3.1100 1.432404 4.400407 
1 1 1    9    2   18 o   59.151   0.7968  469.904   12.660  457.187   16.923  486.062   19.076   58.344   1.0799   60.158   1.1806 -1.813725 1.600018 
1 1 1    9    2   19 o  232.532   2.1206  7264.33  132.447  7305.58  199.321  7231.72  177.234  233.135   3.1831  231.973   2.8446 1.161102 4.268942 
1 1 1    9    2   20 o  270.828   2.7782  9857.79  202.090  9871.27  267.607  9839.90  308.289  270.935   3.6774  270.445   4.2441 0.4906616 5.615665 
1 1 1    9    2   21 o  217.493   1.9962  6355.04  116.611  6386.77  202.849  6339.38  142.512  217.950   3.4652  217.204   2.4428 0.7466736 4.239668 
1 1 1    9    2   22 o  144.411   1.3194  2801.17   51.177  2905.72   82.484  2735.74   65.256  147.062   2.0882  142.706   1.7025 4.356064 2.694273 
1 1 1    9    2   23 o  320.676   2.4950 13818.92  214.897 13712.67  302.326 13927.42  305.519  319.339   3.5248  321.828   3.5345 -2.489807 4.991635 
1 1 1    9    2   24 o  135.814   1.3270  2477.60   48.406  2411.21   71.468  2533.88   65.795  133.966   1.9862  137.337   1.7837 -3.370987 2.669561 
1 1 1    9    2   25 o   21.574   0.9368   62.514   5.4282   65.181   7.7987   60.007   7.5602   21.988   1.3267   21.093   1.3414 0.8949089 1.886660 
1 1 1    9    2   26 o  193.391   1.5553  5024.18   80.789  5085.89  115.134  4964.32  113.391  194.545   2.2034  192.206   2.1964 2.338852 3.111158 
1 1 1    9    2   27 o  187.303   1.6573  4713.24   83.375  4807.92  133.361  4652.49  106.826  189.120   2.6254  186.069   2.1375 3.051926 3.385535 
1 1 1    9    2   28 o   23.483   1.2579   74.287   7.9052   71.896   12.355   75.944   10.286   23.042   2.0167   23.720   1.6243 -0.6773224 2.589482 
1 1 1    9    2   29 o   35.080   0.9727  165.291   9.1647  156.188   12.852  174.708   13.072   34.097   1.4033   36.062   1.3496 -1.965385 1.946999 
1 1 1    9    2   30 o  185.208   1.5003  4608.73   74.631  4614.57  105.635  4602.91  105.454  185.283   2.1227  185.049   2.1217 0.2341919 3.001224 
1 1 1    9    2   31 o   39.348   0.7895  207.951   8.3439  218.695   12.628  199.627   11.116   40.348   1.1653   38.550   1.0736 1.798107 1.584437 
1 1 1    9    2   32 o  244.793   2.0222  8056.44  132.957  8203.40  181.976  7888.16  194.730  246.900   2.7441  242.062   2.9951 4.837784 4.062123 
1 1 1    9    2   33 o  193.006   2.0435  5009.43  105.937  4993.03  124.967  5051.33  199.713  192.639   2.4152  193.483   3.8430 -0.8440247 4.538957 
1 1 1    9    2   34 o  140.523   1.2458  2653.45   47.022  2707.49   64.356  2591.56   68.871  141.912   1.6884  138.826   1.8470 3.086090 2.502446 
1 1 1    9    2   35 o   34.678   0.9670  161.562   9.0068  170.599   13.436  154.187   12.138   35.626   1.4041   33.871   1.3342 1.755535 1.936926 
1 1 1    9    2   36 o  107.035   1.0230  1539.37   29.411  1586.09   44.303  1502.55   39.326  108.614   1.5186  105.725   1.3849 2.888794 2.055278 
1 1 1    9    2   37 o   33.036   0.7946  146.615   7.0502  143.949   9.4439  149.971   10.596   32.729   1.0743   33.404   1.1810 -0.6753464 1.596544 
1 1 1    9    2   38 f   27.114   0.9611   98.788   6.9996   95.385   10.066  101.975   9.7402   26.597   1.4141   27.542   1.3167 -0.9444008 1.932186 
1 1 1    9    2   39 o   41.850   0.8056  235.313   9.0554  229.310   13.512  240.208   12.200   41.302   1.2181   42.276   1.0745 -0.9747047 1.624233 
1 1 1    9    2   40 o   18.189   1.1629   44.658   5.6519   37.534   7.9626   51.892   8.0237   16.599   1.8155   19.580   1.5381 -2.980410 2.379494 
1 1 1    9    2   41 o  104.231   0.9735  1460.17   27.255  1475.89   38.820  1444.89   38.275  104.748   1.3798  103.643   1.3749 1.105225 1.947883 
1 1 1    9    2   42 o   71.856   0.8448  693.889   16.304  695.284   27.093  693.097   20.413   71.884   1.4032   71.801   1.0585 0.8337402E-01 1.757708 
1 1 1    9    2   43 o   33.414   0.8904  150.077   7.9912  153.695   10.649  145.413   12.090   33.803   1.1729   32.871   1.3694 0.9327316 1.803045 
1 1 1    9    2   44 o   95.117   1.0205  1216.64   26.071  1215.63   36.823  1217.65   36.917   95.014   1.4429   95.093   1.4454 -0.7852936E-01 2.042330 
1 1 1    9    2   45 o   12.676   1.9181   22.173   6.3262   8.9750   8.8779   35.788   9.0168   8.6738   3.0603   16.135   2.1330 -7.460940 3.730279 
1 1 1    9    2   46 o   44.064   0.8800  261.063   10.415  264.673   15.271  257.923   14.241   44.338   1.2823   43.775   1.2112 0.5630913 1.763898 
1 1 1    9    2   47 o   17.240   1.6814   40.476   7.6868   44.987   10.452   35.162   11.344   18.102   2.1946   15.860   2.7635 2.241487 3.528877 
1 1 1    9    2   48 o   36.063   0.8865  174.896   8.5864  180.641   12.247  169.342   12.042   36.625   1.2449   35.460   1.2643 1.165546 1.774377 
1 1 1    9    2   49 o   20.251   1.2450   55.445   6.7390   44.797   9.4981   66.239   9.5631   18.089   1.9877   22.094   1.6229 -4.005335 2.566076 
1 1 1    9    2   50 o   75.311   0.9522  763.172   19.261  762.882   24.924  763.603   30.347   75.248   1.2332   75.225   1.5020 0.2320099E-01 1.943380 
1 1 1    9    2   51 o   20.803   1.3176   58.589   7.3239   63.068   10.796   54.770   9.9684   21.499   1.8888   20.026   1.8751 1.473314 2.661466 
1 1 1    9    2   52 o   63.126   0.8517  536.150   14.441  540.503   20.455  531.825   20.390   63.324   1.2027   62.812   1.2086 0.5115471 1.705023 
1 1 1    9    2   53 o   11.255   2.9388   18.040   8.9802   7.3213   13.874   25.769   11.781   9.4029   3.7151   13.400   3.2961 -3.997065 4.966489 
1 1 1    9    2   54 o   25.578   1.2658   88.247   8.6960   71.372   11.343  112.302   13.543   22.871   1.8627   28.743   1.7628 -5.871729 2.564555 
1 1 1    9    2   55 o   13.447   2.1309   25.170   7.4394   30.970   10.623   19.587   10.422   14.801   2.7741   11.721   3.2142 3.080289 4.245803 
1 1 1    9    2   56 o   98.151   1.0320  1297.88   27.207  1313.43   40.189  1284.73   36.966   98.556   1.5182   97.518   1.4113 1.037560 2.072848 
1 1 1    9    2   57 o   7.5144   2.8453   5.7265   7.8838   14.587   10.409  -6.1940   12.074   10.322   3.3128   6.7902   3.0756 3.531832 4.520355 
1 1 1    9    2   58 o   33.252   1.1270  149.229   10.066  158.414   15.143  141.958   13.473   34.164   1.6503   32.361   1.5501 1.803024 2.264121 
1 1 1    9    2   59 o   19.109   1.8012   50.201   9.1352   43.907   13.013   56.316   12.827   17.548   2.8595   20.069   2.4291 -2.520510 3.751982 
1 1 1    9    2   60 o   30.170   1.2741  123.340   10.324  136.927   15.301  111.983   13.988   31.595   1.8105   28.555   1.8335 3.040058 2.576801 
1 1 1    9    2   61 o   25.104   1.4823   86.138   9.9502   82.860   13.666   89.838   14.517   24.405   2.1053   25.401   2.1479 -0.9959316 3.007601 
1 1 1    9    2   62 o   6.6939   2.8657   0.6236   9.1800  -2.8740   12.338   4.9619   13.740   7.1474   3.1830   8.6709   3.5962 -1.523487 4.802540 
1 1 1    9    3  -62 o   16.947   3.5245   43.634   15.520   35.450   25.108   48.694   19.744   14.777   5.1512   17.511   4.2424 -2.734472 6.673332 
1 1 1    9    3  -61 o   26.914   1.2759   98.375   9.2230  101.126   13.025   95.609   13.061   27.083   1.8009   26.308   1.8604 0.7752209 2.589272 
1 1 1    9    3  -60 o   16.958   1.9650   39.984   8.7841   43.858   11.931   35.399   12.980   17.555   2.6097   15.519   3.2196 2.036655 4.144454 
1 1 1    9    3  -59 o   34.551   1.0180  161.149   9.4476  174.984   13.515  147.928   13.212   35.922   1.4008   33.007   1.4902 2.914650 2.045275 
1 1 1    9    3  -58 o   15.994   1.8618   35.300   7.8485   38.106   11.434   32.801   10.793   16.405   2.6881   15.177   2.7489 1.227895 3.844765 
1 1 1    9    3  -57 o   31.950   1.0776  137.654   9.2473  145.081   12.922  129.859   13.238   32.744   1.4694   30.916   1.5997 1.827099 2.172126 
1 1 1    9    3  -56 f   27.717   1.3681  103.774   10.185  109.403   14.581   98.411   14.234   28.315   1.9288   26.834   1.9890 1.480680 2.770618 
1 1 1    9    3  -55 o   38.824   0.9942  202.994   10.367  193.085   15.542  210.935   13.914   37.791   1.5312   39.535   1.3104 -1.743568 2.015368 
1 1 1    9    3  -54 o   12.256   2.4337   21.197   7.7291   18.679   10.998   23.655   10.865   11.495   3.3542   12.846   3.1686 -1.350947 4.614174 
1 1 1    9    3  -53 o   9.1583   2.5226   11.815   6.4028   10.500   9.1211   13.093   8.9902   9.0766   3.1079   9.7837   3.0718 -0.7070980 4.369763 
1 1 1    9    3  -52 f   6.0129   2.4500   1.9324   6.2317  -6.3364   8.7906   10.285   8.8353   5.5778   2.5634   8.9726   3.0589 -3.394763 3.990914 
1 1 1    9    3  -51 o   17.650   1.4421   42.326   6.7767   48.688   9.5035   35.744   9.6660   18.864   1.9017   16.052   2.3084 2.811987 2.990834 
1 1 1    9    3  -50 o   33.298   0.9281  149.185   8.3002  149.702   11.862  148.689   11.618   33.322   1.3254   33.211   1.3025 0.1107025 1.858223 
1 1 1    9    3  -49 o   16.514   1.4615   37.065   6.4155   39.849   9.2035   34.432   8.9478   17.034   2.0530   15.795   2.1662 1.238954 2.984523 
1 1 1    9    3  -48 o   34.460   0.9907  159.762   9.1699  145.409   12.106  179.079   14.045   32.848   1.3722   36.448   1.4347 -3.599388 1.985243 
1 1 1    9    3  -47 o   16.074   1.5345   35.152   6.5445   35.663   9.9924   34.768   8.6606   16.048   2.3913   15.900   2.0776 0.1476212 3.167789 
1 1 1    9    3  -46 o   54.269   0.8678  395.995   12.649  412.200   18.164  380.739   17.625   55.336   1.2221   53.181   1.2339 2.154903 1.736693 
1 1 1    9    3  -45 o   60.322   1.0719  489.508   17.367  464.992   22.276  527.503   27.732   58.755   1.4116   62.546   1.6508 -3.790810 2.172015 
1 1 1    9    3  -44 o   32.500   0.8063  141.972   7.0384  135.866   10.135  147.661   9.7824   31.777   1.1874   33.132   1.0993 -1.355219 1.618144 
1 1 1    9    3  -43 o   66.613   0.8014  596.369   14.338  585.531   20.121  607.549   20.437   65.979   1.1354   67.208   1.1322 -1.229393 1.603429 
1 1 1    9    3  -42 o   98.241   1.0884  1297.76   28.720  1278.08   38.429  1322.66   43.226   97.444   1.4683   99.104   1.6239 -1.659813 2.189300 
1 1 1    9    3  -41 o   25.249   1.1205   85.716   7.5992   93.673   9.4530   71.180   12.776   26.355   1.3398   22.881   2.1024 3.474047 2.493062 
1 1 1    9    3  -40 o   47.974   0.8785  309.266   11.320  296.606   15.105  325.487   17.098   46.969   1.1973   49.198   1.2939 -2.228905 1.762877 
1 1 1    9    3  -39 o  114.555   1.0276  1763.65   31.619  1749.01   44.470  1778.62   44.965  114.036   1.4519  114.997   1.4558 -0.9608002 2.056046 
1 1 1    9    3  -38 o   33.059   0.8809  146.843   7.8217  142.044   10.738  152.268   11.416   32.507   1.2299   33.655   1.2629 -1.148678 1.762825 
1 1 1    9    3  -37 o   41.906   0.7637  235.923   8.5962  233.462   13.180  237.744   11.340   41.678   1.1774   42.063   1.0038 -0.3850822 1.547186 
1 1 1    9    3  -36 o   60.096   0.8151  485.177   13.157  458.591   20.176  504.847   17.354   58.411   1.2860   61.294   1.0541 -2.883839 1.662856 
1 1 1    9    3  -35 o   85.564   0.8539  983.532   19.624  965.822   27.549  1001.78   27.962   84.775   1.2099   86.339   1.2058 -1.563690 1.708135 
1 1 1    9    3  -34 o  160.313   1.4510  3454.43   62.479  3482.55   81.187  3413.60   97.841  160.917   1.8784  159.261   2.2873 1.656433 2.959762 
1 1 1    9    3  -33 o   23.158   1.0304   72.047   6.4087   67.730   8.8694   76.763   9.2706   22.400   1.4826   23.855   1.4538 -1.455360 2.076466 
1 1 1    9    3  -32 o   40.305   0.7891  218.203   8.5421  211.071   13.019  223.595   11.319   39.636   1.2229   40.797   1.0330 -1.161583 1.600821 
1 1 1    9    3  -31 o  117.897   1.1418  1867.31   36.155  1900.73   51.586  1835.03   50.687  118.928   1.6149  116.855   1.6150 2.073517 2.283889 
1 1 1    9    3  -30 o  180.683   1.4673  4386.35   71.208  4430.49  101.321  4343.26  100.097  181.546   2.0779  179.751   2.0733 1.795670 2.935324 
1 1 1    9    3  -29 o  142.954   1.2016  2745.21   46.135  2705.76   64.683  2786.06   65.822  141.903   1.6971  143.993   1.7019 -2.090118 2.403467 
1 1 1    9    3  -28 o   89.739   0.9025  1081.65   21.754  1095.46   29.624  1065.49   32.047   90.305   1.2214   89.059   1.3397 1.246223 1.812891 
1 1 1    9    3  -27 o   67.322   0.7844  608.719   14.183  624.974   19.418  590.127   20.766   68.212   1.0598   66.282   1.1665 1.930122 1.576034 
1 1 1    9    3  -26 o  172.389   1.7229  3992.62   79.776  4061.44  101.937  3883.86  128.150  173.847   2.1831  169.969   2.8071 3.878922 3.556089 
1 1 1    9    3  -25 o  216.053   1.9849  6271.85  115.184  6173.15  170.773  6354.22  156.014  214.282   2.9672  217.424   2.6716 -3.142502 3.992658 
1 1 1    9    3  -24 o   94.837   1.0186  1208.01   25.947  1231.76   45.346  1196.45   31.639   95.753   1.7632   94.380   1.2481 1.373627 2.160213 
1 1 1    9    3  -23 o  167.197   1.3636  3754.99   61.238  3718.63   86.108  3792.20   87.107  166.369   1.9270  168.007   1.9304 -1.637573 2.727555 
1 1 1    9    3  -22 o   35.371   0.9827  168.039   9.3357  158.857   13.314  176.919   13.094   34.389   1.4415   36.292   1.3432 -1.902908 1.970316 
1 1 1    9    3  -21 o  113.156   1.0378  1719.74   31.541  1722.97   42.669  1715.85   46.833  113.257   1.4027  113.021   1.5428 0.2363586 2.085102 
1 1 1    9    3  -20 o  181.599   1.6041  4429.94   78.244  4591.04  126.215  4329.39   99.716  184.837   2.5423  179.511   2.0681 5.325180 3.277295 
1 1 1    9    3  -19 o  238.927   2.1732  7669.97  139.463  7552.39  185.384  7823.29  211.683  237.045   2.9117  241.233   3.2671 -4.188065 4.376272 
1 1 1    9    3  -18 o  337.159   2.8661 15277.09  259.547 15267.15  310.205 15300.28  473.915  336.998   3.4271  337.136   5.2336 -0.1380005 6.255873 
1 1 1    9    3  -17 o  200.962   1.6033  5424.70   86.540  5384.90  112.688  5481.91  135.112  200.209   2.0956  201.990   2.4904 -1.781281 3.254785 
1 1 1    9    3  -16 o  178.126   1.4374  4261.62   68.771  4236.69   89.667  4297.25  107.170  177.595   1.8798  178.851   2.2310 -1.256104 2.917331 
1 1 1    9    3  -15 o   75.692   0.9992  769.459   20.315  792.658   31.126  752.245   26.812   76.822   1.5085   74.839   1.3339 1.982864 2.013667 
1 1 1    9    3  -14 o  221.723   1.7548  6603.15  104.501  6632.07  148.160  6574.52  147.416  222.190   2.4826  221.224   2.4810 0.9662170 3.509796 
1 1 1    9    3  -13 o  316.325   2.5682 13441.74  218.196 13441.68  323.608 13441.79  295.461  316.269   3.8095  316.287   3.4780 -0.1821899E-01 5.158372 
1 1 1    9    3  -12 o  239.478   1.8855  7702.88  121.281  7674.77  171.145  7731.25  171.893  239.024   2.6658  239.902   2.6677 -0.8778992 3.771347 
1 1 1    9    3  -11 o  126.858   1.4053  2161.36   47.882  2271.18   75.283  2086.75   62.050  130.035   2.1555  124.646   1.8534 5.388786 2.842745 
1 1 1    9    3  -10 o  182.563   1.9204  4476.50   94.164  4379.79  141.918  4552.55  125.860  180.567   2.9262  184.100   2.5453 -3.532516 3.878333 
1 1 1    9    3   -9 o  669.426   5.3638 60231.01  964.430 60191.42  1430.86 60263.97  1305.56  668.879   7.9645  669.383   7.2616 -0.5040283 10.77790 
1 1 1    9    3   -8 o  177.223   1.4280  4218.19   67.973  4271.42   96.855  4166.52   95.419  178.333   2.0221  176.130   2.0170 2.203415 2.856080 
1 1 1    9    3   -7 o  421.490   3.3946 23865.18  384.298 24211.41  576.077 23587.55  515.856  424.461   5.0530  418.981   4.5840 5.480164 6.822443 
1 1 1    9    3   -6 o  350.804   3.1373 16530.87  295.609 16892.88  450.453 16257.04  391.770  354.569   4.7299  347.853   4.1932 6.716400 6.321010 
1 1 1    9    3   -5 o  537.135   4.7641 38767.40  687.318 38793.30  1031.53 38746.71  921.736  537.130   7.1501  536.874   6.3921 0.2561646 9.590753 
1 1 1    9    3   -4 o  295.981   2.5235 11766.69  200.610 11643.62  257.387 11957.17  320.199  294.414   3.2549  298.333   3.9960 -3.918762 5.153879 
1 1 1    9    3   -3 o  301.080   2.5655 12175.70  207.466 12300.25  269.649 11994.99  324.788  302.601   3.3177  298.803   4.0469 3.797394 5.233025 
1 1 1    9    3   -2 o  101.019   1.1751  1370.51   31.883  1374.31   42.253  1365.48   48.585  101.158   1.5551  100.831   1.7940 0.3264236 2.374180 
1 1 1    9    3   -1 o  239.979   2.0662  7734.83  133.178  7644.38  170.654  7875.71  212.988  238.564   2.6633  242.136   3.2749 -3.572601 4.221186 
1 1 1    9    3    0 o   41.806   0.7917  234.717   8.8893  247.384   13.770  225.667   11.639   42.919   1.1945   40.992   1.0572 1.926929 1.595161 
1 1 1    9    3    1 o  594.707   4.7655 47522.29  761.208 47263.64  1026.98 47837.63  1133.97  592.956   6.4483  596.487   7.0780 -3.530640 9.574919 
1 1 1    9    3    2 o  339.397   3.0357 15472.92  276.732 15616.29  340.966 15196.21  473.696  340.948   3.7233  336.277   5.2446 4.670624 6.431859 
1 1 1    9    3    3 o  477.662   3.8382 30651.61  492.431 30528.74  664.575 30801.19  733.291  476.635   5.1912  478.726   5.7029 -2.090790 7.711787 
1 1 1    9    3    4 o  322.584   2.7422 13977.37  237.595 14136.98  309.011 13746.56  371.600  324.401   3.5465  319.867   4.3253 4.534149 5.593361 
1 1 1    9    3    5 o  514.646   4.3320 35585.76  598.807 35904.23  777.502 35121.43  938.802  516.865   5.6006  511.105   6.8387 5.760376 8.839331 
1 1 1    9    3    6 o  527.112   4.6783 37333.87  662.337 37887.83  819.036 36286.97  1125.95  530.936   5.7434  519.393   8.0710 11.54333 9.905968 
1 1 1    9    3    7 o  620.731   5.8327 51789.97  972.450 51788.77  1122.97 51793.57  1944.48  620.634   6.7366  619.945   11.678 0.6888428 13.48150 
1 1 1    9    3    8 o  211.322   2.3715  5998.12  134.603  5732.95  159.914  6642.58  249.303  206.590   2.8819  222.350   4.1745 -15.75943 5.072633 
1 1 1    9    3    9 o  302.253   3.3253 12272.67  269.960 12380.50  332.285 12063.29  463.014  303.554   4.0755  299.570   5.7544 3.983887 7.051481 
1 1 1    9    3   10 o  502.647   4.4627 33951.02  602.496 33834.20  736.307 34187.74  1048.12  501.705   5.4641  504.088   7.7413 -2.382690 9.475406 
1 1 1    9    3   11 o  407.485   3.4452 22307.98  377.063 22313.03  487.161 22300.43  595.501  407.476   4.4512  407.293   5.4436 0.1828613 7.031762 
1 1 1    9    3   12 o  155.027   1.3947  3227.80   58.076  3279.95   82.846  3177.42   81.435  156.268   1.9738  153.806   1.9713 2.461716 2.789609 
1 1 1    9    3   13 o  285.878   2.2308 10977.88  171.291 11004.25  242.635 10951.69  241.852  286.190   3.1565  285.505   3.1539 0.6842346 4.462111 
1 1 1    9    3   14 o  250.103   1.9645  8402.06  131.969  8399.74  186.558  8404.38  186.706  250.044   2.7778  250.113   2.7793 -0.6898499E-01 3.929463 
1 1 1    9    3   15 o  218.167   1.8058  6393.26  105.817  6425.00  157.370  6367.06  142.962  218.682   2.6793  217.702   2.4449 0.9805298 3.627142 
1 1 1    9    3   16 o  143.860   1.3127  2779.69   50.724  2787.58   80.152  2774.41   65.511  144.052   2.0716  143.718   1.6971 0.3336334 2.677995 
1 1 1    9    3   17 o  225.994   1.7879  6860.63  108.528  6772.62  166.662  6925.43  143.003  224.501   2.7639  227.039   2.3451 -2.537323 3.624707 
1 1 1    9    3   18 o  136.043   1.3193  2485.86   48.208  2455.96   64.314  2524.21   72.830  135.214   1.7709  137.075   1.9781 -1.861465 2.655020 
1 1 1    9    3   19 o   34.942   0.7479  163.977   7.0190  159.373   9.7889  168.848   10.070   34.447   1.0580   35.456   1.0574 -1.009266 1.495806 
1 1 1    9    3   20 o  294.110   2.3972 11623.14  189.366 11648.58  281.168 11602.03  256.181  294.333   3.5566  293.774   3.2467 0.5586548 4.815640 
1 1 1    9    3   21 o  101.494   1.4146  1383.67   38.564  1358.07   60.327  1401.36   50.148  100.536   2.2341  102.134   1.8281 -1.598320 2.886673 
1 1 1    9    3   22 o  158.242   1.5049  3363.61   63.962  3407.33  111.878  3342.38   77.959  159.229   2.6160  157.732   1.8401 1.496628 3.198333 
1 1 1    9    3   23 o   86.557   0.8769  1006.25   20.386  1020.38   30.477  994.798   27.425   87.159   1.3019   86.060   1.1864 1.098335 1.761399 
1 1 1    9    3   24 o  169.110   1.5091  3841.62   68.547  3809.03   96.442  3874.89   97.448  168.369   2.1326  169.818   2.1365 -1.449310 3.018686 
1 1 1    9    3   25 o  219.299   1.8210  6461.20  107.259  6434.46  158.680  6483.69  145.544  218.791   2.7002  219.642   2.4671 -0.8516388 3.657562 
1 1 1    9    3   26 o  168.006   1.6790  3792.10   75.764  3795.73  123.529  3789.92   95.924  168.033   2.7370  167.939   2.1266 0.9484863E-01 3.466098 
1 1 1    9    3   27 o   25.428   0.9947   86.845   6.7935   91.704   9.5775   81.925   9.6377   26.092   1.3715   24.652   1.4621 1.440128 2.004667 
1 1 1    9    3   28 o   20.212   1.0578   55.025   5.7224   52.166   8.6560   57.246   7.6268   19.634   1.6569   20.596   1.3867 -0.9617920 2.160608 
1 1 1    9    3   29 o  234.231   1.8555  7372.94  116.731  7284.91  163.853  7463.67  166.340  232.751   2.6210  235.589   2.6288 -2.837524 3.712155 
1 1 1    9    3   30 o  223.258   1.7759  6698.51  106.493  6723.25  150.889  6673.96  150.321  223.591   2.5125  222.770   2.5123 0.8210449 3.553083 
1 1 1    9    3   31 o  153.684   1.2799  3173.24   52.832  3188.99   74.834  3157.58   74.597  154.033   1.8088  153.272   1.8120 0.7606506 2.560326 
1 1 1    9    3   32 o  186.218   1.6536  4660.81   82.705  4636.48  106.369  4698.00  131.519  185.681   2.1328  186.844   2.6207 -1.162949 3.378912 
1 1 1    9    3   33 o   67.915   1.0289  619.666   18.768  612.794   21.723  639.890   37.267   67.533   1.1976   68.978   2.0115 -1.445129 2.341055 
1 1 1    9    3   34 o  187.945   1.6694  4749.21   84.275  4732.59  108.495  4774.50  133.812  187.545   2.1538  188.282   2.6460 -0.7373047 3.411821 
1 1 1    9    3   35 o   28.862   1.1124  111.936   8.6235  112.711   12.341  111.196   12.055   28.909   1.5955   28.715   1.5690 0.1935692 2.237707 
1 1 1    9    3   36 o   19.540   1.0748   51.464   5.6195   55.449   7.8128   47.194   8.0885   20.257   1.4454   18.662   1.6300 1.594967 2.178611 
1 1 1    9    3   37 o   65.281   0.8228  572.543   14.427  558.755   18.531  593.763   22.989   64.481   1.0700   66.461   1.2878 -1.979324 1.674320 
1 1 1    9    3   38 o   20.586   0.9654   56.946   5.3379   59.782   7.1496   53.374   8.0236   21.050   1.2705   19.864   1.5153 1.185791 1.977486 
1 1 1    9    3   39 o   52.589   0.7879  371.577   11.130  374.852   15.303  367.900   16.216   52.811   1.0789   52.315   1.1540 0.4950867 1.579780 
1 1 1    9    3   40 o   92.830   0.9501  1158.10   23.689  1176.05   35.488  1143.68   31.816   93.506   1.4130   92.223   1.2844 1.283104 1.909564 
1 1 1    9    3   41 o   48.097   0.8418  310.871   10.875  322.546   17.223  303.131   14.024   48.970   1.3095   47.484   1.0996 1.485851 1.709903 
1 1 1    9    3   42 o   26.952   0.9191   97.638   6.6531   96.028   9.6225   99.112   9.2089   26.681   1.3471   27.144   1.2631 -0.4624405 1.846665 
1 1 1    9    3   43 o  113.557   1.0319  1733.98   31.472  1706.65   44.161  1762.19   44.865  112.585   1.4604  114.403   1.4601 -1.817314 2.065081 
1 1 1    9    3   44 o   37.990   0.8871  194.031   9.0516  186.270   14.149  199.408   11.777   37.192   1.4164   38.500   1.1389 -1.307724 1.817459 
1 1 1    9    3   45 o   76.167   0.8755  779.991   17.911  787.192   26.390  773.840   24.390   76.467   1.2849   75.828   1.1975 0.6390686 1.756412 
1 1 1    9    3   46 o   30.815   1.0738  127.758   8.8879  120.266   12.115  136.489   13.079   29.833   1.5169   31.821   1.5303 -1.988064 2.154748 
1 1 1    9    3   47 o   22.576   1.1578   68.782   6.9970   71.575   10.069   66.173   9.7306   22.976   1.6424   22.085   1.6523 0.8900871 2.329762 
1 1 1    9    3   48 o   36.469   1.0160  178.950   9.9515  175.579   14.049  182.345   14.098   36.088   1.4494   36.779   1.4272 -0.6909485 2.034090 
1 1 1    9    3   49 o   54.359   0.9061  397.487   13.230  400.822   19.361  394.566   18.119   54.536   1.3218   54.119   1.2465 0.4167976 1.816862 
1 1 1    9    3   50 o   17.031   1.4720   39.428   6.6673   45.325   9.4496   33.581   9.4087   18.190   1.9654   15.555   2.3232 2.634731 3.043049 
1 1 1    9    3   51 o   64.407   0.8699  558.129   15.048  564.482   20.683  550.983   21.935   64.720   1.1898   63.924   1.2776 0.7955513 1.745809 
1 1 1    9    3   52 f   17.115   1.7349   40.046   7.8648   33.452   12.401   44.483   10.172   15.326   3.1186   17.967   2.1506 -2.641529 3.788245 
1 1 1    9    3   53 o   20.851   1.4537   59.005   8.0906   58.982   10.773   59.035   12.252   20.760   1.9552   20.710   2.2383 0.5035019E-01 2.971992 
1 1 1    9    3   54 o   53.965   0.8973  391.971   13.006  383.051   18.738  400.264   18.066   53.280   1.3093   54.479   1.2347 -1.198212 1.799668 
1 1 1    9    3   55 o   34.098   1.0856  156.670   9.9420  161.850   14.603  152.194   13.574   34.593   1.5716   33.555   1.5061 1.038181 2.176770 
1 1 1    9    3   56 f   18.417   1.5865   46.238   7.7711   44.871   10.669   47.782   11.342   18.003   2.2559   18.570   2.3249 -0.5665627 3.239526 
1 1 1    9    3   57 o   29.724   1.1231  119.182   8.9661  109.243   12.575  129.459   12.788   28.337   1.6594   30.919   1.5398 -2.582483 2.263808 
1 1 1    9    3   58 o   56.799   0.9381  434.842   14.311  432.207   19.281  438.075   21.355   56.540   1.2696   56.883   1.3977 -0.3422356 1.888277 
1 1 1    9    3   59 o   40.449   1.1895  221.267   12.923  209.870   19.710  229.861   17.114   39.191   1.8724   41.126   1.5493 -1.935577 2.430323 
1 1 1    9    3   60 o   10.589   2.8313   16.317   8.2082   17.806   11.562   14.804   11.655   11.103   3.4831   10.366   3.5134 0.7368879 4.947288 
1 1 1    9    3   61 o   8.3752   3.2254   7.4364   10.240   8.6552   13.567   5.8226   15.611   9.3101   3.6752   9.2579   3.8359 0.5219173E-01 5.312407 
1 1 1    9    3   62 o   7.1026   2.8753   3.8084   8.5178   5.0517   12.285   2.6574   11.820   8.3284   3.4220   7.8059   3.2930 0.5224228 4.749106 
1 1 1    9    4  -61 o   18.142   2.1402   46.251   10.228   45.539   15.685   46.779   13.491   17.412   3.4755   17.931   2.9003 -0.5190067 4.526635 
1 1 1    9    4  -60 o   6.9696   2.8309   3.2859   8.2874  -9.1100   12.156   14.052   11.328   6.3854   2.9627   10.124   3.4636 -3.738573 4.557866 
1 1 1    9    4  -59 o   37.849   1.1873  193.828   12.069  192.633   15.879  195.462   18.574   37.626   1.5712   37.815   1.8287 -0.1882095 2.410995 
1 1 1    9    4  -58 o   8.4206   2.8900   9.1649   7.8882   13.935   11.148   4.3816   11.163   10.178   3.4361   8.0883   3.2855 2.089663 4.754101 
1 1 1    9    4  -57 o   37.954   0.9692  194.134   9.8795  195.974   14.140  192.379   13.809   38.064   1.3831   37.717   1.3631 0.3468361 1.941944 
1 1 1    9    4  -56 f   26.375   1.3268   94.193   9.3691   85.918   13.218  102.549   13.283   25.058   1.9800   27.428   1.8132 -2.370119 2.684803 
1 1 1    9    4  -55 o   5.7876   2.5894  -3.3948   8.2669 -15.8701   11.442   10.232   11.958   5.5600   2.6658   9.5394   3.5261 -3.979400 4.420391 
1 1 1    9    4  -54 o   15.923   1.6773   34.689   7.0652   28.144   9.9306   41.398   10.054   14.104   2.7201   17.303   2.2141 -3.199218 3.507291 
1 1 1    9    4  -53 o   14.662   2.0026   29.714   7.6801   21.599   11.050   37.297   10.682   12.284   3.2853   16.342   2.5142 -4.057810 4.136931 
1 1 1    9    4  -52 o   21.087   1.2681   60.193   7.1492   58.423   10.183   61.914   10.039   20.681   1.8530   21.310   1.7700 -0.6288853 2.562504 
1 1 1    9    4  -51 o   57.432   0.8401  443.769   12.959  453.331   18.505  434.565   18.155   57.995   1.1879   56.782   1.1904 1.213432 1.681740 
1 1 1    9    4  -50 o   52.317   0.8512  368.212   11.960  379.457   17.459  358.267   16.418   53.062   1.2250   51.565   1.1855 1.497005 1.704697 
1 1 1    9    4  -49 o   27.521   1.0281  101.944   7.5994  104.380   10.709   99.474   10.786   27.781   1.4401   27.112   1.4869 0.6689148 2.069929 
1 1 1    9    4  -48 o   46.055   0.8172  285.213   10.108  288.175   14.372  282.313   14.219   46.263   1.1566   45.790   1.1561 0.4728546 1.635377 
1 1 1    9    4  -47 o   28.781   1.2153  111.534   9.3945  109.875   14.325  112.785   12.444   28.452   1.8852   28.869   1.6113 -0.4164009 2.479955 
1 1 1    9    4  -46 o   78.053   0.8943  819.249   18.748  817.351   25.408  821.518   27.778   77.919   1.2141   78.099   1.3242 -0.1802979 1.796534 
1 1 1    9    4  -45 o   61.950   0.8018  515.921   13.341  522.818   18.970  509.171   18.766   62.332   1.1331   61.513   1.1359 0.8191948 1.604382 
1 1 1    9    4  -44 o   52.041   1.1135  364.352   15.565  371.216   24.271  359.557   20.285   52.464   1.7224   51.664   1.4618 0.7997398 2.259135 
1 1 1    9    4  -43 o   27.579   0.9800  102.274   7.2594  102.168   9.7608  102.407   10.860   27.551   1.3190   27.537   1.4736 0.1448250E-01 1.977741 
1 1 1    9    4  -42 o   57.323   0.9336  441.725   14.375  445.441   21.944  438.933   19.025   57.526   1.4202   57.120   1.2401 0.4062386 1.885415 
1 1 1    9    4  -41 o   62.452   0.7810  524.098   13.101  533.426   18.606  514.925   18.451   62.987   1.0998   61.884   1.1101 1.102585 1.562625 
1 1 1    9    4  -40 o   53.211   0.8326  380.464   11.900  374.685   15.273  389.393   18.984   52.794   1.0771   53.808   1.3136 -1.013317 1.698707 
1 1 1    9    4  -39 o   93.010   0.9035  1162.49   22.571  1166.64   31.888  1158.33   31.954   93.147   1.2746   92.815   1.2818 0.3328094 1.807626 
1 1 1    9    4  -38 o   12.898   1.4875   22.670   5.0587   17.831   7.0674   27.755   7.2441   11.288   2.4047   14.227   1.9469 -2.938713 3.094022 
1 1 1    9    4  -37 o  123.242   1.1283  2041.37   37.350  2077.60   55.834  2012.03   50.248  124.273   1.6728  122.313   1.5295 1.959633 2.266608 
1 1 1    9    4  -36 o   57.718   0.7735  447.545   11.992  451.507   17.658  444.154   16.336   57.962   1.1342   57.491   1.0580 0.4711647 1.551045 
1 1 1    9    4  -35 o  105.013   1.0507  1481.82   29.637  1442.97   45.977  1509.44   38.766  103.585   1.6525  105.967   1.3620 -2.382645 2.141491 
1 1 1    9    4  -34 o   41.668   0.7270  233.219   8.1367  239.055   11.532  227.432   11.482   42.181   1.0179   41.142   1.0391 1.038597 1.454552 
1 1 1    9    4  -33 o   89.805   0.9503  1083.47   22.923  1086.22   29.771  1079.46   35.925   89.908   1.2328   89.615   1.4925 0.2927856 1.935828 
1 1 1    9    4  -32 o   47.979   1.0065  309.247   12.970  330.098   19.316  292.125   17.504   49.561   1.4511   46.624   1.3977 2.936462 2.014751 
1 1 1    9    4  -31 o   25.573   0.8998   87.849   6.1808   83.282   8.3571   93.362   9.1832   24.865   1.2554   26.360   1.2970 -1.494993 1.805070 
1 1 1    9    4  -30 o  136.770   1.1612  2512.98   42.657  2512.30   60.280  2513.67   60.373  136.729   1.6414  136.766   1.6435 -0.3704834E-01 2.322798 
1 1 1    9    4  -29 o  276.875   2.1718 10305.51  161.509 10409.67  229.725 10203.70  227.113  278.130   3.0752  275.366   3.0707 2.764496 4.345795 
1 1 1    9    4  -28 o  224.097   1.7801  6748.29  107.145  6754.79  151.525  6741.79  151.527  224.138   2.5170  223.923   2.5194 0.2159119 3.561257 
1 1 1    9    4  -27 o  101.909   1.0263  1394.97   28.093  1388.65   39.674  1401.33   39.783  101.669   1.4529  102.132   1.4503 -0.4631805 2.052833 
1 1 1    9    4  -26 o  160.527   1.6213  3462.03   69.904  3447.71   88.181  3486.25  114.678  160.176   2.0497  161.035   2.6514 -0.8587494 3.351245 
1 1 1    9    4  -25 o  113.427   1.2245  1728.16   37.304  1669.10   46.190  1838.93   63.260  111.466   1.5428  116.986   2.0133 -5.520050 2.536465 
1 1 1    9    4  -24 o  222.963   1.9372  6679.27  116.013  6679.81  183.130  6678.90  149.937  222.895   3.0589  222.922   2.5042 -0.2734375E-01 3.953204 
1 1 1    9    4  -23 o   76.535   0.8497  786.711   17.467  742.061   26.679  820.205   23.107   74.327   1.3364   78.145   1.1009 -3.818169 1.731459 
1 1 1    9    4  -22 o  282.976   2.1258 10759.06  161.570 10853.64  221.470 10651.46  236.234  284.156   2.9018  281.477   3.1247 2.679626 4.264275 
1 1 1    9    4  -21 o  115.568   1.0075  1793.85   31.272  1759.13   40.419  1845.64   49.359  114.440   1.3150  117.216   1.5678 -2.775749 2.046244 
1 1 1    9    4  -20 o  139.930   1.2209  2629.98   45.887  2617.86   61.773  2644.90   68.542  139.599   1.6475  140.314   1.8187 -0.7149200 2.453969 
1 1 1    9    4  -19 o   96.528   1.0723  1251.46   27.800  1258.70   39.063  1244.03   39.574   96.802   1.5024   96.235   1.5310 0.5663300 2.145057 
1 1 1    9    4  -18 o  105.910   1.3277  1506.66   37.767  1510.12   53.807  1503.29   53.024  106.023   1.8895  105.783   1.8662 0.2395020 2.655737 
1 1 1    9    4  -17 o   46.010   0.8321  284.312   10.282  286.331   13.634  281.649   15.659   46.172   1.0994   45.792   1.2731 0.3798599 1.682103 
1 1 1    9    4  -16 o  183.467   1.4765  4521.18   72.758  4585.59  103.764  4458.89  102.049  184.753   2.0911  182.183   2.0855 2.570160 2.953262 
1 1 1    9    4  -15 o   89.971   0.8402  1087.15   20.305  1064.31   28.390  1111.06   29.051   89.019   1.1874   90.953   1.1892 -1.934082 1.680513 
1 1 1    9    4  -14 o  166.707   1.3549  3732.67   60.666  3779.73   86.361  3686.82   85.239  167.745   1.9168  165.671   1.9156 2.074295 2.709903 
1 1 1    9    4  -13 o  213.714   1.6953  6134.75   97.314  6144.53  137.708  6125.00  137.539  213.867   2.3973  213.527   2.3982 0.3400726 3.390903 
1 1 1    9    4  -12 o  230.725   1.8205  7150.24  112.819  7102.08  158.805  7199.31  160.306  229.928   2.5715  231.497   2.5782 -1.568283 3.641350 
1 1 1    9    4  -11 o  344.735   2.6712 15964.86  247.330 15839.23  348.048 16093.02  351.533  343.324   3.7744  346.063   3.7820 -2.739258 5.343134 
1 1 1    9    4  -10 o  186.248   1.4943  4658.90   74.750  4561.51  104.288  4761.79  107.196  184.284   2.1069  188.286   2.1197 -4.001999 2.988693 
1 1 1    9    4   -9 o  239.821   1.8865  7724.82  121.518  7602.99  170.106  7851.78  173.655  237.908   2.6621  241.769   2.6742 -3.860840 3.773321 
1 1 1    9    4   -8 o  259.069   2.0293  9014.65  141.204  9076.72  200.565  8953.65  198.833  259.943   2.8727  258.174   2.8674 1.768097 4.058821 
1 1 1    9    4   -7 o  586.101   4.4987 46159.71  708.192 46084.40  1000.41 46235.36  1002.66  585.449   6.3621  586.407   6.3659 -0.9577026 9.000062 
1 1 1    9    4   -6 o  137.266   1.1959  2530.50   44.091  2539.19   65.506  2523.31   59.616  137.498   1.7738  137.069   1.6193 0.4295044 2.401752 
1 1 1    9    4   -5 o  528.176   4.6856 37486.50  664.716 37074.89  989.823 37824.61  897.103  525.076   7.0185  530.427   6.2969 -5.350586 9.429199 
1 1 1    9    4   -4 o  420.797   3.7469 23788.51  423.482 23826.51  734.656 23769.60  518.247  420.978   6.4973  420.591   4.5876 0.3865662 7.953670 
1 1 1    9    4   -3 o  233.391   1.9201  7315.96  120.366  7409.08  164.218  7207.85  176.940  234.862   2.6033  231.647   2.8439 3.215256 3.855443 
1 1 1    9    4   -2 o  441.413   3.3990 26174.59  402.986 26234.72  570.705 26114.79  569.116  441.855   4.8088  440.844   4.8064 1.011017 6.799026 
1 1 1    9    4   -1 o   45.389   0.9963  276.672   12.146  305.896   20.402  260.626   15.118   47.725   1.5916   44.052   1.2777 3.672249 2.040988 
1 1 1    9    4    0 o  283.145   2.3066 10768.04  175.414 10895.55  262.165 10664.67  236.033  284.793   3.4273  281.767   3.1188 3.026489 4.633945 
1 1 1    9    4    1 o  345.892   2.9340 16070.79  272.582 16304.80  355.268 15735.87  425.021  348.376   3.7968  342.214   4.6240 6.161957 5.983079 
1 1 1    9    4    2 o  269.457   2.1059  9751.89  152.411  9754.92  215.491  9748.86  215.592  269.483   2.9772  269.400   2.9795 0.8367920E-01 4.212007 
1 1 1    9    4    3 o  245.434   1.9280  8090.49  127.100  8059.09  179.155  8122.31  180.343  244.946   2.7231  245.905   2.7305 -0.9588623 3.856290 
1 1 1    9    4    4 o  197.089   1.7216  5216.98   91.138  5392.68  131.588  5055.00  126.348  200.372   2.4450  193.997   2.4248 6.374725 3.443548 
1 1 1    9    4    5 o   84.686   0.9280  963.162   21.109  945.984   28.090  985.451   31.997   83.927   1.2461   85.659   1.3907 -1.732391 1.867315 
1 1 1    9    4    6 o  442.018   3.5557 26247.95  422.136 26263.06  571.705 26229.83  625.957  442.081   4.8148  441.772   5.2754 0.3083191 7.142272 
1 1 1    9    4    7 o  478.375   4.2495 30748.78  546.003 30714.99  818.101 30775.91  733.187  477.954   6.3728  478.484   5.7050 -0.5301208 8.553315 
1 1 1    9    4    8 o  323.093   2.8957 14022.71  251.291 13868.36  374.043 14149.69  339.256  321.258   4.3349  324.518   3.8922 -3.260681 5.825837 
1 1 1    9    4    9 o  561.380   4.9784 42358.65  750.648 42452.34  1008.66 42242.35  1123.81  561.811   6.6844  560.315   7.4674 1.496582 10.02210 
1 1 1    9    4   10 o  360.751   3.0586 17483.59  296.360 17730.39  386.091 17129.61  462.382  363.245   3.9573  356.986   4.8223 6.258667 6.238200 
1 1 1    9    4   11 o  195.211   1.6298  5118.24   85.452  5160.96  116.242  5068.01  126.048  196.015   2.2079  194.238   2.4161 1.777267 3.272961 
1 1 1    9    4   12 o  348.785   2.8225 16343.49  264.418 16302.67  357.260 16392.95  393.206  348.294   3.8190  349.232   4.1919 -0.9378052 5.670705 
1 1 1    9    4   13 o  165.514   1.4075  3679.39   62.573  3590.93   83.427  3793.16   94.608  163.504   1.8997  168.042   2.0961 -4.537231 2.828883 
1 1 1    9    4   14 o  310.941   2.4181 12988.99  201.948 13175.72  288.110 12808.63  283.148  313.110   3.4259  308.719   3.4148 4.391815 4.837049 
1 1 1    9    4   15 o  188.221   1.5113  4758.48   76.404  4715.94  107.505  4801.90  108.606  187.363   2.1363  189.062   2.1387 -1.699707 3.022871 
1 1 1    9    4   16 o  240.344   1.8932  7759.80  122.217  7671.20  171.555  7851.11  174.155  238.934   2.6732  241.719   2.6825 -2.785233 3.787044 
1 1 1    9    4   17 o  140.419   1.3545  2648.39   51.085  2673.85   62.914  2599.11   87.524  141.086   1.6602  139.084   2.3429 2.002548 2.871520 
1 1 1    9    4   18 o  332.262   2.8256 14837.60  252.164 14791.59  324.944 14907.26  399.813  331.660   3.6477  332.846   4.4722 -1.185364 5.771189 
1 1 1    9    4   19 o  239.261   1.9708  7690.81  126.651  7642.56  186.910  7731.78  172.215  238.455   2.9183  239.859   2.6731 -1.404129 3.957567 
1 1 1    9    4   20 o   88.514   0.9217  1052.27   21.912  1041.64   30.788  1063.18   31.191   88.062   1.3017   88.968   1.3053 -0.9056625 1.843406 
1 1 1    9    4   21 o  178.313   1.5082  4271.03   72.234  4259.57  119.289  4277.67   90.766  178.037   2.4946  178.440   1.8938 -0.4024048 3.132020 
1 1 1    9    4   22 o  135.023   1.3195  2448.84   47.854  2428.20   63.909  2475.19   72.198  134.443   1.7698  135.731   1.9804 -1.288773 2.655985 
1 1 1    9    4   23 o  110.805   1.2865  1649.15   38.287  1673.66   72.751  1639.77   45.026  111.598   2.4271  110.485   1.5173 1.112846 2.862375 
1 1 1    9    4   24 o  179.708   1.6824  4338.59   81.204  4287.73  139.708  4364.53   99.792  178.589   2.9125  180.229   2.0615 -1.639374 3.568284 
1 1 1    9    4   25 o  103.507   1.0851  1439.04   30.167  1435.97   44.993  1441.56   40.660  103.387   1.6203  103.591   1.4614 -0.2043610 2.181923 
1 1 1    9    4   26 o  205.205   1.6411  5657.32   90.454  5598.90  127.061  5717.35  128.798  204.102   2.3178  206.249   2.3250 -2.147217 3.282963 
1 1 1    9    4   27 o   99.921   0.9231  1341.02   24.773  1342.36   34.994  1339.67   35.075   99.964   1.3033   99.863   1.3077 0.1004181 1.846261 
1 1 1    9    4   28 o  246.017   1.9418  8133.92  128.314  8063.10  180.504  8206.26  182.437  244.857   2.7446  247.020   2.7497 -2.163483 3.885083 
1 1 1    9    4   29 o  102.972   1.1518  1424.38   31.856  1427.11   45.026  1421.65   45.077  103.056   1.6266  102.859   1.6316 0.1977158 2.303939 
1 1 1    9    4   30 o   71.891   0.8295  694.197   16.017  709.011   21.689  676.427   23.754   72.649   1.1115   70.957   1.2464 1.691742 1.669995 
1 1 1    9    4   31 o  118.800   1.0910  1896.04   34.814  1850.62   46.520  1953.85   52.488  117.353   1.4759  120.573   1.6207 -3.220810 2.192043 
1 1 1    9    4   32 o  149.182   1.3684  2990.67   54.831  3013.79   77.842  2967.89   77.247  149.711   1.9358  148.566   1.9358 1.144470 2.737682 
1 1 1    9    4   33 o  149.366   1.2504  2998.01   50.163  3001.78   70.968  2994.24   70.915  149.415   1.7684  149.227   1.7693 0.1878357 2.501510 
1 1 1    9    4   34 o   90.855   0.8830  1108.94   21.547  1123.31   30.622  1094.85   30.324   91.425   1.2470   90.260   1.2508 1.165802 1.766254 
1 1 1    9    4   35 o   67.774   0.9724  617.167   17.700  604.712   24.907  629.875   25.158   67.071   1.3826   68.452   1.3684 -1.381897 1.945274 
1 1 1    9    4   36 o   45.898   0.8295  283.018   10.226  273.585   13.872  294.246   15.134   45.118   1.1447   46.789   1.2042 -1.670788 1.661468 
1 1 1    9    4   37 o   37.172   0.7587  185.630   7.5748  196.978   10.022  170.509   11.568   38.287   0.9746   35.616   1.2093 2.670776 1.553114 
1 1 1    9    4   38 o   55.596   0.7575  415.250   11.311  418.699   15.982  411.789   16.010   55.815   1.0661   55.352   1.0769 0.4629021 1.515314 
1 1 1    9    4   39 o  107.403   0.9888  1550.29   28.523  1560.14   40.489  1540.59   40.188  107.704   1.3996  107.027   1.3980 0.6769714 1.978252 
1 1 1    9    4   40 o  101.089   1.0938  1373.76   29.698  1392.98   44.890  1358.80   39.605  101.728   1.6429  100.496   1.4673 1.232750 2.202732 
1 1 1    9    4   41 o   30.149   0.9032  122.167   7.3141  110.451   10.680  132.516   10.037   28.651   1.3878   31.391   1.1905 -2.739485 1.828470 
1 1 1    9    4   42 o   88.911   0.8893  1062.58   21.237  1046.90   29.864  1078.63   30.206   88.212   1.2604   89.540   1.2560 -1.327652 1.779384 
1 1 1    9    4   43 o   45.836   0.8818  282.426   10.856  276.749   15.373  288.073   15.332   45.349   1.2621   46.269   1.2337 -0.9206467 1.764929 
1 1 1    9    4   44 o   20.780   1.2105   58.307   6.7271   58.384   8.8471   58.202   10.358   20.751   1.5996   20.681   1.8854 0.7066154E-01 2.472564 
1 1 1    9    4   45 o   13.655   1.6733   25.521   6.0086   30.136   8.4656   20.836   8.5295   14.766   2.2018   12.155   2.6844 2.611557 3.471846 
1 1 1    9    4   46 o   35.933   0.8423  173.606   8.1297  187.254   12.470  163.518   10.721   37.293   1.2449   34.856   1.1452 2.436756 1.691547 
1 1 1    9    4   47 o   4.0226   1.9527 -11.3439   6.6190 -12.0418   8.4725 -10.2509   10.603   4.7855   2.2943   5.8311   2.7261 -1.045642 3.563033 
1 1 1    9    4   48 o   14.079   1.6471   27.120   6.1110   33.977   8.5132   19.831   8.7773   15.709   2.0679   11.830   2.8050 3.879777 3.484869 
1 1 1    9    4   49 o   44.592   0.9000  267.501   10.779  268.988   14.408  265.611   16.245   44.686   1.2004   44.385   1.3626 0.3009644 1.815975 
1 1 1    9    4   50 o   52.956   0.8807  377.305   12.527  393.798   19.102  364.860   16.593   54.040   1.3161   52.037   1.1872 2.003689 1.772433 
1 1 1    9    4   51 o   71.125   0.9155  680.836   17.489  673.439   26.249  686.742   23.454   70.640   1.3835   71.373   1.2235 -0.7323608 1.846849 
1 1 1    9    4   52 o   6.2523   2.6927  -0.5571   8.1945   0.4138   10.263  -2.2644   13.610   7.1674   3.0482   7.8180   3.4174 -0.6505680 4.579310 
1 1 1    9    4   53 o   25.296   1.1969   86.282   8.1322   88.284   11.935   84.546   11.111   25.471   1.7552   24.940   1.6683 0.5315895 2.421585 
1 1 1    9    4   54 o   61.310   1.0058  506.249   16.564  519.474   26.224  497.472   21.364   61.977   1.5754   60.716   1.3101 1.261433 2.048926 
1 1 1    9    4   55 o   34.012   1.0399  155.859   9.5002  152.118   13.005  160.140   13.911   33.552   1.4431   34.416   1.5049 -0.8639908 2.085040 
1 1 1    9    4   56 f   24.610   1.2543   81.963   8.2632   72.156   11.566   92.190   11.810   22.970   1.8914   26.024   1.6990 -3.053747 2.542430 
1 1 1    9    4   57 o   45.804   0.9230  282.654   11.355  290.249   16.118  275.170   16.000   46.343   1.2949   45.118   1.3204 1.225456 1.849357 
1 1 1    9    4   58 o   27.374   1.2468  101.334   9.1670  110.161   12.248   90.093   13.822   28.432   1.6106   25.590   2.0276 2.841419 2.589396 
1 1 1    9    4   59 o   6.8564   2.8675   1.7441   8.8403   3.3361   11.082  -1.0421   14.661   7.8373   3.2383   8.1496   3.5550 -0.3123236 4.808814 
1 1 1    9    4   60 o   13.292   3.1409   26.112   11.035   25.465   15.247   26.823   15.993   13.017   3.9862   13.326   4.0829 -0.3086367 5.706127 
1 1 1    9    4   61 o   10.293   3.0109   15.541   8.8523   19.170   12.026   11.248   13.079   11.372   3.5498   9.6882   3.6656 1.684058 5.102728 
1 1 1    9    5  -61 o   6.7748   3.0575  -4.4335   11.808  -7.7501   15.998  -0.4640   17.502   7.5966   3.4789   8.7648   3.8521 -1.168190 5.190512 
1 1 1    9    5  -60 o   22.246   1.6543   68.040   9.8137   52.787   13.638   84.420   14.133   19.191   2.7221   24.602   2.1607 -5.410910 3.475406 
1 1 1    9    5  -59 o   25.950   1.5163   91.930   10.523  106.123   17.760   84.252   13.062   27.553   2.4245   24.694   1.9862 2.859022 3.134176 
1 1 1    9    5  -58 o   22.033   1.6885   66.466   9.9165   61.646   11.510   80.349   19.533   21.116   2.0555   23.722   3.1431 -2.605902 3.755602 
1 1 1    9    5  -57 f   28.801   1.1396  111.988   8.8160  102.229   12.431  121.862   12.504   27.379   1.6989   29.936   1.5606 -2.556719 2.306841 
1 1 1    9    5  -56 o   32.382   1.2206  141.551   10.616  121.651   14.831  162.464   15.204   29.862   1.8583   34.620   1.6351 -4.758036 2.475195 
1 1 1    9    5  -55 o   37.630   1.0323  190.801   10.434  195.302   13.968  185.120   15.693   38.024   1.3677   36.984   1.5798 1.040318 2.089602 
1 1 1    9    5  -54 o   40.474   0.9680  220.601   10.523  226.721   15.076  214.786   14.695   40.976   1.3698   39.883   1.3718 1.093357 1.938669 
1 1 1    9    5  -53 o   46.604   0.8848  292.328   11.076  299.852   15.872  285.186   15.463   47.147   1.2534   45.980   1.2521 1.167236 1.771638 
1 1 1    9    5  -52 o   52.689   0.9650  373.794   13.656  379.374   19.416  368.333   19.210   53.012   1.3636   52.234   1.3692 0.7782097 1.932442 
1 1 1    9    5  -51 o   6.5927   2.5262   4.0722   6.2614   17.272   9.0819  -7.8858   8.6442   11.026   2.9909   5.3151   2.4769 5.710736 3.883392 
1 1 1    9    5  -50 o   26.025   1.1226   91.246   7.8474   85.514   11.006   97.174   11.192   25.097   1.6418   26.773   1.5632 -1.675835 2.266957 
1 1 1    9    5  -49 o   40.409   0.8494  219.652   9.2189  222.663   13.067  216.668   13.008   40.653   1.1968   40.101   1.2077 0.5522461 1.700217 
1 1 1    9    5  -48 o   42.979   0.8404  248.423   9.7010  241.101   13.657  255.880   13.782   42.309   1.2018   43.589   1.1772 -1.280018 1.682317 
1 1 1    9    5  -47 o   54.490   0.9363  399.401   13.703  382.331   23.044  408.740   17.044   53.227   1.6119   55.100   1.1517 -1.872910 1.981033 
1 1 1    9    5  -46 o   51.932   0.8906  362.686   12.423  377.326   17.068  346.192   18.116   52.940   1.2004   50.695   1.3305 2.245548 1.791968 
1 1 1    9    5  -45 o   97.863   0.9838  1288.22   25.860  1312.57   35.567  1260.90   37.667   98.717   1.3414   96.731   1.4498 1.986252 1.975174 
1 1 1    9    5  -44 o   51.000   0.8159  349.656   11.177  356.722   16.395  343.521   15.277   51.484   1.1857   50.527   1.1257 0.9562683 1.634903 
1 1 1    9    5  -43 o   7.0779   2.7138   4.5888   7.2284   17.659   12.842  -1.4718   8.7452   11.482   3.6791   6.3330   2.7544 5.148714 4.595919 
1 1 1    9    5  -42 f   39.103   0.9536  205.574   10.015  202.196   11.817  214.184   18.868   38.771   1.1348   39.859   1.7624 -1.088123 2.096144 
1 1 1    9    5  -41 o   31.095   0.8528  129.948   7.1226  146.235   10.148  114.133   9.9998   32.975   1.1457   29.127   1.2782 3.848436 1.716560 
1 1 1    9    5  -40 o   54.042   0.7958  392.450   11.552  397.237   15.650  386.721   17.122   54.358   1.0719   53.627   1.1887 0.7308655 1.600662 
1 1 1    9    5  -39 o   94.749   0.9556  1206.52   24.319  1217.26   32.932  1193.64   36.066   95.141   1.2887   94.199   1.4255 0.9417953 1.921655 
1 1 1    9    5  -38 o  111.291   1.0081  1664.57   30.134  1684.61   42.820  1644.91   42.414  111.917   1.4245  110.590   1.4279 1.326988 2.016948 
1 1 1    9    5  -37 o   34.721   0.7877  161.969   7.3461  157.893   10.333  166.135   10.446   34.274   1.1224   35.158   1.1062 -0.8836174 1.575917 
1 1 1    9    5  -36 o  119.881   1.1583  1931.59   37.297  1944.30   58.989  1923.13   48.141  120.202   1.8271  119.586   1.4988 0.6167755 2.363209 
1 1 1    9    5  -35 o  119.074   1.2073  1905.67   38.612  1850.99   65.091  1935.35   47.961  117.262   2.0667  119.973   1.4884 -2.710365 2.546845 
1 1 1    9    5  -34 o   47.236   0.7865  299.743   9.9786  309.864   13.217  286.329   15.216   48.022   1.0247   46.157   1.2274 1.864899 1.598929 
1 1 1    9    5  -33 o   42.737   0.7240  245.338   8.3105  245.856   11.747  244.820   11.759   42.777   1.0224   42.687   1.0256 0.9034348E-01 1.448151 
1 1 1    9    5  -32 o   98.805   1.0618  1311.60   28.178  1307.83   37.990  1316.22   42.013   98.645   1.4338   98.953   1.5808 -0.3074951 2.134171 
1 1 1    9    5  -31 o  207.265   2.0318  5776.87  113.112  5754.13  142.801  5815.15  185.306  206.773   2.5713  207.719   3.3214 -0.9453735 4.200365 
1 1 1    9    5  -30 o  118.887   1.1400  1898.84   36.402  1975.46   52.391  1827.33   50.615  121.241   1.6089  116.606   1.6161 4.634682 2.280383 
1 1 1    9    5  -29 o   48.332   0.8372  313.765   10.868  338.937   16.973  296.270   14.150   50.228   1.2581   46.962   1.1218 3.265907 1.685601 
1 1 1    9    5  -28 o   60.003   1.0100  483.616   16.277  453.457   26.828  501.185   20.476   58.090   1.7195   61.080   1.2481 -2.989590 2.124696 
1 1 1    9    5  -27 o   66.977   0.9394  602.538   16.899  614.946   24.182  590.695   23.624   67.657   1.3307   66.310   1.3264 1.347397 1.878892 
1 1 1    9    5  -26 o  352.817   2.8609 16739.73  271.112 16659.60  400.848 16807.29  368.068  351.686   4.2436  353.328   3.8784 -1.641815 5.748940 
1 1 1    9    5  -25 o   31.114   0.8737  130.023   7.3018  135.475   8.7646  117.656   13.201   31.759   1.0275   29.546   1.6704 2.213116 1.961099 
1 1 1    9    5  -24 o  182.864   1.5426  4492.17   75.767  4404.52   93.771  4657.02  128.596  181.055   1.9283  186.135   2.5722 -5.080917 3.214733 
1 1 1    9    5  -23 o   55.009   0.7677  406.409   11.342  426.101   16.004  386.537   16.077   56.324   1.0579   53.645   1.1158 2.678997 1.537549 
1 1 1    9    5  -22 o  346.051   2.8038 16096.86  260.599 15874.41  382.894 16288.83  355.693  343.464   4.1505  347.974   3.8057 -4.509918 5.631201 
1 1 1    9    5  -21 o  243.270   1.9173  7950.89  125.275  7946.15  177.092  7955.63  177.240  243.148   2.7117  243.293   2.7123 -0.1448975 3.835332 
1 1 1    9    5  -20 o  275.852   2.1585 10224.16  159.925 10279.36  227.070 10169.83  225.277  276.527   3.0572  275.050   3.0494 1.476563 4.318047 
1 1 1    9    5  -19 o  143.968   1.1991  2783.91   46.367  2818.37   66.056  2750.45   65.101  144.845   1.6979  143.089   1.6939 1.755981 2.398375 
1 1 1    9    5  -18 o   94.308   1.0045  1194.54   25.444  1205.73   44.183  1188.98   31.124   94.739   1.7363   94.086   1.2316 0.6532898 2.128780 
1 1 1    9    5  -17 o  181.335   1.6868  4417.21   82.156  4329.05  108.977  4533.30  125.047  179.496   2.2604  183.670   2.5348 -4.173615 3.396278 
1 1 1    9    5  -16 o  218.487   1.8961  6412.94  111.271  6415.59  143.745  6408.98  175.762  218.508   2.4492  218.366   2.9967 0.1422729 3.870287 
1 1 1    9    5  -15 o  230.120   1.8174  7113.66  112.328  7238.03  160.564  6994.44  157.202  232.091   2.5757  228.152   2.5653 3.938278 3.635267 
1 1 1    9    5  -14 o  111.232   0.9739  1661.70   29.095  1605.01   40.365  1723.01   41.975  109.314   1.3748  113.261   1.3798 -3.947273 1.947786 
1 1 1    9    5  -13 o  262.564   2.0565  9260.97  145.033  9259.19  205.034  9262.75  205.180  262.501   2.9081  262.551   2.9096 -0.5032349E-01 4.113690 
1 1 1    9    5  -12 o  286.625   2.2362 11036.21  172.151 10913.94  241.655 11162.20  245.302  284.990   3.1570  288.212   3.1688 -3.222382 4.473037 
1 1 1    9    5  -11 o  401.748   3.1020 21686.81  334.729 21408.96  469.232 21974.70  477.637  399.062   4.3778  404.299   4.3985 -5.236267 6.205781 
1 1 1    9    5  -10 o  504.691   3.8820 34231.99  526.231 34673.74  750.569 33804.91  737.996  507.750   5.5036  501.351   5.4805 6.398743 7.766962 
1 1 1    9    5   -9 o  212.175   1.6836  6046.52   95.947  5993.20  134.988  6100.97  136.403  211.224   2.3794  213.115   2.3830 -1.890579 3.367476 
1 1 1    9    5   -8 o  249.502   1.9584  8361.34  131.240  8338.83  185.255  8384.02  185.948  249.146   2.7684  249.821   2.7712 -0.6741791 3.917081 
1 1 1    9    5   -7 o   88.535   1.0096  1052.71   24.009  1081.70   34.403  1025.19   33.521   89.744   1.4273   87.368   1.4285 2.375771 2.019317 
1 1 1    9    5   -6 f  439.810   3.3880 25987.29  400.223 25829.39  563.736 26147.75  568.294  438.386   4.7877  441.079   4.7969 -2.692749 6.777373 
1 1 1    9    5   -5 o  172.648   1.4573  4003.26   67.575  4040.53  100.818  3972.87   91.058  173.442   2.1642  171.986   1.9712 1.456024 2.927327 
1 1 1    9    5   -4 o  278.078   2.3773 10386.53  177.557 10458.57  281.920 10339.16  228.591  279.004   3.7620  277.427   3.0677 1.577057 4.854276 
1 1 1    9    5   -3 o  250.393   2.2690  8421.19  152.598  8505.59  230.358  8355.19  203.703  251.620   3.4085  249.395   3.0410 2.225632 4.567911 
1 1 1    9    5   -2 o  170.784   1.5154  3917.27   69.515  3944.56   98.693  3890.41   97.929  171.372   2.1441  170.191   2.1423 1.180298 3.030985 
1 1 1    9    5   -1 o  547.023   4.6018 40210.65  676.118 40653.57  879.168 39569.50  1057.76  549.913   5.9523  542.395   7.2607 7.518127 9.388718 
1 1 1    9    5    0 o  278.960   2.3851 10452.44  178.710 10311.28  228.843 10673.08  286.109  277.055   3.0752  281.854   3.7793 -4.798889 4.872419 
1 1 1    9    5    1 o  451.928   3.4792 27438.10  422.320 27605.16  599.677 27273.71  594.854  453.221   4.9262  450.493   4.9162 2.728485 6.959661 
1 1 1    9    5    2 o  189.949   1.5204  4845.78   77.570  4864.61  109.978  4827.14  109.424  190.311   2.1515  189.576   2.1490 0.7343597 3.040954 
1 1 1    9    5    3 o   74.953   0.7851  754.474   15.805  765.780   21.556  741.328   23.244   75.512   1.0628   74.296   1.1648 1.215637 1.576819 
1 1 1    9    5    4 o  292.840   2.2812 11518.39  179.427 11547.04  254.145 11489.92  253.353  293.180   3.2274  292.454   3.2253 0.7259827 4.562792 
1 1 1    9    5    5 o  293.521   2.2864 11572.16  180.250 11660.24  256.120 11485.72  253.721  294.611   3.2367  292.398   3.2306 2.212799 4.573111 
1 1 1    9    5    6 f  184.713   1.7123  4582.48   84.953  4490.19  125.770  4659.92  115.208  182.832   2.5611  186.260   2.3029 -3.427414 3.444215 
1 1 1    9    5    7 o  320.422   3.0492 13792.90  262.419 14800.19  448.689 13269.21  323.521  331.819   5.0344  314.250   3.8330 17.56955 6.327504 
1 1 1    9    5    8 o   89.869   0.9692  1084.67   23.396  1068.29   28.406  1119.21   41.252   89.187   1.1858   91.285   1.6825 -2.098312 2.058367 
1 1 1    9    5    9 o   71.724   0.9715  690.888   18.716  670.182   21.735  750.271   36.809   70.640   1.1456   74.739   1.8336 -4.098412 2.162061 
1 1 1    9    5   10 o  123.033   1.2149  2032.98   40.147  1985.01   53.006  2097.53   61.488  121.569   1.6233  124.965   1.8319 -3.395988 2.447688 
1 1 1    9    5   11 o  254.671   2.0881  8712.12  142.831  8648.48  192.235  8790.54  213.408  253.714   2.8209  255.778   3.1064 -2.063385 4.196113 
1 1 1    9    5   12 o  329.792   2.6736 14612.67  236.830 14782.82  322.980 14414.80  348.307  331.646   3.6258  327.467   3.9601 4.179413 5.369259 
1 1 1    9    5   13 o  157.333   1.5774  3324.86   66.658  3383.45   85.186  3232.32  107.055  158.705   1.9984  155.106   2.5697 3.598648 3.255340 
1 1 1    9    5   14 o  142.500   1.2996  2727.38   49.740  2727.58   64.161  2727.08   78.745  142.499   1.6764  142.478   2.0577 0.2067566E-01 2.654119 
1 1 1    9    5   15 o   30.736   0.7150  126.877   5.9027  123.897   7.8449  130.766   8.9614   30.373   0.9616   31.203   1.0693 -0.8302746 1.438092 
1 1 1    9    5   16 o  395.378   3.0555 21011.47  324.474 20930.90  457.716 21092.87  460.044  394.451   4.3203  395.973   4.3256 -1.522430 6.113527 
1 1 1    9    5   17 o  411.293   3.4798 22744.97  384.410 22634.27  494.843 22913.43  610.458  410.127   4.4922  412.441   5.5106 -2.313782 7.109632 
1 1 1    9    5   18 o  360.042   2.7889 17422.41  269.702 17344.07  380.248 17501.71  382.594  359.092   3.9425  360.719   3.9489 -1.627319 5.580059 
1 1 1    9    5   19 o  229.619   1.8158  7083.10  111.990  7059.66  158.059  7106.73  158.698  229.200   2.5675  229.962   2.5693 -0.7626343 3.632306 
1 1 1    9    5   20 o   60.484   1.0761  491.361   17.482  518.719   23.308  456.177   26.432   62.143   1.3964   58.273   1.6887 3.869316 2.191303 
1 1 1    9    5   21 o  206.197   1.7192  5711.77   95.215  5812.27  142.746  5631.21  127.799  207.963   2.5556  204.710   2.3243 3.252106 3.454476 
1 1 1    9    5   22 o   73.681   1.1937  729.190   23.622  664.800   49.302  748.377   26.913   70.330   2.6100   74.642   1.3424 -4.311821 2.934951 
1 1 1    9    5   23 o   40.695   0.8776  222.421   9.5926  228.484   15.803  218.884   12.071   41.242   1.4266   40.368   1.1133 0.8737488 1.809587 
1 1 1    9    5   24 o   48.242   1.0988  312.597   14.237  252.600   34.381  325.013   15.641   43.241   2.9784   49.190   1.1839 -5.948750 3.205092 
1 1 1    9    5   25 o  228.443   1.8917  7012.14  116.072  7122.11  173.871  6923.73  155.896  230.154   2.8127  226.949   2.5575 3.204880 3.801559 
1 1 1    9    5   26 o  113.610   1.1611  1733.78   35.430  1704.69   47.256  1771.13   53.543  112.643   1.5619  114.812   1.7363 -2.168533 2.335448 
1 1 1    9    5   27 o  125.820   1.1361  2126.51   38.393  2081.00   56.257  2166.19   52.528  124.449   1.6830  126.976   1.5402 -2.527130 2.281400 
1 1 1    9    5   28 o   83.667   0.9561  940.284   21.486  905.608   28.351  987.075   32.933   82.104   1.2856   85.714   1.4305 -3.609886 1.923331 
1 1 1    9    5   29 o  109.592   1.0809  1613.39   31.818  1590.73   40.754  1648.77   50.920  108.809   1.3945  110.763   1.7116 -1.954140 2.207746 
1 1 1    9    5   30 o   45.412   0.7656  276.992   9.3382  279.258   13.847  275.102   12.647   45.593   1.1307   45.253   1.0405 0.3393135 1.536626 
1 1 1    9    5   31 o  122.250   1.1716  2007.95   38.471  2031.10   54.723  1985.32   54.096  122.925   1.6574  121.532   1.6572 1.393311 2.343807 
1 1 1    9    5   32 o   34.358   0.8386  158.574   7.7388  163.718   11.867  154.767   10.208   34.905   1.2658   33.940   1.1198 0.9653816 1.690025 
1 1 1    9    5   33 o   49.875   0.7657  334.146   10.258  330.782   15.072  337.049   14.000   49.616   1.1310   50.086   1.0407 -0.4699669 1.536941 
1 1 1    9    5   34 o  167.775   1.3810  3783.77   62.233  3817.59   88.387  3750.52   87.638  168.443   1.9536  166.957   1.9543 1.486450 2.763343 
1 1 1    9    5   35 o   86.307   0.8901  1000.79   20.633  1026.06   28.149  971.465   30.330   87.374   1.1995   85.010   1.3284 2.363914 1.789778 
1 1 1    9    5   36 o  132.368   1.1923  2355.04   42.391  2355.01   52.997  2355.10   70.633  132.335   1.4910  132.268   1.9882 0.6645203E-01 2.485169 
1 1 1    9    5   37 o   62.786   0.7649  529.601   12.899  512.180   18.024  547.891   18.468   61.732   1.0870   63.848   1.0769 -2.116329 1.530153 
1 1 1    9    5   38 o   49.167   0.7999  324.792   10.564  319.117   15.915  329.262   14.124   48.720   1.2162   49.495   1.0624 -0.7746887 1.614871 
1 1 1    9    5   39 o  111.427   1.1080  1669.08   33.160  1704.75   52.735  1645.75   42.646  112.528   1.7448  110.608   1.4355 1.919998 2.259407 
1 1 1    9    5   40 o   48.730   0.8039  319.098   10.522  308.968   14.006  332.223   15.942   47.939   1.0877   49.704   1.1941 -1.765747 1.615272 
1 1 1    9    5   41 o   26.924   0.9522   97.448   6.8856  108.574   9.6175   85.747   9.8626   28.409   1.2604   25.197   1.4636 3.212118 1.931523 
1 1 1    9    5   42 f   16.227   1.3885   35.704   5.9933   32.110   8.6093   39.084   8.3484   15.270   2.1593   16.921   1.8680 -1.651085 2.855143 
1 1 1    9    5   43 o   31.908   0.9859  136.910   8.4490  139.986   10.853  132.177   13.461   32.251   1.2529   31.275   1.6079 0.9752712 2.038397 
1 1 1    9    5   44 o   25.018   1.0088   84.187   6.7786   86.522   9.5682   81.835   9.6046   25.305   1.4134   24.603   1.4600 0.7021847 2.032095 
1 1 1    9    5   45 o   84.176   0.9251  952.899   20.916  959.025   31.256  947.931   28.147   84.374   1.3792   83.908   1.2489 0.4660339 1.860671 
1 1 1    9    5   46 o   27.314   1.1413  100.416   8.3729   95.475   10.481  109.133   13.921   26.573   1.4742   28.365   1.8371 -1.792639 2.355451 
1 1 1    9    5   47 o   55.567   0.8339  415.197   12.445  421.945   20.721  411.389   15.565   55.953   1.3787   55.290   1.0481 0.6629143 1.731905 
1 1 1    9    5   48 o   21.807   1.1830   64.232   6.9029   62.145   9.9180   66.194   9.6135   21.376   1.7426   22.082   1.6325 -0.7061176 2.387832 
1 1 1    9    5   49 o   70.061   0.8514  660.273   16.022  674.496   22.866  646.555   22.456   70.754   1.2032   69.272   1.2069 1.481705 1.704232 
1 1 1    9    5   50 o   15.686   1.8579   33.782   7.6753   44.537   11.169   24.158   10.565   17.935   2.3772   13.007   3.0731 4.928389 3.885185 
1 1 1    9    5   51 o   31.333   1.3553  132.497   11.406  128.904   16.375  135.884   15.897   30.756   1.9931   31.605   1.8812 -0.8494205 2.740667 
1 1 1    9    5   52 o   9.4326   2.5344   12.578   6.5581   9.2891   9.5533   15.509   9.0190   8.8409   3.1686   10.493   3.0305 -1.651611 4.384573 
1 1 1    9    5   53 o   23.902   1.2222   77.250   7.8201   79.774   11.234   74.879   10.892   24.207   1.7394   23.449   1.7419 0.7587299 2.461665 
1 1 1    9    5   54 o   26.932   1.2078   97.824   8.7370   96.607   12.430   99.013   12.283   26.647   1.7464   26.987   1.7033 -0.3395653 2.439532 
1 1 1    9    5   55 o   15.903   1.7677   34.704   7.4227   34.978   10.770   34.455   10.244   15.770   2.6357   15.678   2.5179 0.9136200E-01 3.645127 
1 1 1    9    5   56 o   31.499   1.0799  133.786   9.1365  136.303   12.920  131.269   12.922   31.731   1.5160   31.135   1.5452 0.5962677 2.164656 
1 1 1    9    5   57 f   30.079   1.1073  122.109   8.9456  128.654   12.764  115.791   12.540   30.764   1.5498   29.168   1.6069 1.595945 2.232498 
1 1 1    9    5   58 o   26.585   1.3589   96.009   9.6706   85.176   13.855  106.300   13.504   24.838   2.0965   27.856   1.8148 -3.018410 2.772876 
1 1 1    9    5   59 o   30.187   1.3436  123.646   10.894  127.361   14.580  118.949   16.392   30.466   1.7896   29.324   2.0951 1.142307 2.755314 
1 1 1    9    5   60 o   15.639   2.4139   34.831   9.8134   28.977   12.426   44.532   15.997   13.911   3.3629   17.221   3.5755 -3.309689 4.908521 
1 1 1    9    5   61 o   9.1062   3.2705   10.830   10.182  -5.6081   14.314   27.670   14.488   7.3710   3.3427   13.382   3.8340 -6.011191 5.086620 
1 1 1    9    6  -61 o   22.652   2.2784   72.567   13.674   76.875   19.394   68.308   19.283   22.748   3.2679   21.281   3.4948 1.466986 4.784708 
1 1 1    9    6  -60 o   19.573   2.4482   54.411   12.589   56.096   17.735   52.701   17.873   19.339   3.5450   18.648   3.6989 0.6908379 5.123381 
1 1 1    9    6  -59 o   8.4902   3.0662   8.9209   8.9642   0.0407   12.458   18.455   12.909   7.6497   3.3072   11.321   3.6939 -3.670969 4.958071 
1 1 1    9    6  -58 o   20.949   1.7465   60.282   9.7374   56.984   13.165   64.267   14.469   20.135   2.4872   21.367   2.5729 -1.232363 3.578525 
1 1 1    9    6  -57 o   46.085   0.9148  286.290   11.323  278.792   15.953  293.904   16.074   45.390   1.3085   46.610   1.2840 -1.220516 1.833276 
1 1 1    9    6  -56 o   30.440   1.2494  125.171   10.215  149.310   14.596  101.999   14.301   33.176   1.6380   27.294   1.9639 5.882339 2.557325 
1 1 1    9    6  -55 o   48.079   1.0249  311.514   13.235  311.999   18.683  311.026   18.752   48.033   1.4482   47.956   1.4558 0.7677078E-01 2.053446 
1 1 1    9    6  -54 o   32.701   1.0058  144.048   8.8342  136.633   12.539  151.356   12.448   31.793   1.4684   33.474   1.3845 -1.681137 2.018224 
1 1 1    9    6  -53 o   20.287   1.3875   55.836   7.5148   53.247   10.648   58.405   10.607   19.691   2.0431   20.654   1.9345 -0.9636250 2.813665 
1 1 1    9    6  -52 o   49.294   0.8694  327.036   11.510  321.563   16.276  332.511   16.280   48.825   1.2411   49.653   1.2207 -0.8277702 1.740841 
1 1 1    9    6  -51 o   13.569   2.1532   25.636   7.5849   29.410   10.740   21.880   10.713   14.391   2.8790   12.360   3.2015 2.031577 4.305610 
1 1 1    9    6  -50 o   23.038   1.1941   71.738   7.3634   64.127   10.255   79.838   10.579   21.691   1.7757   24.243   1.6343 -2.551865 2.413308 
1 1 1    9    6  -49 o   23.683   1.1073   75.549   7.0435   67.727   10.050   83.099   9.8739   22.317   1.6892   24.764   1.4914 -2.446899 2.253361 
1 1 1    9    6  -48 o   29.758   1.0050  119.183   8.0326  137.816   12.262  105.178   10.631   31.964   1.4283   27.888   1.4240 4.075619 2.016915 
1 1 1    9    6  -47 o   59.868   0.9304  482.168   14.960  490.040   22.112  475.522   20.317   60.295   1.3654   59.410   1.2732 0.8855972 1.866902 
1 1 1    9    6  -46 o   38.089   0.9990  195.192   10.220  182.533   14.815  206.686   14.117   36.792   1.4993   39.166   1.3420 -2.374451 2.012154 
1 1 1    9    6  -45 o   55.576   0.8666  415.329   12.936  414.539   18.802  416.039   17.827   55.483   1.2617   55.591   1.1939 -0.1082535 1.737030 
1 1 1    9    6  -44 o   43.513   0.8057  254.543   9.4166  248.275   13.206  261.028   13.431   42.951   1.1447   44.041   1.1354 -1.090069 1.612317 
1 1 1    9    6  -43 o   55.584   0.8361  415.355   12.483  432.001   18.963  402.625   16.583   56.651   1.2462   54.703   1.1287 1.948723 1.681374 
1 1 1    9    6  -42 o   59.136   1.0840  470.386   17.218  473.846   26.618  467.897   22.577   59.289   1.6716   58.945   1.4260 0.3432350 2.197194 
1 1 1    9    6  -41 o   15.318   1.3656   31.832   5.5597   34.411   7.7340   29.075   7.9979   15.869   1.8492   14.526   2.1118 1.342680 2.806980 
1 1 1    9    6  -40 o   13.069   1.5304   23.307   5.2704   27.866   7.4408   18.717   7.4662   14.238   2.0010   11.551   2.4806 2.687129 3.187079 
1 1 1    9    6  -39 o   89.899   0.9743  1086.29   23.526  1090.25   30.416  1080.40   37.117   90.037   1.2577   89.598   1.5423 0.4394226 1.990143 
1 1 1    9    6  -38 o   69.558   0.7921  650.097   14.799  640.749   20.739  659.795   21.123   69.039   1.1184   70.058   1.1226 -1.018349 1.584622 
1 1 1    9    6  -37 o   63.448   0.7666  540.861   13.065  530.214   18.312  551.899   18.646   62.808   1.0855   64.079   1.0834 -1.271584 1.533620 
1 1 1    9    6  -36 o   62.337   0.7578  522.057   12.688  525.024   17.886  519.052   18.000   62.503   1.0654   62.146   1.0784 0.3570557 1.515944 
1 1 1    9    6  -35 o   79.410   1.0746  847.439   22.920  843.978   41.720  848.936   27.430   79.183   1.9616   79.468   1.2851 -0.2844238 2.345105 
1 1 1    9    6  -34 o   44.959   0.9184  271.572   11.090  272.641   14.721  270.170   16.864   45.039   1.2169   44.829   1.4006 0.2104225 1.855375 
1 1 1    9    6  -33 o   64.341   0.8758  556.156   15.135  570.831   22.690  544.391   20.316   65.170   1.2962   63.647   1.1884 1.522995 1.758571 
1 1 1    9    6  -32 o  131.272   1.1797  2315.62   41.593  2385.36   62.739  2260.92   55.557  133.187   1.7538  129.681   1.5950 3.505920 2.370668 
1 1 1    9    6  -31 o   99.937   1.0663  1341.82   28.622  1327.90   34.996  1369.95   49.744   99.406   1.3107  100.937   1.8349 -1.530975 2.254924 
1 1 1    9    6  -30 o   67.305   0.8736  608.511   15.792  600.396   21.212  618.602   23.654   66.849   1.1814   67.851   1.2979 -1.002861 1.755079 
1 1 1    9    6  -29 o   88.072   0.8971  1041.93   21.222  1065.63   29.021  1014.69   31.112   89.060   1.2132   86.902   1.3329 2.158241 1.802391 
1 1 1    9    6  -28 o  128.964   1.0630  2234.15   36.822  2260.37   50.380  2204.08   53.951  129.703   1.4462  128.072   1.5684 1.630829 2.133348 
1 1 1    9    6  -27 o  164.195   1.3481  3622.00   59.453  3665.86   78.257  3562.13   91.430  165.164   1.7641  162.789   2.0911 2.375122 2.735805 
1 1 1    9    6  -26 o  147.047   1.3444  2904.84   53.099  2886.13   68.328  2933.38   84.371  146.557   1.7358  147.730   2.1263 -1.173843 2.744879 
1 1 1    9    6  -25 o   73.568   0.9095  726.935   17.972  734.008   21.885  712.285   31.495   73.922   1.1023   72.812   1.6104 1.110474 1.951537 
1 1 1    9    6  -24 o   21.019   1.1423   59.521   6.4248   56.208   7.8046   66.486   11.316   20.405   1.4331   22.161   1.9201 -1.756126 2.396006 
1 1 1    9    6  -23 o   57.678   0.9272  446.821   14.365  437.507   18.462  461.108   22.866   57.071   1.2044   58.588   1.4531 -1.516472 1.887347 
1 1 1    9    6  -22 o  378.984   2.9341 19309.88  298.667 19259.13  421.695 19360.95  423.066  378.279   4.1504  379.277   4.1530 -0.9981384 5.871408 
1 1 1    9    6  -21 o  100.581   0.9990  1358.76   26.988  1329.38   41.862  1379.66   35.304   99.478   1.5667  101.347   1.2969 -1.868790 2.033899 
1 1 1    9    6  -20 o   75.182   0.8082  759.130   16.319  762.075   21.981  755.513   24.360   75.325   1.0865   74.999   1.2093 0.3262177 1.625661 
1 1 1    9    6  -19 o   39.758   0.7923  212.291   8.4603  218.484   14.040  208.761   10.601   40.331   1.2961   39.425   1.0011 0.9061584 1.637737 
1 1 1    9    6  -18 o  131.215   1.1110  2312.51   39.154  2341.87   55.758  2283.95   54.994  132.036   1.5722  130.394   1.5702 1.642975 2.222061 
1 1 1    9    6  -17 o  230.277   1.9928  7124.31  123.257  7053.65  193.570  7172.49  159.853  229.063   3.1462  231.023   2.5762 -1.960342 4.066372 
1 1 1    9    6  -16 o  275.386   2.6367 10191.74  195.025 10184.92  275.631 10198.58  275.982  275.198   3.7290  275.383   3.7312 -0.1843262 5.275167 
1 1 1    9    6  -15 o   97.567   0.9698  1278.52   25.415  1256.12   32.622  1313.12   40.537   96.706   1.2559   98.872   1.5265 -2.166206 1.976732 
1 1 1    9    6  -14 o  299.000   2.3301 12012.03  187.125 11904.85  263.134 12121.70  266.162  297.590   3.2921  300.287   3.3000 -2.697418 4.661306 
1 1 1    9    6  -13 o  469.571   3.6166 29643.94  456.137 29674.90  645.529 29613.06  644.622  469.561   5.1184  469.072   5.1165 0.4891968 7.237149 
1 1 1    9    6  -12 o  192.186   1.5393  4961.14   79.457  4950.02  112.135  4972.37  112.603  191.953   2.1750  192.385   2.1792 -0.4326935 3.078845 
1 1 1    9    6  -11 o  266.994   2.0903  9576.28  149.897  9480.64  210.544  9674.60  213.459  265.618   2.9512  268.320   2.9619 -2.702728 4.181168 
1 1 1    9    6  -10 o  259.903   2.0372  9073.98  142.214  8934.21  198.987  9219.90  203.324  257.860   2.8731  261.950   2.8899 -4.089508 4.075040 
1 1 1    9    6   -9 o  149.328   1.2315  2994.91   49.391  2956.83   69.321  3034.17   70.391  148.370   1.7395  150.297   1.7437 -1.927734 2.463020 
1 1 1    9    6   -8 f  112.193   0.9788  1690.51   29.494  1689.78   41.700  1691.23   41.722  112.166   1.3841  112.215   1.3843 -0.4815674E-01 1.957584 
1 1 1    9    6   -7 o  178.173   1.4362  4263.73   68.728  4243.86   96.918  4283.82   97.477  177.749   2.0300  178.583   2.0322 -0.8348846 2.872450 
1 1 1    9    6   -6 o  102.448   1.0016  1409.56   27.561  1398.97   38.894  1420.25   39.060  102.059   1.4189  102.833   1.4142 -0.7733002 2.003285 
1 1 1    9    6   -5 o  306.703   2.3850 12635.77  196.471 12626.97  277.790 12644.58  277.913  306.559   3.3737  306.772   3.3729 -0.2138062 4.770572 
1 1 1    9    6   -4 o  231.369   1.9055  7190.15  118.418  7100.51  174.218  7267.12  161.447  229.902   2.8213  232.590   2.5843 -2.687653 3.826054 
1 1 1    9    6   -3 o  378.993   3.3839 19298.26  344.460 19073.91  512.061 19483.70  465.535  376.680   5.0612  380.741   4.5523 -4.061127 6.807321 
1 1 1    9    6   -2 o  235.296   2.2709  7436.60  143.520  7379.33  202.065  7494.91  203.884  234.365   3.2100  236.193   3.2138 -1.828079 4.542340 
1 1 1    9    6   -1 o   72.245   1.2717  700.979   24.676  698.247   28.528  709.100   49.178   72.103   1.4731   72.656   2.5201 -0.5525894 2.919006 
1 1 1    9    6    0 o  609.401   4.6756 49913.37  765.300 50102.82  1085.05 49725.83  1079.56  610.309   6.6192  608.010   6.6107 2.299133 9.354965 
1 1 1    9    6    1 o  382.407   2.9542 19645.07  303.431 19764.09  430.783 19527.87  427.469  383.501   4.1821  381.203   4.1750 2.298309 5.909399 
1 1 1    9    6    2 o  173.501   1.6202  4043.05   75.503  4059.11  113.522  4030.32  101.107  173.835   2.4314  173.221   2.1732 0.6137848 3.261007 
1 1 1    9    6    3 o  500.132   3.8455 33611.04  516.569 33508.12  729.124 33714.77  731.961  499.223   5.4377  500.759   5.4421 -1.536499 7.693189 
1 1 1    9    6    4 o  205.504   1.7081  5672.23   94.280  5649.79  127.411  5699.39  140.162  205.087   2.3130  205.981   2.5334 -0.8936768 3.430505 
1 1 1    9    6    5 o  283.678   2.7105 10810.61  206.521 11024.99  418.428 10741.56  237.460  286.342   5.4405  282.757   3.1267 3.585876 6.275013 
1 1 1    9    6    6 o   49.896   0.8585  334.359   11.505  337.902   13.687  325.829   21.236   50.160   1.0160   49.254   1.6052 0.9059792 1.899734 
1 1 1    9    6    7 o  296.928   2.4153 11843.67  192.623 11884.23  261.428 11795.51  284.905  297.401   3.2728  296.273   3.5803 1.127258 4.850721 
1 1 1    9    6    8 f   74.863   0.9879  752.701   19.865  749.944   23.431  759.747   37.458   74.725   1.1674   75.208   1.8544 -0.4827347 2.191246 
1 1 1    9    6    9 o   98.214   1.0897  1295.49   28.744  1283.53   36.216  1315.87   47.253   97.757   1.3793   98.977   1.7775 -1.220551 2.249850 
1 1 1    9    6   10 o  181.606   1.6024  4429.90   78.161  4328.34   99.414  4594.31  126.485  179.503   2.0620  184.923   2.5466 -5.419830 3.276691 
1 1 1    9    6   11 o  211.497   2.0572  6008.93  116.861  5985.38  147.432  6048.73  191.675  211.064   2.6007  212.144   3.3639 -1.080734 4.251969 
1 1 1    9    6   12 o  471.135   3.9756 29845.36  503.086 29967.34  651.274 29664.89  792.189  471.907   5.1383  469.285   6.2849 2.621338 8.117994 
1 1 1    9    6   13 o  291.838   2.3777 11443.26  186.378 11522.21  253.357 11350.15  275.145  292.786   3.2217  290.567   3.5255 2.218994 4.775875 
1 1 1    9    6   14 o   81.387   0.8318  889.612   18.182  939.384   25.095  834.610   26.380   83.631   1.1172   78.828   1.2460 4.802826 1.673490 
1 1 1    9    6   15 o  214.996   1.7832  6209.50  102.973  6256.67  139.938  6153.79  152.068  215.784   2.4145  213.990   2.6458 1.793640 3.581868 
1 1 1    9    6   16 o  207.058   1.9038  5759.73  105.879  5834.21  130.820  5618.30  180.273  208.373   2.3374  204.427   3.2832 3.946350 4.030289 
1 1 1    9    6   17 o  101.858   0.9208  1393.45   25.193  1419.97   35.917  1367.78   35.346  102.818   1.3006  100.911   1.3041 1.907318 1.841770 
1 1 1    9    6   18 o  186.258   1.6417  4660.30   82.130  4589.97  115.257  4732.85  117.062  184.821   2.3218  187.675   2.3223 -2.854523 3.283860 
1 1 1    9    6   19 o  154.945   1.3984  3224.85   58.199  3178.11   91.119  3257.06   75.637  153.794   2.2059  155.706   1.8086 -1.912247 2.852503 
1 1 1    9    6   20 o  104.352   1.1417  1462.61   31.999  1504.29   52.735  1438.33   40.258  105.816   1.8555  103.478   1.4485 2.337990 2.353918 
1 1 1    9    6   21 o  183.887   1.6256  4542.54   80.291  4476.04  125.546  4588.56  104.441  182.493   2.5613  184.796   2.1042 -2.303024 3.314829 
1 1 1    9    6   22 o  415.402   3.5162 23210.37  392.314 22926.46  615.261 23404.88  509.277  412.369   5.5550  416.919   4.5479 -4.549408 7.179208 
1 1 1    9    6   23 o  189.672   1.6728  4833.23   85.220  4783.73  119.631  4884.23  121.428  188.663   2.3608  190.634   2.3715 -1.970963 3.346293 
1 1 1    9    6   24 o  112.618   1.0974  1703.57   33.195  1738.22   53.125  1681.37   42.517  113.743   1.7389  111.876   1.4149 1.866821 2.241849 
1 1 1    9    6   25 o   66.762   0.9329  598.673   16.728  607.924   23.878  589.758   23.442   67.271   1.3216   66.259   1.3172 1.012672 1.865910 
1 1 1    9    6   26 o  255.588   2.2062  8780.86  151.452  8798.82  239.691  8768.92  195.403  255.675   3.4904  255.337   2.8492 0.3381653 4.505635 
1 1 1    9    6   27 o  114.695   1.1801  1767.16   36.355  1770.88   54.442  1764.18   48.841  114.794   1.7657  114.584   1.5870 0.2101440 2.374086 
1 1 1    9    6   28 o   43.940   0.7742  259.324   9.1375  256.879   13.711  261.277   12.256   43.728   1.1674   44.103   1.0346 -0.3742409 1.559883 
1 1 1    9    6   29 o  166.055   1.3633  3704.98   60.805  3755.02   86.620  3656.36   85.376  167.130   1.9296  164.920   1.9274 2.209991 2.727326 
1 1 1    9    6   30 o   49.125   0.7903  324.157   10.428  309.414   14.588  339.565   14.913   47.990   1.1318   50.274   1.1044 -2.284340 1.581326 
1 1 1    9    6   31 o   84.681   0.8481  963.266   19.289  978.067   27.416  948.759   27.143   85.318   1.1964   84.029   1.2027 1.288223 1.696386 
1 1 1    9    6   32 o   90.555   1.0784  1101.80   26.230  1105.59   42.754  1099.51   33.216   90.674   1.7555   90.447   1.3673 0.2265320 2.225151 
1 1 1    9    6   33 o   73.681   0.8009  729.310   15.849  735.039   22.376  723.541   22.454   73.959   1.1264   73.378   1.1393 0.5812454 1.602109 
1 1 1    9    6   34 o   34.902   0.8361  163.658   7.8380  160.940   11.813  165.796   10.476   34.603   1.2710   35.124   1.1104 -0.5217896 1.687792 
1 1 1    9    6   35 o  100.613   1.0154  1360.31   27.440  1355.84   35.368  1367.07   43.490  100.427   1.3112  100.816   1.6061 -0.3890762 2.073350 
1 1 1    9    6   36 o   48.961   0.7299  322.045   9.5985  322.927   12.494  320.774   14.994   49.022   0.9489   48.852   1.1427 0.1700859 1.485339 
1 1 1    9    6   37 o   16.265   1.4731   35.873   6.3656   39.623   8.9226   31.985   9.0841   17.038   1.9871   15.237   2.2906 1.801273 3.032355 
1 1 1    9    6   38 o   42.552   0.8688  243.309   9.9290  238.013   13.989  248.685   14.095   42.073   1.2379   43.007   1.2202 -0.9336739 1.738205 
1 1 1    9    6   39 o   58.602   0.8100  461.462   12.749  462.018   19.027  461.010   17.174   58.616   1.2085   58.559   1.0919 0.5694580E-01 1.628758 
1 1 1    9    6   40 o   76.216   0.8290  780.666   16.970  770.496   23.777  791.225   24.228   75.692   1.1696   76.702   1.1760 -1.010818 1.658573 
1 1 1    9    6   41 o   16.597   1.3895   37.339   6.1375   42.822   8.1733   30.248   9.2937   17.741   1.7376   14.767   2.4276 2.974289 2.985370 
1 1 1    9    6   42 o   71.966   1.0238  696.521   19.790  686.717   25.042  712.825   32.294   71.427   1.3053   72.721   1.6534 -1.294823 2.106551 
1 1 1    9    6   43 o   35.035   0.8947  165.035   8.4189  162.994   12.365  166.799   11.495   34.793   1.3231   35.204   1.2157 -0.4109268 1.796838 
1 1 1    9    6   44 o   64.216   0.8412  554.419   14.509  555.889   21.558  553.202   19.616   64.257   1.2491   64.115   1.1391 0.1419754 1.690484 
1 1 1    9    6   45 o   87.499   0.9675  1029.83   22.739  1045.63   32.371  1014.44   31.948   88.097   1.3680   86.773   1.3708 1.324432 1.936645 
1 1 1    9    6   46 o   9.8420   2.2180   13.641   5.7230   11.919   8.1100   15.349   8.0771   9.3702   2.9136   10.440   2.8159 -1.069585 4.051906 
1 1 1    9    6   47 o   37.863   0.8595  192.809   8.7412  202.570   12.417  183.219   12.308   38.783   1.1920   36.880   1.2425 1.903336 1.721818 
1 1 1    9    6   48 o   34.885   0.9671  163.768   9.0612  160.495   13.620  166.367   12.136   34.489   1.4703   35.133   1.2861 -0.6445580 1.953455 
1 1 1    9    6   49 o   49.142   0.8507  324.878   11.228  336.681   17.694  316.921   14.528   49.965   1.3184   48.506   1.1151 1.459469 1.726777 
1 1 1    9    6   50 o   45.877   0.9122  283.272   11.240  289.699   15.046  275.157   16.907   46.356   1.2084   45.149   1.3942 1.207169 1.845039 
1 1 1    9    6   51 o   6.5764   2.6143   3.1823   6.9094   3.7086   8.9457   2.4040   10.878   7.3726   2.9599   7.7132   3.1995 -0.3405361 4.358602 
1 1 1    9    6   52 o   45.196   0.9592  275.053   11.645  272.704   18.285  276.656   15.103   44.914   1.5158   45.287   1.2416 -0.3731270 1.959375 
1 1 1    9    6   53 o   24.255   1.2115   79.343   7.8926   77.988   10.941   80.813   11.396   23.936   1.7132   24.360   1.7535 -0.4240665 2.451471 
1 1 1    9    6   54 o   24.770   1.2999   83.043   8.6177   87.028   11.437   77.810   13.107   25.291   1.6934   23.830   2.0684 1.461262 2.673200 
1 1 1    9    6   55 o   19.696   1.5969   52.876   8.3754   48.053   12.661   56.628   11.168   18.537   2.6156   20.288   2.0789 -1.750792 3.341075 
1 1 1    9    6   56 o   53.528   0.9209  386.014   13.239  403.058   19.851  372.358   17.769   54.596   1.3537   52.499   1.2601 2.096283 1.849433 
1 1 1    9    6   57 o   20.641   1.6435   58.259   9.0361   53.100   13.380   62.585   12.252   19.427   2.6321   21.260   2.1763 -1.833433 3.415252 
1 1 1    9    6   58 o   28.804   1.4269  112.626   11.040  117.280   14.378  105.941   17.232   29.236   1.8404   27.596   2.3471 1.639755 2.982615 
1 1 1    9    6   59 o   40.452   1.2121  221.778   13.170  203.978   17.129  247.513   20.596   38.645   1.6503   42.501   1.8043 -3.855370 2.445148 
1 1 1    9    6   60 o   27.218   1.4882  101.382   10.838   83.351   14.266  125.998   16.668   24.396   2.2008   30.096   2.0747 -5.699520 3.024515 
1 1 1    9    6   61 o   17.691   2.3353   44.616   10.825   62.368   18.314   35.083   13.421   20.327   3.4795   15.194   3.3762 5.132995 4.848269 
1 1 1    9    7  -60 o   12.351   3.5228   23.196   12.259   35.647   17.185   10.297   17.492   15.030   4.1298   10.206   4.1243 4.824137 5.836494 
1 1 1    9    7  -59 o   7.4898   3.0659   3.6804   9.8156  -5.0245   14.390   11.255   13.423   7.5067   3.3827   9.7808   3.7105 -2.274158 5.020982 
1 1 1    9    7  -58 o   6.7207   2.8074   1.7693   8.4592   5.2452   11.652  -2.1045   12.301   8.3173   3.3643   7.3112   3.2209 1.006099 4.657525 
1 1 1    9    7  -57 o   38.699   1.2835  202.753   13.341  211.875   21.274  196.841   17.126   39.277   2.0235   38.022   1.6770 1.254539 2.628067 
1 1 1    9    7  -56 o   26.973   1.2576   98.345   9.1113  106.560   12.192   87.953   13.712   27.969   1.6300   25.298   2.0352 2.671284 2.607498 
1 1 1    9    7  -55 o   19.367   1.6017   51.171   8.2569   52.685   12.714   50.067   10.858   19.444   2.4917   19.034   2.1624 0.4107151 3.299126 
1 1 1    9    7  -54 o   20.218   1.3595   55.465   7.3399   54.486   10.314   56.471   10.448   19.929   1.9518   20.294   1.9404 -0.3654556 2.752243 
1 1 1    9    7  -53 o   28.865   1.0731  112.282   8.3198  113.260   12.035  111.386   11.514   28.894   1.5565   28.664   1.5008 0.2304935 2.162192 
1 1 1    9    7  -52 o   11.802   2.2277   19.579   6.8026   20.728   9.6971   18.467   9.5455   12.033   3.0085   11.375   3.0582 0.6574621 4.289901 
1 1 1    9    7  -51 o   51.196   0.8490  352.725   11.675  346.120   16.408  359.499   16.616   50.661   1.2058   51.632   1.1982 -0.9711990 1.699892 
1 1 1    9    7  -50 o   57.967   0.9438  452.369   14.694  435.501   21.872  466.246   19.838   56.784   1.4341   58.793   1.2563 -2.009121 1.906515 
1 1 1    9    7  -49 o   42.010   0.9229  237.537   10.414  246.726   13.879  225.698   15.753   42.782   1.2078   40.886   1.4345 1.895348 1.875288 
1 1 1    9    7  -48 o   21.267   1.2469   61.171   7.0915   61.561   10.281   60.816   9.7944   21.252   1.8187   21.135   1.7409 0.1167965 2.517555 
1 1 1    9    7  -47 o   73.665   0.9427  730.139   18.653  729.862   26.731  730.402   26.040   73.578   1.3526   73.612   1.3170 -0.3463745E-01 1.887914 
1 1 1    9    7  -46 o   43.156   0.9022  250.511   10.457  277.275   16.684  233.193   13.421   45.356   1.3696   41.612   1.2008 3.743793 1.821435 
1 1 1    9    7  -45 o   48.378   0.8033  314.677   10.438  310.476   14.762  318.879   14.762   48.025   1.1444   48.672   1.1292 -0.6471214 1.607716 
1 1 1    9    7  -44 o   46.993   0.8677  296.948   10.952  294.517   16.214  298.987   14.853   46.764   1.2909   47.129   1.1734 -0.3651352 1.744486 
1 1 1    9    7  -43 o   29.665   0.9705  118.360   7.7323  109.418   11.614  125.479   10.363   28.451   1.5254   30.528   1.2638 -2.077581 1.980943 
1 1 1    9    7  -42 o   18.287   1.3876   45.293   6.7647   40.422   8.7434   52.557   10.677   17.197   1.9260   19.616   2.0572 -2.419525 2.818052 
1 1 1    9    7  -41 o   8.9002   2.5731   10.955   6.4990  -2.1847   10.363   19.473   8.3438   6.8203   2.9816   11.754   2.6997 -4.934147 4.022251 
1 1 1    9    7  -40 o   54.075   0.7670  392.964   11.140  396.922   15.823  389.075   15.686   54.328   1.0844   53.789   1.0858 0.5397720 1.534518 
1 1 1    9    7  -39 o   15.625   1.3177   33.075   5.4783   31.695   7.4298   34.719   8.1099   15.225   1.8553   15.933   1.9348 -0.7082157 2.680554 
1 1 1    9    7  -38 o   91.947   0.9379  1136.25   23.163  1127.04   31.079  1147.75   34.742   91.545   1.2640   92.367   1.4004 -0.8226776 1.886461 
1 1 1    9    7  -37 o   63.977   0.7690  549.926   13.214  532.338   18.428  568.543   18.960   62.930   1.0902   65.036   1.0854 -2.105045 1.538403 
1 1 1    9    7  -36 o   42.401   0.7421  241.542   8.4519  242.042   11.830  241.021   12.080   42.437   1.0378   42.347   1.0621 0.9039307E-01 1.484956 
1 1 1    9    7  -35 o  106.447   1.0182  1522.71   29.111  1501.50   42.806  1540.97   39.706  105.660   1.5084  107.053   1.3809 -1.392685 2.045019 
1 1 1    9    7  -34 o   47.082   0.9308  297.854   11.770  297.543   20.244  298.013   14.467   47.034   1.6025   47.089   1.1438 -0.5479813E-01 1.968849 
1 1 1    9    7  -33 o   74.354   0.8035  742.719   16.046  736.417   22.582  749.146   22.803   74.025   1.1358   74.662   1.1371 -0.6369629 1.607194 
1 1 1    9    7  -32 f   27.709   0.9332  103.154   6.9450   91.360   11.568  109.800   8.6843   26.012   1.6645   28.585   1.1311 -2.572863 2.012417 
1 1 1    9    7  -31 o   37.402   0.7752  187.920   7.7876  198.930   10.526  174.603   11.575   38.479   1.0184   36.047   1.1956 2.432499 1.570562 
1 1 1    9    7  -30 o   89.324   0.9962  1071.92   23.901  1062.80   29.276  1090.15   41.386   88.935   1.2256   90.049   1.7111 -1.113457 2.104784 
1 1 1    9    7  -29 o   68.756   0.8717  635.024   16.098  646.011   19.861  613.986   27.484   69.344   1.0664   67.591   1.5139 1.753036 1.851743 
1 1 1    9    7  -28 o  105.605   1.1668  1498.28   33.096  1513.71   38.568  1455.19   64.463  106.140   1.3529  104.018   2.3073 2.122047 2.674689 
1 1 1    9    7  -27 o   67.174   0.7836  606.082   14.138  615.676   17.817  589.775   23.230   67.701   0.9798   66.256   1.3054 1.445320 1.632191 
1 1 1    9    7  -26 o   28.525   0.7875  109.289   6.0337  107.573   8.3365  111.178   8.7439   28.299   1.0968   28.769   1.1316 -0.4700813 1.575910 
1 1 1    9    7  -25 o  180.339   1.5271  4369.50   73.967  4359.11   99.926  4382.10  110.011  180.091   2.0658  180.550   2.2685 -0.4592133 3.068207 
1 1 1    9    7  -24 o  132.117   1.3016  2344.81   46.189  2307.40   55.882  2425.50   82.059  131.050   1.5876  134.331   2.2744 -3.281403 2.773662 
1 1 1    9    7  -23 o  152.140   1.5481  3109.64   63.262  3192.59   81.153  2981.15  101.002  154.139   1.9602  148.917   2.5252 5.220978 3.196701 
1 1 1    9    7  -22 o  156.934   1.3519  3308.33   56.986  3241.55   76.060  3393.80   86.040  155.326   1.8231  158.923   2.0157 -3.597488 2.717861 
1 1 1    9    7  -21 o  141.010   1.1817  2670.79   44.755  2588.50   62.163  2759.36   64.486  138.808   1.6674  143.315   1.6753 -4.507813 2.363590 
1 1 1    9    7  -20 o   81.298   0.8782  887.701   19.176  905.968   30.228  875.399   24.807   82.125   1.3704   80.730   1.1440 1.394569 1.785144 
1 1 1    9    7  -19 o  136.531   1.2559  2503.83   46.054  2446.34   64.303  2564.38   65.991  134.942   1.7742  138.159   1.7783 -3.217285 2.511984 
1 1 1    9    7  -18 o   59.371   0.7638  473.411   12.179  479.354   17.234  467.483   17.214   59.741   1.0741   58.996   1.0863 0.7444572 1.527670 
1 1 1    9    7  -17 o  249.097   1.9593  8336.42  131.087  8305.33  184.943  8367.82  185.831  248.580   2.7700  249.513   2.7729 -0.9333191 3.919411 
1 1 1    9    7  -16 o  213.557   1.6973  6126.62   97.355  6130.62  137.805  6122.63  137.558  213.594   2.4021  213.454   2.3993 0.1389771 3.395089 
1 1 1    9    7  -15 o  202.483   1.9762  5508.28  107.477  5354.02  149.286  5674.27  154.857  199.587   2.7848  205.469   2.8060 -5.881317 3.953347 
1 1 1    9    7  -14 o  241.378   2.3272  7828.76  150.874  8271.88  220.935  7441.54  206.531  248.046   3.3162  235.271   3.2683 12.77498 4.656070 
1 1 1    9    7  -13 o  376.961   2.9167 19099.21  295.316 18835.43  413.647 19373.41  421.750  374.196   4.1157  379.499   4.1376 -5.302917 5.835982 
1 1 1    9    7  -12 o  231.157   1.9063  7178.31  118.359  7037.04  173.172  7302.16  162.142  228.826   2.8176  233.110   2.5897 -4.283875 3.826912 
1 1 1    9    7  -11 o  216.614   1.7942  6303.14  104.389  6392.42  142.471  6199.64  153.389  218.118   2.4319  214.793   2.6588 3.324829 3.603210 
1 1 1    9    7  -10 o   83.468   0.8035  935.682   18.014  925.373   25.266  946.341   25.692   83.005   1.1333   83.940   1.1396 -0.9350510 1.607146 
1 1 1    9    7   -9 o  202.856   1.6164  5527.41   88.072  5374.76  122.394  5691.31  126.830  200.016   2.2783  205.822   2.2942 -5.805283 3.233261 
1 1 1    9    7   -8 o  185.676   1.4913  4630.64   74.372  4680.21  105.837  4582.28  104.531  186.653   2.1111  184.690   2.1072 1.963058 2.982805 
1 1 1    9    7   -7 o  194.666   1.6252  5089.96   84.973  5113.16  115.379  5062.47  125.613  195.095   2.2019  194.120   2.4092 0.9753723 3.263807 
1 1 1    9    7   -6 o  172.579   1.4591  4000.31   67.634  4030.42   91.946  3964.82   99.837  173.218   1.9763  171.799   2.1636 1.419388 2.930344 
1 1 1    9    7   -5 o   61.332   0.9102  505.185   14.994  500.587   17.695  516.897   28.239   61.051   1.0791   62.035   1.6948 -0.9835358 2.009183 
1 1 1    9    7   -4 o  173.416   1.5371  4039.22   71.596  4028.48   92.260  4055.48  113.519  173.178   1.9835  173.748   2.4325 -0.5700989 3.138692 
1 1 1    9    7   -3 o  246.665   1.9380  8172.68  128.399  8316.70  183.669  8035.01  179.569  248.805   2.7484  244.555   2.7338 4.249390 3.876507 
1 1 1    9    7   -2 o  163.308   1.4570  3581.98   63.910  3539.15  100.381  3611.18   82.879  162.315   2.3025  163.966   1.8819 -1.650955 2.973733 
1 1 1    9    7   -1 o  303.598   2.5884 12382.46  211.066 12716.39  303.618 12070.15  293.618  307.612   3.6748  299.695   3.6476 7.916718 5.177768 
1 1 1    9    7    0 o  519.165   4.3728 36231.80  609.756 36835.36  974.562 35843.54  781.653  523.091   6.9365  516.212   5.6376 6.879150 8.938538 
1 1 1    9    7    1 o  127.697   1.2500  2190.06   42.874  2172.59   57.269  2212.33   64.670  127.183   1.6765  128.338   1.8761 -1.155533 2.516010 
1 1 1    9    7    2 o  446.007   3.7649 26733.86  451.009 26585.71  635.802 26883.90  639.864  444.608   5.3242  447.095   5.3284 -2.485992 7.532506 
1 1 1    9    7    3 o  260.801   2.3599  9137.05  165.309  9492.26  254.211  8876.78  217.600  265.772   3.5612  257.030   3.1520 8.742340 4.755721 
1 1 1    9    7    4 o  217.256   1.8852  6339.99  110.007  6453.77  175.870  6266.87  140.993  219.164   2.9876  215.985   2.4304 3.178940 3.851366 
1 1 1    9    7    5 o   83.249   0.8023  930.748   17.939  926.242   25.389  935.240   25.351   83.045   1.1382   83.448   1.1311 -0.4024048 1.604652 
1 1 1    9    7    6 o  230.380   1.8180  7129.13  112.494  7060.41  158.231  7199.36  159.963  229.244   2.5698  231.488   2.5728 -2.244705 3.636348 
1 1 1    9    7    7 o  127.435   1.1278  2181.08   38.601  2194.50   52.526  2165.33   56.919  127.822   1.5299  126.967   1.6691 0.8540192 2.264183 
1 1 1    9    7    8 o   87.140   0.9548  1019.81   22.346  1019.08   29.922  1020.73   33.601   87.106   1.2790   87.176   1.4350 -0.6922150E-01 1.922250 
1 1 1    9    7    9 o  402.701   3.2481 21795.48  351.319 21489.81  471.210 22178.07  527.168  399.738   4.3888  406.028   4.8339 -6.289215 6.529057 
1 1 1    9    7   10 o  254.797   2.0890  8721.72  142.962  8734.47  193.729  8706.47  211.840  254.946   2.8291  254.520   3.0988 0.4253082 4.196016 
1 1 1    9    7   11 o  181.162   1.6003  4408.51   77.868  4379.13  100.021  4453.72  124.065  180.544   2.0626  182.058   2.5372 -1.514145 3.269792 
1 1 1    9    7   12 o  193.046   1.6948  5006.08   87.875  5024.33  113.589  4978.87  138.680  193.380   2.1869  192.482   2.6825 0.8980865 3.460951 
1 1 1    9    7   13 o   71.132   0.8616  679.544   16.462  683.107   20.033  672.138   28.885   71.317   1.0458   70.737   1.5203 0.5791092 1.845306 
1 1 1    9    7   14 o  298.394   2.5486 11965.32  204.260 12060.13  264.973 11826.46  320.664  299.509   3.2938  296.514   4.0264 2.995117 5.202008 
1 1 1    9    7   15 o   80.731   1.0379  875.363   22.506  880.953   29.790  867.931   34.352   80.985   1.3696   80.381   1.5911 0.6035080 2.099383 
1 1 1    9    7   16 o  209.478   1.9255  5895.34  108.334  5988.25  163.878  5823.22  144.380  211.070   2.8907  208.160   2.5824 2.910126 3.876187 
1 1 1    9    7   17 o  208.601   1.9191  5846.15  107.526  5946.78  162.827  5768.33  143.189  210.336   2.8822  207.175   2.5732 3.160934 3.863738 
1 1 1    9    7   18 o  120.706   1.0904  1956.94   35.350  1987.63   48.231  1921.31   51.962  121.642   1.4762  119.593   1.6177 2.049309 2.190001 
1 1 1    9    7   19 o  295.091   2.3025 11701.56  182.494 11762.32  258.906 11641.56  257.272  295.764   3.2592  294.242   3.2553 1.521759 4.606442 
1 1 1    9    7   20 o  276.918   2.3741 10305.42  176.581 10385.98  280.509 10252.55  227.260  277.852   3.7587  276.142   3.0641 1.709900 4.849391 
1 1 1    9    7   21 o  173.900   1.5476  4062.57   72.285  4073.47  114.213  4055.28   93.364  174.093   2.4425  173.726   2.0009 0.3665619 3.157461 
1 1 1    9    7   22 o  244.048   1.9247  8002.80  126.165  8056.62  179.144  7949.84  177.714  244.803   2.7245  243.176   2.7209 1.627335 3.850497 
1 1 1    9    7   23 o   67.786   0.8261  617.140   15.040  615.780   21.196  618.519   21.344   67.707   1.1655   67.858   1.1711 -0.1503296 1.652226 
1 1 1    9    7   24 o  124.604   1.1780  2085.59   39.424  2071.37   50.706  2107.31   62.691  124.169   1.5204  125.229   1.8638 -1.060165 2.405298 
1 1 1    9    7   25 o   66.992   0.8785  602.805   15.808  606.519   21.352  598.302   23.516   67.194   1.1831   66.736   1.3119 0.4587555 1.766585 
1 1 1    9    7   26 o  217.164   1.8078  6337.86  105.446  6206.29  154.275  6453.21  144.456  214.810   2.6739  219.067   2.4551 -4.257614 3.630063 
1 1 1    9    7   27 o   59.908   0.8195  482.053   13.186  505.711   21.532  467.857   16.679   61.352   1.3066   59.016   1.0523 2.336620 1.677657 
1 1 1    9    7   28 o  173.385   1.5514  4039.91   72.248  4039.15  114.273  4040.41   93.250  173.282   2.4553  173.357   2.0027 -0.7533264E-01 3.168459 
1 1 1    9    7   29 o   81.111   0.9073  883.761   19.766  914.321   28.354  854.869   27.569   82.491   1.2797   79.764   1.2868 2.727196 1.814848 
1 1 1    9    7   30 o   58.088   0.7800  453.250   12.170  452.530   16.359  454.142   18.211   58.037   1.0495   58.137   1.1662 -0.1005058 1.568893 
1 1 1    9    7   31 o  183.786   1.4921  4540.42   73.655  4559.13  104.404  4521.88  103.927  184.077   2.1117  183.324   2.1107 0.7532806 2.985633 
1 1 1    9    7   32 f   62.455   0.7527  523.983   12.626  544.191   18.042  504.589   17.675   63.640   1.0555   61.280   1.0738 2.359905 1.505732 
1 1 1    9    7   33 o   70.047   0.7838  659.149   14.746  661.708   20.737  656.530   20.974   70.171   1.1003   69.896   1.1172 0.2758255 1.568042 
1 1 1    9    7   34 o   46.212   0.8118  286.903   10.076  301.498   13.724  269.841   14.839   47.365   1.0788   44.805   1.2331 2.560383 1.638376 
1 1 1    9    7   35 o   58.277   0.7841  456.275   12.273  469.810   16.731  440.504   18.060   59.125   1.0535   57.247   1.1745 1.878761 1.577797 
1 1 1    9    7   36 o   33.125   0.8297  147.430   7.3818  143.348   10.368  151.627   10.512   32.655   1.1821   33.585   1.1653 -0.9301376 1.659941 
1 1 1    9    7   37 o   18.677   1.1032   47.054   5.5095   47.995   7.8233   46.128   7.7602   18.822   1.5616   18.448   1.5815 0.3744068 2.222512 
1 1 1    9    7   38 o   53.206   0.8968  380.442   12.816  363.685   19.171  393.983   17.234   51.996   1.3727   54.130   1.1853 -2.133961 1.813658 
1 1 1    9    7   39 o   18.294   1.2588   45.228   6.1475   56.938   7.7727   25.667   10.046   20.521   1.4189   13.519   2.8562 7.002549 3.189243 
1 1 1    9    7   40 o   30.057   0.9956  121.461   8.0373  106.091   11.224  137.639   11.515   28.031   1.4962   31.981   1.3405 -3.950090 2.008859 
1 1 1    9    7   41 o   82.128   1.0008  907.009   22.076  892.805   29.379  925.430   33.458   81.439   1.3431   82.889   1.5028 -1.449921 2.015566 
1 1 1    9    7   42 o   97.465   0.9450  1277.39   24.738  1284.39   35.027  1270.42   34.942   97.668   1.3352   97.134   1.3393 0.5334091 1.891187 
1 1 1    9    7   43 o   30.979   0.9853  129.081   8.1982  126.596   10.325  133.319   13.486   30.664   1.2536   31.403   1.6042 -0.7381020 2.035966 
1 1 1    9    7   44 o   83.692   0.9942  942.231   22.348  954.886   30.428  927.410   32.929   84.193   1.3456   82.947   1.4780 1.246468 1.998779 
1 1 1    9    7   45 o   35.557   0.9031  170.037   8.6244  173.938   12.686  166.686   11.760   35.932   1.3144   35.181   1.2446 0.7513466 1.810156 
1 1 1    9    7   46 o   19.529   1.2382   51.575   6.4609   64.261   9.2310   39.393   9.0461   21.764   1.5901   16.941   2.0284 4.822823 2.577403 
1 1 1    9    7   47 o   45.153   0.8355  274.204   10.133  265.617   14.302  282.858   14.358   44.405   1.1991   45.827   1.1664 -1.422268 1.672862 
1 1 1    9    7   48 o   25.808   1.1640   89.732   8.0687   79.049   12.516   97.329   10.555   24.077   1.9523   26.813   1.4712 -2.736097 2.444518 
1 1 1    9    7   49 o   9.4495   2.5359   12.608   6.5703   11.534   8.9632   13.857   9.6594   9.3424   3.0795   10.080   3.1866 -0.7380123 4.431467 
1 1 1    9    7   50 o   28.799   1.1218  111.772   8.6773   96.198   13.153  123.772   11.546   26.574   1.8545   30.274   1.4200 -3.699404 2.335662 
1 1 1    9    7   51 o   10.210   2.4995   14.810   6.7991   16.752   9.5077   12.777   9.7267   10.878   3.1024   9.7785   3.2072 1.099263 4.462189 
1 1 1    9    7   52 o   28.605   1.1157  110.292   8.5718  122.014   12.300   99.221   11.953   30.000   1.5315   27.023   1.6548 2.977209 2.254726 
1 1 1    9    7   53 o   22.017   1.3755   65.722   8.0935   70.601   10.676   59.128   12.411   22.756   1.7603   20.705   2.2689 2.051373 2.871722 
1 1 1    9    7   54 o   16.112   1.8452   35.687   7.8413   45.626   12.057   28.402   10.323   18.077   2.5544   14.129   2.8190 3.948244 3.804140 
1 1 1    9    7   55 o   37.440   0.9898  188.913   9.9540  176.703   13.832  202.027   14.335   36.143   1.4249   38.654   1.3808 -2.511677 1.984141 
1 1 1    9    7   56 o   46.293   0.9371  288.847   11.651  288.260   16.041  289.503   16.951   46.170   1.2935   46.252   1.3645 -0.8154678E-01 1.880200 
1 1 1    9    7   57 o   14.798   2.6193   31.211   10.030   20.992   13.478   43.892   15.014   12.054   3.7574   17.355   3.3422 -5.300795 5.028743 
1 1 1    9    7   58 o   14.798   2.3892   31.071   9.1726   21.462   13.165   40.137   12.788   12.083   3.7047   16.652   2.9680 -4.569543 4.746967 
1 1 1    9    7   59 o   19.849   1.9378   54.736   10.199   43.017   13.377   71.009   15.762   17.167   3.0109   22.317   2.6834 -5.150391 4.033174 
1 1 1    9    7   60 o   6.0771   2.7764  -5.4555   10.108 -15.2949   16.497   0.4597   12.791   7.0344   3.3232   7.7290   3.3463 -0.6945610 4.716051 
1 1 1    9    8  -60 o   9.4742   3.5647   11.192   12.328   11.683   17.668   10.726   17.210   10.379   4.1622   10.162   4.0963 0.2168398 5.839787 
1 1 1    9    8  -59 o   9.9667   3.5165   13.493   11.722   1.0701   15.914   28.228   17.331   8.6177   3.7318   13.498   4.2686 -4.880289 5.669816 
1 1 1    9    8  -58 o   23.240   1.5553   73.973   9.6523   74.636   13.224   73.217   14.121   23.142   2.1522   22.847   2.3339 0.2951260 3.174748 
1 1 1    9    8  -57 o   22.563   1.7479   69.905   10.510   51.946   17.425   80.175   13.177   18.760   3.5891   24.075   2.0575 -5.315180 4.137029 
1 1 1    9    8  -56 o   17.357   2.1745   41.940   9.9153   44.505   12.502   37.591   16.279   17.723   2.7125   15.899   3.8526 1.824459 4.711699 
1 1 1    9    8  -55 o   31.955   1.2058  137.916   10.349  132.981   14.328  143.299   14.965   31.243   1.7139   32.433   1.7241 -1.190134 2.431036 
1 1 1    9    8  -54 o   44.292   0.8985  264.197   10.688  258.129   14.986  270.480   15.249   43.719   1.2762   44.754   1.2686 -1.035221 1.799444 
1 1 1    9    8  -53 f   28.100   1.0944  106.440   8.2595  116.258   11.868   97.219   11.502   29.278   1.5144   26.749   1.6084 2.528961 2.209116 
1 1 1    9    8  -52 o   24.152   1.2183   78.887   7.8776   64.912   11.205   92.546   11.077   21.779   1.9357   26.104   1.5874 -4.325607 2.503364 
1 1 1    9    8  -51 o   32.675   0.9235  143.749   8.1052  149.377   12.040  139.085   10.961   33.261   1.3478   32.104   1.2711 1.156635 1.852613 
1 1 1    9    8  -50 o   41.922   0.9012  236.575   10.147  224.414   13.978  250.127   14.755   40.782   1.2761   43.055   1.2759 -2.273041 1.804543 
1 1 1    9    8  -49 o   46.491   1.1266  291.292   14.068  299.875   18.209  278.584   22.158   47.119   1.4388   45.339   1.8196 1.780693 2.319680 
1 1 1    9    8  -48 o   13.961   1.8282   26.837   6.6906   21.641   9.9405   31.141   9.0464   12.312   3.0272   14.955   2.3278 -2.643107 3.818722 
1 1 1    9    8  -47 o   10.528   2.3068   15.643   6.3426   13.921   8.8283   17.480   9.1184   10.029   3.0253   11.107   2.9903 -1.077809 4.253700 
1 1 1    9    8  -46 o   53.503   0.8760  385.050   12.588  383.110   19.472  386.442   16.499   53.308   1.3600   53.569   1.1467 -0.2612495 1.778896 
1 1 1    9    8  -45 o   19.233   1.2215   50.019   6.2774   42.655   8.8365   57.521   8.9193   17.662   1.8922   20.580   1.6269 -2.918011 2.495416 
1 1 1    9    8  -44 o   16.901   1.4525   38.787   6.5295   37.754   10.125   39.522   8.5435   16.525   2.3471   16.995   1.9044 -0.4700794 3.022491 
1 1 1    9    8  -43 o   63.624   0.8550  544.301   14.612  556.510   21.858  534.438   19.646   64.285   1.2659   63.011   1.1608 1.274063 1.717598 
1 1 1    9    8  -42 o   17.786   1.3693   42.860   6.4910   50.024   8.4394   32.484   10.157   19.188   1.6537   15.271   2.5673 3.916973 3.053765 
1 1 1    9    8  -41 o   93.095   0.9572  1165.45   23.934  1167.57   32.374  1162.89   35.541   93.129   1.2943   92.918   1.4241 0.2104263 1.924358 
1 1 1    9    8  -40 o   65.761   0.9332  581.409   16.483  578.613   24.828  583.613   22.042   65.555   1.4101   65.856   1.2461 -0.3011169 1.881787 
1 1 1    9    8  -39 o   64.248   0.7827  554.723   13.506  549.764   18.899  559.900   19.309   63.938   1.1005   64.524   1.1142 -0.5855827 1.566024 
1 1 1    9    8  -38 o   61.410   0.8855  506.845   14.606  498.764   17.774  523.652   25.632   60.907   1.0865   62.372   1.5300 -1.465408 1.876565 
1 1 1    9    8  -37 o   45.373   0.7797  276.621   9.5019  273.221   12.642  281.036   14.405   45.084   1.0440   45.718   1.1731 -0.6345024 1.570402 
1 1 1    9    8  -36 o   25.804   0.8846   89.477   6.1308   86.401   8.4884   92.831   8.8644   25.349   1.2467   26.275   1.2560 -0.9261856 1.769740 
1 1 1    9    8  -35 o   36.208   0.7647  176.140   7.4368  168.883   10.303  184.033   10.745   35.447   1.0822   37.003   1.0812 -1.555855 1.529701 
1 1 1    9    8  -34 o  180.183   1.4713  4366.17   71.204  4394.37  110.575  4346.19   93.069  180.585   2.2797  179.679   1.9285 0.9063416 2.985989 
1 1 1    9    8  -33 o   85.173   1.0340  974.872   23.656  1068.15   47.658  944.379   27.249   89.077   1.9920   83.821   1.2104 5.256470 2.330844 
1 1 1    9    8  -32 o  126.119   1.2655  2137.97   42.868  2202.79   65.226  2088.67   56.877  127.947   1.8980  124.613   1.6993 3.334061 2.547589 
1 1 1    9    8  -31 o   64.488   0.7909  558.665   13.700  584.943   18.768  528.692   20.044   65.979   1.0591   62.722   1.1898 3.257088 1.592860 
1 1 1    9    8  -30 o   87.082   0.8916  1018.74   20.855  1020.64   28.145  1016.43   31.057   87.151   1.2024   86.965   1.3296 0.1857681 1.792632 
1 1 1    9    8  -29 o   55.920   0.9613  420.088   14.438  427.068   17.788  406.612   24.716   56.377   1.1747   54.996   1.6732 1.381409 2.044434 
1 1 1    9    8  -28 o  100.996   1.0714  1370.34   29.065  1364.20   39.055  1377.96   43.513  100.754   1.4432  101.253   1.6000 -0.4987717 2.154699 
1 1 1    9    8  -27 o  167.448   1.5030  3767.92   67.599  3733.04   86.744  3821.84  107.872  166.636   1.9381  168.561   2.3826 -1.924530 3.071369 
1 1 1    9    8  -26 f   60.037   0.7595  484.127   12.247  503.284   17.983  467.558   16.725   61.208   1.0939   58.997   1.0555 2.211880 1.520052 
1 1 1    9    8  -25 o  229.082   1.8164  7052.77  111.764  7116.85  158.883  6990.00  157.246  230.036   2.5715  227.977   2.5680 2.058899 3.634196 
1 1 1    9    8  -24 o   46.307   0.7747  288.008   9.6360  298.078   13.490  277.517   13.769   47.107   1.0662   45.453   1.1278 1.654335 1.552036 
1 1 1    9    8  -23 o  133.284   1.2418  2386.35   44.455  2401.83   62.972  2370.98   62.766  133.697   1.7536  132.835   1.7592 0.8615417 2.483950 
1 1 1    9    8  -22 o  254.381   2.4528  8698.69  167.589  8726.45  193.749  8616.21  333.968  254.745   2.8317  252.799   4.9186 1.945465 5.675431 
1 1 1    9    8  -21 o  159.417   1.5148  3414.14   64.862  3420.09   79.369  3402.18  112.544  159.543   1.8522  159.083   2.6339 0.4595795 3.219969 
1 1 1    9    8  -20 o  186.656   1.5725  4680.52   78.836  4688.83  106.744  4670.56  116.933  186.795   2.1276  186.419   2.3354 0.3760376 3.159199 
1 1 1    9    8  -19 o  136.525   1.2592  2503.67   46.176  2498.95   72.559  2506.89   59.862  136.376   1.9809  136.603   1.6315 -0.2276611 2.566290 
1 1 1    9    8  -18 o  182.851   1.4756  4491.32   72.470  4409.48  101.274  4577.21  103.746  181.154   2.0814  184.566   2.0928 -3.412735 2.951630 
1 1 1    9    8  -17 o   60.871   0.7037  497.631   11.505  496.796   16.177  498.486   16.366   60.818   0.9903   60.921   1.0002 -0.1032906 1.407542 
1 1 1    9    8  -16 o  382.231   2.9566 19640.19  303.539 19509.09  427.283 19773.75  431.283  380.765   4.1780  383.337   4.1888 -2.572144 5.916202 
1 1 1    9    8  -15 o  118.024   1.3310  1871.08   42.193  1876.33   55.982  1864.16   64.198  118.182   1.7636  117.791   2.0292 0.3906326 2.688470 
1 1 1    9    8  -14 o  357.425   3.0335 17173.73  291.216 17023.08  373.810 17406.34  464.486  355.737   3.9123  359.567   4.8095 -3.830200 6.199784 
1 1 1    9    8  -13 o   19.807   0.9456   52.693   5.0306   45.092   6.6522   62.846   7.6884   18.271   1.3654   21.589   1.3324 -3.318277 1.907770 
1 1 1    9    8  -12 o  168.397   1.4997  3809.20   67.830  3732.95  105.713  3862.55   88.434  166.675   2.3614  169.559   1.9418 -2.884460 3.057244 
1 1 1    9    8  -11 f  289.912   2.4788 11294.15  193.015 11049.25  300.460 11466.23  251.856  286.625   3.9028  292.053   3.2107 -5.428162 5.053780 
1 1 1    9    8  -10 o   76.852   0.8073  793.228   16.663  807.719   22.651  776.136   24.600   77.549   1.0875   76.016   1.2049 1.532242 1.623049 
1 1 1    9    8   -9 o  226.358   1.9603  6883.47  119.179  6996.19  155.481  6722.90  185.573  228.176   2.5370  223.643   3.0894 4.533096 3.997542 
1 1 1    9    8   -8 o  296.500   2.5318 11812.92  201.627 11910.89  261.638 11669.65  316.389  297.671   3.2724  294.573   3.9989 3.098053 5.167180 
1 1 1    9    8   -7 o  189.995   1.6694  4848.97   85.191  4856.05  110.015  4838.36  134.634  190.119   2.1544  189.754   2.6416 0.3650970 3.408785 
1 1 1    9    8   -6 o  300.281   2.4425 12115.03  196.994 12154.04  267.289 12068.64  291.463  300.704   3.3094  299.620   3.6218 1.084167 4.906042 
1 1 1    9    8   -5 o  134.292   1.2351  2422.20   44.548  2492.00   58.503  2325.86   68.727  136.208   1.5991  131.583   1.9446 4.624786 2.517685 
1 1 1    9    8   -4 o  133.054   1.2264  2377.75   43.830  2385.33   62.179  2370.27   61.792  133.259   1.7372  132.837   1.7319 0.4213562 2.453034 
1 1 1    9    8   -3 o  123.049   1.0518  2033.55   34.763  2044.05   49.349  2023.21   48.977  123.362   1.4894  122.731   1.4858 0.6301880 2.103748 
1 1 1    9    8   -2 o  207.105   1.6472  5761.33   91.626  5847.33  130.840  5678.58  128.352  208.625   2.3350  205.592   2.3244 3.032166 3.294657 
1 1 1    9    8   -1 o  226.972   2.3484  6921.01  143.165  7120.39  192.849  6676.23  213.682  230.185   3.1192  222.867   3.5697 7.317780 4.740493 
1 1 1    9    8    0 o  176.826   1.6482  4199.85   78.281  4154.51  116.739  4236.90  105.521  175.849   2.4716  177.591   2.2122 -1.742355 3.317055 
1 1 1    9    8    1 o  307.097   2.7592 12671.79  227.592 12795.58  343.643 12575.06  303.762  308.492   4.1474  305.859   3.6976 2.633148 5.556332 
1 1 1    9    8    2 o  370.740   3.3117 18472.71  329.772 18568.60  496.326 18396.93  441.254  371.524   4.9738  369.866   4.4417 1.657318 6.668406 
1 1 1    9    8    3 o  139.698   1.1654  2621.12   43.730  2590.57   61.499  2652.36   62.193  138.875   1.6487  140.522   1.6478 -1.646591 2.331002 
1 1 1    9    8    4 o  194.927   1.5586  5103.66   81.603  5061.62  114.852  5146.52  115.965  194.105   2.2030  195.726   2.2059 -1.620941 3.117556 
1 1 1    9    8    5 o  102.476   0.9179  1410.38   25.265  1405.26   35.707  1415.51   35.752  102.287   1.2997  102.659   1.2966 -0.3724213 1.835878 
1 1 1    9    8    6 o   90.124   1.0248  1090.89   24.807  1133.15   41.143  1066.74   31.095   91.847   1.6678   89.119   1.2991 2.728020 2.113997 
1 1 1    9    8    7 o  276.956   2.1639 10305.12  160.967 10426.85  229.366 10186.99  225.956  278.532   3.0659  275.310   3.0557 3.221649 4.328643 
1 1 1    9    8    8 o  103.708   0.9266  1444.51   25.810  1436.93   36.385  1452.18   36.619  103.432   1.3097  103.979   1.3112 -0.5472260 1.853265 
1 1 1    9    8    9 o   95.993   1.1496  1237.64   29.640  1206.90   38.762  1280.92   45.995   94.789   1.5225   97.649   1.7537 -2.860085 2.322357 
1 1 1    9    8   10 o  239.288   1.9698  7692.52  126.603  7561.99  169.362  7857.83  190.601  237.213   2.6582  241.791   2.9349 -4.577484 3.959756 
1 1 1    9    8   11 f  221.510   1.9228  6591.81  114.398  6592.33  147.624  6591.03  180.996  221.492   2.4815  221.437   3.0432 0.5537415E-01 3.926652 
1 1 1    9    8   12 o  146.469   1.4892  2881.74   58.585  2824.39   81.691  2942.48   84.064  144.988   2.0977  147.988   2.1149 -2.999649 2.978808 
1 1 1    9    8   13 o  160.034   1.8520  3440.70   79.605  3437.09   97.353  3447.99  138.284  159.936   2.2663  160.145   3.2149 -0.2091675 3.933381 
1 1 1    9    8   14 o  126.933   1.5275  2164.31   52.077  2243.77   64.915  2020.84   87.228  129.234   1.8701  122.622   2.6485 6.611206 3.242189 
1 1 1    9    8   15 o  198.366   1.7394  5286.18   92.673  5242.05  118.874  5354.57  147.972  197.514   2.2408  199.594   2.7602 -2.080048 3.555224 
1 1 1    9    8   16 o   51.175   0.9118  351.742   12.533  336.906   16.085  374.669   19.996   50.083   1.1958   52.813   1.4096 -2.730663 1.848504 
1 1 1    9    8   17 o  316.965   2.7025 13503.86  230.072 13536.85  297.377 13454.67  363.128  317.261   3.4898  316.183   4.2759 1.077789 5.519239 
1 1 1    9    8   18 o  185.810   1.5646  4638.02   78.083  4711.20  106.656  4553.49  114.626  187.247   2.1207  184.076   2.3184 3.170670 3.142040 
1 1 1    9    8   19 o  237.131   2.1620  7556.19  137.698  7480.14  204.853  7618.86  185.981  235.847   3.2339  238.054   2.9087 -2.207626 4.349530 
1 1 1    9    8   20 o   99.909   0.9585  1340.68   25.722  1342.85   34.756  1338.06   38.247   99.985   1.2942   99.803   1.4268 0.1812744 1.926327 
1 1 1    9    8   21 o  153.763   1.2723  3175.91   52.547  3240.88   75.105  3113.61   73.545  155.309   1.8004  152.229   1.7987 3.079956 2.544997 
1 1 1    9    8   22 o  134.331   1.2468  2423.95   44.985  2432.00   58.169  2411.97   70.958  134.542   1.6097  133.973   1.9719 0.5691833 2.545496 
1 1 1    9    8   23 o   16.434   1.1718   36.462   5.1382   38.707   6.5176   32.775   8.3517   16.912   1.4488   15.480   2.0598 1.431468 2.518295 
1 1 1    9    8   24 o  214.647   1.7855  6191.34  102.938  6109.47  151.284  6261.92  140.468  213.143   2.6426  215.809   2.4234 -2.666565 3.585515 
1 1 1    9    8   25 o  168.502   1.5905  3815.19   71.983  3791.36   96.129  3845.61  108.608  167.938   2.1312  169.113   2.3911 -1.175201 3.202971 
1 1 1    9    8   26 f   91.756   0.9162  1130.90   22.579  1146.63   33.656  1118.03   30.447   92.381   1.3564   91.225   1.2426 1.155937 1.839545 
1 1 1    9    8   27 o   72.291   0.8197  701.965   15.915  703.764   23.612  700.468   21.545   72.376   1.2146   72.208   1.1109 0.1672211 1.646002 
1 1 1    9    8   28 o   28.352   0.9888  107.986   7.5301  113.123   11.129  103.648   10.227   29.014   1.4281   27.773   1.3710 1.240906 1.979643 
1 1 1    9    8   29 o  143.345   1.3915  2761.49   53.574  2714.94   71.394  2821.47   81.051  142.090   1.8707  144.829   2.0836 -2.738068 2.800161 
1 1 1    9    8   30 o  105.662   1.0586  1500.05   30.043  1474.58   42.124  1526.42   42.861  104.736   1.4974  106.561   1.4975 -1.824921 2.117745 
1 1 1    9    8   31 o  106.560   0.9761  1525.65   27.936  1558.19   43.416  1502.66   36.494  107.657   1.5015  105.736   1.2850 1.920296 1.976266 
1 1 1    9    8   32 o   60.355   0.7495  489.352   12.151  500.463   17.117  478.065   17.252   61.028   1.0442   59.645   1.0769 1.382385 1.500033 
1 1 1    9    8   33 o   45.849   0.7600  282.408   9.3593  280.793   11.975  284.942   15.003   45.713   0.9753   46.042   1.2132 -0.3293114 1.556620 
1 1 1    9    8   34 o   30.676   0.8453  126.433   6.9643  135.513   9.4886  115.827   10.254   31.753   1.1126   29.352   1.3007 2.401190 1.711592 
1 1 1    9    8   35 o   65.704   0.7357  579.971   12.983  572.724   17.457  588.941   19.422   65.281   0.9956   66.194   1.0924 -0.9130249 1.478043 
1 1 1    9    8   36 o   48.419   0.7432  314.984   9.6659  321.266   13.688  308.736   13.652   48.890   1.0424   47.926   1.0605 0.9635925 1.487034 
1 1 1    9    8   37 o   65.446   0.7745  575.512   13.614  561.616   19.009  590.147   19.508   64.634   1.0950   66.255   1.0962 -1.621376 1.549419 
1 1 1    9    8   38 o   50.259   0.7904  339.439   10.670  333.656   14.138  347.092   16.263   49.817   1.0566   50.803   1.1919 -0.9854927 1.592804 
1 1 1    9    8   39 o  131.863   1.2519  2339.28   44.338  2343.72   57.208  2332.60   70.163  131.911   1.6147  131.498   1.9865 0.4129028 2.559974 
1 1 1    9    8   40 o   23.685   1.2119   75.678   7.6841   75.617   9.7194   75.780   12.549   23.643   1.5389   23.611   1.9976 0.3259468E-01 2.521602 
1 1 1    9    8   41 o   62.670   0.8829  528.050   14.862  514.151   20.567  543.239   21.500   61.806   1.2389   63.528   1.2600 -1.721840 1.767100 
1 1 1    9    8   42 o   58.227   0.8413  455.833   13.158  457.799   19.705  454.250   17.676   58.312   1.2581   58.100   1.1327 0.2126579 1.692880 
1 1 1    9    8   43 o   52.027   0.8149  363.928   11.388  368.564   15.708  358.792   16.532   52.332   1.1175   51.626   1.1923 0.7060280 1.634149 
1 1 1    9    8   44 o   66.785   0.8215  599.716   14.736  604.950   20.837  594.480   20.843   67.035   1.1573   66.451   1.1678 0.5841064 1.644090 
1 1 1    9    8   45 o   32.640   0.9196  143.305   8.0620  135.948   11.087  151.562   11.745   31.765   1.2995   33.539   1.3038 -1.774132 1.840755 
1 1 1    9    8   46 o   36.728   0.9802  181.526   9.6697  170.713   15.298  188.721   12.479   35.558   1.6018   37.426   1.2414 -1.868465 2.026523 
1 1 1    9    8   47 o   51.345   0.8782  354.668   12.111  366.733   18.665  345.896   15.916   52.150   1.3326   50.671   1.1695 1.479469 1.772956 
1 1 1    9    8   48 o   23.713   1.1143   75.756   7.0974   75.709   9.9266   75.805   10.152   23.617   1.5739   23.627   1.6093 -0.9407043E-02 2.250979 
1 1 1    9    8   49 o   7.1493   2.6617   5.4113   6.8377   7.6702   9.7735   3.2458   9.5695   8.4973   3.1785   7.4711   3.0392 1.026268 4.397666 
1 1 1    9    8   50 o   37.618   1.0397  190.645   10.505  196.385   13.892  182.982   16.053   38.138   1.3562   36.771   1.6254 1.367119 2.116837 
1 1 1    9    8   51 o   37.426   0.8797  188.547   8.8429  185.646   13.193  190.913   11.916   37.083   1.3246   37.626   1.1791 -0.5428429 1.773366 
1 1 1    9    8   52 o   21.372   1.2878   61.869   7.3578   53.118   10.294   71.009   10.520   19.677   1.9744   22.828   1.7287 -3.151033 2.624250 
1 1 1    9    8   53 f   25.855   1.1482   90.150   7.9737   82.141   11.278   98.154   11.275   24.558   1.7207   26.886   1.5681 -2.327477 2.328061 
1 1 1    9    8   54 o   57.987   0.9268  452.900   14.434  456.392   19.046  448.188   22.124   58.147   1.2195   57.567   1.4309 0.5803452 1.880050 
1 1 1    9    8   55 o   37.184   1.0188  186.436   10.175  186.069   14.035  186.843   14.772   37.079   1.4092   37.141   1.4808 -0.6214905E-01 2.044173 
1 1 1    9    8   56 o   16.777   2.5688   39.754   11.207   54.852   16.702   27.392   15.114   19.493   3.3083   13.617   3.9202 5.876513 5.129627 
1 1 1    9    8   57 o   4.9999   2.3451  -7.7352   7.9562  -3.4609   11.093 -12.2637   11.418   6.7524   3.0118   5.8307   2.7576 0.9216790 4.083574 
1 1 1    9    8   58 o   16.083   2.4154   36.737   10.112   22.470   12.838   60.049   16.411   12.276   3.6358   20.338   3.1025 -8.061780 4.779597 
1 1 1    9    8   59 o   21.230   2.1496   63.192   12.089   90.065   18.555   43.373   15.934   25.039   2.8073   16.898   3.6198 8.140779 4.580832 
1 1 1    9    8   60 o   23.434   2.1443   77.258   13.347   89.244   19.397   66.480   18.394   24.702   2.9841   21.048   3.3671 3.653267 4.499150 
1 1 1    9    9    0 o  235.596   3.2178  7457.59  203.620  7171.00  397.192  7559.76  237.154  230.868   6.4054  237.186   3.7226 -6.318024 7.408556 
1 1 1    9    9    1 o  191.385   1.6021  4920.15   82.356  4981.60  123.208  4870.52  110.728  192.550   2.3823  190.400   2.1652 2.150620 3.219267 
1 1 1    9    9    2 o  163.393   1.4596  3586.01   64.054  3523.15   89.709  3651.40   91.489  161.939   2.0625  164.860   2.0662 -2.921082 2.919390 
1 1 1    9    9    3 o  121.498   1.2038  1982.72   39.283  1980.00   58.952  1984.89   52.684  121.405   1.8079  121.558   1.6136 -0.1535416 2.423276 
1 1 1    9    9    4 o  111.962   1.1979  1683.69   36.023  1688.55   58.981  1680.80   45.493  112.111   1.9587  111.862   1.5142 0.2493286 2.475748 
1 1 1    9    9    5 o  251.545   1.9753  8500.70  133.458  8593.25  190.063  8410.70  187.439  252.863   2.7985  250.163   2.7896 2.699615 3.951386 
1 1 1    9    9    6 o  146.058   1.2651  2865.36   49.632  2874.31   73.788  2857.96   67.071  146.272   1.8782  145.859   1.7120 0.4124146 2.541360 
1 1 1    9    9    7 o  242.413   2.0901  7895.26  136.087  8062.37  217.929  7788.44  174.235  244.883   3.3133  240.732   2.6947 4.150757 4.270761 
1 1 1    9    9    8 o   18.306   1.0089   45.144   4.9414   50.844   6.8932   39.118   7.0872   19.410   1.3302   16.992   1.5706 2.417934 2.058239 
1 1 1    9    9    9 o   21.051   0.9274   59.517   5.2437   79.327   7.4240   39.795   7.4074   24.302   1.1373   17.134   1.6292 7.168282 1.986901 
1 1 1    9    9   10 o   66.566   1.0129  595.138   18.109  565.600   30.258  611.622   22.605   64.886   1.7362   67.480   1.2472 -2.593567 2.137725 
1 1 1    9    9   11 o  107.278   1.0455  1545.74   30.126  1530.24   38.557  1570.03   48.270  106.735   1.3449  108.108   1.6624 -1.372963 2.138317 
1 1 1    9    9   12 o  212.003   2.0639  6038.82  117.522  6064.58  136.025  5963.00  233.390  212.438   2.3839  210.518   4.1276 1.919678 4.766601 
1 1 1    9    9   13 f   59.785   1.0237  480.063   16.439  496.726   23.309  463.573   23.188   60.810   1.4271   58.746   1.4696 2.064804 2.048479 
1 1 1    9    9   14 o   54.794   0.8832  403.250   12.999  400.018   16.830  408.028   20.464   54.573   1.1482   55.114   1.3824 -0.5417480 1.797040 
1 1 1    9    9   15 o  495.255   3.9854 33002.49  530.141 33364.34  722.865 32581.34  779.839  497.565   5.4090  491.526   5.9070 6.038727 8.009348 
1 1 1    9    9   16 o  194.736   1.6310  5094.47   85.310  5021.04  114.388  5186.51  128.059  193.301   2.2032  196.448   2.4270 -3.146683 3.277875 
1 1 1    9    9   17 o  101.852   0.9684  1393.33   26.493  1436.40   36.292  1344.19   38.763  103.409   1.3067  100.033   1.4427 3.376663 1.946493 
1 1 1    9    9   18 o  164.367   1.5531  3629.39   68.567  3588.02  101.681  3663.89   92.856  163.394   2.3169  165.124   2.0937 -1.729675 3.122750 
1 1 1    9    9   19 o   47.466   0.8687  302.598   11.075  311.756   13.575  284.377   19.149   48.177   1.0491   46.009   1.5496 2.168465 1.871345 
1 1 1    9    9   20 o  111.465   1.1407  1668.90   34.151  1665.37   41.687  1676.10   59.550  111.341   1.3940  111.682   1.9852 -0.3407059 2.425739 
1 1 1    9    9   21 o  188.240   1.6627  4760.92   84.066  4726.78  107.887  4813.68  134.125  187.534   2.1419  189.211   2.6392 -1.677368 3.398964 
1 1 1    9    9   22 o   65.967   0.9622  584.508   17.048  603.699   22.623  559.288   25.934   67.037   1.2564   64.520   1.4965 2.516937 1.954036 
1 1 1    9    9   23 o  228.446   1.8111  7013.38  111.125  7149.98  159.014  6882.99  155.359  230.581   2.5676  226.236   2.5567 4.344772 3.623421 
1 1 1    9    9   24 o  245.213   1.9355  8082.17  127.473  8032.40  179.450  8132.88  181.110  244.351   2.7342  245.873   2.7425 -1.522308 3.872615 
1 1 1    9    9   25 o  131.590   1.1720  2326.30   41.423  2324.52   61.160  2327.81   56.304  131.512   1.7314  131.613   1.5928 -0.1011047 2.352604 
1 1 1    9    9   26 o   27.707   1.0635  103.132   7.9142   90.750   9.8289  125.960   13.346   25.949   1.4156   30.570   1.6313 -4.621347 2.159866 
1 1 1    9    9   27 o  129.721   1.2823  2261.13   44.679  2315.71   60.846  2197.27   65.818  131.248   1.7260  127.833   1.9169 3.415512 2.579499 
1 1 1    9    9   28 o   96.321   0.9415  1246.38   24.356  1242.74   33.026  1250.73   36.065   96.166   1.2786   96.469   1.3919 -0.3031845 1.890020 
1 1 1    9    9   29 o   38.646   0.7705  200.628   7.9977  200.515   11.849  200.722   10.839   38.629   1.1420   38.651   1.0441 -0.2177048E-01 1.547381 
1 1 1    9    9   30 o   72.297   0.9175  702.245   17.816  668.324   26.377  730.702   24.159   70.510   1.3928   73.736   1.2199 -3.225456 1.851454 
1 1 1    9    9   31 o   30.561   0.8401  125.479   6.8961  120.326   10.201  129.818   9.3588   29.919   1.2694   31.080   1.1211 -1.160801 1.693555 
1 1 1    9    9   32 o   48.443   0.9090  315.313   11.828  290.544   19.606  329.485   14.830   46.478   1.5705   49.513   1.1151 -3.035324 1.926165 
1 1 1    9    9   33 o   67.601   0.8045  613.984   14.607  625.946   21.066  602.908   20.271   68.241   1.1493   66.975   1.1269 1.266502 1.609577 
1 1 1    9    9   34 o   30.072   0.7491  121.498   6.0503  118.928   7.9231  125.093   9.3707   29.748   0.9916   30.506   1.1437 -0.7577515 1.513693 
1 1 1    9    9   35 o   63.374   0.7649  539.616   13.019  551.412   18.377  527.728   18.448   64.049   1.0682   62.657   1.0962 1.392090 1.530605 
1 1 1    9    9   36 o   29.406   0.8258  116.194   6.5223  104.953   9.0163  128.533   9.4466   27.938   1.2015   30.919   1.1375 -2.981503 1.654580 
1 1 1    9    9   37 o   32.913   0.8496  145.581   7.5106  146.687   9.8875  144.073   11.548   33.029   1.1145   32.726   1.3138 0.3033943 1.722863 
1 1 1    9    9   38 o   8.8139   2.1179   10.905   4.9512   13.472   6.6801   7.7763   7.3757   9.7972   2.5232   8.0177   2.7921 1.779523 3.763305 
1 1 1    9    9   39 o   90.080   1.0416  1091.26   25.201  1075.24   37.555  1104.38   33.989   89.338   1.5651   90.569   1.3972 -1.231255 2.098034 
1 1 1    9    9   40 o   61.663   0.8230  511.144   13.631  509.972   18.324  512.596   20.397   61.568   1.1081   61.714   1.2305 -0.1454811 1.655924 
1 1 1    9    9   41 o   45.441   0.7812  277.571   9.5351  273.490   13.224  281.991   13.762   45.085   1.0920   45.778   1.1193 -0.6931305 1.563731 
1 1 1    9    9   42 o   52.336   0.8371  368.289   11.767  369.402   15.576  366.809   17.961   52.392   1.1069   52.189   1.2813 0.2028198 1.693210 
1 1 1    9    9   43 f   65.905   0.8453  584.073   14.964  585.653   21.890  582.687   20.503   65.946   1.2358   65.789   1.1603 0.1563950 1.695157 
1 1 1    9    9   44 o   71.784   0.8749  693.038   16.868  702.085   25.274  685.772   22.651   72.186   1.3036   71.363   1.1818 0.8227005 1.759510 
1 1 1    9    9   45 o   30.621   1.0039  126.184   8.2563  126.603   12.704  125.877   10.863   30.588   1.5514   30.560   1.3234 0.2845001E-01 2.039223 
1 1 1    9    9   46 o   20.736   1.2099   58.133   6.7096   60.767   9.5442   55.559   9.4342   21.136   1.6955   20.194   1.7569 0.9418316 2.441577 
1 1 1    9    9   47 o   38.034   0.8993  194.668   9.1865  196.705   12.463  192.245   13.594   38.201   1.2147   37.750   1.3407 0.4508171 1.809127 
1 1 1    9    9   48 f   54.835   1.0434  405.026   15.368  397.193   21.474  413.250   22.003   54.222   1.4745   55.305   1.4812 -1.083622 2.090018 
1 1 1    9    9   49 o   42.007   0.9530  237.605   10.752  253.370   15.590  223.303   14.849   43.322   1.3398   40.667   1.3595 2.654743 1.908707 
1 1 1    9    9   50 o   29.470   1.0885  117.055   8.6163  110.967   12.845  122.036   11.618   28.575   1.6810   30.050   1.4394 -1.475803 2.213075 
1 1 1    9    9   51 o   50.905   0.9132  348.901   12.486  342.875   17.494  355.158   17.826   50.399   1.2923   51.293   1.2939 -0.8944626 1.828748 
1 1 1    9    9   52 o   20.763   1.2541   58.392   6.9609   50.477   10.354   64.918   9.4028   19.157   2.0439   21.838   1.6145 -2.681406 2.604645 
1 1 1    9    9   53 o   19.281   1.4745   50.580   7.5783   50.157   10.794   50.992   10.642   19.063   2.1455   19.235   2.0936 -0.1720886 2.997740 
1 1 1    9    9   54 o   46.956   0.9324  297.070   11.759  294.695   17.565  298.999   15.830   46.672   1.4012   47.046   1.2528 -0.3743019 1.879547 
1 1 1    9    9   55 o   13.180   2.7009   24.881   9.2396   23.358   11.843   27.251   14.769   12.652   3.4086   13.607   3.8618 -0.9554996 5.150897 
1 1 1    9    9   56 o   12.085   3.1344   21.360   10.260   4.2897   14.128   40.408   14.924   8.7965   3.6473   16.569   3.4649 -7.772515 5.030735 
1 1 1    9    9   57 o   28.983   1.3899  114.138   10.820  100.905   14.278  131.988   16.582   27.022   1.9811   30.911   2.0082 -3.889353 2.820905 
1 1 1    9    9   58 o   22.022   2.2787   68.176   13.284   56.160   18.633   80.595   18.943   19.263   3.7361   23.564   3.0657 -4.300661 4.832939 
1 1 1    9    9   59 o   18.168   2.6949   47.809   12.752   56.318   18.768   40.511   17.380   19.129   3.7869   16.027   4.0390 3.101751 5.536613 
1 1 1   10    0  -62 o   24.229   2.2630   84.519   14.431   84.519   14.431   84.519   14.431   24.229   2.2630   24.229   2.2630 -0.000000 0.000000 
1 1 1   10    0  -61 o   4.8607   3.1560   0.6625   9.8433   0.6625   9.8433   0.6625   9.8433   4.8607   3.1560   4.8607   3.1560 0.000000 0.000000 
1 1 1   10    0  -60 o   5.6893   3.4964   4.6426   10.340   4.6426   10.340   4.6426   10.340   5.6893   3.4964   5.6893   3.4964 0.000000 0.000000 
1 1 1   10    0  -59 o   12.897   3.4707   27.716   10.390   27.716   10.390   27.716   10.390   12.897   3.4707   12.897   3.4707 -0.000000 0.000000 
1 1 1   10    0  -58 f   29.249   1.5495  117.019   12.095  117.019   12.095  117.019   12.095   29.249   1.5495   29.249   1.5495 -0.000000 0.000000 
1 1 1   10    0  -57 o   47.330   1.3680  303.581   17.358  303.581   17.358  303.581   17.358   47.330   1.3680   47.330   1.3680 -0.000000 0.000000 
1 1 1   10    0  -56 o   4.4173   2.9512  -2.8904   9.6196  -2.8904   9.6196  -2.8904   9.6196   4.4173   2.9512   4.4173   2.9512 0.000000 0.000000 
1 1 1   10    0  -55 o   44.219   1.4535  265.000   17.220  265.000   17.220  265.000   17.220   44.219   1.4535   44.219   1.4535 0.000000 0.000000 
1 1 1   10    0  -54 o   14.507   3.3732   33.101   11.430   33.101   11.430   33.101   11.430   14.507   3.3732   14.507   3.3732 0.000000 0.000000 
1 1 1   10    0  -53 o  102.635   1.4183  1422.76   39.081  1422.76   39.081  1422.76   39.081  102.635   1.4183  102.635   1.4183 0.000000 0.000000 
1 1 1   10    0  -52 o   67.551   1.2031  615.513   21.813  615.513   21.813  615.513   21.813   67.551   1.2031   67.551   1.2031 0.000000 0.000000 
1 1 1   10    0  -51 o   9.4227   3.5999   16.487   8.5912   16.487   8.5912   16.487   8.5912   9.4227   3.5999   9.4227   3.5999 0.000000 0.000000 
1 1 1   10    0  -50 o   11.064   3.5384   21.089   9.2695   21.089   9.2695   21.089   9.2695   11.064   3.5384   11.064   3.5384 0.000000 0.000000 
1 1 1   10    0  -49 o   55.109   1.1531  409.293   17.052  409.293   17.052  409.293   17.052   55.109   1.1531   55.109   1.1531 -0.000000 0.000000 
1 1 1   10    0  -48 o   54.807   1.1393  404.703   16.754  404.703   16.754  404.703   16.754   54.807   1.1393   54.807   1.1393 0.000000 0.000000 
1 1 1   10    0  -47 o   5.2044   3.3386   0.5491   10.586   0.5491   10.586   0.5491   10.586   5.2044   3.3386   5.2044   3.3386 0.000000 0.000000 
1 1 1   10    0  -46 o   80.725   1.3422  877.838   29.084  877.838   29.084  877.838   29.084   80.725   1.3422   80.725   1.3422 0.000000 0.000000 
1 1 1   10    0  -45 o   73.726   1.1825  731.672   23.402  731.672   23.402  731.672   23.402   73.726   1.1825   73.726   1.1825 0.000000 0.000000 
1 1 1   10    0  -44 o   18.045   1.7345   45.056   8.2286   45.056   8.2286   45.056   8.2286   18.045   1.7345   18.045   1.7345 -0.000000 0.000000 
1 1 1   10    0  -43 o   18.473   1.6373   46.999   7.9767   46.999   7.9767   46.999   7.9767   18.473   1.6373   18.473   1.6373 0.000000 0.000000 
1 1 1   10    0  -42 o   2.7681   1.9748  -9.6837   6.5462  -9.6837   6.5462  -9.6837   6.5462   2.7681   1.9748   2.7681   1.9748 0.000000 0.000000 
1 1 1   10    0  -41 o   8.3429   3.6445   13.479   8.4959   13.479   8.4959   13.479   8.4959   8.3429   3.6445   8.3429   3.6445 -0.000000 0.000000 
1 1 1   10    0  -40 o   7.9746   3.2992   12.036   7.0200   12.036   7.0200   12.036   7.0200   7.9746   3.2992   7.9746   3.2992 -0.000000 0.000000 
1 1 1   10    0  -39 o   17.493   1.9210   42.629   8.7486   42.629   8.7486   42.629   8.7486   17.493   1.9210   17.493   1.9210 0.000000 0.000000 
1 1 1   10    0  -38 o   20.247   1.4957   56.002   8.0319   56.002   8.0319   56.002   8.0319   20.247   1.4957   20.247   1.4957 0.000000 0.000000 
1 1 1   10    0  -37 o   30.972   1.4921  129.825   12.347  129.825   12.347  129.825   12.347   30.972   1.4921   30.972   1.4921 0.000000 0.000000 
1 1 1   10    0  -36 o   53.236   1.2661  381.444   18.080  381.444   18.080  381.444   18.080   53.236   1.2661   53.236   1.2661 0.000000 0.000000 
1 1 1   10    0  -35 o  170.374   2.4176  3907.01  110.579  3907.01  110.579  3907.01  110.579  170.374   2.4176  170.374   2.4176 -0.000000 0.000000 
1 1 1   10    0  -34 o   61.760   1.1881  512.991   19.693  512.991   19.693  512.991   19.693   61.760   1.1881   61.760   1.1881 -0.000000 0.000000 
1 1 1   10    0  -33 f   28.581   1.4681  110.619   11.203  110.619   11.203  110.619   11.203   28.581   1.4681   28.581   1.4681 -0.000000 0.000000 
1 1 1   10    0  -32 o   35.903   1.7556  174.439   16.837  174.439   16.837  174.439   16.837   35.903   1.7556   35.903   1.7556 0.000000 0.000000 
1 1 1   10    0  -31 o   28.749   1.3201  111.727   10.144  111.727   10.144  111.727   10.144   28.749   1.3201   28.749   1.3201 -0.000000 0.000000 
1 1 1   10    0  -30 o   18.031   1.4815   44.550   7.0635   44.550   7.0635   44.550   7.0635   18.031   1.4815   18.031   1.4815 0.000000 0.000000 
1 1 1   10    0  -29 f  184.712   2.1141  4585.92  104.855  4585.92  104.855  4585.92  104.855  184.712   2.1141  184.712   2.1141 -0.000000 0.000000 
1 1 1   10    0  -28 o   93.018   1.5489  1163.18   38.673  1163.18   38.673  1163.18   38.673   93.018   1.5489   93.018   1.5489 0.000000 0.000000 
1 1 1   10    0  -27 o  357.019   3.9207 17144.82  375.859 17144.82  375.859 17144.82  375.859  357.019   3.9207  357.019   3.9207 0.000000 0.000000 
1 1 1   10    0  -26 o   67.936   1.9263  621.470   35.086  621.470   35.086  621.470   35.086   67.936   1.9263   67.936   1.9263 -0.000000 0.000000 
1 1 1   10    0  -25 o   88.263   1.6763  1047.54   39.708  1047.54   39.708  1047.54   39.708   88.263   1.6763   88.263   1.6763 0.000000 0.000000 
1 1 1   10    0  -24 o   84.559   1.2629  960.980   28.669  960.980   28.669  960.980   28.669   84.559   1.2629   84.559   1.2629 -0.000000 0.000000 
1 1 1   10    0  -23 o  105.705   1.3377  1501.43   37.967  1501.43   37.967  1501.43   37.967  105.705   1.3377  105.705   1.3377 0.000000 0.000000 
1 1 1   10    0  -22 o  133.217   1.7418  2384.91   62.299  2384.91   62.299  2384.91   62.299  133.217   1.7418  133.217   1.7418 0.000000 0.000000 
1 1 1   10    0  -21 o  293.817   3.5527 11606.17  280.276 11606.17  280.276 11606.17  280.276  293.817   3.5527  293.817   3.5527 0.000000 0.000000 
1 1 1   10    0  -20 o   44.812   1.5164  270.638   18.204  270.638   18.204  270.638   18.204   44.812   1.5164   44.812   1.5164 -0.000000 0.000000 
1 1 1   10    0  -19 o  492.609   5.3670 32642.33  709.919 32642.33  709.919 32642.33  709.919  492.609   5.3670  492.609   5.3670 0.000000 0.000000 
1 1 1   10    0  -18 o  106.960   1.6634  1537.69   47.761  1537.69   47.761  1537.69   47.761  106.960   1.6634  106.960   1.6634 -0.000000 0.000000 
1 1 1   10    0  -17 o  525.461   5.7191 37134.49  806.948 37134.49  806.948 37134.49  806.948  525.461   5.7191  525.461   5.7191 -0.000000 0.000000 
1 1 1   10    0  -16 o  642.690   7.6541 55588.07  1320.83 55588.07  1320.83 55588.07  1320.83  642.690   7.6541  642.690   7.6541 0.000000 0.000000 
1 1 1   10    0  -15 o  186.254   2.1195  4661.11  105.998  4661.11  105.998  4661.11  105.998  186.254   2.1195  186.254   2.1195 -0.000000 0.000000 
1 1 1   10    0  -14 o  137.105   1.9996  2526.27   73.602  2526.27   73.602  2526.27   73.602  137.105   1.9996  137.105   1.9996 0.000000 0.000000 
1 1 1   10    0  -13 o  890.137   11.831 106727.20  2827.56 106727.20  2827.56 106727.20  2827.56  890.137   11.831  890.137   11.831 0.000000 0.000000 
1 1 1   10    0  -12 o  532.946   7.1023 38194.17  1016.24 38194.17  1016.24 38194.17  1016.24  532.946   7.1023  532.946   7.1023 -0.000000 0.000000 
1 1 1   10    0  -11 o   21.641   1.4907   63.789   8.5702   63.789   8.5702   63.789   8.5702   21.641   1.4907   21.641   1.4907 0.000000 0.000000 
1 1 1   10    0  -10 o  450.484   6.0156 27280.63  727.577 27280.63  727.577 27280.63  727.577  450.484   6.0156  450.484   6.0156 0.000000 0.000000 
1 1 1   10    0   -9 o   90.839   2.0723  1109.96   50.503  1109.96   50.503  1109.96   50.503   90.839   2.0723   90.839   2.0723 0.000000 0.000000 
1 1 1   10    0   -8 o  253.887   3.9890  8664.50  271.867  8664.50  271.867  8664.50  271.867  253.887   3.9890  253.887   3.9890 -0.000000 0.000000 
1 1 1   10    0   -7 o  320.459   4.9845 13805.28  428.792 13805.28  428.792 13805.28  428.792  320.459   4.9845  320.459   4.9845 -0.000000 0.000000 
1 1 1   10    0   -5 o   54.406   1.0038  397.929   14.658  397.929   14.658  397.929   14.658   54.406   1.0038   54.406   1.0038 0.000000 0.000000 
1 1 1   10    0   -4 o  530.891   5.7714 37877.98  822.740 37877.98  822.740 37877.98  822.740  530.891   5.7714  530.891   5.7714 0.000000 0.000000 
1 1 1   10    0   -3 o  215.147   2.4089  6219.04  139.164  6219.04  139.164  6219.04  139.164  215.147   2.4089  215.147   2.4089 0.000000 0.000000 
1 1 1   10    0   -2 o   50.959   1.1132  349.242   15.220  349.242   15.220  349.242   15.220   50.959   1.1132   50.959   1.1132 -0.000000 0.000000 
1 1 1   10    0   -1 o  265.958   3.6045  9505.84  257.376  9505.84  257.376  9505.84  257.376  265.958   3.6045  265.958   3.6045 0.000000 0.000000 
1 1 1   10    0    0 o  1252.71   14.879 211350.59  5004.82 211350.59  5004.82 211350.59  5004.82  1252.71   14.879  1252.71   14.879 0.000000 0.000000 
1 1 1   10    0    1 o  302.395   3.3269 12286.30  270.140 12286.30  270.140 12286.30  270.140  302.395   3.3269  302.395   3.3269 0.000000 0.000000 
1 1 1   10    0    2 o  652.541   7.0791 57236.07  1240.41 57236.07  1240.41 57236.07  1240.41  652.541   7.0791  652.541   7.0791 -0.000000 0.000000 
1 1 1   10    0    3 o  237.322   3.2349  7568.88  206.113  7568.88  206.113  7568.88  206.113  237.322   3.2349  237.322   3.2349 0.000000 0.000000 
1 1 1   10    0    4 o   71.958   1.2526  696.013   24.193  696.013   24.193  696.013   24.193   71.958   1.2526   71.958   1.2526 -0.000000 0.000000 
1 1 1   10    0    5 o  383.695   4.1933 19782.19  432.038 19782.19  432.038 19782.19  432.038  383.695   4.1933  383.695   4.1933 -0.000000 0.000000 
1 1 1   10    0    6 o  277.529   3.3580 10349.63  250.229 10349.63  250.229 10349.63  250.229  277.529   3.3580  277.529   3.3580 -0.000000 0.000000 
1 1 1   10    0    7 o   33.102   0.9484  147.520   8.4161  147.520   8.4161  147.520   8.4161   33.102   0.9484   33.102   0.9484 -0.000000 0.000000 
1 1 1   10    0    8 o  699.235   7.5821 65728.38  1423.60 65728.38  1423.60 65728.38  1423.60  699.235   7.5821  699.235   7.5821 -0.000000 0.000000 
1 1 1   10    0    9 o  423.008   5.0542 24048.04  574.055 24048.04  574.055 24048.04  574.055  423.008   5.0542  423.008   5.0542 0.000000 0.000000 
1 1 1   10    0   10 o  631.086   7.5036 53547.31  1271.49 53547.31  1271.49 53547.31  1271.49  631.086   7.5036  631.086   7.5036 -0.000000 0.000000 
1 1 1   10    0   11 o  125.870   1.6530  2128.87   55.863  2128.87   55.863  2128.87   55.863  125.870   1.6530  125.870   1.6530 -0.000000 0.000000 
1 1 1   10    0   12 o  324.400   3.5656 14140.54  310.590 14140.54  310.590 14140.54  310.590  324.400   3.5656  324.400   3.5656 0.000000 0.000000 
1 1 1   10    0   13 o  327.417   3.5959 14405.21  316.140 14405.21  316.140 14405.21  316.140  327.417   3.5959  327.417   3.5959 0.000000 0.000000 
1 1 1   10    0   14 o  255.627   2.8376  8780.29  194.775  8780.29  194.775  8780.29  194.775  255.627   2.8376  255.627   2.8376 -0.000000 0.000000 
1 1 1   10    0   15 o  199.769   2.2567  5362.13  121.051  5362.13  121.051  5362.13  121.051  199.769   2.2567  199.769   2.2567 -0.000000 0.000000 
1 1 1   10    0   16 o  126.749   2.1559  2159.65   73.346  2159.65   73.346  2159.65   73.346  126.749   2.1559  126.749   2.1559 -0.000000 0.000000 
1 1 1   10    0   17 o  478.163   6.3861 30764.19  819.845 30764.19  819.845 30764.19  819.845  478.163   6.3861  478.163   6.3861 -0.000000 0.000000 
1 1 1   10    0   18 o  461.296   6.1685 28635.55  763.966 28635.55  763.966 28635.55  763.966  461.296   6.1685  461.296   6.1685 -0.000000 0.000000 
1 1 1   10    0   19 o  167.057   2.1100  3750.46   94.640  3750.46   94.640  3750.46   94.640  167.057   2.1100  167.057   2.1100 -0.000000 0.000000 
1 1 1   10    0   20 o   17.727   1.5283   43.142   7.1524   43.142   7.1524   43.142   7.1524   17.727   1.5283   17.727   1.5283 -0.000000 0.000000 
1 1 1   10    0   21 o   77.334   1.1081  803.710   23.005  803.710   23.005  803.710   23.005   77.334   1.1081   77.334   1.1081 -0.000000 0.000000 
1 1 1   10    0   22 o  428.567   4.6816 24703.99  538.747 24703.99  538.747 24703.99  538.747  428.567   4.6816  428.567   4.6816 0.000000 0.000000 
1 1 1   10    0   23 o   34.510   0.9958  160.347   9.2131  160.347   9.2131  160.347   9.2131   34.510   0.9958   34.510   0.9958 -0.000000 0.000000 
1 1 1   10    0   24 o   63.711   1.8403  546.597   31.432  546.597   31.432  546.597   31.432   63.711   1.8403   63.711   1.8403 0.000000 0.000000 
1 1 1   10    0   25 o  171.691   2.1658  3961.84   99.839  3961.84   99.839  3961.84   99.839  171.691   2.1658  171.691   2.1658 0.000000 0.000000 
1 1 1   10    0   26 o  110.568   1.7149  1643.34   50.900  1643.34   50.900  1643.34   50.900  110.568   1.7149  110.568   1.7149 -0.000000 0.000000 
1 1 1   10    0   27 o  108.212   1.3758  1573.57   39.973  1573.57   39.973  1573.57   39.973  108.212   1.3758  108.212   1.3758 0.000000 0.000000 
1 1 1   10    0   28 o  296.266   3.2756 11803.36  260.585 11803.36  260.585 11803.36  260.585  296.266   3.2756  296.266   3.2756 0.000000 0.000000 
1 1 1   10    0   29 f   17.352   1.6262   41.502   7.4263   41.502   7.4263   41.502   7.4263   17.352   1.6262   17.352   1.6262 0.000000 0.000000 
1 1 1   10    0   30 o   51.654   1.4906  359.306   20.641  359.306   20.641  359.306   20.641   51.654   1.4906   51.654   1.4906 0.000000 0.000000 
1 1 1   10    0   31 o  114.728   1.5764  1769.30   48.558  1769.30   48.558  1769.30   48.558  114.728   1.5764  114.728   1.5764 -0.000000 0.000000 
1 1 1   10    0   32 o   82.594   1.1846  916.917   26.268  916.917   26.268  916.917   26.268   82.594   1.1846   82.594   1.1846 -0.000000 0.000000 
1 1 1   10    0   33 f   39.472   1.2832  209.971   13.572  209.971   13.572  209.971   13.572   39.472   1.2832   39.472   1.2832 -0.000000 0.000000 
1 1 1   10    0   34 o   28.356   1.3426  108.753   10.173  108.753   10.173  108.753   10.173   28.356   1.3426   28.356   1.3426 -0.000000 0.000000 
1 1 1   10    0   35 o   76.725   1.2746  791.576   26.250  791.576   26.250  791.576   26.250   76.725   1.2746   76.725   1.2746 0.000000 0.000000 
1 1 1   10    0   36 o   57.215   1.7468  441.285   26.787  441.285   26.787  441.285   26.787   57.215   1.7468   57.215   1.7468 0.000000 0.000000 
1 1 1   10    0   37 o   48.011   1.1365  310.222   14.637  310.222   14.637  310.222   14.637   48.011   1.1365   48.011   1.1365 -0.000000 0.000000 
1 1 1   10    0   38 o   74.794   1.5619  753.012   31.346  753.012   31.346  753.012   31.346   74.794   1.5619   74.794   1.5619 -0.000000 0.000000 
1 1 1   10    0   39 o   27.756   1.2533  104.164   9.3001  104.164   9.3001  104.164   9.3001   27.756   1.2533   27.756   1.2533 0.000000 0.000000 
1 1 1   10    0   40 o   6.7710   3.1751   9.0498   6.4714   9.0498   6.4714   9.0498   6.4714   6.7710   3.1751   6.7710   3.1751 -0.000000 0.000000 
1 1 1   10    0   41 o   53.111   1.0917  379.576   15.559  379.576   15.559  379.576   15.559   53.111   1.0917   53.111   1.0917 -0.000000 0.000000 
1 1 1   10    0   42 o   28.319   1.2833  108.486   9.7151  108.486   9.7151  108.486   9.7151   28.319   1.2833   28.319   1.2833 -0.000000 0.000000 
1 1 1   10    0   43 o   32.269   1.2250  140.622   10.582  140.622   10.582  140.622   10.582   32.269   1.2250   32.269   1.2250 -0.000000 0.000000 
1 1 1   10    0   44 o   64.921   1.1531  567.302   20.092  567.302   20.092  567.302   20.092   64.921   1.1531   64.921   1.1531 0.000000 0.000000 
1 1 1   10    0   45 o   27.094   2.5399  101.848   18.110  101.848   18.110  101.848   18.110   27.094   2.5399   27.094   2.5399 0.000000 0.000000 
1 1 1   10    0   46 o   17.167   2.0364   41.410   9.0414   41.410   9.0414   41.410   9.0414   17.167   2.0364   17.167   2.0364 -0.000000 0.000000 
1 1 1   10    0   47 o   46.452   1.1487  290.832   14.313  290.832   14.313  290.832   14.313   46.452   1.1487   46.452   1.1487 -0.000000 0.000000 
1 1 1   10    0   48 o   39.085   1.2952  206.344   13.563  206.344   13.563  206.344   13.563   39.085   1.2952   39.085   1.2952 0.000000 0.000000 
1 1 1   10    0   49 o   7.5349   3.6965   11.458   8.8907   11.458   8.8907   11.458   8.8907   7.5349   3.6965   7.5349   3.6965 -0.000000 0.000000 
1 1 1   10    0   50 o   21.675   1.7436   64.658   9.9992   64.658   9.9992   64.658   9.9992   21.675   1.7436   21.675   1.7436 0.000000 0.000000 
1 1 1   10    0   51 o   41.642   1.4130  234.678   15.763  234.678   15.763  234.678   15.763   41.642   1.4130   41.642   1.4130 0.000000 0.000000 
1 1 1   10    0   52 o   4.9349   3.1593   0.7791   9.4210   0.7791   9.4210   0.7791   9.4210   4.9349   3.1593   4.9349   3.1593 0.000000 0.000000 
1 1 1   10    0   53 o   55.218   1.3607  412.160   20.153  412.160   20.153  412.160   20.153   55.218   1.3607   55.218   1.3607 -0.000000 0.000000 
1 1 1   10    0   54 o   70.048   1.2422  662.321   23.355  662.321   23.355  662.321   23.355   70.048   1.2422   70.048   1.2422 0.000000 0.000000 
1 1 1   10    0   55 o   12.985   4.2079   29.654   12.975   29.654   12.975   29.654   12.975   12.985   4.2079   12.985   4.2079 -0.000000 0.000000 
1 1 1   10    0   56 o   21.719   2.3109   66.458   13.097   66.458   13.097   66.458   13.097   21.719   2.3109   21.719   2.3109 -0.000000 0.000000 
1 1 1   10    0   57 o   28.423   1.6498  110.616   12.498  110.616   12.498  110.616   12.498   28.423   1.6498   28.423   1.6498 -0.000000 0.000000 
1 1 1   10    0   58 f   44.924   1.4242  274.184   17.145  274.184   17.145  274.184   17.145   44.924   1.4242   44.924   1.4242 0.000000 0.000000 
1 1 1   10    0   59 o   16.388   2.7190   40.094   10.977   40.094   10.977   40.094   10.977   16.388   2.7190   16.388   2.7190 0.000000 0.000000 
1 1 1   10    0   60 o   28.169   1.8198  110.112   13.636  110.112   13.636  110.112   13.636   28.169   1.8198   28.169   1.8198 0.000000 0.000000 
1 1 1   10    0   61 o   36.266   2.0064  183.702   19.407  183.702   19.407  183.702   19.407   36.266   2.0064   36.266   2.0064 0.000000 0.000000 
1 1 1   10    0   62 o   48.123   2.2295  327.375   28.676  327.375   28.676  327.375   28.676   48.123   2.2295   48.123   2.2295 -0.000000 0.000000 
1 1 1   10    1  -62 o   24.280   2.5812   84.102   16.575   88.007   20.170   75.980   29.088   24.516   3.1350   21.329   5.1384 3.186754 6.019255 
1 1 1   10    1  -61 o   6.6770   2.7346   2.6971   7.8140   1.3546   11.042   4.0438   11.059   7.4261   3.1601   7.9017   3.2467 -0.4756794 4.530695 
1 1 1   10    1  -60 o   21.060   1.3763   60.457   7.7423   69.120   10.988   51.915   10.911   22.398   1.8429   19.300   2.1409 3.097561 2.824790 
1 1 1   10    1  -59 o   39.173   0.9543  206.990   10.041  194.141   14.008  220.567   14.399   37.847   1.3780   40.354   1.3285 -2.506748 1.914133 
1 1 1   10    1  -58 o   15.045   1.9386   31.346   7.6516   34.750   11.087   28.251   10.573   15.641   2.7391   14.026   2.9022 1.614331 3.990633 
1 1 1   10    1  -57 o   8.2817   2.7425   9.0447   7.1056   11.358   10.252   6.9065   9.8569   9.4610   3.2920   8.3129   3.1734 1.148111 4.572507 
1 1 1   10    1  -56 o   7.0491   2.6587   5.0517   6.8663  -0.3829   9.7111   10.485   9.7096   6.8306   2.9364   9.1634   3.2028 -2.332782 4.345192 
1 1 1   10    1  -55 o   4.4365   2.1658 -15.5705   8.4618 -18.5342   13.197 -13.5015   11.027   5.9460   2.8540   5.6302   2.6765 0.3158131 3.912701 
1 1 1   10    1  -54 o   72.430   0.8858  706.056   17.233  715.281   24.401  696.876   24.341   72.825   1.2475   71.878   1.2608 0.9463272 1.773692 
1 1 1   10    1  -53 o   84.036   0.9129  950.552   20.606  938.706   29.018  962.604   29.268   83.416   1.2952   84.473   1.2900 -1.056694 1.827959 
1 1 1   10    1  -52 o   26.386   1.0643   93.773   7.5429  100.865   10.789   86.992   10.549   27.289   1.4775   25.324   1.5585 1.964603 2.147550 
1 1 1   10    1  -51 o   23.500   1.1107   74.390   7.0107   75.981   9.8761   72.774   9.9537   23.665   1.5626   23.151   1.6108 0.5144520 2.244153 
1 1 1   10    1  -50 o   29.286   0.9951  115.428   7.8275  120.301   10.916  110.270   11.231   29.869   1.3606   28.550   1.4695 1.319332 2.002697 
1 1 1   10    1  -49 o   20.581   1.2575   57.276   6.9180   59.277   9.9441   55.399   9.6306   20.868   1.7915   20.168   1.7967 0.7000008 2.537271 
1 1 1   10    1  -48 o   9.0115   2.3256   11.425   5.6669   12.766   8.1487   10.170   7.8861   9.6355   2.9065   8.8091   2.8878 0.8263760 4.097192 
1 1 1   10    1  -47 o   27.944   1.0259  105.052   7.7003  109.272   10.319   99.749   11.567   28.482   1.3489   27.150   1.5932 1.331776 2.087571 
1 1 1   10    1  -46 o   78.780   1.0555  834.935   22.333  822.665   31.459  847.404   31.711   78.129   1.4991   79.297   1.4889 -1.167946 2.112855 
1 1 1   10    1  -45 o   49.377   0.9069  327.819   12.027  331.549   16.055  323.051   18.156   49.634   1.2043   48.978   1.3802 0.6564941 1.831723 
1 1 1   10    1  -44 o   62.696   0.8111  528.343   13.658  534.566   18.741  521.294   19.947   63.040   1.1068   62.244   1.1931 0.7956467 1.627451 
1 1 1   10    1  -43 o   25.019   0.9415   84.151   6.3266   77.209   8.8301   91.473   9.0689   23.911   1.3808   26.073   1.2950 -2.161814 1.893054 
1 1 1   10    1  -42 o   61.975   0.7987  516.147   13.296  507.273   18.968  524.719   18.642   61.418   1.1498   62.468   1.1111 -1.050011 1.598952 
1 1 1   10    1  -41 o   84.222   0.8608  953.216   19.473  931.353   27.205  976.184   27.884   83.223   1.2171   85.202   1.2185 -1.979301 1.722180 
1 1 1   10    1  -40 o   89.316   0.8913  1071.97   21.382  1094.37   30.296  1049.74   30.181   90.217   1.2503   88.357   1.2718 1.860687 1.783417 
1 1 1   10    1  -39 o   84.932   0.9972  969.403   22.749  979.687   34.051  961.113   30.574   85.346   1.4854   84.545   1.3464 0.8015060 2.004819 
1 1 1   10    1  -38 o   43.680   0.9671  256.380   11.347  263.615   15.192  247.255   17.063   44.283   1.2773   42.879   1.4815 1.403580 1.956147 
1 1 1   10    1  -37 o   39.663   0.8727  211.360   9.2967  220.949   13.315  202.240   12.986   40.544   1.2227   38.789   1.2464 1.755203 1.746044 
1 1 1   10    1  -36 f   36.696   0.8331  180.903   8.2114  198.610   12.842  168.658   10.680   38.441   1.2438   35.427   1.1224 3.014397 1.675348 
1 1 1   10    1  -35 o   81.624   0.9660  895.116   21.177  900.101   31.340  890.927   28.729   81.830   1.4259   81.418   1.3138 0.4124222 1.938848 
1 1 1   10    1  -34 o   97.762   1.0009  1284.03   26.280  1274.66   33.973  1297.98   41.471   97.391   1.2987   98.263   1.5713 -0.8717728 2.038553 
1 1 1   10    1  -33 o   81.127   0.8261  884.073   18.000  892.086   25.608  876.248   25.306   81.484   1.1701   80.757   1.1667 0.7264862 1.652309 
1 1 1   10    1  -32 o  102.300   1.0350  1405.88   28.439  1419.06   40.449  1392.99   39.993  102.763   1.4655  101.815   1.4625 0.9480820 2.070377 
1 1 1   10    1  -31 o   62.935   1.1231  532.093   18.984  513.261   24.013  563.484   31.003   61.805   1.4465   64.750   1.7827 -2.944618 2.295696 
1 1 1   10    1  -30 o  159.997   1.3205  3439.13   56.746  3435.82   80.190  3442.46   80.311  159.890   1.8673  160.045   1.8683 -0.1544189 2.641429 
1 1 1   10    1  -29 o  167.852   1.3745  3785.04   61.968  3886.33   89.049  3689.94   86.288  170.053   1.9496  165.701   1.9388 4.351959 2.749541 
1 1 1   10    1  -28 o   44.677   0.7323  268.086   8.7876  268.520   11.869  267.559   13.073   44.712   0.9883   44.631   1.0905 0.8090210E-01 1.471761 
1 1 1   10    1  -27 o  361.371   3.0715 17561.71  298.127 17489.31  420.497 17634.88  422.742  360.376   4.3442  361.872   4.3494 -1.495514 6.147334 
1 1 1   10    1  -26 o   88.793   1.0532  1058.96   25.117  1047.26   31.630  1078.93   41.324   88.297   1.3337   89.615   1.7168 -1.318314 2.174009 
1 1 1   10    1  -25 o   98.385   1.1911  1300.16   31.476  1309.43   48.161  1293.25   41.588   98.724   1.8163   98.117   1.5781 0.6069031 2.406060 
1 1 1   10    1  -24 o  162.236   1.3299  3535.42   57.952  3536.87   81.954  3533.97   81.959  162.253   1.8805  162.186   1.8814 0.6663513E-01 2.660131 
1 1 1   10    1  -23 o  156.296   1.2869  3281.22   54.022  3308.12   76.761  3254.81   76.042  156.922   1.8212  155.652   1.8189 1.269287 2.573952 
1 1 1   10    1  -22 o  203.164   1.6222  5544.61   88.522  5608.83  126.113  5482.24  124.285  204.310   2.2981  201.991   2.2908 2.318420 3.244903 
1 1 1   10    1  -21 o  311.261   2.4225 13018.51  202.529 13072.23  287.176 12965.35  285.669  311.812   3.4290  310.535   3.4250 1.276886 4.846484 
1 1 1   10    1  -20 o  207.964   1.9101  5810.21  106.693  5801.24  159.810  5817.42  143.308  207.759   2.8639  208.064   2.5644 -0.3054962 3.844181 
1 1 1   10    1  -19 f   20.145   0.8826   54.503   4.7755   56.327   7.0593   52.964   6.4845   20.438   1.2927   19.820   1.2241 0.6176796 1.780276 
1 1 1   10    1  -18 o  309.883   2.4111 12902.27  200.684 12863.78  283.288 12941.05  284.334  309.346   3.4095  310.274   3.4119 -0.9273682 4.823432 
1 1 1   10    1  -17 o  346.792   2.8091 16160.42  261.656 16239.90  389.400 16094.98  353.303  347.523   4.1718  346.006   3.8016 1.516663 5.644125 
1 1 1   10    1  -16 o  172.520   1.4612  3997.60   67.708  3975.63   91.330  4024.42  100.888  172.035   1.9765  173.083   2.1702 -1.048096 2.935360 
1 1 1   10    1  -15 o  497.303   4.6880 33252.76  626.188 33429.41  888.699 33078.58  882.460  498.319   6.6398  495.700   6.6280 2.619659 9.381775 
1 1 1   10    1  -14 o  363.315   3.4460 17736.66  336.268 17571.86  472.591 17905.66  478.574  361.522   4.8670  364.938   4.8825 -3.416351 6.893893 
1 1 1   10    1  -13 o  452.855   4.2736 27561.50  519.804 27437.24  732.926 27687.26  737.323  451.665   6.0416  453.717   6.0504 -2.052246 8.550301 
1 1 1   10    1  -12 o  305.684   2.9151 12552.71  239.339 12491.29  337.323 12614.99  339.641  304.889   4.1192  306.395   4.1271 -1.505585 5.831015 
1 1 1   10    1  -11 o  369.607   3.5027 18353.13  347.721 18360.37  491.968 18345.90  491.536  369.608   4.9557  369.463   4.9533 0.1455383 7.006688 
1 1 1   10    1  -10 o  316.060   3.0085 13418.78  255.397 13413.79  361.110 13423.78  361.261  315.960   4.2551  316.078   4.2553 -0.1176147 6.017831 
1 1 1   10    1   -9 o  223.213   2.1632  6691.96  129.687  6730.16  183.979  6654.23  182.837  223.835   3.0602  222.568   3.0585 1.266190 4.326573 
1 1 1   10    1   -8 o  1035.37   8.2918 144215.20  2305.88 144641.09  3425.38 143862.20  3118.24  1035.81   12.312  1033.35   11.235 2.460938 16.66778 
1 1 1   10    1   -7 o  345.486   3.0906 16033.36  286.789 15795.99  426.071 16229.98  387.789  342.869   4.6266  347.565   4.1540 -4.695862 6.217806 
1 1 1   10    1   -6 o  707.636   6.6448 67319.27  1262.95 66312.81  1767.75 68368.59  1805.00  701.961   9.3759  712.750   9.4286 -10.78937 13.29688 
1 1 1   10    1   -5 o  619.648   8.2395 51646.77  1371.31 51596.95  1937.91 51696.73  1940.75  618.857   11.659  619.454   11.665 -0.5971069 16.49210 
1 1 1   10    1   -4 o  518.862   4.3673 36170.81  608.641 35668.64  778.319 36961.27  976.503  515.173   5.6249  524.325   6.9340 -9.151917 8.928546 
1 1 1   10    1   -3 o  428.603   3.3026 24676.33  380.187 24388.28  533.273 24974.07  542.168  426.041   4.6602  431.126   4.6821 -5.085297 6.606016 
1 1 1   10    1   -2 o  387.987   2.9956 20220.22  312.167 19947.35  437.705 20502.69  445.335  385.321   4.2293  390.647   4.2443 -5.326324 5.991772 
1 1 1   10    1   -1 o  583.755   4.4796 45784.98  702.361 45568.38  989.848 46004.63  996.763  582.239   6.3296  585.019   6.3435 -2.779236 8.961243 
1 1 1   10    1    0 o  388.677   3.0000 20292.23  313.189 20310.89  443.144 20273.62  442.689  388.816   4.2433  388.459   4.2429 0.3568726 6.000677 
1 1 1   10    1    1 o  438.648   3.3781 25846.82  398.003 25857.22  563.011 25836.43  562.713  438.678   4.7784  438.502   4.7777 0.1763306 6.757183 
1 1 1   10    1    2 o  166.388   1.5570  3718.19   69.584  3634.55  102.929  3788.60   94.433  164.501   2.3296  167.953   2.0934 -3.452133 3.131947 
1 1 1   10    1    3 o  310.909   2.6455 12983.72  220.923 12958.12  311.945 13009.47  312.921  310.578   3.7395  311.192   3.7438 -0.6146545 5.291513 
1 1 1   10    1    4 o  234.471   1.8455  7383.73  116.221  7405.67  164.673  7361.95  164.052  234.810   2.6110  234.116   2.6089 0.6940765 3.691064 
1 1 1   10    1    5 o  169.029   1.5790  3837.17   71.686  3856.21   96.577  3813.81  106.978  169.444   2.1221  168.508   2.3637 0.9362793 3.176471 
1 1 1   10    1    6 o  340.456   2.6372 15568.86  241.152 15534.31  340.599 15603.59  341.484  340.050   3.7291  340.807   3.7305 -0.7573853 5.274772 
1 1 1   10    1    7 o  531.282   4.0812 37921.81  582.372 38218.55  827.763 37630.98  819.497  533.247   5.7794  529.133   5.7662 4.114014 8.164006 
1 1 1   10    1    8 o  220.048   1.8177  6503.27  107.434  6509.73  145.648  6495.55  159.112  220.149   2.4632  219.906   2.6939 0.2433777 3.650219 
1 1 1   10    1    9 o  155.049   1.3899  3228.66   57.884  3258.88   82.348  3199.14   81.382  155.769   1.9682  154.335   1.9632 1.434250 2.779974 
1 1 1   10    1   10 o  349.182   2.7046 16377.87  253.656 16413.82  359.238 16342.12  358.211  349.529   3.8265  348.764   3.8240 0.7642517 5.409733 
1 1 1   10    1   11 o  828.387   6.3459 92273.99  1411.94 93606.22  2016.35 90992.25  1977.77  833.810   9.0034  822.097   8.9570 11.71375 12.69995 
1 1 1   10    1   12 o  354.155   2.8636 16848.98  272.396 16782.37  367.807 16929.89  405.379  353.411   3.8748  354.942   4.2522 -1.530609 5.752828 
1 1 1   10    1   13 o  137.584   1.5024  2542.38   55.521  2520.92   73.082  2571.66   85.381  136.998   1.9861  138.366   2.2974 -1.368179 3.036914 
1 1 1   10    1   14 o  374.469   3.3451 18841.90  336.450 18963.23  413.738 18605.00  578.103  375.623   4.1009  371.912   5.7873 3.711517 7.092948 
1 1 1   10    1   15 o  359.520   3.2149 17368.23  310.443 17105.16  461.016 17586.49  419.921  356.662   4.8125  361.689   4.3226 -5.027740 6.468712 
1 1 1   10    1   16 o  339.073   2.7471 15447.42  250.181 15376.62  337.680 15533.59  372.496  338.227   3.7171  339.918   4.0799 -1.691376 5.519313 
1 1 1   10    1   17 o  167.197   1.7790  3755.11   79.891  3738.48  148.782  3761.84   94.702  166.779   3.3214  167.339   2.1070 -0.5606537 3.933312 
1 1 1   10    1   18 o  247.871   2.3892  8255.03  159.063  8178.19  223.714  8333.59  226.204  246.657   3.3768  248.989   3.3824 -2.332108 4.779516 
1 1 1   10    1   19 f  135.807   1.6127  2477.49   58.824  2510.05  102.644  2461.56   71.781  136.665   2.7963  135.362   1.9743 1.302612 3.423058 
1 1 1   10    1   20 o  249.585   1.9632  8368.71  131.609  8430.32  186.978  8308.21  185.280  250.456   2.7795  248.636   2.7744 1.820053 3.927222 
1 1 1   10    1   21 o  210.210   1.8344  5936.26  103.569  5924.54  146.210  5948.07  146.729  209.968   2.5926  210.384   2.5966 -0.4163971 3.669329 
1 1 1   10    1   22 o  250.162   1.9686  8407.66  132.275  8498.29  188.364  8319.48  185.792  251.457   2.7890  248.798   2.7803 2.658890 3.938046 
1 1 1   10    1   23 o  146.342   1.4903  2876.76   58.577  3035.41   98.658  2790.39   72.798  150.293   2.4440  144.118   1.8806 6.174957 3.083807 
1 1 1   10    1   24 o  153.393   1.3879  3160.56   57.181  3195.84   81.397  3126.19   80.345  154.230   1.9649  152.540   1.9610 1.689972 2.776091 
1 1 1   10    1   25 o  348.419   2.7047 16317.36  253.110 16203.71  356.375 16433.04  359.550  347.051   3.8232  349.497   3.8302 -2.446106 5.411748 
1 1 1   10    1   26 o  146.900   1.6010  2899.03   63.169  2878.32   83.281  2927.10   96.935  146.356   2.1186  147.576   2.4455 -1.220474 3.235572 
1 1 1   10    1   27 o   73.525   0.8635  726.063   17.052  731.123   27.187  722.781   21.895   73.774   1.3720   73.356   1.1113 0.4186325 1.765605 
1 1 1   10    1   28 o  119.822   1.6120  1928.94   51.878  1899.10   81.303  1949.44   67.377  118.853   2.5469  120.439   2.0828 -1.586151 3.290070 
1 1 1   10    1   29 o  132.573   1.2428  2361.01   44.253  2399.60   70.620  2336.06   56.784  133.623   1.9677  131.858   1.6033 1.764923 2.538197 
1 1 1   10    1   30 o  153.769   1.2782  3176.50   52.791  3163.34   74.459  3189.80   74.857  153.423   1.8069  154.063   1.8090 -0.6402893 2.556837 
1 1 1   10    1   31 o   91.625   0.9652  1127.68   23.753  1157.44   31.005  1085.40   36.958   92.819   1.2437   89.875   1.5310 2.943657 1.972485 
1 1 1   10    1   32 o   9.3512   2.0370   12.216   4.9714   13.039   6.8791   11.318   7.1927   9.6794   2.5936   9.1246   2.7258 0.5547228 3.762516 
1 1 1   10    1   33 o   85.074   1.1342  972.411   25.917  966.387   39.825  976.836   34.134   84.785   1.7488   85.254   1.4907 -0.4692612 2.297911 
1 1 1   10    1   34 o   52.215   0.9826  366.283   13.780  377.579   20.771  357.403   18.417   53.002   1.4591   51.570   1.3296 1.431789 1.974047 
1 1 1   10    1   35 o   79.860   0.9664  856.859   20.728  885.209   28.060  822.810   30.752   81.157   1.2873   78.236   1.4634 2.921333 1.949044 
1 1 1   10    1   36 f   99.659   0.9790  1334.47   26.204  1372.19   39.479  1304.77   35.034  101.027   1.4549   98.523   1.3239 2.503891 1.967119 
1 1 1   10    1   37 o   48.109   0.9053  310.966   11.698  292.196   18.967  322.489   14.861   46.615   1.5149   48.986   1.1295 -2.370995 1.889620 
1 1 1   10    1   38 o   68.785   0.7901  635.658   14.598  644.381   20.732  627.081   20.559   69.242   1.1147   68.306   1.1206 0.9360733 1.580626 
1 1 1   10    1   39 o   59.126   0.7303  469.647   11.598  470.395   15.783  468.770   17.099   59.163   0.9932   59.058   1.0780 0.1058311 1.465782 
1 1 1   10    1   40 o   42.931   0.8123  247.639   9.3663  256.926   12.519  235.829   14.117   43.720   1.0661   41.880   1.2550 1.840511 1.646663 
1 1 1   10    1   41 o   29.665   0.8815  118.260   7.0238  120.058   9.9332  116.462   9.9330   29.879   1.2377   29.428   1.2567 0.4515057 1.763868 
1 1 1   10    1   42 o   64.801   0.7816  564.289   13.603  556.958   20.952  569.631   17.886   64.351   1.2122   65.093   1.0230 -0.7419815 1.586193 
1 1 1   10    1   43 o   47.862   0.8208  307.880   10.551  303.803   15.849  311.124   14.140   47.519   1.2418   48.098   1.0945 -0.5788574 1.655272 
1 1 1   10    1   44 o   59.504   0.9318  476.047   14.893  456.225   19.566  503.347   22.962   58.225   1.2512   61.142   1.3982 -2.917290 1.876291 
1 1 1   10    1   45 o   36.438   0.8495  178.499   8.3138  182.584   11.789  174.458   11.726   36.834   1.1916   36.004   1.2126 0.8303947 1.700110 
1 1 1   10    1   46 o   58.644   1.0293  462.627   16.213  465.491   23.178  459.883   22.689   58.775   1.4682   58.422   1.4459 0.3521118 2.060653 
1 1 1   10    1   47 o   41.933   0.8981  236.461   10.115  237.345   14.821  235.690   13.838   41.979   1.3144   41.840   1.2314 0.1392517 1.801155 
1 1 1   10    1   48 o   52.215   0.8437  366.615   11.833  379.843   16.230  351.604   17.289   53.121   1.1376   51.094   1.2598 2.026268 1.697389 
1 1 1   10    1   49 o   33.132   0.9393  147.676   8.3590  149.350   11.671  145.912   11.978   33.292   1.3052   32.902   1.3554 0.3898277 1.881645 
1 1 1   10    1   50 o   32.798   1.0466  144.811   9.2201  160.111   14.792  135.089   11.791   34.432   1.5995   31.649   1.3870 2.782825 2.117117 
1 1 1   10    1   51 o   28.064   1.0429  106.050   7.8610  104.434   11.022  107.723   11.214   27.773   1.4829   28.208   1.4854 -0.4346333 2.098945 
1 1 1   10    1   52 o   42.536   0.9889  243.598   11.298  244.872   16.379  242.441   15.604   42.588   1.4319   42.385   1.3707 0.2024994 1.982197 
1 1 1   10    1   53 o   65.187   0.8701  571.843   15.235  568.895   21.595  574.765   21.496   64.951   1.2379   65.288   1.2258 -0.3368607 1.742107 
1 1 1   10    1   54 o   43.038   0.9596  249.384   11.093  244.859   16.871  252.830   14.723   42.573   1.4754   43.294   1.2661 -0.7213554 1.944201 
1 1 1   10    1   55 o   24.929   1.3527   84.133   9.0232   81.614   11.792   87.692   14.016   24.474   1.8066   25.317   2.0796 -0.8423843 2.754749 
1 1 1   10    1   56 o   40.984   1.0160  226.286   11.184  229.526   14.889  222.090   16.942   41.228   1.3446   40.516   1.5569 0.7112541 2.057115 
1 1 1   10    1   57 o   44.197   1.0210  263.270   12.120  251.846   18.875  271.285   15.810   43.108   1.6302   44.812   1.3135 -1.704182 2.093531 
1 1 1   10    1   58 o   19.723   1.5025   53.017   7.8997   61.656   11.345   44.885   11.006   21.161   2.0206   17.943   2.3395 3.218016 3.091353 
1 1 1   10    1   59 o   37.132   1.2195  186.500   12.162  192.328   17.244  180.731   17.156   37.578   1.7085   36.414   1.7541 1.164284 2.448660 
1 1 1   10    1   60 o   33.621   1.1457  152.948   10.346  152.665   14.688  153.227   14.575   33.460   1.6344   33.527   1.6186 -0.6639481E-01 2.300192 
1 1 1   10    1   61 o   31.056   1.2640  130.918   10.543  129.330   14.567  132.665   15.280   30.660   1.7765   31.026   1.8418 -0.3663349 2.558989 
1 1 1   10    1   62 o   23.208   1.7239   74.401   10.669   52.415   15.844   92.640   14.431   18.779   3.2594   25.741   2.1057 -6.962818 3.880422 
1 1 1   10    2  -62 o   8.6478   3.8233  -1.2140   17.486 -26.8200   26.079   19.700   23.569   8.4246   4.0353   12.301   4.8478 -3.875911 6.307564 
1 1 1   10    2  -61 o   8.2697   2.9597   8.6539   8.3324   6.8222   11.285   10.850   12.356   8.4730   3.3497   9.5027   3.5700 -1.029675 4.895415 
1 1 1   10    2  -60 o   7.6449   2.8605   6.5116   7.9167   20.112   11.352  -6.3649   11.046   11.684   3.4073   6.3368   2.8978 5.347600 4.472957 
1 1 1   10    2  -59 o   5.3771   2.3972  -2.4751   7.0180   9.4354   9.9862 -14.0975   9.8647   8.8611   3.2307   5.0954   2.4514 3.765747 4.055467 
1 1 1   10    2  -58 o   33.069   1.0966  147.625   9.7399  148.972   13.770  146.277   13.779   33.135   1.5472   32.831   1.5625 0.3044395 2.198942 
1 1 1   10    2  -57 o   34.363   1.0186  159.176   9.4013  163.335   13.675  155.449   12.946   34.739   1.4656   33.898   1.4218 0.8412971 2.041985 
1 1 1   10    2  -56 o   42.380   0.9790  241.934   11.144  237.343   15.839  246.436   15.683   41.908   1.4071   42.710   1.3671 -0.8027496 1.961900 
1 1 1   10    2  -55 o   15.875   2.2480   34.990   9.3172   44.426   14.788   28.779   11.998   17.666   3.2357   14.157   3.2272 3.509309 4.569926 
1 1 1   10    2  -54 o   6.3820   2.5969   2.2680   6.9895  -3.2455   10.718   6.3480   9.2198   6.7396   2.9858   8.0466   3.0697 -1.306984 4.282323 
1 1 1   10    2  -53 f   36.947   0.9163  183.754   9.0935  186.715   12.979  180.899   12.744   37.201   1.2990   36.617   1.2958 0.5835876 1.834797 
1 1 1   10    2  -52 o   14.479   1.7490   28.786   6.6639   30.810   9.4630   26.794   9.3860   14.839   2.4604   13.779   2.6321 1.060276 3.602954 
1 1 1   10    2  -51 o   11.624   2.0937   18.892   6.2965   8.4989   8.9738   28.969   8.8369   8.5273   3.0695   14.406   2.3661 -5.878324 3.875546 
1 1 1   10    2  -50 o   15.129   1.5872   31.248   6.3533   31.432   9.0123   31.066   8.9578   15.041   2.3043   14.951   2.3048 0.8969593E-01 3.259120 
1 1 1   10    2  -49 o   7.9548   2.4755   8.5563   5.8532   5.4366   8.2521   11.715   8.3034   7.5850   2.9017   9.3239   2.9552 -1.738899 4.141622 
1 1 1   10    2  -48 o   21.215   1.2009   60.798   6.8147   57.781   9.6028   63.859   9.6725   20.610   1.7513   21.686   1.6736 -1.075449 2.422386 
1 1 1   10    2  -47 o   38.498   0.9852  199.379   10.188  188.650   13.282  214.715   15.879   37.423   1.3214   39.909   1.4813 -2.486210 1.985033 
1 1 1   10    2  -46 o   77.089   0.8937  799.115   18.505  806.864   27.610  792.795   24.935   77.401   1.3281   76.742   1.2097 0.6590881 1.796452 
1 1 1   10    2  -45 o   57.126   0.8702  438.759   13.351  431.901   18.777  445.771   18.988   56.645   1.2342   57.548   1.2284 -0.9029503 1.741327 
1 1 1   10    2  -44 o   54.543   0.9271  400.006   13.583  394.324   20.014  404.857   18.494   54.116   1.3769   54.846   1.2554 -0.7301903 1.863335 
1 1 1   10    2  -43 f   70.399   0.9043  666.249   17.099  668.474   24.176  664.022   24.189   70.481   1.2771   70.245   1.2820 0.2356262 1.809582 
1 1 1   10    2  -42 o   71.034   0.8547  678.172   16.307  698.061   22.162  654.691   24.081   72.045   1.1453   69.758   1.2852 2.286819 1.721496 
1 1 1   10    2  -41 o   34.996   0.8253  164.578   7.7574  161.451   10.668  168.087   11.301   34.651   1.1462   35.355   1.1900 -0.7032738 1.652282 
1 1 1   10    2  -40 o   37.888   0.8530  192.899   8.6803  200.555   11.984  184.447   12.590   38.623   1.1552   37.036   1.2657 1.587601 1.713601 
1 1 1   10    2  -39 o   29.881   0.9064  119.980   7.2749  117.844   9.3685  123.224   11.546   29.608   1.1781   30.269   1.4202 -0.6614399 1.845192 
1 1 1   10    2  -38 o   38.592   0.8367  200.100   8.6728  196.571   13.409  202.638   11.371   38.237   1.3057   38.829   1.0903 -0.5921135 1.701054 
1 1 1   10    2  -37 o   21.511   1.0226   62.181   5.9080   53.788   8.3139   70.743   8.3972   19.937   1.5651   22.898   1.3717 -2.960314 2.081151 
1 1 1   10    2  -36 o  136.729   1.1681  2512.50   42.899  2547.76   61.128  2478.27   60.218  137.634   1.6536  135.744   1.6516 1.889725 2.337136 
1 1 1   10    2  -35 f   60.496   0.8118  491.654   13.190  500.713   20.644  485.403   17.147   61.037   1.2592   60.104   1.0622 0.9336586 1.647379 
1 1 1   10    2  -34 o  121.004   1.2891  1967.73   41.896  2012.01   53.738  1899.12   66.901  122.331   1.6355  118.806   2.0965 3.524994 2.659017 
1 1 1   10    2  -33 o   57.349   0.8977  441.811   13.828  459.241   18.044  417.011   21.524   58.463   1.1491   55.703   1.4386 2.760544 1.841238 
1 1 1   10    2  -32 o  125.032   1.1919  2100.39   40.028  2073.21   56.142  2128.49   57.086  124.193   1.6831  125.837   1.6890 -1.644577 2.384417 
1 1 1   10    2  -31 o  175.058   1.4273  4117.79   67.110  4212.31   96.162  4028.03   93.702  177.007   2.0227  173.093   2.0155 3.914490 2.855404 
1 1 1   10    2  -30 o   30.327   0.8428  123.537   6.8655  126.254   8.9799  119.714   10.651   30.657   1.0906   29.851   1.3285 0.8065681 1.718767 
1 1 1   10    2  -29 o  208.750   1.6682  5855.43   93.536  5748.84  130.739  5967.19  133.875  206.784   2.3540  210.673   2.3659 -3.889252 3.337464 
1 1 1   10    2  -28 o  176.256   1.4334  4173.58   67.859  4206.42   96.362  4141.27   95.577  176.916   2.0279  175.540   2.0271 1.375397 2.867347 
1 1 1   10    2  -27 o  168.024   1.5077  3792.82   68.043  3732.65   95.281  3855.46   97.202  166.656   2.1286  169.375   2.1367 -2.718979 3.015985 
1 1 1   10    2  -26 o  207.172   1.7279  5766.44   96.146  5733.25  129.730  5806.87  143.209  206.539   2.3385  207.844   2.5653 -1.305496 3.471257 
1 1 1   10    2  -25 o  126.276   1.1860  2141.80   40.225  2161.89   52.240  2112.55   63.044  126.859   1.5332  125.393   1.8719 1.465355 2.419619 
1 1 1   10    2  -24 o  171.266   1.5260  3940.28   70.197  3961.00  111.074  3926.50   90.579  171.681   2.4088  170.951   1.9727 0.7298889 3.113491 
1 1 1   10    2  -23 o  106.023   0.9489  1509.74   27.021  1502.25   38.091  1517.33   38.339  105.754   1.3410  106.284   1.3430 -0.5296326 1.897890 
1 1 1   10    2  -22 o  190.165   1.5277  4857.71   78.031  4973.68  111.916  4748.00  108.852  192.398   2.1657  187.983   2.1559 4.415161 3.055834 
1 1 1   10    2  -21 o  296.189   2.3103 11787.88  183.793 11663.38  258.268 11915.63  261.610  294.541   3.2646  297.709   3.2717 -3.167450 4.621869 
1 1 1   10    2  -20 o  339.890   2.6376 15525.23  240.792 15507.92  340.303 15542.58  340.759  339.584   3.7310  339.963   3.7318 -0.3791199 5.277036 
1 1 1   10    2  -19 o  176.479   1.6458  4183.70   78.011  4094.74  115.407  4258.54  105.857  174.565   2.4614  178.032   2.2138 -3.467072 3.310482 
1 1 1   10    2  -18 o   82.826   0.9238  921.361   20.550  922.101   27.875  920.480   30.416   82.857   1.2526   82.783   1.3679 0.7399750E-01 1.854766 
1 1 1   10    2  -17 o  234.033   1.9295  7357.84  121.288  7479.32  181.849  7260.50  162.784  235.913   2.8699  232.451   2.6073 3.462967 3.877404 
1 1 1   10    2  -16 o   78.139   1.0276  820.032   21.566  838.386   33.559  807.120   28.147   79.004   1.5815   77.519   1.3519 1.485229 2.080556 
1 1 1   10    2  -15 o  142.054   1.3693  2710.34   52.244  2785.76   79.792  2653.75   69.121  144.006   2.0629  140.557   1.8309 3.449432 2.758245 
1 1 1   10    2  -14 o  133.292   1.3806  2386.24   49.426  2377.02   69.739  2395.55   70.060  133.027   1.9518  133.544   1.9532 -0.5174255 2.761297 
1 1 1   10    2  -13 o   92.537   1.0623  1150.04   26.402  1117.42   36.832  1184.52   37.866   91.212   1.5034   93.911   1.5012 -2.698677 2.124612 
1 1 1   10    2  -12 o   71.580   1.3052  688.136   25.093  696.323   35.687  680.131   35.289   72.002   1.8453   71.160   1.8464 0.8420639 2.610410 
1 1 1   10    2  -11 o  281.084   2.5365 10613.05  191.498 10482.48  255.012 10781.90  289.986  279.323   3.3991  283.268   3.8114 -3.945251 5.106922 
1 1 1   10    2  -10 o  407.995   3.4528 22363.66  378.368 23013.73  545.427 21760.62  525.325  413.798   4.9075  402.378   4.8607 11.42050 6.907229 
1 1 1   10    2   -9 o  300.057   2.4415 12093.40  196.768 12452.13  332.453 11899.98  244.119  304.426   4.0659  297.633   3.0537 6.793304 5.084947 
1 1 1   10    2   -8 o  428.306   3.4482 24644.26  396.676 24753.21  589.741 24554.24  536.061  429.164   5.1162  427.462   4.6690 1.701843 6.926391 
1 1 1   10    2   -7 o  1016.60   7.7855 139018.00  2125.84 142856.09  3351.69 136434.70  2749.69  1029.35   12.123  1006.53   10.171 22.81378 15.82455 
1 1 1   10    2   -6 o  650.699   4.9907 56898.66  872.236 56313.70  1341.09 57327.51  1148.28  647.055   7.7166  652.995   6.5471 -5.939331 10.11979 
1 1 1   10    2   -5 o  537.428   5.0561 38813.35  729.842 39053.80  1196.43 38670.84  921.068  538.800   8.2673  536.337   6.3938 2.463379 10.45132 
1 1 1   10    2   -4 o  188.631   1.8500  4778.87   93.730  4699.02  185.568  4806.21  108.601  187.025   3.6941  189.167   2.1375 -2.142410 4.267935 
1 1 1   10    2   -3 o  263.514   2.5253  9326.88  178.736  9373.13  226.845  9251.16  290.264  264.154   3.1973  262.408   4.1183 1.745880 5.213762 
1 1 1   10    2   -2 o  733.784   6.4932 72383.34  1279.72 73535.80  1734.41 71006.20  1895.96  739.299   8.7345  726.314   9.7188 12.98547 13.06705 
1 1 1   10    2   -1 f  211.329   1.9351  5998.19  109.838  6070.64  148.587  5910.90  163.093  212.594   2.6022  209.774   2.8946 2.819702 3.892322 
1 1 1   10    2    0 o  365.462   3.2632 17941.45  320.314 17852.40  428.358 18054.41  482.434  364.517   4.3752  366.552   4.9002 -2.035217 6.569156 
1 1 1   10    2    1 f   95.685   1.7287  1229.66   44.427  1239.76   54.669  1210.00   76.237   96.076   2.1185   94.911   2.9906 1.165268 3.664965 
1 1 1   10    2    2 o  282.958   2.7021 10754.32  205.362 10704.71  259.076 10838.19  336.852  282.290   3.4170  284.018   4.4157 -1.727814 5.583383 
1 1 1   10    2    3 o  239.820   2.0657  7724.63  133.058  7687.02  187.665  7762.66  188.685  239.223   2.9207  240.397   2.9222 -1.174118 4.131588 
1 1 1   10    2    4 o  367.964   3.1169 18187.61  308.047 18220.35  436.284 18155.06  435.007  368.250   4.4110  367.590   4.4060 0.6602478 6.234505 
1 1 1   10    2    5 o  289.352   2.4692 11245.60  191.903 11214.63  270.863 11276.81  271.925  288.931   3.4903  289.731   3.4943 -0.7997437 4.938863 
1 1 1   10    2    6 o  531.075   4.2608 37894.70  607.777 37433.13  894.065 38291.25  828.705  527.683   6.3082  533.741   5.7807 -6.058105 8.556228 
1 1 1   10    2    7 o  363.302   2.9354 17729.61  286.437 18004.58  428.891 17508.21  384.845  366.058   4.3622  360.992   3.9691 5.065338 5.897693 
1 1 1   10    2    8 o  402.641   3.8059 21780.97  411.592 21288.50  573.143 22305.40  591.447  397.983   5.3617  407.375   5.4054 -9.391785 7.613603 
1 1 1   10    2    9 o  388.853   3.4692 20313.81  362.328 20452.71  488.758 20144.34  539.864  390.122   4.6645  387.140   5.1919 2.982758 6.979449 
1 1 1   10    2   10 o  359.147   3.0455 17327.69  293.776 17648.84  420.049 17020.21  411.022  362.404   4.3153  355.892   4.2999 6.511963 6.091885 
1 1 1   10    2   11 o  279.972   2.3951 10528.98  180.105 10519.00  254.382 10539.00  255.034  279.810   3.3848  280.075   3.3902 -0.2656250 4.790668 
1 1 1   10    2   12 o   87.258   1.0720  1022.58   25.124  1049.54   33.586  988.313   37.859   88.400   1.4145   85.781   1.6432 2.618668 2.168173 
1 1 1   10    2   13 o  391.770   3.1620 20622.18  332.722 20657.83  494.321 20592.66  449.890  391.993   4.6950  391.410   4.2794 0.5833130 6.352678 
1 1 1   10    2   14 o  420.344   3.2432 23742.59  366.162 23436.32  513.215 24060.13  522.574  417.502   4.5767  423.020   4.5993 -5.517517 6.488423 
1 1 1   10    2   15 o  218.383   1.8958  6406.21  111.198  6395.95  157.098  6416.52  157.417  218.183   2.6808  218.534   2.6819 -0.3504791 3.791965 
1 1 1   10    2   16 o  216.033   1.7908  6269.09  103.910  6212.21  153.092  6317.67  141.494  215.020   2.6508  216.847   2.4294 -1.826431 3.595655 
1 1 1   10    2   17 o  148.056   1.2796  2944.25   50.885  2966.15   69.243  2918.54   75.028  148.597   1.7349  147.397   1.8952 1.200836 2.569336 
1 1 1   10    2   18 o  155.438   1.5663  3245.44   65.393  3206.67  105.974  3269.27   83.101  154.479   2.5541  155.997   1.9833 -1.518799 3.233742 
1 1 1   10    2   19 o  136.537   1.6265  2504.23   59.647  2524.58   84.805  2484.30   83.910  137.074   2.3034  135.976   2.2975 1.097549 3.253366 
1 1 1   10    2   20 o  311.620   2.6578 13050.16  222.451 12848.53  348.275 13189.09  289.109  309.042   4.1958  313.201   3.4367 -4.158508 5.423627 
1 1 1   10    2   21 o  301.099   2.3474 12182.12  189.840 12214.39  268.924 12150.06  268.026  301.413   3.3218  300.618   3.3195 0.7945862 4.696105 
1 1 1   10    2   22 o  131.337   1.2933  2316.92   45.624  2319.05   68.499  2315.22   61.166  131.382   1.9411  131.279   1.7347 0.1030731 2.603294 
1 1 1   10    2   23 o  116.314   1.0189  1817.08   31.830  1813.64   44.950  1820.54   45.080  116.197   1.4403  116.418   1.4417 -0.2208405 2.037862 
1 1 1   10    2   24 o  123.277   1.3912  2041.40   46.065  2022.52   69.929  2055.87   61.227  122.687   2.1221  123.703   1.8428 -1.015388 2.810531 
1 1 1   10    2   25 o  146.372   1.2216  2877.81   48.026  2861.59   67.683  2894.25   68.156  145.945   1.7266  146.776   1.7289 -0.8305054 2.443400 
1 1 1   10    2   26 o  280.396   2.2931 10566.44  172.699 10557.80  255.977 10573.66  233.971  280.157   3.4018  280.405   3.1066 -0.2483826 4.606853 
1 1 1   10    2   27 o   99.911   1.0654  1340.80   28.590  1289.45   42.262  1384.12   38.822   97.968   1.6061  101.505   1.4239 -3.537003 2.146430 
1 1 1   10    2   28 o  161.859   1.3337  3519.42   57.981  3528.92   82.143  3510.00   81.852  162.051   1.8872  161.616   1.8856 0.4349823 2.667817 
1 1 1   10    2   29 o   73.058   0.7889  716.881   15.481  694.105   21.622  740.836   22.175   71.883   1.1199   74.264   1.1117 -2.380539 1.578035 
1 1 1   10    2   30 o   66.440   0.9520  592.935   16.989  579.021   23.684  607.681   24.383   65.649   1.3432   67.254   1.3498 -1.604935 1.904262 
1 1 1   10    2   31 o  140.608   1.4518  2656.62   54.830  2633.58   69.105  2695.76   90.080  139.973   1.8381  141.574   2.3689 -1.600281 2.998425 
1 1 1   10    2   32 o  110.945   1.4225  1654.07   42.388  1641.67   51.569  1679.89   74.424  110.511   1.7374  111.735   2.4799 -1.223747 3.027937 
1 1 1   10    2   33 o  142.988   1.3966  2747.73   53.636  2728.70   65.424  2786.73   93.667  142.467   1.7097  143.895   2.4235 -1.428650 2.965939 
1 1 1   10    2   34 o   91.468   1.0924  1124.14   26.838  1095.33   37.697  1153.76   38.219   90.265   1.5549   92.642   1.5360 -2.377113 2.185592 
1 1 1   10    2   35 f   85.298   0.8567  977.460   19.627  987.200   27.821  967.809   27.692   85.707   1.2085   84.861   1.2150 0.8462601 1.713677 
1 1 1   10    2   36 o  164.103   1.4820  3620.89   65.322  3623.32   92.380  3618.46   92.379  164.060   2.0965  163.949   2.0978 0.1103821 2.965818 
1 1 1   10    2   37 o   80.954   1.0200  880.669   22.178  859.388   31.150  902.547   31.583   79.945   1.4507   81.929   1.4352 -1.983948 2.040682 
1 1 1   10    2   38 o   16.368   1.4034   36.288   6.1097   38.061   10.120   35.271   7.6642   16.646   2.3271   16.089   1.8047 0.5569954 2.944896 
1 1 1   10    2   39 o   81.279   0.8403  887.640   18.345  890.996   24.126  883.041   28.246   81.417   1.1033   81.039   1.2977 0.3779907 1.703289 
1 1 1   10    2   40 o   88.080   0.8467  1042.48   20.031  1056.84   27.410  1026.01   29.346   88.662   1.1510   87.351   1.2508 1.311340 1.699799 
1 1 1   10    2   41 o   71.239   0.8124  681.974   15.545  684.188   22.012  679.771   21.954   71.333   1.1489   71.102   1.1496 0.2306671 1.625299 
1 1 1   10    2   42 o   20.099   1.1919   54.527   6.4057   52.843   9.9800   55.707   8.3536   19.706   1.9095   20.282   1.5451 -0.5760059 2.456331 
1 1 1   10    2   43 f   31.132   0.9401  130.303   7.8609  139.403   10.831  120.176   11.427   32.187   1.2529   29.876   1.4239 2.310568 1.896655 
1 1 1   10    2   44 o   36.966   0.8147  183.686   8.0894  175.072   12.270  190.308   10.759   36.066   1.2667   37.614   1.0649 -1.548939 1.654820 
1 1 1   10    2   45 o   24.414   1.0185   80.171   6.6789   84.443   9.4911   75.981   9.4004   24.997   1.4195   23.700   1.4842 1.297041 2.053726 
1 1 1   10    2   46 o   50.268   0.8296  339.728   11.200  336.516   16.180  342.683   15.520   49.999   1.2048   50.461   1.1451 -0.4617691 1.662179 
1 1 1   10    2   47 o   63.289   1.1125  539.078   18.912  537.219   24.272  541.952   30.172   63.136   1.4313   63.353   1.7731 -0.2175827 2.278749 
1 1 1   10    2   48 o   25.096   1.0569   84.755   7.1241   88.966   10.234   80.796   9.9231   25.642   1.4924   24.428   1.5199 1.213255 2.130123 
1 1 1   10    2   49 o   22.930   1.2733   71.066   7.8113   75.708   10.699   65.766   11.431   23.613   1.6983   21.958   1.9588 1.655504 2.592494 
1 1 1   10    2   50 o   58.871   0.8555  466.215   13.527  445.707   18.282  491.029   20.109   57.517   1.1834   60.361   1.2404 -2.844028 1.714340 
1 1 1   10    2   51 o   13.157   1.9804   23.984   6.7815   23.227   9.9532   24.640   9.2646   12.764   2.9606   13.193   2.7053 -0.4292412 4.010459 
1 1 1   10    2   52 o   59.765   1.0257  481.035   16.465  463.677   21.397  506.241   25.783   58.615   1.3591   61.196   1.5686 -2.581436 2.075487 
1 1 1   10    2   53 f   14.069   2.0503   27.435   7.5202   18.416   11.885   33.457   9.7116   11.483   3.5199   15.485   2.4137 -4.002234 4.267942 
1 1 1   10    2   54 o   38.204   1.0317  196.594   10.587  204.555   14.254  186.798   15.811   38.927   1.3633   37.165   1.5839 1.761559 2.089825 
1 1 1   10    2   55 o   25.480   1.2101   87.558   8.2813   72.068   11.819  102.498   11.607   22.962   1.9343   27.483   1.5791 -4.520632 2.497039 
1 1 1   10    2   56 o   37.880   1.0096  193.324   10.272  201.261   14.758  185.864   14.307   38.588   1.4239   37.081   1.4365 1.507504 2.022588 
1 1 1   10    2   57 o   11.734   2.5857   19.646   7.9297   25.123   10.504   12.388   12.092   13.210   3.0255   10.001   3.5670 3.208459 4.677240 
1 1 1   10    2   58 o   25.962   1.2778   91.155   8.9100   85.627   13.518   95.400   11.847   24.951   2.0349   26.442   1.6769 -1.491159 2.636820 
1 1 1   10    2   59 o   8.0925   2.9624   7.6715   8.4081   19.183   12.061  -3.2140   11.728   11.527   3.5479   7.0050   3.1124 4.522491 4.719594 
1 1 1   10    2   60 o   21.922   1.7413   66.112   10.168   55.810   14.753   75.435   14.034   19.726   2.8686   23.237   2.2779 -3.511051 3.662996 
1 1 1   10    2   61 o   24.825   1.7918   85.054   11.867   31.338   20.405  112.506   14.587   14.181   4.6450   28.515   1.9157 -14.33406 5.024539 
1 1 1   10    2   62 o   14.251   2.6786   29.677   9.8765   35.717   12.973   21.348   15.233   15.416   3.2362   11.929   4.0167 3.486865 5.158174 
1 1 1   10    3  -61 f   17.054   4.1155   45.497   18.635   0.0000   0.0000   45.497   18.635  ?   ?    17.054   4.1155 0.000000 4.115462 
1 1 1   10    3  -60 o   19.276   1.7799   51.320   9.1110   56.108   12.123   45.107   13.811   19.984   2.3006   17.607   3.0296 2.377371 3.804123 
1 1 1   10    3  -59 o   43.179   1.1051  252.061   12.816  242.793   16.189  267.627   20.979   42.285   1.4254   44.266   1.7645 -1.980633 2.268316 
1 1 1   10    3  -58 o   21.806   1.3857   64.673   8.0738   70.085   11.398   59.223   11.438   22.582   1.8968   20.695   2.0863 1.887712 2.819628 
1 1 1   10    3  -57 o   28.513   1.1230  109.709   8.6002  101.638   12.420  117.144   11.920   27.307   1.7019   29.366   1.5165 -2.059250 2.279480 
1 1 1   10    3  -56 o   36.934   1.1084  183.947   10.996  188.533   15.489  179.287   15.613   37.319   1.5452   36.383   1.5977 0.9365997 2.222677 
1 1 1   10    3  -55 o   9.4116   2.9467   12.139   8.2794   14.505   11.783   9.8320   11.636   10.486   3.5327   9.3850   3.4764 1.101172 4.956386 
1 1 1   10    3  -54 o   25.331   1.1544   86.499   7.8542   81.268   11.125   91.698   11.090   24.440   1.7054   25.988   1.5966 -1.547777 2.336071 
1 1 1   10    3  -53 f   25.003   1.2908   84.571   8.6386   84.973   12.529   84.207   11.927   24.961   1.8827   24.865   1.7980 0.9646416E-01 2.603318 
1 1 1   10    3  -52 o   11.421   2.2012   18.331   6.5078   16.098   9.1282   20.640   9.2805   10.676   3.0381   12.025   2.9058 -1.349044 4.204050 
1 1 1   10    3  -51 o   22.729   1.1779   69.816   7.1663   75.310   10.149   64.354   10.120   23.547   1.6145   21.735   1.7483 1.811104 2.379765 
1 1 1   10    3  -50 o   47.717   0.8586  306.321   11.005  305.825   15.141  306.876   16.022   47.640   1.1833   47.713   1.2503 -0.7242203E-01 1.721420 
1 1 1   10    3  -49 o   28.344   1.0041  108.125   7.6440  105.961   10.826  110.277   10.795   27.989   1.4450   28.595   1.4055 -0.6053791 2.015802 
1 1 1   10    3  -48 f   21.981   1.1956   65.259   7.0321   72.356   10.299   59.060   9.6249   23.089   1.6721   20.838   1.7354 2.250441 2.409908 
1 1 1   10    3  -47 o   32.950   1.0524  146.096   9.3134  146.265   11.880  145.826   15.001   32.948   1.3425   32.822   1.7075 0.1260910 2.172077 
1 1 1   10    3  -46 f   5.3776   2.2981  -0.1804   5.8849  -0.0628   8.9166  -0.2711   7.8332   6.6424   2.8334   6.1889   2.6482 0.4535074 3.878355 
1 1 1   10    3  -45 o   66.143   0.8066  588.137   14.329  601.732   20.404  574.906   20.129   66.869   1.1360   65.361   1.1466 1.508812 1.614063 
1 1 1   10    3  -44 o   47.672   0.9427  305.604   12.070  312.615   18.604  300.506   15.862   48.174   1.4378   47.250   1.2499 0.9247551 1.905125 
1 1 1   10    3  -43 o   50.148   0.8835  338.073   11.900  337.396   16.717  338.768   16.944   50.072   1.2430   50.172   1.2574 -0.1004868 1.768086 
1 1 1   10    3  -42 o   75.965   0.8739  775.667   17.830  762.262   23.895  792.508   26.783   75.278   1.1818   76.744   1.2994 -1.465851 1.756433 
1 1 1   10    3  -41 o   40.269   0.8807  217.948   9.5258  206.484   14.295  227.105   12.776   39.175   1.3586   41.095   1.1575 -1.920135 1.784770 
1 1 1   10    3  -40 o   29.956   0.8515  120.585   6.8507  119.137   9.6636  122.048   9.7134   29.766   1.2087   30.127   1.2004 -0.3615952 1.703519 
1 1 1   10    3  -39 o   44.670   0.8345  268.119   10.012  251.682   13.784  286.471   14.566   43.267   1.1861   46.161   1.1748 -2.894035 1.669443 
1 1 1   10    3  -38 o  107.017   0.9821  1539.06   28.228  1558.51   40.192  1520.13   39.654  107.655   1.3900  106.321   1.3886 1.333641 1.964764 
1 1 1   10    3  -37 o   37.028   0.8313  184.206   8.2678  176.653   12.697  189.767   10.894   36.249   1.3041   37.577   1.0794 -1.327740 1.692856 
1 1 1   10    3  -36 f   92.237   0.8915  1143.07   22.087  1151.76   31.367  1134.53   31.106   92.565   1.2616   91.870   1.2606 0.6949997 1.783491 
1 1 1   10    3  -35 o   80.796   0.9039  877.064   19.615  882.874   30.820  873.109   25.429   81.038   1.4160   80.602   1.1746 0.4361954 1.839757 
1 1 1   10    3  -34 o   65.503   0.8326  576.405   14.649  589.594   23.087  567.518   18.953   66.233   1.2978   64.989   1.0858 1.244194 1.692090 
1 1 1   10    3  -33 o   91.537   1.2362  1125.96   30.393  1139.23   37.670  1101.21   51.446   92.060   1.5235   90.471   2.1171 1.588730 2.608295 
1 1 1   10    3  -32 o   81.649   0.9482  895.573   20.794  894.784   25.561  897.117   35.756   81.607   1.1661   81.694   1.6295 -0.8790588E-01 2.003829 
1 1 1   10    3  -31 o  142.828   1.2029  2740.80   46.145  2706.15   64.750  2776.57   65.779  141.892   1.6990  143.726   1.7040 -1.834030 2.406243 
1 1 1   10    3  -30 o  151.531   1.3172  3085.02   53.610  3147.94   80.369  3034.58   71.960  153.027   1.9554  150.260   1.7830 2.768005 2.646232 
1 1 1   10    3  -29 o  132.959   1.1848  2374.82   42.310  2428.31   58.006  2314.01   61.848  134.430   1.6065  131.221   1.7548 3.209335 2.379126 
1 1 1   10    3  -28 o  149.211   1.3650  2991.03   54.704  3075.33   78.708  2912.25   76.086  151.271   1.9372  147.206   1.9243 4.064758 2.730536 
1 1 1   10    3  -27 o  196.318   1.6484  5178.29   86.920  5180.53  117.634  5175.59  128.998  196.322   2.2309  196.211   2.4477 0.1107635 3.311831 
1 1 1   10    3  -26 o  168.477   1.3763  3813.05   62.280  3732.61   86.877  3898.10   89.327  166.667   1.9407  170.321   1.9527 -3.654129 2.753045 
1 1 1   10    3  -25 o  363.876   3.0901 17805.08  302.007 17741.30  388.945 17901.92  479.263  363.064   3.9885  364.500   4.8954 -1.436493 6.314507 
1 1 1   10    3  -24 o   41.366   0.7918  229.822   8.7972  218.855   13.149  238.709   11.837   40.365   1.2128   42.157   1.0454 -1.792191 1.601128 
1 1 1   10    3  -23 o  307.758   2.6262 12730.18  217.081 12635.04  341.397 12794.75  281.265  306.419   4.1481  308.453   3.3950 -2.033875 5.360288 
1 1 1   10    3  -22 o  145.999   1.2699  2863.11   49.800  2832.68   66.901  2900.92   74.578  145.210   1.7153  146.944   1.8896 -1.733627 2.552022 
1 1 1   10    3  -21 o  130.185   1.1524  2276.38   40.294  2322.50   55.288  2224.12   58.848  131.489   1.5655  128.671   1.7028 2.818253 2.313059 
1 1 1   10    3  -20 o  258.006   2.1151  8943.78  146.575  9040.45  199.798  8831.12  215.689  259.347   2.8683  256.306   3.1331 3.040894 4.247750 
1 1 1   10    3  -19 o  194.454   1.7065  5079.53   89.130  5178.30  127.385  4984.79  124.753  196.307   2.4160  192.604   2.4115 3.702713 3.413553 
1 1 1   10    3  -18 o  211.781   1.8436  6025.38  104.870  6007.91  165.309  6037.15  135.664  211.420   2.9111  211.964   2.3829 -0.5434418 3.762029 
1 1 1   10    3  -17 o  110.467   1.1858  1639.02   35.185  1596.19   43.876  1716.17   58.892  109.010   1.4985  113.025   1.9400 -4.014633 2.451336 
1 1 1   10    3  -16 o  216.067   1.7915  6271.31  103.965  6264.86  140.692  6279.06  154.307  215.932   2.4258  216.166   2.6577 -0.2339478 3.598345 
1 1 1   10    3  -15 o  155.982   1.4043  3267.98   58.836  3301.33   83.633  3235.29   82.786  156.765   1.9863  155.189   1.9861 1.575974 2.808902 
1 1 1   10    3  -14 o  136.018   1.3213  2484.89   48.271  2485.22   72.546  2484.63   64.662  136.017   1.9858  136.005   1.7701 0.1264954E-01 2.660181 
1 1 1   10    3  -13 o   75.335   1.0977  762.224   22.212  731.874   31.083  793.896   31.752   73.817   1.5677   76.881   1.5377 -3.064392 2.195956 
1 1 1   10    3  -12 o  354.610   3.1726 16896.32  302.173 17009.33  455.194 16807.28  404.039  355.676   4.7649  353.600   4.2542 2.076355 6.387656 
1 1 1   10    3  -11 o  435.776   3.3626 25516.22  393.574 25647.67  558.652 25386.68  554.567  436.783   4.7619  434.556   4.7513 2.227020 6.726907 
1 1 1   10    3  -10 o  169.857   1.5906  3875.04   72.569  3848.16   96.968  3909.27  109.411  169.260   2.1330  170.595   2.3878 -1.334656 3.201755 
1 1 1   10    3   -9 o  136.846   1.1430  2515.07   42.012  2502.29   59.213  2528.02   59.615  136.495   1.6151  137.195   1.6178 -0.6999359 2.286047 
1 1 1   10    3   -8 o  277.773   2.1684 10363.62  161.776 10477.38  230.342 10252.89  227.260  279.271   3.0708  276.263   3.0627 3.007874 4.337083 
1 1 1   10    3   -7 f  945.732   7.2437 120313.00  1840.02 118496.30  2576.20 122204.90  2628.96  937.800   10.228  952.347   10.278 -14.54706 14.49956 
1 1 1   10    3   -6 o  376.556   2.9104 19047.19  294.354 18924.27  414.853 19171.82  417.721  375.293   4.1156  377.739   4.1172 -2.446564 5.821471 
1 1 1   10    3   -5 o  432.751   3.3345 25157.90  387.582 25514.12  553.257 24814.60  543.131  435.734   4.7273  429.721   4.7057 6.013519 6.670169 
1 1 1   10    3   -4 o  479.070   4.0367 30835.68  519.424 30789.18  820.422 30866.80  671.043  478.548   6.3829  479.240   5.2132 -0.6919556 8.241319 
1 1 1   10    3   -3 o  249.411   2.3976  8355.29  160.614  8296.05  261.028  8391.39  203.751  248.494   3.9109  249.938   3.0351 -1.444168 4.950487 
1 1 1   10    3   -2 o  468.531   3.9494 29492.94  497.004 29228.07  698.677 29764.27  707.138  466.327   5.5782  470.583   5.5947 -4.256897 7.900435 
1 1 1   10    3   -1 o  266.035   2.0806  9505.81  148.672  9686.21  212.787  9333.74  207.809  268.532   2.9502  263.601   2.9351 4.930725 4.161586 
1 1 1   10    3    0 o  351.882   2.7243 16631.81  257.483 16563.41  363.183 16700.94  365.095  351.123   3.8510  352.578   3.8553 -1.454590 5.449186 
1 1 1   10    3    1 o  201.662   1.7581  5461.94   95.226  5512.25  123.666  5388.65  149.255  202.583   2.2728  200.293   2.7744 2.290665 3.586472 
1 1 1   10    3    2 o  392.068   3.0262 20648.53  318.672 20717.89  451.592 20579.74  449.754  392.678   4.2817  391.366   4.2786 1.311279 6.053042 
1 1 1   10    3    3 o   87.418   1.4120  1026.34   33.153  1060.81   47.530  993.675   46.266   88.872   1.9912   86.014   2.0026 2.858398 2.824082 
1 1 1   10    3    4 o  285.297   2.4368 10932.67  186.727 10981.56  241.764 10860.38  293.967  285.918   3.1482  284.317   3.8495 1.601196 4.972884 
1 1 1   10    3    5 o  393.664   3.0397 20817.40  321.403 20543.51  450.620 21101.02  458.548  391.015   4.2907  396.284   4.3081 -5.269348 6.080266 
1 1 1   10    3    6 o  235.841   1.8568  7470.40  117.617  7494.08  166.638  7446.90  166.033  236.202   2.6266  235.457   2.6254 0.7447815 3.713728 
1 1 1   10    3    7 f  480.628   4.0499 31038.67  522.811 31170.05  828.746 30951.82  673.806  481.458   6.4087  479.873   5.2278 1.585144 8.270508 
1 1 1   10    3    8 o  422.514   3.5678 23984.52  404.885 24298.25  645.332 23780.86  519.956  425.132   5.6515  420.657   4.6020 4.474670 7.288236 
1 1 1   10    3    9 o  296.630   2.3101 11818.91  184.052 11820.25  260.341 11817.57  260.238  296.617   3.2678  296.584   3.2669 0.3363037E-01 4.620695 
1 1 1   10    3   10 o  323.403   2.7513 14050.31  238.990 14047.53  337.915 14053.10  338.052  323.321   3.8912  323.385   3.8920 -0.6405640E-01 5.503535 
1 1 1   10    3   11 o  269.408   2.2014  9749.42  159.294  9891.13  217.580  9585.72  233.850  271.333   2.9856  267.100   3.2596 4.232391 4.420275 
1 1 1   10    3   12 o   72.676   0.9115  709.355   17.793  735.071   22.815  669.430   28.428   73.981   1.1482   70.599   1.4992 3.382164 1.888355 
1 1 1   10    3   13 o   91.965   1.1102  1135.89   27.423  1162.41   42.115  1116.36   36.134   93.028   1.6855   91.168   1.4756 1.859482 2.240180 
1 1 1   10    3   14 o  147.784   1.4158  2933.44   56.196  2922.38   97.013  2939.03   68.941  147.486   2.4490  147.920   1.7352 -0.4345551 3.001434 
1 1 1   10    3   15 o  137.376   1.1522  2534.72   42.514  2516.48   65.430  2548.05   55.930  136.872   1.7798  137.732   1.5119 -0.8604279 2.335267 
1 1 1   10    3   16 o  207.561   1.6533  5787.00   92.168  5848.26  143.598  5744.08  120.193  208.623   2.5627  206.773   2.1642 1.850327 3.354255 
1 1 1   10    3   17 o  255.966   2.0997  8802.40  144.356  8760.88  213.291  8837.50  196.092  255.300   3.1105  256.432   2.8470 -1.132355 4.216735 
1 1 1   10    3   18 o  120.067   1.3648  1936.39   44.014  1884.70   66.215  1977.30   58.913  118.439   2.0815  121.320   1.8079 -2.880966 2.757029 
1 1 1   10    3   19 o  183.840   1.6243  4539.99   80.204  4561.60  127.076  4525.68  103.400  184.240   2.5680  183.533   2.0975 0.7066803 3.315739 
1 1 1   10    3   20 o  151.329   1.5354  3076.16   62.408  3074.27   88.261  3078.04   88.256  151.264   2.1724  151.357   2.1710 -0.9280396E-01 3.071224 
1 1 1   10    3   21 o  101.997   1.0648  1397.31   29.172  1420.56   44.218  1379.40   38.818  102.835   1.6009  101.337   1.4262 1.498131 2.144055 
1 1 1   10    3   22 o  128.408   1.2034  2214.69   41.503  2225.47   58.845  2204.02   58.545  128.709   1.7022  128.087   1.7017 0.6217041 2.406930 
1 1 1   10    3   23 o   87.375   0.9178  1025.36   21.539  1002.17   30.130  1049.59   30.802   86.377   1.2987   88.397   1.2973 -2.019798 1.835664 
1 1 1   10    3   24 o  106.035   1.0484  1510.17   29.858  1551.11   47.928  1484.20   38.170  107.452   1.6607  105.115   1.3520 2.336975 2.141405 
1 1 1   10    3   25 o  280.620   2.4062 10583.93  181.359 10508.88  285.421 10634.74  234.867  279.455   3.8026  281.217   3.1095 -1.761780 4.912101 
1 1 1   10    3   26 o  116.472   1.0685  1822.14   33.426  1806.58   49.262  1835.42   45.504  115.961   1.5816  116.887   1.4494 -0.9255371 2.145311 
1 1 1   10    3   27 o  108.391   0.9764  1578.03   28.427  1584.26   40.230  1571.82   40.172  108.595   1.3793  108.168   1.3827 0.4272690 1.953028 
1 1 1   10    3   28 o  125.498   1.0871  2115.60   36.645  2166.73   52.478  2066.94   51.193  126.991   1.5385  124.032   1.5367 2.958694 2.174522 
1 1 1   10    3   29 o  157.110   1.3021  3316.14   54.946  3299.31   77.478  3333.18   77.935  156.681   1.8411  157.483   1.8425 -0.8021698 2.604665 
1 1 1   10    3   30 o  116.135   1.0286  1811.80   32.084  1798.78   45.145  1825.08   45.606  115.702   1.4527  116.545   1.4569 -0.8426895 2.057425 
1 1 1   10    3   31 o   65.787   0.8919  581.360   15.759  585.993   21.236  575.682   23.510   66.042   1.1972   65.455   1.3372 0.5870590 1.794852 
1 1 1   10    3   32 o   52.360   0.8547  368.269   12.020  374.872   16.229  360.246   17.889   52.822   1.1439   51.778   1.2863 1.043770 1.721371 
1 1 1   10    3   33 o   12.414   1.6867   21.099   5.4780   27.744   6.9594   10.277   8.8819   14.242   1.8640   9.0687   3.0670 5.173546 3.589046 
1 1 1   10    3   34 o   24.571   0.9411   81.110   6.2105   89.164   8.5527   72.126   9.0331   25.758   1.2362   23.117   1.4624 2.640707 1.914876 
1 1 1   10    3   35 o  121.477   1.0690  1982.94   34.878  2030.89   49.964  1937.36   48.711  122.900   1.5136  120.037   1.5109 2.863045 2.138617 
1 1 1   10    3   36 f   59.280   0.8165  472.108   13.000  465.891   18.293  478.452   18.479   58.877   1.1568   59.665   1.1531 -0.7885284 1.633308 
1 1 1   10    3   37 o   41.841   0.8357  235.207   9.3916  234.577   12.716  235.963   13.930   41.777   1.1332   41.897   1.2379 -0.1200066 1.678285 
1 1 1   10    3   38 o   97.055   0.9254  1265.78   24.123  1291.97   34.391  1240.42   33.844   98.025   1.3062   96.049   1.3119 1.975739 1.851296 
1 1 1   10    3   39 o   16.909   1.3074   38.678   5.8916   46.970   8.4526   30.843   8.2163   18.602   1.7109   14.985   2.0990 3.617531 2.707941 
1 1 1   10    3   40 o  116.328   1.0426  1819.06   32.576  1827.50   46.183  1810.70   45.957  116.542   1.4754  116.005   1.4750 0.5370102 2.086209 
1 1 1   10    3   41 o   40.137   0.9086  216.524   9.7948  210.148   14.295  222.166   13.448   39.521   1.3467   40.642   1.2319 -1.120468 1.825139 
1 1 1   10    3   42 o   83.376   0.8620  934.376   19.304  937.943   27.330  930.824   27.271   83.499   1.2186   83.181   1.2206 0.3177414 1.724798 
1 1 1   10    3   43 o   8.5751   2.4694   10.173   5.9963   8.5179   8.6367   11.713   8.3316   8.5034   3.0165   9.3553   2.9597 -0.8518581 4.226009 
1 1 1   10    3   44 o   51.838   0.7878  361.199   10.968  348.882   15.356  374.027   15.672   50.922   1.1227   52.727   1.1066 -1.804527 1.576434 
1 1 1   10    3   45 o   82.560   0.8781  916.497   19.472  920.089   27.603  912.939   27.472   82.671   1.2431   82.349   1.2421 0.3216858 1.757300 
1 1 1   10    3   46 f   72.419   0.8881  705.244   17.275  717.305   24.767  693.818   24.107   72.986   1.2634   71.783   1.2503 1.202843 1.777512 
1 1 1   10    3   47 o   52.632   0.8586  372.508   12.138  361.641   18.143  381.312   16.331   51.813   1.3037   53.223   1.1424 -1.409412 1.733427 
1 1 1   10    3   48 f   51.181   0.9431  352.407   12.964  353.988   17.104  350.272   19.875   51.263   1.2422   50.965   1.4519 0.2980080 1.910802 
1 1 1   10    3   49 o   33.418   0.9853  150.291   8.8435  153.135   13.508  148.157   11.699   33.687   1.4929   33.153   1.3139 0.5340919 1.988741 
1 1 1   10    3   50 o   22.039   1.1780   65.632   6.9478   59.319   9.7364   72.182   9.9175   20.867   1.7534   23.056   1.6116 -2.188860 2.381531 
1 1 1   10    3   51 o   13.647   1.8846   25.707   6.7238   25.068   9.5118   26.346   9.5058   13.297   2.7540   13.652   2.6881 -0.3551617 3.848421 
1 1 1   10    3   52 o   23.240   1.3780   73.159   8.5632   60.965   13.533   81.302   11.059   21.001   2.4450   24.452   1.6943 -3.451117 2.974643 
1 1 1   10    3   53 f   38.170   1.1063  196.341   11.342  206.810   15.996  185.757   16.083   39.115   1.5226   37.055   1.6160 2.059486 2.220265 
1 1 1   10    3   54 o   18.747   1.5197   47.813   7.5859   52.479   10.918   43.457   10.548   19.534   2.1146   17.721   2.2681 1.812639 3.100960 
1 1 1   10    3   55 o   30.640   1.0693  126.512   8.7995  128.320   12.941  124.957   12.001   30.757   1.5718   30.404   1.4695 0.3528862 2.151737 
1 1 1   10    3   56 o   20.876   1.4094   59.176   7.8563   62.574   11.093   55.758   11.128   21.364   1.9550   20.126   2.0889 1.237194 2.861008 
1 1 1   10    3   57 o   20.876   1.4450   59.276   8.0524   53.960   11.434   64.507   11.342   19.748   2.1927   21.669   1.9703 -1.921328 2.947860 
1 1 1   10    3   58 o   32.662   1.3146  144.412   11.532  156.281   15.137  127.994   17.804   33.898   1.6626   30.463   2.1906 3.434523 2.750042 
1 1 1   10    3   59 o   40.519   1.2261  222.295   13.344  221.945   22.161  222.495   16.712   40.139   2.0626   40.442   1.5386 -0.3029747 2.573189 
1 1 1   10    3   60 o   16.420   2.1742   37.891   9.3528   39.379   12.965   36.277   13.506   16.417   3.0526   15.636   3.3185 0.7803097 4.509004 
1 1 1   10    3   61 f   19.107   2.1646   51.327   10.912   39.169   14.947   65.206   15.969   16.067   3.5575   21.229   2.8745 -5.162592 4.573716 
1 1 1   10    4  -61 o   12.170   3.9524   22.438   14.785   23.260   27.636   22.108   17.500   13.165   5.2301   12.225   4.2983 0.9406195 6.769772 
1 1 1   10    4  -60 o   11.602   3.4860   19.978   11.739   10.130   25.233   22.698   13.262   11.492   4.8278   12.300   3.7073 -0.8071957 6.087013 
1 1 1   10    4  -59 o   21.470   1.6157   63.194   9.2490   58.139   12.392   69.551   13.897   20.374   2.3051   22.285   2.3576 -1.910734 3.297213 
1 1 1   10    4  -58 o   25.198   1.2161   85.895   8.2305   92.418   11.774   79.662   11.510   25.995   1.6956   24.101   1.7909 1.894228 2.466221 
1 1 1   10    4  -57 o   16.626   1.8892   38.135   8.2865   45.044   12.900   33.281   10.812   17.837   2.7835   15.296   2.7320 2.541213 3.900222 
1 1 1   10    4  -56 o   28.782   1.1854  111.808   9.1637  110.820   12.015  113.182   14.169   28.559   1.5724   28.801   1.8413 -0.2423553 2.421313 
1 1 1   10    4  -55 o   15.325   2.0967   32.544   8.4040   17.323   11.965   47.365   11.807   11.188   3.5476   18.456   2.4417 -7.267912 4.306731 
1 1 1   10    4  -54 o   41.167   0.9408  228.190   10.403  226.079   14.542  230.403   14.887   40.925   1.3230   41.311   1.3417 -0.3865547 1.884267 
1 1 1   10    4  -53 o   48.371   0.8679  314.891   11.276  336.217   16.284  295.244   15.630   49.930   1.2143   46.784   1.2439 3.146023 1.738279 
1 1 1   10    4  -52 o   15.844   1.8744   34.505   7.8219   36.871   11.303   32.332   10.836   16.202   2.6917   15.131   2.7683 1.071645 3.861188 
1 1 1   10    4  -51 o   16.607   1.5192   37.577   6.7013   38.097   9.4792   37.057   9.4749   16.600   2.1787   16.361   2.2129 0.2390671 3.105426 
1 1 1   10    4  -50 o   44.455   0.8491  265.888   10.138  274.839   14.527  257.387   14.156   45.157   1.1977   43.698   1.2061 1.458366 1.699787 
1 1 1   10    4  -49 f   9.1163   2.4368   11.705   6.0812   17.152   8.8736   6.8801   8.3505   11.002   2.9446   7.9690   2.9464 3.033277 4.165619 
1 1 1   10    4  -48 o   40.684   0.9241  222.678   10.098  213.941   14.193  231.633   14.370   39.840   1.3264   41.459   1.2904 -1.618702 1.850535 
1 1 1   10    4  -47 o   42.841   0.7923  246.775   9.1165  253.737   13.711  241.259   12.205   43.410   1.1760   42.339   1.0733 1.071617 1.592120 
1 1 1   10    4  -46 o   56.882   0.9329  435.181   14.253  423.151   22.595  443.132   18.368   56.022   1.5016   57.371   1.1920 -1.349300 1.917257 
1 1 1   10    4  -45 o   62.200   0.8082  520.123   13.501  528.309   19.288  512.260   18.905   62.653   1.1462   61.695   1.1409 0.9583702 1.617200 
1 1 1   10    4  -44 o   48.497   0.8605  316.219   11.209  316.659   16.435  315.836   15.328   48.499   1.2616   48.443   1.1780 0.5541229E-01 1.726125 
1 1 1   10    4  -43 o   67.750   1.0126  617.311   18.427  617.709   25.497  616.877   26.660   67.726   1.4016   67.672   1.4668 0.5457306E-01 2.028801 
1 1 1   10    4  -42 o   32.297   0.8541  140.208   7.4088  143.987   10.469  136.417   10.486   32.715   1.1914   31.841   1.2261 0.8732109 1.709652 
1 1 1   10    4  -41 o   64.811   0.7888  564.501   13.731  583.080   19.586  546.543   19.256   65.847   1.1074   63.750   1.1246 2.097813 1.578339 
1 1 1   10    4  -40 o   60.355   0.7681  489.480   12.452  494.352   17.548  484.540   17.671   60.638   1.0774   60.032   1.0959 0.6058998 1.536864 
1 1 1   10    4  -39 o   69.545   0.9808  650.049   18.321  645.795   26.190  654.128   25.640   69.288   1.4073   69.736   1.3689 -0.4487076 1.963234 
1 1 1   10    4  -38 o   90.089   0.9269  1090.65   22.427  1115.08   30.574  1062.19   32.998   91.069   1.2500   88.871   1.3824 2.197495 1.863722 
1 1 1   10    4  -37 o   91.587   0.8890  1127.10   21.870  1135.88   31.048  1118.45   30.810   91.919   1.2576   91.211   1.2576 0.7078476 1.778516 
1 1 1   10    4  -36 o  160.161   1.4539  3449.37   62.545  3455.04   98.844  3445.58   80.772  160.137   2.2981  160.003   1.8795 0.1334839 2.968801 
1 1 1   10    4  -35 o  120.983   1.0643  1966.93   34.585  2024.24   49.655  1912.93   48.199  122.693   1.5068  119.273   1.5045 3.420631 2.129315 
1 1 1   10    4  -34 f   40.526   0.8912  220.653   9.7005  223.813   15.591  218.657   12.391   40.803   1.4226   40.337   1.1437 0.4653740 1.825338 
1 1 1   10    4  -33 o   49.386   0.8518  327.644   11.299  329.254   17.049  326.383   15.089   49.496   1.2824   49.284   1.1399 0.2123947 1.715798 
1 1 1   10    4  -32 o   17.614   1.1841   41.879   5.5697   40.468   7.1937   43.990   8.8006   17.280   1.5670   17.992   1.8473 -0.7124043 2.422402 
1 1 1   10    4  -31 o  157.091   1.4225  3316.35   60.022  3365.28   78.272  3246.51   93.516  158.210   1.8420  155.350   2.2412 2.859283 2.901005 
1 1 1   10    4  -30 o   50.579   0.8683  343.629   11.796  352.538   17.102  335.544   16.291   51.224   1.2430   49.975   1.2137 1.249363 1.737295 
1 1 1   10    4  -29 o   64.074   0.7786  551.434   13.400  560.839   18.181  540.247   19.828   64.614   1.0476   63.415   1.1641 1.199310 1.566073 
1 1 1   10    4  -28 f  217.428   1.8090  6353.33  105.642  6335.21  156.445  6368.52  143.230  217.025   2.6839  217.623   2.4504 -0.5980530 3.634215 
1 1 1   10    4  -27 o  111.939   1.0419  1683.12   31.326  1686.03   42.339  1679.60   46.565  112.026   1.4071  111.808   1.5506 0.2182541 2.093885 
1 1 1   10    4  -26 o  219.814   1.7471  6492.31  103.149  6424.98  144.918  6561.45  146.851  218.615   2.4680  220.924   2.4748 -2.308853 3.495127 
1 1 1   10    4  -25 o  160.778   1.3806  3472.51   59.620  3546.34   81.733  3388.56   87.159  162.459   1.8731  158.795   2.0435 3.663177 2.772116 
1 1 1   10    4  -24 o  133.389   1.2373  2389.99   44.329  2433.24   57.880  2328.63   68.943  134.581   1.6012  131.645   1.9498 2.935852 2.523032 
1 1 1   10    4  -23 o  177.498   1.4390  4232.18   68.605  4240.23   97.083  4224.16   96.961  177.643   2.0347  177.306   2.0360 0.3370667 2.878445 
1 1 1   10    4  -22 o  212.339   1.8501  6057.56  105.517  6031.91  166.179  6074.89  136.583  211.824   2.9208  212.613   2.3918 -0.7888489 3.775160 
1 1 1   10    4  -21 o  135.219   1.1871  2455.89   43.115  2525.26   59.161  2377.31   62.964  137.107   1.6065  133.026   1.7622 4.081055 2.384611 
1 1 1   10    4  -20 o  168.378   1.3704  3808.19   61.975  3831.53   81.313  3775.82   95.735  168.881   1.7926  167.637   2.1262 1.244202 2.781067 
1 1 1   10    4  -19 o  153.025   1.2608  3145.26   51.821  3099.58   67.150  3212.52   81.484  151.900   1.6459  154.634   1.9619 -2.733536 2.560843 
1 1 1   10    4  -18 o   40.969   0.6655  225.422   7.3233  226.656   9.0013  223.006   12.595   41.081   0.8158   40.747   1.1508 0.3333931 1.410630 
1 1 1   10    4  -17 o   89.715   0.8740  1081.01   21.062  1088.75   31.033  1074.40   28.677   90.032   1.2833   89.438   1.1938 0.5943069 1.752717 
1 1 1   10    4  -16 o  138.143   1.3332  2563.27   49.469  2639.71   67.660  2475.47   72.511  140.178   1.7970  135.743   1.9888 4.435394 2.680427 
1 1 1   10    4  -15 o  103.964   1.3183  1451.74   36.812  1408.31   51.007  1498.96   53.181  102.389   1.8547  105.632   1.8744 -3.243439 2.636961 
1 1 1   10    4  -14 o  166.089   1.4122  3705.22   63.000  3730.02   93.906  3684.93   84.956  166.628   2.0982  165.623   1.9098 1.005157 2.837209 
1 1 1   10    4  -13 o  236.245   2.0406  7497.49  129.483  7434.58  203.871  7540.02  167.634  235.199   3.2272  236.890   2.6347 -1.691483 4.166098 
1 1 1   10    4  -12 f  423.643   3.4137 24120.51  388.433 24671.26  584.716 23685.46  519.673  428.257   5.0833  419.676   4.6102 8.581512 6.862549 
1 1 1   10    4  -11 o  268.659   2.4272  9696.46  175.147  9334.60  229.330 10202.97  271.321  263.564   3.2395  275.527   3.6663 -11.96329 4.892480 
1 1 1   10    4  -10 f  248.012   1.9480  8262.12  129.765  8280.24  183.792  8244.11  183.240  248.259   2.7563  247.717   2.7541 0.5422668 3.896423 
1 1 1   10    4   -9 o  266.708   2.0867  9554.83  149.481  9542.13  211.181  9567.59  211.617  266.504   2.9503  266.859   2.9524 -0.3551941 4.173816 
1 1 1   10    4   -8 f  349.984   2.7100 16454.92  254.752 16501.62  360.901 16408.54  359.649  350.426   3.8344  349.436   3.8319 0.9894714 5.420939 
1 1 1   10    4   -7 o  314.384   2.4429 13276.59  206.279 13112.46  289.481 13445.91  294.016  312.398   3.4500  316.345   3.4603 -3.946747 4.886349 
1 1 1   10    4   -6 f  285.120   2.2237 10919.32  170.295 10812.38  239.279 11029.09  242.419  283.695   3.1402  286.523   3.1500 -2.828583 4.447894 
1 1 1   10    4   -5 o  272.963   2.1325 10007.77  156.349  9994.41  220.979 10021.17  221.242  272.759   3.0163  273.124   3.0159 -0.3649597 4.265422 
1 1 1   10    4   -4 o  243.084   1.9107  7936.48  124.747  7941.66  176.491  7931.30  176.348  243.149   2.7025  242.990   2.7020 0.1586304 3.821547 
1 1 1   10    4   -3 o  264.532   2.2672  9399.19  161.087  9285.89  252.682  9476.76  209.083  262.901   3.5784  265.607   2.9308 -2.705963 4.625432 
1 1 1   10    4   -2 o  277.791   2.6554 10365.54  198.127 10473.97  325.710 10301.86  249.621  279.189   4.3435  276.918   3.3561 2.270630 5.489057 
1 1 1   10    4   -1 o  408.376   3.6389 22405.66  399.133 23070.04  610.022 21908.34  527.785  414.280   5.4823  403.754   4.8669 10.52597 7.330860 
1 1 1   10    4    0 o  277.628   2.3742 10352.95  177.044 10293.67  227.739 10443.51  281.466  276.816   3.0630  278.804   3.7587 -1.987305 4.848701 
1 1 1   10    4    1 o  276.714   2.1603 10284.59  160.561 10234.19  226.359 10335.63  227.783  276.016   3.0533  277.380   3.0574 -1.364349 4.320939 
1 1 1   10    4    2 o  669.330   5.1315 60213.93  922.529 60857.33  1313.74 59588.04  1295.75  672.620   7.2719  665.572   7.2483 7.047791 10.26733 
1 1 1   10    4    3 o  317.717   2.5778 13559.23  219.976 13474.51  296.808 13662.47  327.663  316.695   3.4893  318.884   3.8256 -2.188782 5.177917 
1 1 1   10    4    4 o  112.085   1.0190  1687.22   30.677  1688.55   41.615  1685.64   45.399  112.128   1.3818  112.030   1.5088 0.9745789E-01 2.045914 
1 1 1   10    4    5 o  371.230   2.8703 18512.72  286.190 18511.06  404.760 18514.39  404.708  371.160   4.0602  371.194   4.0593 -0.3347778E-01 5.741315 
1 1 1   10    4    6 f  468.937   3.9534 29548.64  497.944 29622.10  788.405 29499.89  642.254  469.318   6.2545  468.461   5.1044 0.8576965 8.072965 
1 1 1   10    4    7 o  101.823   1.0517  1392.43   28.763  1419.09   43.446  1371.63   38.379  102.790   1.5737  101.058   1.4139 1.732414 2.115556 
1 1 1   10    4    8 f  274.091   2.6239 10092.03  193.169  9968.83  312.928 10167.88  245.534  272.346   4.2779  275.094   3.3231 -2.748230 5.416928 
1 1 1   10    4    9 o  268.904   2.1971  9713.04  158.687  9731.01  215.115  9691.59  235.040  269.127   2.9759  268.570   3.2583 0.5568237 4.412786 
1 1 1   10    4   10 f  187.706   1.5062  4732.26   75.934  4685.24  106.732  4780.45  108.055  186.760   2.1277  188.648   2.1326 -1.887833 3.012492 
1 1 1   10    4   11 o  237.601   1.8720  7583.11  119.468  7635.88  169.679  7531.23  168.236  238.402   2.6499  236.763   2.6455 1.639069 3.744427 
1 1 1   10    4   12 f   80.371   0.7877  867.510   17.003  887.357   24.207  848.181   23.889   81.283   1.1088   79.469   1.1192 1.814606 1.575457 
1 1 1   10    4   13 o  142.693   1.2392  2734.75   47.493  2780.82   64.986  2681.94   69.578  143.884   1.6816  141.299   1.8333 2.584076 2.487723 
1 1 1   10    4   14 o  416.206   3.2119 23282.81  359.059 23369.32  509.042 23197.15  506.539  416.806   4.5470  415.269   4.5414 1.537354 6.426506 
1 1 1   10    4   15 o  120.123   1.0350  1937.99   33.392  2004.84   48.030  1875.46   46.457  122.171   1.4637  118.163   1.4638 4.007942 2.070038 
1 1 1   10    4   16 o   46.286   0.7502  287.725   9.3261  297.610   12.580  275.663   13.896   47.073   0.9950   45.304   1.1420 1.769581 1.514660 
1 1 1   10    4   17 o  175.516   1.5555  4138.07   73.331  4117.62   94.470  4169.07  116.318  175.068   2.0091  176.141   2.4586 -1.072800 3.175108 
1 1 1   10    4   18 o  202.993   1.6213  5535.31   88.398  5498.23  136.225  5562.29  116.180  202.275   2.5074  203.468   2.1259 -1.193329 3.287330 
1 1 1   10    4   19 o   90.952   0.8587  1111.01   20.977  1102.30   32.252  1117.39   27.617   90.590   1.3255   91.210   1.1273 -0.6199722 1.740047 
1 1 1   10    4   20 o  216.939   1.8891  6322.73  110.076  6220.25  198.689  6368.11  132.222  215.078   3.4394  217.698   2.2613 -2.619766 4.116197 
1 1 1   10    4   21 o  154.703   1.5618  3214.99   64.895  3267.74   92.692  3164.28   90.886  155.945   2.2130  153.457   2.2050 2.488098 3.124025 
1 1 1   10    4   22 o   64.166   1.0285  553.000   17.726  542.707   31.114  557.946   21.568   63.557   1.8227   64.450   1.2459 -0.8929367 2.207789 
1 1 1   10    4   23 o   43.155   0.8505  250.133   9.8580  234.307   15.850  260.117   12.589   41.764   1.4130   44.007   1.0651 -2.242645 1.769435 
1 1 1   10    4   24 o  124.856   1.1801  2093.95   39.576  2046.89   50.467  2169.12   63.777  123.437   1.5222  127.059   1.8688 -3.621742 2.410314 
1 1 1   10    4   25 o  238.373   1.8837  7635.07  120.604  7665.98  170.945  7604.44  170.177  238.790   2.6653  237.830   2.6640 0.9601593 3.768421 
1 1 1   10    4   26 o  103.084   0.9423  1427.29   26.091  1427.85   36.904  1426.72   36.892  103.097   1.3327  103.056   1.3328 0.4072571E-01 1.884812 
1 1 1   10    4   27 o   90.370   0.8725  1096.92   21.178  1126.55   30.298  1068.61   29.614   91.576   1.2318   89.190   1.2362 2.386040 1.745143 
1 1 1   10    4   28 f   35.373   0.7645  168.055   7.2634  169.676   10.240  166.413   10.304   35.541   1.0727   35.197   1.0900 0.3435669 1.529307 
1 1 1   10    4   29 o  219.549   1.8266  6478.65  107.711  6463.19  145.582  6497.35  160.105  219.212   2.4726  219.756   2.7125 -0.5446777 3.670342 
1 1 1   10    4   30 o   62.967   0.8664  532.582   14.654  559.525   19.786  499.846   21.809   64.535   1.1415   60.993   1.3313 3.542789 1.753627 
1 1 1   10    4   31 o  136.120   1.2713  2489.67   46.481  2457.47   65.186  2522.97   66.295  135.201   1.7951  136.990   1.8018 -1.789459 2.543364 
1 1 1   10    4   32 o   74.962   0.8790  754.878   17.699  765.415   25.303  744.786   24.765   75.472   1.2482   74.448   1.2385 1.023628 1.758397 
1 1 1   10    4   33 o   51.026   0.8446  349.765   11.575  365.763   18.168  338.835   15.017   52.168   1.2966   50.216   1.1134 1.952133 1.709028 
1 1 1   10    4   34 f  281.559   2.3113 10675.24  174.791 10614.88  235.737 10748.94  260.498  280.446   3.1296  282.067   3.4384 -1.620911 4.649419 
1 1 1   10    4   35 o   66.917   0.9353  601.653   16.811  592.073   21.189  617.927   27.617   66.372   1.1886   67.788   1.5168 -1.416649 1.927042 
1 1 1   10    4   36 o   89.830   0.8815  1084.21   21.269  1076.99   29.888  1091.61   30.275   89.509   1.2432   90.114   1.2508 -0.6051025 1.763538 
1 1 1   10    4   37 o  112.853   1.0188  1711.55   30.880  1744.02   44.051  1680.17   43.301  113.879   1.4402  111.774   1.4423 2.104141 2.038240 
1 1 1   10    4   38 o   22.228   0.9487   66.395   5.6641   60.106   7.3595   75.534   8.8712   21.102   1.3049   23.657   1.4024 -2.555262 1.915563 
1 1 1   10    4   39 o   42.837   0.8035  246.564   9.2447  228.773   12.454  268.397   13.796   41.252   1.1240   44.681   1.1496 -3.428795 1.607827 
1 1 1   10    4   40 o  106.530   1.0731  1525.76   30.705  1562.47   43.898  1490.59   42.963  107.745   1.5169  105.237   1.5200 2.507790 2.147398 
1 1 1   10    4   41 o   47.595   0.9076  304.489   11.603  306.455   18.020  303.097   15.165   47.718   1.4060   47.470   1.1894 0.2474213 1.841611 
1 1 1   10    4   42 o   28.263   1.0185  107.419   7.7318  104.714   10.993  110.067   10.876   27.847   1.4751   28.592   1.4163 -0.7456455 2.044928 
1 1 1   10    4   43 o   18.507   1.2427   46.304   6.1413   50.126   8.8121   42.695   8.5636   19.202   1.7270   17.696   1.8281 1.506929 2.514876 
1 1 1   10    4   44 o   49.061   0.8648  323.620   11.396  337.800   14.747  302.598   17.955   50.107   1.0958   47.395   1.4105 2.711449 1.786114 
1 1 1   10    4   45 o  104.178   1.0253  1460.06   28.690  1460.11   39.119  1459.99   42.204  104.103   1.3990  104.071   1.5099 0.3211975E-01 2.058402 
1 1 1   10    4   46 o   68.148   0.8749  624.533   16.015  642.581   23.974  609.991   21.520   69.071   1.2923   67.312   1.1903 1.759384 1.756948 
1 1 1   10    4   47 o   33.864   0.8624  154.222   7.8437  150.679   12.058  156.820   10.327   33.439   1.3425   34.131   1.1266 -0.6918678 1.752564 
1 1 1   10    4   48 o   23.557   1.1665   74.736   7.3809   71.196   10.945   77.688   9.9960   22.879   1.7955   23.941   1.5631 -1.061405 2.380535 
1 1 1   10    4   49 f   41.696   0.9553  233.968   10.698  229.662   14.039  239.930   16.521   41.278   1.2663   42.165   1.4588 -0.8873672 1.931724 
1 1 1   10    4   50 o   17.533   1.5880   41.883   7.3974   34.530   11.218   47.540   9.8401   15.664   2.7674   18.617   1.9992 -2.952713 3.414010 
1 1 1   10    4   51 o   25.665   1.4137   89.207   9.7081   96.734   15.582   84.430   12.412   26.577   2.2027   24.888   1.8704 1.689098 2.889663 
1 1 1   10    4   52 o   21.441   1.4688   62.401   8.4081   58.659   10.860   68.001   13.285   20.695   1.9779   22.234   2.2558 -1.539787 3.000104 
1 1 1   10    4   53 o   33.985   1.0917  155.637   9.9648  159.924   14.198  151.475   13.989   34.392   1.5370   33.469   1.5561 0.9236794 2.187242 
1 1 1   10    4   54 o   52.141   0.9019  365.987   12.630  357.141   18.331  373.981   17.427   51.436   1.3269   52.653   1.2323 -1.217331 1.810850 
1 1 1   10    4   55 o   37.541   0.9526  189.808   9.6056  180.615   13.379  199.588   13.799   36.566   1.3623   38.443   1.3364 -1.876835 1.908367 
1 1 1   10    4   56 o   10.017   2.6456   14.304   7.2239   6.7983   10.162   21.971   10.271   8.3592   3.2147   12.346   3.1015 -3.986635 4.466935 
1 1 1   10    4   57 o   16.601   1.7339   37.865   7.6170   28.197   10.835   47.313   10.711   13.989   2.9752   18.461   2.2036 -4.472537 3.702372 
1 1 1   10    4   58 o   34.992   1.1606  165.537   10.908  146.188   15.312  185.477   15.543   32.701   1.7496   36.939   1.5667 -4.237827 2.348539 
1 1 1   10    4   59 o   18.846   2.0629   49.424   10.272   41.236   13.264   61.691   16.236   16.851   3.0425   20.710   3.0066 -3.859596 4.277390 
1 1 1   10    4   60 o   20.140   2.1379   56.751   11.388   57.910   15.636   55.442   16.618   19.973   3.0081   19.387   3.3102 0.5855503 4.472774 
1 1 1   10    4   61 o   10.887   3.1144   17.649   9.5665   24.727   13.963   11.387   13.133   12.689   3.7995   9.6818   3.6708 3.006800 5.283109 
1 1 1   10    5  -61 o   11.861   4.2182   20.720   16.899   12.390   24.309   28.510   23.507   11.398   4.7599   13.543   4.9539 -2.144751 6.870067 
1 1 1   10    5  -60 o   16.522   2.9340   39.935   12.543   18.470   17.812   61.049   17.666   11.647   4.3039   20.285   3.3600 -8.638196 5.460128 
1 1 1   10    5  -59 o   33.993   1.1657  156.522   10.643  148.109   14.079  167.739   16.258   32.946   1.5911   35.011   1.7289 -2.065334 2.349599 
1 1 1   10    5  -58 o   25.428   1.4141   88.029   9.6197   89.825   13.737   86.300   13.476   25.508   2.0215   24.999   2.0244 0.5095692 2.860880 
1 1 1   10    5  -57 o   9.1108   3.0584   11.064   8.8312   10.690   12.184   11.477   12.818   9.5901   3.5565   9.8699   3.6503 -0.2798185 5.096359 
1 1 1   10    5  -56 o   22.891   1.2838   71.032   7.8612   74.192   10.986   67.715   11.254   23.300   1.7686   22.223   1.9038 1.077456 2.598527 
1 1 1   10    5  -55 f   39.592   1.0031  211.222   10.667  200.128   13.922  226.995   16.600   38.486   1.3468   40.957   1.5091 -2.470417 2.022671 
1 1 1   10    5  -54 o   30.359   1.0427  124.187   8.5023  110.035   12.135  137.833   11.917   28.470   1.5933   31.942   1.3890 -3.472090 2.113712 
1 1 1   10    5  -53 o   67.119   0.8685  606.327   15.658  601.603   22.091  611.096   22.195   66.782   1.2316   67.308   1.2277 -0.5257950 1.739018 
1 1 1   10    5  -52 o   70.631   0.8673  671.432   16.454  684.628   23.428  658.586   23.114   71.245   1.2243   69.875   1.2316 1.369972 1.736552 
1 1 1   10    5  -51 o   40.925   1.0008  225.554   11.001  208.594   15.467  242.915   15.649   39.293   1.4656   42.418   1.3736 -3.124882 2.008651 
1 1 1   10    5  -50 o   22.330   1.1908   67.409   7.1164   61.439   10.013   73.500   10.116   21.228   1.7724   23.257   1.6297 -2.028139 2.407762 
1 1 1   10    5  -49 o   28.755   1.0682  111.352   8.2504  111.168   12.182  111.508   11.214   28.639   1.5899   28.704   1.4593 -0.6458664E-01 2.158111 
1 1 1   10    5  -48 o   33.406   0.9336  150.159   8.3768  150.963   11.423  149.224   12.322   33.468   1.2707   33.264   1.3791 0.2038040 1.875269 
1 1 1   10    5  -47 o   44.734   0.8239  269.116   9.8989  275.442   14.092  262.954   13.908   45.227   1.1601   44.189   1.1718 1.038387 1.648920 
1 1 1   10    5  -46 o   12.281   2.0876   20.973   6.6395   12.837   10.106   27.150   8.8065   9.8983   3.2704   13.945   2.4402 -4.046344 4.080397 
1 1 1   10    5  -45 o   32.381   1.0709  141.096   9.3139  135.719   13.532  145.936   12.839   31.681   1.5954   32.905   1.4527 -1.224215 2.157709 
1 1 1   10    5  -44 o   53.595   0.9463  386.321   13.623  396.987   20.831  378.352   18.007   54.280   1.4288   53.009   1.2647 1.270275 1.908176 
1 1 1   10    5  -43 o   43.378   0.8570  252.972   9.9848  243.594   13.135  265.810   15.368   42.547   1.1494   44.434   1.2877 -1.886631 1.726029 
1 1 1   10    5  -42 o   13.419   1.8612   24.756   6.5279   23.834   8.8697   25.846   9.6423   13.032   2.6247   13.565   2.7408 -0.5326395 3.794828 
1 1 1   10    5  -41 o   62.609   0.7786  526.806   13.093  536.373   18.501  517.209   18.530   63.152   1.0907   62.012   1.1125 1.140247 1.558016 
1 1 1   10    5  -40 o   41.280   0.7680  228.992   8.5155  243.144   12.065  214.945   12.021   42.525   1.0563   39.980   1.1194 2.544884 1.539117 
1 1 1   10    5  -39 o   55.065   0.7865  407.430   11.632  412.461   15.850  401.555   17.126   55.390   1.0654   54.648   1.1668 0.7428474 1.579984 
1 1 1   10    5  -38 o   84.834   0.9490  967.209   21.624  951.718   30.127  983.671   31.055   84.122   1.3334   85.521   1.3520 -1.398788 1.898871 
1 1 1   10    5  -37 o   96.139   0.9144  1242.01   23.613  1215.42   33.017  1269.85   33.784   95.076   1.2929   97.181   1.2943 -2.105438 1.829446 
1 1 1   10    5  -36 o   42.122   0.7462  238.367   8.4427  234.667   11.919  242.093   11.961   41.786   1.0619   42.443   1.0492 -0.6564140 1.492859 
1 1 1   10    5  -35 o   22.559   0.9737   68.384   5.8997   68.203   8.9778   68.522   7.8269   22.471   1.4961   22.539   1.2984 -0.6858635E-01 1.980895 
1 1 1   10    5  -34 f   79.802   0.9495  855.675   20.351  862.015   35.130  852.473   24.967   80.058   1.6337   79.643   1.1672 0.4154739 2.007833 
1 1 1   10    5  -33 o   60.442   0.8258  490.777   13.406  500.433   19.090  481.383   18.830   61.023   1.1647   59.850   1.1714 1.172997 1.651872 
1 1 1   10    5  -32 o   86.200   1.0622  998.367   24.593  1012.94   34.835  983.889   34.725   86.806   1.4941   85.551   1.5112 1.254677 2.125104 
1 1 1   10    5  -31 o   63.300   0.8530  538.263   14.502  533.853   17.985  546.458   24.519   63.036   1.0623   63.764   1.4316 -0.7287102 1.782702 
1 1 1   10    5  -30 o  159.296   1.4391  3410.11   61.574  3402.15   79.508  3422.03   97.325  159.074   1.8609  159.494   2.2719 -0.4199677 2.936733 
1 1 1   10    5  -29 o   39.357   0.8629  208.068   9.1216  216.102   13.222  200.772   12.600   40.106   1.2274   38.657   1.2136 1.448460 1.726062 
1 1 1   10    5  -28 o   95.134   1.0994  1215.80   28.093  1217.69   39.948  1213.95   39.515   95.194   1.5624   95.048   1.5478 0.1460037 2.199295 
1 1 1   10    5  -27 o  141.737   1.2462  2698.82   47.441  2676.27   63.766  2726.78   70.998  141.124   1.6823  142.440   1.8558 -1.316162 2.504774 
1 1 1   10    5  -26 o  155.300   1.3432  3240.09   56.027  3171.73   74.760  3327.67   84.620  153.632   1.8117  157.352   2.0022 -3.720261 2.700229 
1 1 1   10    5  -25 o   73.694   0.8139  729.412   16.110  731.829   21.842  726.528   23.858   73.812   1.1017   73.543   1.2078 0.2693481 1.634800 
1 1 1   10    5  -24 o  151.726   1.2557  3092.36   51.175  3102.63   67.064  3078.04   79.178  151.965   1.6431  151.349   1.9478 0.6161804 2.548227 
1 1 1   10    5  -23 o  228.022   1.9771  6986.40  121.089  6953.37  144.274  7065.11  222.725  227.456   2.3616  229.155   3.6186 -1.699600 4.321061 
1 1 1   10    5  -22 o  183.587   1.4821  4527.62   73.081  4486.04   95.024  4587.82  114.341  182.724   1.9362  184.766   2.3040 -2.042618 3.009542 
1 1 1   10    5  -21 f   71.457   0.9905  685.816   19.010  697.167   29.289  677.553   24.989   72.041   1.5137   71.022   1.3100 1.018173 2.001805 
1 1 1   10    5  -20 o   36.738   0.7705  181.270   7.6033  172.621   9.7700  194.553   12.108   35.850   1.0146   38.059   1.1845 -2.208534 1.559621 
1 1 1   10    5  -19 o  156.228   1.2846  3278.36   53.904  3208.87   75.250  3351.60   77.255  154.549   1.8128  157.949   1.8210 -3.399323 2.569503 
1 1 1   10    5  -18 f  134.341   1.1314  2424.05   40.825  2380.28   57.103  2469.80   58.388  133.114   1.5971  135.594   1.6032 -2.479797 2.262990 
1 1 1   10    5  -17 o   76.420   0.8035  784.344   16.493  818.244   22.709  746.507   23.992   78.052   1.0832   74.551   1.1982 3.500984 1.615240 
1 1 1   10    5  -16 o   81.359   0.8671  889.005   18.949  868.261   29.377  903.786   24.797   80.400   1.3604   82.030   1.1255 -1.630676 1.765593 
1 1 1   10    5  -15 o  186.070   1.8294  4651.12   91.429  4886.91  133.204  4441.08  125.722  190.696   2.6007  181.791   2.5748 8.905304 3.659659 
1 1 1   10    5  -14 o  332.405   2.5802 14847.95  230.365 14824.36  325.411 14871.65  326.160  332.039   3.6488  332.568   3.6514 -0.5289001 5.162020 
1 1 1   10    5  -13 o  217.893   1.7269  6377.64  101.068  6346.70  142.456  6409.00  143.412  217.336   2.4404  218.400   2.4448 -1.063782 3.454335 
1 1 1   10    5  -12 o   66.068   0.7707  586.230   13.677  600.709   19.464  572.107   19.223   66.878   1.0836   65.266   1.0966 1.611618 1.541625 
1 1 1   10    5  -11 o   92.516   0.8943  1149.54   22.222  1118.60   29.600  1189.52   33.641   91.261   1.2076   94.108   1.3309 -2.847366 1.797104 
1 1 1   10    5  -10 o  168.110   1.4245  3795.83   64.322  3800.50   87.218  3790.25   95.242  168.204   1.9305  167.973   2.1110 0.2309570 2.860676 
1 1 1   10    5   -9 o  107.556   0.9911  1553.66   28.632  1543.03   42.236  1562.71   38.948  107.183   1.4671  107.866   1.3443 -0.6825790 1.989880 
1 1 1   10    5   -8 o  197.149   1.5739  5220.50   83.343  5288.26  118.838  5154.91  116.916  198.411   2.2300  195.893   2.2221 2.517303 3.148078 
1 1 1   10    5   -7 o  327.547   2.5420 14412.89  223.639 14394.19  316.038 14431.66  316.509  327.280   3.5952  327.706   3.5959 -0.4255981 5.084918 
1 1 1   10    5   -6 o  343.807   2.6637 15879.53  245.972 15878.48  347.841 15880.57  347.872  343.737   3.7676  343.760   3.7677 -0.2264404E-01 5.328223 
1 1 1   10    5   -5 o  279.805   2.1840 10516.35  164.134 10600.70  233.311 10433.71  230.948  280.894   3.0924  278.673   3.0855 2.220917 4.368464 
1 1 1   10    5   -4 o  296.126   2.4094 11779.41  191.638 11883.87  260.790 11656.79  282.549  297.406   3.2647  294.537   3.5716 2.868378 4.838889 
1 1 1   10    5   -3 o  280.564   2.2880 10573.53  172.414 10512.17  232.705 10648.21  256.720  279.724   3.0973  281.517   3.3952 -1.793060 4.595712 
1 1 1   10    5   -2 o  370.981   3.5138 18491.84  350.118 18599.39  496.977 18385.86  493.326  371.965   4.9744  369.824   4.9665 2.140717 7.029260 
1 1 1   10    5   -1 o  242.780   2.4993  7917.62  162.979  7973.69  250.106  7876.24  214.861  243.598   3.8226  242.122   3.3039 1.475525 5.052546 
1 1 1   10    5    0 o  258.702   2.3414  8989.90  162.689  9301.65  249.515  8759.35  214.574  263.113   3.5307  255.342   3.1287 7.771652 4.717479 
1 1 1   10    5    1 o  292.724   2.2801 11509.82  179.265 11564.94  254.303 11455.36  252.743  293.394   3.2271  292.001   3.2226 1.393127 4.560587 
1 1 1   10    5    2 o  364.922   2.8232 17889.62  276.711 17926.20  391.887 17853.26  390.772  365.236   3.9948  364.492   3.9916 0.7436218 5.647213 
1 1 1   10    5    3 o  148.852   1.2277  2975.74   49.084  2942.57   68.991  3009.75   69.846  148.015   1.7354  149.695   1.7372 -1.680054 2.455467 
1 1 1   10    5    4 o  186.584   1.4970  4675.74   75.020  4672.66  106.068  4678.83  106.121  186.513   2.1173  186.636   2.1170 -0.1230621 2.994081 
1 1 1   10    5    5 o  218.467   1.9978  6410.77  117.227  6434.26  176.221  6392.12  157.006  218.842   2.9980  218.133   2.6798 0.7089081 4.021132 
1 1 1   10    5    6 o  163.831   1.5418  3604.98   67.845  3624.98  118.043  3595.11   82.906  164.266   2.6755  163.602   1.8867 0.6639099 3.273810 
1 1 1   10    5    7 o  419.860   3.3827 23687.78  381.467 23701.54  516.971 23671.32  565.202  419.880   4.5840  419.568   5.0154 0.3120422 6.794714 
1 1 1   10    5    8 o   87.439   0.9033  1026.82   21.215  999.930   29.615  1055.16   30.404   86.285   1.2779   88.636   1.2771 -2.350739 1.806661 
1 1 1   10    5    9 o  441.921   3.4050 26245.42  404.165 26274.38  571.944 26216.54  571.208  442.010   4.8176  441.524   4.8167 0.4866943 6.812458 
1 1 1   10    5   10 o  276.419   2.1604 10264.34  160.399 10340.76  227.770 10189.15  225.919  277.404   3.0570  275.363   3.0546 2.040924 4.321545 
1 1 1   10    5   11 o  218.781   1.7336  6429.48  101.870  6467.41  144.571  6392.08  143.566  219.402   2.4533  218.120   2.4506 1.281479 3.467544 
1 1 1   10    5   12 o  151.383   1.2477  3078.02   50.733  3094.76   71.907  3061.44   71.588  151.785   1.7638  150.966   1.7655 0.8193665 2.495610 
1 1 1   10    5   13 o  127.379   1.1834  2179.26   40.486  2188.75   57.328  2169.83   57.185  127.648   1.6721  127.095   1.6752 0.5531464 2.366878 
1 1 1   10    5   14 o  248.666   1.9546  8307.07  130.549  8333.39  184.935  8280.93  184.315  249.015   2.7650  248.230   2.7645 0.7851257 3.909959 
1 1 1   10    5   15 o  222.007   1.7585  6621.07  104.855  6638.71  148.490  6603.53  148.086  222.269   2.4873  221.679   2.4871 0.5896606 3.517439 
1 1 1   10    5   16 o  121.676   1.2764  1988.58   41.716  2027.02   59.583  1951.62   58.424  122.836   1.8059  120.530   1.8047 2.306419 2.553108 
1 1 1   10    5   17 o  188.910   1.5182  4793.76   77.031  4818.10  109.207  4769.66  108.672  189.366   2.1471  188.412   2.1474 0.9543304 3.036703 
1 1 1   10    5   18 f  100.337   0.9990  1352.16   26.924  1345.24   37.961  1359.17   38.192  100.074   1.4123  100.591   1.4136 -0.5168304 1.998188 
1 1 1   10    5   19 o  203.538   1.6979  5565.36   92.822  5449.33  135.879  5666.87  127.099  201.368   2.5123  205.359   2.3043 -3.991379 3.409017 
1 1 1   10    5   20 o  101.839   1.0131  1392.98   27.711  1455.91   44.682  1353.64   35.326  104.105   1.5980  100.387   1.3102 3.718117 2.066405 
1 1 1   10    5   21 f  359.745   3.6538 17408.22  353.047 17796.79  669.571 17258.59  415.498  362.995   6.8676  358.080   4.3201 4.914429 8.113405 
1 1 1   10    5   22 o  355.414   3.3778 16989.20  322.450 17073.52  646.542 16961.29  372.018  355.503   6.7711  355.034   3.9012 0.4684448 7.814606 
1 1 1   10    5   23 o  239.290   2.0727  7694.40  133.215  7813.75  245.461  7644.57  158.605  240.969   3.7925  238.484   2.4761 2.485214 4.529274 
1 1 1   10    5   24 o  103.958   1.0911  1451.63   30.465  1407.28   45.273  1488.33   41.184  102.346   1.6470  105.256   1.4568 -2.910667 2.198785 
1 1 1   10    5   25 o   97.247   0.9081  1270.20   23.718  1252.62   33.279  1288.34   33.814   96.565   1.2831   97.932   1.2855 -1.367218 1.816274 
1 1 1   10    5   26 o  313.086   2.4406 13179.06  205.235 13196.69  290.497 13161.49  289.996  313.117   3.4542  312.699   3.4528 0.4176025 4.883976 
1 1 1   10    5   27 o  147.489   1.2886  2922.37   51.047  2968.14   69.652  2869.25   75.030  148.617   1.7449  146.111   1.9119 2.506332 2.588422 
1 1 1   10    5   28 o  181.333   1.6122  4418.65   78.521  4393.39  100.991  4457.27  124.858  180.775   2.0799  182.036   2.5537 -1.260651 3.293545 
1 1 1   10    5   29 o   81.407   0.8301  890.158   18.149  898.669   25.656  881.633   25.678   81.787   1.1679   81.008   1.1802 0.7792740 1.660376 
1 1 1   10    5   30 o  157.305   1.4286  3325.35   60.360  3320.71   85.247  3330.01   85.478  157.143   2.0197  157.363   2.0224 -0.2197266 2.858192 
1 1 1   10    5   31 o  112.443   1.0067  1698.63   30.403  1689.53   42.820  1707.88   43.177  112.120   1.4219  112.728   1.4260 -0.6071243 2.013781 
1 1 1   10    5   32 o  166.094   1.3678  3707.86   61.020  3691.86   86.025  3724.06   86.568  165.667   1.9333  166.388   1.9371 -0.7203369 2.736743 
1 1 1   10    5   33 o   77.504   1.0131  807.098   21.090  829.351   35.505  794.966   26.216   78.530   1.6833   76.908   1.2691 1.621872 2.108143 
1 1 1   10    5   34 f   85.630   0.9283  985.204   21.351  967.718   29.897  1003.41   30.503   84.847   1.3119   86.397   1.3145 -1.550217 1.857112 
1 1 1   10    5   35 o  107.510   1.0301  1553.24   29.746  1534.40   39.896  1576.82   44.636  106.828   1.3905  108.280   1.5348 -1.452675 2.070969 
1 1 1   10    5   36 o  102.249   1.0435  1405.05   28.658  1416.60   37.053  1387.85   45.212  102.644   1.3440  101.566   1.6573 1.078445 2.133788 
1 1 1   10    5   37 o   56.838   0.7604  434.038   11.608  428.957   16.305  439.259   16.530   56.493   1.0746   57.167   1.0765 -0.6742363 1.521047 
1 1 1   10    5   38 o  108.360   1.0806  1578.39   31.449  1571.05   44.195  1585.92   44.762  108.058   1.5227  108.566   1.5351 -0.5085449 2.162207 
1 1 1   10    5   39 o   51.265   0.7202  353.103   9.9165  338.659   13.237  371.579   14.971   50.195   0.9818   52.574   1.0602 -2.379169 1.444973 
1 1 1   10    5   40 o   96.437   0.9281  1250.10   24.040  1236.50   33.758  1264.09   34.242   95.868   1.3110   96.931   1.3153 -1.063423 1.857074 
1 1 1   10    5   41 o   55.319   0.8093  411.296   12.024  421.317   16.454  399.810   17.616   55.970   1.0945   54.515   1.2031 1.455463 1.626444 
1 1 1   10    5   42 o   63.461   0.8857  541.433   15.096  544.425   21.267  538.395   21.433   63.603   1.2449   63.248   1.2617 0.3550377 1.772437 
1 1 1   10    5   43 o   18.600   1.2445   46.776   6.1816   46.925   8.2946   46.590   9.2709   18.578   1.6805   18.481   1.8945 0.9756851E-01 2.532401 
1 1 1   10    5   44 o   60.169   0.7970  486.703   12.880  488.124   18.137  485.257   18.295   60.227   1.1212   60.048   1.1343 0.1785431 1.594927 
1 1 1   10    5   45 o   38.033   0.9852  194.588   10.065  209.005   12.900  172.162   16.089   39.399   1.2190   35.718   1.6771 3.681694 2.073317 
1 1 1   10    5   46 o   54.448   0.8013  398.600   11.718  403.504   16.565  393.687   16.579   54.750   1.1264   54.078   1.1414 0.6717682 1.603639 
1 1 1   10    5   47 o   21.708   1.1624   63.638   6.7528   65.791   9.4137   61.357   9.6923   22.019   1.6027   21.244   1.7132 0.7750015 2.345976 
1 1 1   10    5   48 o   31.347   0.8772  132.186   7.3860  131.401   11.058  132.819   9.9244   31.220   1.3187   31.400   1.1767 -0.1802521 1.767390 
1 1 1   10    5   49 o   29.064   1.0344  113.736   8.0750  107.489   12.575  118.119   10.534   28.146   1.6709   29.593   1.3252 -1.446991 2.132651 
1 1 1   10    5   50 o   47.051   1.1950  298.437   15.102  306.395   20.556  289.103   22.262   47.601   1.6077   46.200   1.7940 1.401421 2.409026 
1 1 1   10    5   51 o   62.721   0.9060  529.531   15.262  549.684   23.051  513.802   20.365   63.815   1.3449   61.723   1.2284 2.092175 1.821443 
1 1 1   10    5   52 o   73.452   0.8821  726.192   17.402  710.587   24.430  742.266   24.795   72.576   1.2533   74.178   1.2445 -1.602486 1.766187 
1 1 1   10    5   53 o   54.187   1.1137  395.756   16.208  395.596   20.068  396.055   27.490   54.124   1.3804   54.023   1.8945 0.1009674 2.344114 
1 1 1   10    5   54 o   54.551   0.8968  400.627   13.139  411.339   19.358  391.477   17.891   55.200   1.3057   53.865   1.2366 1.334740 1.798365 
1 1 1   10    5   55 f   9.8796   2.6484   13.878   7.1712   8.4453   10.401   18.800   9.9005   8.7955   3.2811   11.457   3.1290 -2.661683 4.533926 
1 1 1   10    5   56 o   23.707   1.2901   76.181   8.1840   70.821   11.449   81.781   11.703   22.733   1.8922   24.464   1.7936 -1.730289 2.607207 
1 1 1   10    5   57 o   22.503   1.5169   69.018   9.1149   68.744   13.239   69.265   12.568   22.267   2.2442   22.391   2.1149 -0.1239929 3.083710 
1 1 1   10    5   58 o   17.397   1.9779   41.998   9.0779   47.196   13.054   37.131   12.632   18.198   2.7570   15.999   3.0511 2.199524 4.112232 
1 1 1   10    5   59 o   37.937   1.2571  195.224   12.810  198.426   16.445  190.283   20.428   38.128   1.6058   37.094   2.0585 1.034359 2.610751 
1 1 1   10    5   60 o   14.045   2.7364   28.776   9.9514   25.934   14.475   31.324   13.704   13.018   3.8617   14.345   3.5707 -1.326638 5.259560 
1 1 1   10    5   61 o   14.844   2.7973   32.421   10.743   30.522   14.900   34.478   15.504   13.958   3.8496   14.826   3.8568 -0.8681498 5.449287 
1 1 1   10    6  -60 o   24.915   2.0542   86.716   13.624   75.207   19.094   98.652   19.446   22.558   3.2448   26.163   2.8113 -3.604855 4.293304 
1 1 1   10    6  -59 o   40.825   1.8139  228.919   19.890  218.200   32.785  235.162   25.021   38.882   3.1668   41.060   2.2777 -2.178101 3.900880 
1 1 1   10    6  -58 f   40.326   1.1910  220.220   12.900  206.954   18.736  232.176   17.787   38.889   1.7937   41.267   1.6047 -2.378418 2.406805 
1 1 1   10    6  -57 o   48.086   1.1539  312.586   14.903  311.566   18.684  314.370   24.709   47.915   1.4518   47.944   1.9188 -0.2916718E-01 2.406113 
1 1 1   10    6  -56 o   14.572   1.9734   29.482   7.5251   34.030   10.697   25.025   10.588   15.489   2.6675   13.147   3.0565 2.341566 4.056794 
1 1 1   10    6  -55 o   29.968   1.1491  121.186   9.2496  110.351   12.384  134.857   13.911   28.485   1.6254   31.492   1.6503 -3.007721 2.316343 
1 1 1   10    6  -54 o   26.527   1.2300   94.961   8.7636   88.737   13.317   99.716   11.639   25.474   1.9613   27.090   1.6068 -1.615149 2.535502 
1 1 1   10    6  -53 o   34.905   0.9794  164.100   9.1820  170.753   13.398  158.210   12.608   35.552   1.4031   34.226   1.3716 1.326149 1.962127 
1 1 1   10    6  -52 o   30.344   1.0164  124.036   8.2839  119.919   11.754  128.099   11.676   29.787   1.4692   30.794   1.4117 -1.006674 2.037522 
1 1 1   10    6  -51 o   9.1938   2.5164   11.929   6.3952   8.4863   8.7416   15.894   9.3806   8.4588   3.0311   10.621   3.0974 -2.162532 4.333723 
1 1 1   10    6  -50 o   16.608   1.5603   37.615   6.8784   44.819   10.936   32.900   8.8476   17.993   2.3168   15.399   2.2019 2.593726 3.196190 
1 1 1   10    6  -49 o   9.8308   2.4235   13.694   6.3584   14.720   9.0474   12.692   8.9378   10.269   3.0547   9.6674   3.0663 0.6018219 4.328155 
1 1 1   10    6  -48 o   53.529   0.9104  385.555   13.088  379.082   16.774  395.631   20.927   53.042   1.1774   54.144   1.4390 -1.101616 1.859305 
1 1 1   10    6  -47 o   44.981   0.8827  272.178   10.665  273.165   14.476  271.007   15.771   45.031   1.1969   44.839   1.3095 0.1917496 1.774079 
1 1 1   10    6  -46 o   30.949   0.9983  128.883   8.2981  132.005   12.621  126.506   11.013   31.282   1.5021   30.638   1.3383 0.6445313 2.011829 
1 1 1   10    6  -45 o   45.526   0.9501  278.802   11.618  295.721   20.738  271.063   14.025   46.809   1.6495   44.871   1.1637 1.938274 2.018666 
1 1 1   10    6  -44 o  114.603   1.0979  1767.47   33.795  1769.97   45.529  1764.41   50.432  114.588   1.4793  114.358   1.6419 0.2296982 2.210039 
1 1 1   10    6  -43 o   41.231   0.8084  228.543   8.9525  232.875   12.673  224.228   12.648   41.599   1.1343   40.818   1.1537 0.7810402 1.617891 
1 1 1   10    6  -42 o   37.747   0.8194  191.543   8.3075  191.124   11.618  191.981   11.884   37.688   1.1477   37.771   1.1714 -0.8288193E-01 1.639953 
1 1 1   10    6  -41 o   21.748   1.3662   63.925   7.9398   63.776   9.5825   64.250   14.181   21.690   1.6574   21.646   2.4842 0.4392242E-01 2.986367 
1 1 1   10    6  -40 o   32.434   0.8290  141.386   7.2218  138.852   10.177  143.957   10.250   32.129   1.1793   32.714   1.1665 -0.5858269 1.658781 
1 1 1   10    6  -39 o   30.610   0.8295  125.917   6.8195  124.105   9.5455  127.806   9.7462   30.378   1.1699   30.828   1.1771 -0.4493542 1.659565 
1 1 1   10    6  -38 o   67.334   0.8552  609.273   15.466  606.225   19.904  613.916   24.569   67.151   1.1036   67.557   1.3540 -0.4061432 1.746794 
1 1 1   10    6  -37 o   60.574   0.8090  493.009   13.162  486.784   19.070  498.672   18.190   60.172   1.1800   60.907   1.1119 -0.7341156 1.621327 
1 1 1   10    6  -36 o   46.973   0.7338  296.429   9.2583  288.378   12.987  304.749   13.202   46.321   1.0439   47.618   1.0322 -1.297096 1.468035 
1 1 1   10    6  -35 o   93.286   0.8955  1169.30   22.438  1161.55   31.572  1177.22   31.895   92.952   1.2646   93.577   1.2690 -0.6245956 1.791519 
1 1 1   10    6  -34 o  136.291   1.3449  2497.29   49.234  2502.37   85.308  2494.75   60.287  136.280   2.3306  136.184   1.6482 0.9619141E-01 2.854484 
1 1 1   10    6  -33 o   65.089   0.8741  569.200   15.281  536.005   22.075  599.740   21.173   63.147   1.3015   66.801   1.1801 -3.654381 1.756863 
1 1 1   10    6  -32 o   98.865   1.0156  1313.30   26.968  1313.68   38.176  1312.91   38.101   98.854   1.4378   98.825   1.4354 0.2873993E-01 2.031687 
1 1 1   10    6  -31 o  143.731   1.2648  2776.27   48.826  2730.75   71.680  2815.68   66.689  142.489   1.8729  144.705   1.7159 -2.216568 2.540096 
1 1 1   10    6  -30 o  123.226   1.3113  2040.54   43.400  2022.54   54.927  2070.44   70.808  122.657   1.6673  124.060   2.1250 -1.403473 2.700990 
1 1 1   10    6  -29 o   86.620   0.9810  1007.93   22.823  1036.93   31.324  975.114   33.322   87.846   1.3276   85.182   1.4564 2.663788 1.970715 
1 1 1   10    6  -28 o  145.506   1.2754  2844.61   49.846  2850.77   74.089  2839.52   67.376  145.623   1.8942  145.348   1.7258 0.2752380 2.562533 
1 1 1   10    6  -27 o   59.503   0.8161  475.568   13.043  479.800   18.428  471.319   18.462   59.762   1.1481   59.232   1.1605 0.5307312 1.632404 
1 1 1   10    6  -26 o   96.032   0.9842  1238.76   25.387  1277.38   32.785  1180.93   40.119   97.511   1.2518   93.748   1.5933 3.763847 2.026237 
1 1 1   10    6  -25 o  194.682   1.5640  5092.35   81.781  5115.23  107.267  5060.59  126.382  195.085   2.0471  194.009   2.4253 1.076599 3.173805 
1 1 1   10    6  -24 o   29.310   1.0193  115.394   8.0241  114.778   8.7194  118.800   20.506   29.232   1.1106   29.611   2.6048 -0.3794136 2.831709 
1 1 1   10    6  -23 f   85.526   0.9554  982.468   21.947  971.932   26.800  1003.92   38.238   85.063   1.1730   86.442   1.6469 -1.379158 2.021982 
1 1 1   10    6  -22 o  156.985   1.4930  3310.67   62.953  3366.08   85.255  3244.23   93.353  158.272   2.0055  155.370   2.2370 2.902008 3.004367 
1 1 1   10    6  -21 o  262.275   2.1503  9243.64  151.479  8954.01  200.917  9625.10  230.580  258.068   2.8986  267.530   3.2089 -9.462341 4.324233 
1 1 1   10    6  -20 f   71.835   0.8255  693.062   15.928  729.551   25.394  669.394   20.452   73.697   1.2829   70.596   1.0786 3.101646 1.676063 
1 1 1   10    6  -19 o  234.128   1.8492  7364.54  116.288  7364.52  164.465  7364.56  164.447  234.080   2.6159  234.081   2.6156 -0.6866455E-03 3.699190 
1 1 1   10    6  -18 o  265.155   2.0786  9446.57  148.034  9482.97  209.790  9410.48  208.916  265.600   2.9408  264.583   2.9398 1.017029 4.158215 
1 1 1   10    6  -17 o  183.238   1.5422  4510.31   75.903  4466.98  102.157  4563.71  113.408  182.336   2.0860  184.291   2.2911 -1.954544 3.098453 
1 1 1   10    6  -16 o  130.534   1.1540  2288.61   40.460  2256.53   59.427  2316.34   55.239  129.605   1.7072  131.314   1.5662 -1.709534 2.316748 
1 1 1   10    6  -15 o   73.673   0.7561  728.958   14.962  734.971   21.149  722.933   21.169   73.974   1.0645   73.365   1.0743 0.6084366 1.512333 
1 1 1   10    6  -14 o   53.977   0.9108  391.301   13.204  393.360   16.441  387.560   22.162   54.117   1.1311   53.714   1.5362 0.4034042 1.907664 
1 1 1   10    6  -13 o  277.840   2.3793 10372.65  177.559 10257.28  278.364 10451.79  230.553  276.177   3.7526  278.846   3.0783 -2.668579 4.853666 
1 1 1   10    6  -12 f  245.368   1.9307  8088.20  127.244  8051.33  179.166  8125.72  180.744  244.766   2.7253  245.894   2.7367 -1.127472 3.862208 
1 1 1   10    6  -11 o  208.812   1.6608  5857.04   93.145  5745.11  130.102  5974.74  133.415  206.782   2.3425  210.874   2.3555 -4.091522 3.322024 
1 1 1   10    6  -10 o  116.643   1.1613  1827.36   36.383  1767.20   48.012  1908.50   55.759  114.701   1.5584  119.196   1.7417 -4.494415 2.337120 
1 1 1   10    6   -9 o  140.698   1.1716  2658.78   44.276  2629.26   62.198  2689.11   63.042  139.907   1.6552  141.491   1.6589 -1.583267 2.343370 
1 1 1   10    6   -8 o  233.605   1.8420  7330.50  115.577  7318.31  163.229  7342.74  163.674  233.383   2.6040  233.772   2.6067 -0.3890991 3.684509 
1 1 1   10    6   -7 o  354.937   2.7486 16927.07  262.030 16789.88  368.481 17067.40  372.686  353.408   3.8819  356.315   3.8942 -2.907532 5.498552 
1 1 1   10    6   -6 o  212.815   1.6884  6083.38   96.509  6027.62  135.733  6140.40  137.249  211.819   2.3858  213.791   2.3902 -1.972351 3.377094 
1 1 1   10    6   -5 o  112.838   1.0767  1710.02   32.632  1691.13   41.947  1738.98   51.933  112.210   1.3918  113.783   1.6993 -1.573242 2.196547 
1 1 1   10    6   -4 o  132.092   1.2180  2343.43   43.214  2293.88   55.171  2422.08   69.512  130.684   1.5718  134.282   1.9273 -3.597305 2.486982 
1 1 1   10    6   -3 o  388.113   3.2846 20241.19  342.404 20353.76  443.689 20075.42  538.405  389.114   4.2453  386.350   5.1884 2.764008 6.703919 
1 1 1   10    6   -2 o  254.623   1.9972  8708.60  136.589  8790.07  194.275  8628.96  192.077  255.784   2.8278  253.429   2.8218 2.354752 3.994889 
1 1 1   10    6   -1 o   43.497   0.8540  254.098   9.9776  282.374   16.133  236.584   12.697   45.852   1.3100   41.971   1.1263 3.881638 1.727614 
1 1 1   10    6    0 o  109.195   1.1745  1601.39   34.447  1570.27   55.730  1620.64   43.821  108.122   1.9190  109.847   1.4853 -1.724678 2.426678 
1 1 1   10    6    1 o  195.175   1.8016  5116.64   94.445  5148.83  164.154  5100.71  115.470  195.755   3.1221  194.863   2.2062 0.8918610 3.822949 
1 1 1   10    6    2 o  153.667   1.4577  3171.56   60.165  3178.79   80.895  3162.60   90.005  153.835   1.9578  153.439   2.1839 0.3959351 2.933026 
1 1 1   10    6    3 o  355.460   3.1785 16977.94  303.466 17476.57  463.709 16604.41  401.345  360.516   4.7888  351.452   4.2517 9.063995 6.403876 
1 1 1   10    6    4 o  231.129   2.2334  7176.19  138.647  7014.45  223.223  7277.78  176.909  228.456   3.6378  232.739   2.8300 -4.283325 4.608994 
1 1 1   10    6    5 o  239.049   1.8819  7675.87  120.831  7652.33  170.584  7699.57  171.179  238.657   2.6612  239.393   2.6622 -0.7355804 3.764215 
1 1 1   10    6    6 o  158.193   1.2943  3361.09   54.993  3399.79   78.309  3323.44   77.246  159.092   1.8326  157.296   1.8284 1.796600 2.588712 
1 1 1   10    6    7 o  176.171   1.4230  4168.61   67.334  4165.61   95.213  4171.60   95.236  176.096   2.0131  176.223   2.0121 -0.1266022 2.846212 
1 1 1   10    6    8 o   54.930   0.8156  405.223   12.034  404.953   19.581  405.387   15.254   54.909   1.3277   54.940   1.0337 -0.3077698E-01 1.682668 
1 1 1   10    6    9 o  218.336   1.7301  6403.44  101.459  6507.57  144.938  6303.38  142.075  220.079   2.4520  216.599   2.4421 3.479782 3.460648 
1 1 1   10    6   10 o  173.658   1.5382  4050.76   71.748  3986.95  100.471  4117.17  102.493  172.268   2.1714  175.059   2.1798 -2.790329 3.076800 
1 1 1   10    6   11 o  206.775   1.6459  5743.32   91.411  5746.21  129.294  5740.43  129.257  206.803   2.3277  206.699   2.3282 0.1040344 3.292237 
1 1 1   10    6   12 f   61.694   0.7619  511.180   12.626  513.417   16.343  507.868   19.884   61.828   0.9841   61.491   1.2039 0.3363953 1.554995 
1 1 1   10    6   13 o  146.763   1.2698  2893.09   50.056  2928.53   68.273  2851.90   73.608  147.649   1.7216  145.701   1.8809 1.948608 2.549833 
1 1 1   10    6   14 o  226.151   1.7888  6870.72  108.655  6875.87  153.683  6865.58  153.640  226.199   2.5295  226.030   2.5307 0.1694031 3.578159 
1 1 1   10    6   15 o  197.213   1.7270  5224.79   91.477  5269.56  118.786  5159.53  143.397  198.035   2.2332  195.932   2.7249 2.103485 3.523083 
1 1 1   10    6   16 o  160.559   1.4399  3462.78   62.093  3452.32   87.736  3473.29   87.890  160.298   2.0378  160.784   2.0352 -0.4862976 2.880026 
1 1 1   10    6   17 o  173.858   1.5445  4060.38   72.122  4039.35  113.575  4074.58   93.362  173.374   2.4390  174.147   1.9960 -0.7730865 3.151621 
1 1 1   10    6   18 o  216.821   1.8863  6315.95  109.848  6142.99  170.827  6437.89  143.436  213.767   2.9753  218.874   2.4399 -5.107025 3.847765 
1 1 1   10    6   19 o  219.964   1.7462  6500.15  103.169  6571.21  146.860  6430.92  144.964  221.123   2.4727  218.750   2.4673 2.372757 3.493117 
1 1 1   10    6   20 f  266.209   2.2869  9523.36  163.519  9314.60  254.582  9669.97  213.346  263.147   3.6019  268.190   2.9618 -5.043121 4.663255 
1 1 1   10    6   21 o  368.988   3.1317 18308.63  310.371 18481.19  493.542 18195.74  399.183  370.358   4.9615  367.689   4.0420 2.668640 6.399549 
1 1 1   10    6   22 o  213.878   1.8665  6146.30  107.225  6182.39  152.133  6110.68  151.149  214.451   2.6412  213.204   2.6395 1.247162 3.734012 
1 1 1   10    6   23 f  109.691   1.0754  1616.16   31.682  1643.46   50.600  1598.55   40.633  110.599   1.7034  109.085   1.3868 1.513382 2.196525 
1 1 1   10    6   24 o  117.058   1.0758  1840.56   33.823  1891.58   50.944  1800.34   45.230  118.655   1.5985  115.762   1.4547 2.892502 2.161327 
1 1 1   10    6   25 o   38.103   0.8423  195.005   8.6207  204.522   13.519  188.482   11.192   39.018   1.2899   37.459   1.1124 1.559734 1.703324 
1 1 1   10    6   26 o   99.429   1.3001  1328.16   34.720  1362.47   43.422  1267.34   57.813  100.696   1.6055   97.092   2.2169 3.603645 2.737221 
1 1 1   10    6   27 o  213.141   1.7012  6105.26   97.392  6156.11  138.349  6055.31  137.126  213.950   2.4075  212.191   2.4060 1.758575 3.403696 
1 1 1   10    6   28 o  209.495   1.6750  5898.64   94.247  5797.14  131.761  6004.98  134.865  207.604   2.3630  211.290   2.3765 -3.686768 3.351296 
1 1 1   10    6   29 o  154.353   1.4049  3201.63   58.243  3189.84   82.089  3213.57   82.650  154.020   1.9843  154.591   1.9905 -0.5712891 2.810652 
1 1 1   10    6   30 o  162.205   1.3384  3535.77   58.309  3515.00   82.138  3556.86   82.789  161.674   1.8915  162.633   1.8953 -0.9594879 2.677671 
1 1 1   10    6   31 o   69.433   0.7793  647.597   14.533  642.379   20.419  652.954   20.690   69.143   1.0995   69.710   1.1050 -0.5665970 1.558827 
1 1 1   10    6   32 o  107.048   1.0172  1539.72   29.247  1553.88   39.732  1522.97   43.209  107.517   1.3759  106.432   1.5115 1.084854 2.043935 
1 1 1   10    6   33 o   90.149   0.8793  1091.86   21.291  1077.71   29.802  1106.60   30.429   89.544   1.2391   90.736   1.2486 -1.191551 1.759087 
1 1 1   10    6   34 o   77.508   0.8799  807.160   18.317  798.008   25.725  816.571   26.087   77.049   1.2430   77.940   1.2461 -0.8908310 1.760122 
1 1 1   10    6   35 o   84.311   0.8911  955.118   20.180  976.664   30.220  937.778   27.110   85.230   1.3201   83.524   1.2084 1.706238 1.789685 
1 1 1   10    6   36 o   55.921   0.9998  420.271   15.017  389.728   20.247  457.625   22.390   53.833   1.4003   58.332   1.4291 -4.499397 2.000762 
1 1 1   10    6   37 o  139.646   1.3010  2622.43   48.796  2609.97   62.522  2641.86   78.049  139.253   1.6716  140.018   2.0754 -0.7645721 2.664851 
1 1 1   10    6   38 o   73.246   0.8766  720.984   17.246  734.671   22.670  702.184   26.570   73.920   1.1418   72.249   1.3692 1.671219 1.782812 
1 1 1   10    6   39 o   19.944   1.1866   53.683   6.3274   49.479   9.5345   56.992   8.4585   19.068   1.8864   20.518   1.5462 -1.449738 2.439145 
1 1 1   10    6   40 o   53.447   0.7665  383.896   11.003  391.843   15.553  375.931   15.569   53.980   1.0727   52.871   1.0964 1.108952 1.533853 
1 1 1   10    6   41 o   43.165   0.9423  250.516   10.925  247.724   14.264  254.478   16.991   42.905   1.2378   43.469   1.4553 -0.5641098 1.910493 
1 1 1   10    6   42 o   47.477   0.8544  303.033   10.895  289.869   14.140  322.267   17.092   46.415   1.1342   48.925   1.3007 -2.510559 1.725755 
1 1 1   10    6   43 o   54.609   0.8875  401.004   13.017  376.211   20.731  417.141   16.726   52.837   1.4608   55.677   1.1184 -2.839493 1.839819 
1 1 1   10    6   44 o   59.448   0.8974  475.272   14.329  466.179   21.384  482.681   19.303   58.825   1.3534   59.877   1.2002 -1.052128 1.808973 
1 1 1   10    6   45 o   64.173   0.8143  553.725   14.035  545.966   19.773  561.604   19.924   63.683   1.1560   64.589   1.1485 -0.9066353 1.629523 
1 1 1   10    6   46 o   38.182   0.8479  196.065   8.6952  188.375   12.232  203.920   12.363   37.398   1.2177   38.914   1.1829 -1.515751 1.697637 
1 1 1   10    6   47 o   36.595   0.8831  180.145   8.6797  174.650   12.173  185.829   12.380   36.001   1.2589   37.137   1.2411 -1.136036 1.767806 
1 1 1   10    6   48 o   33.532   0.9335  151.317   8.4075  157.922   12.044  145.040   11.742   34.222   1.3103   32.794   1.3330 1.427883 1.869200 
1 1 1   10    6   49 o   36.582   0.9332  180.130   9.1696  186.241   13.383  174.723   12.589   37.152   1.3412   35.990   1.3023 1.162319 1.869410 
1 1 1   10    6   50 o   14.927   1.8489   30.658   7.2543   29.154   11.787   31.574   9.2038   14.271   3.1588   15.045   2.3548 -0.7749100 3.939891 
1 1 1   10    6   51 o   10.414   2.5826   15.424   7.1885   12.518   9.2021   19.973   11.514   9.6376   3.1171   11.854   3.4243 -2.216709 4.630577 
1 1 1   10    6   52 o   23.017   1.4399   71.858   8.8567   69.094   13.117   74.175   12.007   22.418   2.2071   23.295   1.9366 -0.8772545 2.936245 
1 1 1   10    6   53 o   66.128   0.9212  588.770   16.363  606.783   24.528  574.325   21.964   67.030   1.3624   65.240   1.2535 1.789436 1.851272 
1 1 1   10    6   54 o   21.461   1.4665   62.570   8.4027   64.568   12.718   61.023   11.194   21.647   2.2188   21.089   2.0000 0.5579128 2.987152 
1 1 1   10    6   55 o   19.664   1.5135   52.660   7.9325   63.060   10.990   41.351   11.461   21.443   1.9289   17.170   2.5637 4.272429 3.208326 
1 1 1   10    6   56 o   47.955   1.0716  310.322   13.802  320.384   20.715  302.289   18.508   48.588   1.5874   47.234   1.4589 1.353756 2.155938 
1 1 1   10    6   57 o   48.488   1.0979  317.638   14.299  344.414   22.292  298.920   18.638   50.301   1.6500   46.923   1.4788 3.377861 2.215732 
1 1 1   10    6   58 f   21.709   1.8539   65.010   10.706   65.989   14.078   63.667   16.487   21.659   2.4638   21.045   3.0018 0.6135540 3.883460 
1 1 1   10    6   59 o   35.063   1.2885  166.999   12.135  176.676   18.370  159.507   16.164   35.771   1.9190   34.052   1.7734 1.718899 2.612953 
1 1 1   10    6   60 o   20.475   1.8914   58.363   10.284   51.916   13.417   67.543   16.011   18.952   2.7134   21.595   2.8283 -2.643541 3.919399 
1 1 1   10    7  -60 o   17.338   2.8778   44.186   12.932   33.583   17.924   55.697   18.675   14.445   4.3001   18.957   3.8001 -4.511761 5.738600 
1 1 1   10    7  -59 o   9.5798   3.5534   11.489   12.165   27.913   17.728  -3.1254   16.724   13.429   4.3247   8.2957   3.6993 5.133177 5.691022 
1 1 1   10    7  -58 o   35.891   1.7276  176.338   16.653  160.700   30.305  183.103   19.933   33.199   3.4489   36.380   2.0483 -3.180984 4.011228 
1 1 1   10    7  -57 f   29.257   1.4456  116.276   11.360  112.323   14.243  123.185   18.830   28.590   1.8650   29.741   2.3772 -1.150488 3.021484 
1 1 1   10    7  -56 o   18.992   1.7756   49.558   8.9523   32.260   12.747   66.393   12.575   14.866   3.2804   21.897   2.1666 -7.030797 3.931325 
1 1 1   10    7  -55 o   20.151   1.4214   55.234   7.6438   49.669   10.574   61.325   11.062   18.954   2.1130   21.120   1.9730 -2.165756 2.890941 
1 1 1   10    7  -54 o   21.962   1.4174   65.494   8.3163   62.886   12.602   67.506   11.069   21.346   2.2310   22.209   1.8730 -0.8636322 2.913007 
1 1 1   10    7  -53 o   35.782   0.9561  172.441   9.1884  178.872   13.179  166.359   12.817   36.391   1.3484   35.093   1.3598 1.297596 1.914980 
1 1 1   10    7  -52 o   22.871   1.2703   70.809   7.7730   74.898   11.290   67.124   10.718   23.432   1.8078   22.174   1.8155 1.257990 2.562084 
1 1 1   10    7  -51 o   39.425   0.8375  209.184   8.8683  210.594   13.381  208.079   11.843   39.505   1.2610   39.288   1.1223 0.2171707 1.688128 
1 1 1   10    7  -50 o   38.121   0.9425  195.668   9.6504  176.092   14.121  212.822   13.219   36.099   1.4564   39.720   1.2391 -3.620445 1.912164 
1 1 1   10    7  -49 o   67.467   1.0920  613.309   19.787  600.565   24.090  639.743   34.694   66.706   1.3446   68.683   1.8806 -1.977600 2.311853 
1 1 1   10    7  -48 o   44.330   0.9702  264.547   11.551  277.519   15.153  246.549   17.848   45.369   1.2435   42.715   1.5557 2.653973 1.991609 
1 1 1   10    7  -47 o   40.907   0.8649  225.123   9.5025  220.887   13.367  229.451   13.512   40.485   1.2292   41.264   1.2191 -0.7785492 1.731271 
1 1 1   10    7  -46 o   62.723   0.8616  529.174   14.515  533.203   21.859  525.997   19.412   62.900   1.2939   62.495   1.1564 0.4043045 1.735353 
1 1 1   10    7  -45 o   42.374   0.9488  241.555   10.798  274.137   19.118  226.294   13.085   45.071   1.5793   40.993   1.1884 4.078468 1.976472 
1 1 1   10    7  -44 o   30.250   0.9931  123.113   8.0687  127.660   10.759  117.267   12.198   30.784   1.3012   29.446   1.5477 1.338650 2.022022 
1 1 1   10    7  -43 o   37.570   0.8493  189.794   8.5702  204.480   11.648  172.461   12.655   38.979   1.1126   35.782   1.3167 3.196934 1.723804 
1 1 1   10    7  -42 o   19.317   1.1628   50.403   6.0050   36.065   8.2255   66.766   8.7868   16.228   1.9247   22.209   1.4815 -5.981461 2.428870 
1 1 1   10    7  -41 o   56.510   0.7824  429.236   11.876  437.857   16.832  420.692   16.758   57.050   1.0985   55.919   1.1157 1.130974 1.565743 
1 1 1   10    7  -40 o   41.080   1.0009  226.928   11.043  239.018   13.652  204.042   18.783   42.148   1.2060   38.897   1.7979 3.250717 2.164873 
1 1 1   10    7  -39 o   69.204   0.7985  643.635   14.843  640.419   20.906  646.903   21.076   69.006   1.1280   69.354   1.1314 -0.3481369 1.597633 
1 1 1   10    7  -38 o   64.298   0.8051  555.577   13.903  552.934   18.736  558.815   20.741   64.128   1.0878   64.460   1.1980 -0.3320236 1.618145 
1 1 1   10    7  -37 o   91.647   0.9839  1128.93   24.219  1126.04   33.918  1131.94   34.593   91.492   1.3802   91.728   1.4041 -0.2365036 1.968887 
1 1 1   10    7  -36 o   66.714   0.7833  598.013   14.036  599.298   21.507  597.060   18.525   66.764   1.1994   66.649   1.0349 0.1151276 1.584104 
1 1 1   10    7  -35 o   54.665   0.7427  401.476   10.904  390.759   15.232  412.741   15.617   53.920   1.0518   55.416   1.0492 -1.495995 1.485619 
1 1 1   10    7  -34 o   47.056   0.7746  297.484   9.7895  299.321   14.682  296.014   13.135   47.190   1.1584   46.932   1.0420 0.2574844 1.558113 
1 1 1   10    7  -33 o  118.107   1.2718  1875.15   40.346  1859.77   64.696  1884.94   51.611  117.529   2.0495  118.378   1.6232 -0.8490448 2.614419 
1 1 1   10    7  -32 o  103.208   1.0948  1431.45   30.348  1393.24   44.543  1464.55   41.459  101.781   1.6294  104.366   1.4790 -2.585342 2.200534 
1 1 1   10    7  -31 o   58.122   0.7726  453.810   12.062  454.269   17.970  453.434   16.272   58.141   1.1507   58.091   1.0429 0.5006409E-01 1.552994 
1 1 1   10    7  -30 o   41.374   0.8083  229.953   8.9819  216.311   14.365  238.709   11.509   40.118   1.3332   42.151   1.0166 -2.032654 1.676520 
1 1 1   10    7  -29 o  111.689   1.1436  1676.08   34.305  1674.62   38.965  1681.13   72.344  111.632   1.2995  111.761   2.4100 -0.1293716 2.738072 
1 1 1   10    7  -28 o  140.593   1.4465  2656.38   54.624  2600.64   68.233  2755.84   91.148  139.082   1.8266  143.118   2.3712 -4.036331 2.993117 
1 1 1   10    7  -27 o  187.907   1.5863  4745.27   80.059  4748.46  108.338  4741.43  118.831  187.914   2.1465  187.749   2.3565 0.1645508 3.187521 
1 1 1   10    7  -26 o   99.608   0.9623  1332.76   25.746  1333.13   31.990  1332.07   43.378   99.615   1.1956   99.561   1.6222 0.5461884E-01 2.015177 
1 1 1   10    7  -25 f  112.333   1.0448  1695.05   31.525  1690.97   42.414  1700.08   47.122  112.187   1.4076  112.482   1.5597 -0.2959061 2.100950 
1 1 1   10    7  -24 o  179.111   1.5188  4310.30   73.064  4271.86   98.256  4357.85  109.275  178.277   2.0520  180.046   2.2597 -1.769135 3.052346 
1 1 1   10    7  -23 o  214.488   1.7076  6181.55   98.374  6219.52  139.521  6144.01  138.727  215.089   2.4151  213.779   2.4160 1.309784 3.416109 
1 1 1   10    7  -22 o   51.486   0.6962  356.024   9.6272  348.714   13.352  363.939   13.894   50.953   0.9756   52.053   0.9938 -1.100281 1.392633 
1 1 1   10    7  -21 f  110.402   1.1964  1637.24   35.477  1563.23   43.786  1778.66   60.529  107.871   1.5113  115.051   1.9588 -7.179657 2.474009 
1 1 1   10    7  -20 o  216.816   1.8866  6316.26  109.866  6221.95  140.515  6464.60  176.228  215.156   2.4315  219.265   2.9924 -4.108826 3.855708 
1 1 1   10    7  -19 o  132.716   1.2948  2365.93   46.155  2305.59   68.056  2417.32   62.805  130.995   1.9343  134.137   1.7432 -3.142502 2.603902 
1 1 1   10    7  -18 o  167.587   1.3665  3772.64   61.512  3827.72   87.711  3719.33   86.288  168.787   1.9347  166.380   1.9309 2.406708 2.733416 
1 1 1   10    7  -17 o  136.452   1.1475  2500.85   42.057  2480.42   59.103  2521.80   59.858  135.883   1.6194  137.011   1.6266 -1.128525 2.295264 
1 1 1   10    7  -16 o  158.205   1.2984  3361.90   55.171  3308.93   77.245  3417.05   78.826  156.938   1.8325  159.482   1.8402 -2.543289 2.597005 
1 1 1   10    7  -15 o   68.856   0.9208  636.774   17.030  612.136   23.712  663.018   24.473   67.507   1.3078   70.257   1.2969 -2.749802 1.841775 
1 1 1   10    7  -14 o  155.448   1.2783  3245.72   53.370  3266.11   75.702  3225.57   75.253  155.922   1.8076  154.951   1.8082 0.9706268 2.556738 
1 1 1   10    7  -13 o   95.902   1.0101  1235.28   26.018  1211.71   34.589  1265.99   39.485   94.979   1.3559   97.080   1.5143 -2.101776 2.032598 
1 1 1   10    7  -12 o  403.069   3.4133 21844.91  369.526 21631.14  579.627 21991.29  479.635  400.729   5.3852  404.251   4.4174 -3.522156 6.965220 
1 1 1   10    7  -11 o  288.401   2.4650 11176.74  190.943 11101.00  300.400 11228.08  247.337  287.295   3.8930  289.005   3.1863 -1.710602 5.030693 
1 1 1   10    7  -10 o   99.297   1.0953  1324.29   29.211  1272.14   40.430  1381.24   42.252   97.316   1.5468  101.403   1.5513 -4.086845 2.190690 
1 1 1   10    7   -9 o  352.730   2.7331 16720.59  258.935 16641.96  364.961 16800.28  367.431  351.777   3.8627  353.445   3.8704 -1.668365 5.468134 
1 1 1   10    7   -8 o  375.195   2.9023 18919.24  292.472 18752.19  411.289 19090.13  415.988  373.395   4.1010  376.743   4.1110 -3.348145 5.806714 
1 1 1   10    7   -7 f  157.717   1.2918  3341.01   54.723  3315.84   77.071  3366.60   77.712  157.110   1.8264  158.308   1.8276 -1.197876 2.583797 
1 1 1   10    7   -6 o  146.336   1.3286  2876.26   52.220  2878.96   67.391  2872.19   82.611  146.398   1.7139  146.217   2.1035 0.1811829 2.713338 
1 1 1   10    7   -5 f  261.972   2.2488  9220.22  158.233  9317.94  205.591  9078.21  247.834  263.322   2.9069  259.870   3.5507 3.451263 4.588818 
1 1 1   10    7   -4 o  243.881   1.9178  7989.84  125.623  7971.52  177.401  8008.26  177.916  243.568   2.7117  244.129   2.7133 -0.5606079 3.836087 
1 1 1   10    7   -3 o   91.396   0.8852  1121.86   21.731  1136.15   32.471  1110.28   29.245   91.973   1.3144   90.920   1.1976 1.052277 1.778185 
1 1 1   10    7   -2 o  130.535   1.1516  2288.52   40.377  2266.09   54.405  2316.02   60.243  129.888   1.5595  131.309   1.7081 -1.420914 2.312939 
1 1 1   10    7   -1 o  340.361   2.6387 15565.15  241.227 15508.28  340.337 15622.55  341.963  339.656   3.7306  340.905   3.7347 -1.248718 5.278753 
1 1 1   10    7    0 o  220.099   1.9102  6507.40  112.924  6672.61  162.442  6352.89  157.091  222.846   2.7139  217.443   2.6898 5.403351 3.821032 
1 1 1   10    7    1 o  151.772   1.5315  3093.97   62.432  3137.99   89.029  3051.38   87.574  152.835   2.1688  150.711   2.1634 2.123703 3.063323 
1 1 1   10    7    2 o  168.826   1.7952  3828.61   81.406  3994.12  156.185  3766.88   95.387  172.387   3.3732  167.452   2.1208 4.934708 3.984530 
1 1 1   10    7    3 o   52.486   0.8137  369.973   11.471  361.978   16.329  377.763   16.119   51.914   1.1710   53.035   1.1316 -1.120010 1.628437 
1 1 1   10    7    4 o  243.163   1.9127  7942.81  124.923  7966.08  177.030  7919.74  176.308  243.485   2.7070  242.776   2.7038 0.7089844 3.825986 
1 1 1   10    7    5 f  164.614   1.3405  3639.62   59.270  3682.22   84.421  3598.22   83.231  165.563   1.8984  163.664   1.8934 1.899094 2.681232 
1 1 1   10    7    6 o  174.539   1.4115  4091.82   66.170  4082.06   93.451  4101.63   93.706  174.316   1.9960  174.734   1.9966 -0.4174042 2.823195 
1 1 1   10    7    7 f  281.087   2.1947 10615.06  165.698 10612.47  234.290 10617.65  234.374  280.996   3.1043  281.064   3.1046 -0.6848145E-01 4.390374 
1 1 1   10    7    8 o  191.745   1.5363  4938.58   79.123  4909.29  111.397  4968.41  112.403  191.156   2.1697  192.303   2.1762 -1.147293 3.073011 
1 1 1   10    7    9 o  273.540   2.1388 10052.89  157.136 10017.41  221.739 10088.68  222.711  272.999   3.0241  273.968   3.0266 -0.9691467 4.278439 
1 1 1   10    7   10 o  220.297   1.7449  6519.40  103.244  6573.22  146.728  6466.63  145.301  221.171   2.4700  219.371   2.4660 1.800415 3.490287 
1 1 1   10    7   11 o  164.610   1.3422  3639.57   59.342  3588.72   83.175  3692.29   84.689  163.441   1.8947  165.783   1.9019 -2.341553 2.684627 
1 1 1   10    7   12 o  191.490   1.6042  4925.73   82.507  4982.73  123.076  4879.21  111.193  192.564   2.3796  190.562   2.1724 2.001358 3.222122 
1 1 1   10    7   13 o  259.243   2.2289  9030.40  155.201  9017.85  244.824  9038.83  200.676  258.960   3.5199  259.318   2.8812 -0.3577881 4.548728 
1 1 1   10    7   14 o  189.542   1.8622  4826.56   94.805  4864.36  134.641  4789.39  133.515  190.247   2.6349  188.775   2.6333 1.471680 3.725168 
1 1 1   10    7   15 o  106.164   1.0359  1513.79   29.539  1465.35   45.741  1548.44   38.689  104.442   1.6306  107.368   1.3416 -2.925377 2.111533 
1 1 1   10    7   16 o  149.005   1.2349  2982.21   49.421  2974.69   69.707  2989.81   70.079  148.804   1.7441  149.182   1.7490 -0.3775330 2.469973 
1 1 1   10    7   17 o  110.016   0.9727  1625.64   28.744  1621.23   40.512  1630.10   40.790  109.861   1.3729  110.161   1.3786 -0.3000107 1.945621 
1 1 1   10    7   18 o   99.227   0.9078  1322.41   24.193  1368.69   34.726  1278.76   33.724  100.943   1.2808   97.571   1.2869 3.372849 1.815631 
1 1 1   10    7   19 o  210.850   1.8390  5973.11  104.145  6108.28  166.668  5886.53  133.394  213.151   2.9112  209.285   2.3730 3.865936 3.755853 
1 1 1   10    7   20 o  108.518   1.0632  1581.73   30.988  1640.73   49.862  1544.60   39.554  110.510   1.6799  107.231   1.3733 3.279144 2.169806 
1 1 1   10    7   21 f   99.739   0.9168  1336.12   24.559  1353.59   34.874  1318.94   34.592  100.382   1.2935   99.089   1.2997 1.293472 1.833679 
1 1 1   10    7   22 o  145.563   1.2688  2846.30   49.606  2786.50   72.494  2898.96   68.026  144.003   1.8743  146.887   1.7242 -2.883835 2.546762 
1 1 1   10    7   23 o   90.192   0.9458  1092.62   22.911  1080.94   29.413  1110.66   36.535   89.704   1.2208   90.922   1.4960 -1.218727 1.930915 
1 1 1   10    7   24 o   34.423   0.9759  159.161   9.0231  158.434   13.642  159.726   12.030   34.340   1.4791   34.481   1.2990 -0.1414795 1.968516 
1 1 1   10    7   25 f  190.582   1.6063  4880.64   82.226  4996.35  123.813  4789.33  109.981  192.760   2.3914  188.746   2.1694 4.014114 3.228837 
1 1 1   10    7   26 o  103.083   1.1502  1427.52   31.845  1428.79   45.165  1426.26   44.907  103.112   1.6308  103.021   1.6229 0.9080505E-01 2.300749 
1 1 1   10    7   27 o   84.734   0.8858  964.439   20.160  951.386   33.092  972.144   25.423   84.142   1.4642   85.066   1.1127 -0.9240265 1.839052 
1 1 1   10    7   28 o   64.002   0.8259  550.233   14.197  544.639   19.883  556.052   20.277   63.669   1.1627   64.332   1.1735 -0.6633377 1.651962 
1 1 1   10    7   29 o  125.956   1.0911  2131.54   36.913  2138.02   52.226  2125.08   52.179  126.119   1.5417  125.736   1.5451 0.3825836 2.182699 
1 1 1   10    7   30 o   86.514   0.8550  1005.47   19.866  1003.61   27.983  1007.36   28.210   86.420   1.2055   86.581   1.2131 -0.1612244 1.710212 
1 1 1   10    7   31 o   91.911   0.8873  1134.93   21.904  1161.47   31.266  1109.34   30.695   92.962   1.2522   90.851   1.2579 2.110664 1.774900 
1 1 1   10    7   32 o   54.665   0.8769  401.484   12.875  407.097   19.554  397.188   17.107   55.031   1.3230   54.363   1.1716 0.6682053 1.767168 
1 1 1   10    7   33 o   26.570   0.8941   94.852   6.3803   98.812   8.9688   90.794   9.0786   27.113   1.2316   25.955   1.3065 1.157644 1.795445 
1 1 1   10    7   34 o   30.825   0.8645  127.664   7.1577  140.928   10.807  117.299   9.5535   32.378   1.2427   29.540   1.2041 2.837799 1.730377 
1 1 1   10    7   35 o   68.050   0.8503  622.222   15.541  613.575   23.977  628.486   20.408   67.551   1.3215   68.379   1.1112 -0.8283997 1.726598 
1 1 1   10    7   36 o   39.630   0.7492  211.008   7.9743  212.313   10.319  209.073   12.565   39.746   0.9666   39.435   1.1863 0.3118057 1.530230 
1 1 1   10    7   37 o  123.502   1.0817  2050.48   35.881  2028.67   46.619  2082.17   56.199  122.798   1.4134  124.362   1.6825 -1.563332 2.197397 
1 1 1   10    7   38 o  106.558   1.0327  1526.50   29.555  1541.41   39.979  1508.53   43.888  107.031   1.3907  105.860   1.5436 1.171242 2.077649 
1 1 1   10    7   39 o  109.420   1.1035  1610.14   32.430  1600.41   41.404  1625.58   52.165  109.040   1.4137  109.824   1.7685 -0.7831497 2.264068 
1 1 1   10    7   40 o   23.908   1.2951   77.156   8.2852   87.826   12.426   68.617   11.117   25.452   1.8299   22.478   1.8581 2.974840 2.607848 
1 1 1   10    7   41 o   46.190   0.7940  286.780   9.8510  281.159   13.791  292.636   14.076   45.714   1.1232   46.637   1.1237 -0.9235992 1.588812 
1 1 1   10    7   42 o   21.161   1.2604   60.499   7.1308   54.584   8.9165   70.994   11.877   20.047   1.6712   22.840   1.9549 -2.793251 2.571908 
1 1 1   10    7   43 o   37.490   0.9039  189.020   9.1017  191.069   12.479  186.691   13.305   37.670   1.2333   37.228   1.3306 0.4419327 1.814244 
1 1 1   10    7   44 o   18.919   1.2900   48.436   6.5162   53.494   8.8949   42.578   9.5729   19.837   1.6854   17.621   2.0617 2.216017 2.662925 
1 1 1   10    7   45 o   62.997   0.8456  533.704   14.308  519.170   21.027  546.235   19.525   62.080   1.2610   63.696   1.1413 -1.615395 1.700782 
1 1 1   10    7   46 o   49.311   0.8162  327.004   10.811  311.311   15.067  343.655   15.520   48.078   1.1668   50.516   1.1438 -2.438606 1.633946 
1 1 1   10    7   47 o   46.699   0.8735  293.391   10.956  291.118   16.717  295.102   14.505   46.463   1.3396   46.804   1.1538 -0.3418617 1.767981 
1 1 1   10    7   48 o   46.665   0.8387  292.971   10.512  289.586   15.018  296.222   14.719   46.350   1.2063   46.883   1.1688 -0.5334358 1.679722 
1 1 1   10    7   49 o   18.245   1.5963   45.358   7.7438   51.631   11.060   39.326   10.846   19.367   2.1632   16.799   2.4781 2.567636 3.289477 
1 1 1   10    7   50 o   22.064   1.4376   66.045   8.4728   71.021   11.988   61.078   11.977   22.784   1.9786   21.080   2.1453 1.703423 2.918357 
1 1 1   10    7   51 o   26.627   1.1521   95.595   8.2395   99.598   11.639   91.573   11.666   27.081   1.6073   25.949   1.6828 1.131916 2.327111 
1 1 1   10    7   52 o   33.747   0.9857  153.395   8.9342  166.203   12.723  140.936   12.549   35.082   1.3502   32.292   1.4468 2.789783 1.978968 
1 1 1   10    7   53 o   15.740   1.8654   34.093   7.7328   36.862   10.230   30.402   11.811   16.250   2.4174   14.563   3.1140 1.687614 3.942219 
1 1 1   10    7   54 o   11.381   2.5712   18.471   7.6743   16.307   11.653   20.129   10.198   10.885   3.5063   11.832   3.1523 -0.9470139 4.715021 
1 1 1   10    7   55 o   43.881   0.9189  259.453   10.830  258.050   15.534  260.780   15.108   43.684   1.3239   43.924   1.2806 -0.2402153 1.841898 
1 1 1   10    7   56 o   17.063   2.1508   40.524   9.6380   65.548   15.336   24.188   12.391   21.577   2.7056   12.842   3.4977 8.735680 4.422030 
1 1 1   10    7   57 f   25.790   1.5866   90.891   10.937   94.559   14.985   86.710   16.000   26.121   2.1552   24.904   2.4227 1.216560 3.242567 
1 1 1   10    7   58 o   33.247   1.2965  150.064   11.578  146.277   16.845  153.454   15.939   32.557   1.9350   33.416   1.7823 -0.8590736 2.630755 
1 1 1   10    7   59 o   14.163   2.8982   29.527   10.653   20.468   14.959   38.853   15.176   11.792   3.9803   15.967   3.6220 -4.174113 5.381633 
1 1 1   10    7   60 o   9.3618   3.5414   10.759   12.206   16.056   17.403   5.6313   17.124   11.048   4.2168   9.3991   3.9643 1.648653 5.787612 
1 1 1   10    8  -59 o   38.036   1.8163  199.630   18.556  239.700   32.239  179.780   22.691   40.694   2.9701   35.687   2.3810 5.007191 3.806643 
1 1 1   10    8  -58 o   12.747   3.5052   24.535   12.375   9.4605   17.041   41.352   17.999   10.069   4.0701   16.291   4.1129 -6.221623 5.786339 
1 1 1   10    8  -57 o   23.988   1.6796   78.976   10.753   65.868   16.573   88.505   14.131   21.410   2.9614   25.251   2.1026 -3.841667 3.631949 
1 1 1   10    8  -56 o   16.669   2.2360   38.906   9.7581   42.844   12.886   33.611   14.941   17.292   2.8754   15.007   3.7243 2.284263 4.705189 
1 1 1   10    8  -55 o   23.615   1.4292   75.835   9.0223   70.720   12.958   80.647   12.570   22.621   2.1589   24.230   1.9478 -1.609207 2.907756 
1 1 1   10    8  -54 o   46.642   0.9436  293.140   11.822  284.452   15.749  304.352   17.891   45.881   1.2780   47.429   1.4044 -1.547596 1.898877 
1 1 1   10    8  -53 o   21.530   1.3317   62.861   7.6633   51.933   10.729   74.241   10.949   19.414   2.0906   23.325   1.7606 -3.911320 2.733192 
1 1 1   10    8  -52 o   34.719   0.9118  162.312   8.5031  163.753   12.743  161.156   11.416   34.817   1.3627   34.558   1.2299 0.2583580 1.835662 
1 1 1   10    8  -51 o   12.094   2.2035   20.532   6.8939   27.231   9.9293   14.298   9.5790   13.845   2.7669   10.172   3.1671 3.673442 4.205467 
1 1 1   10    8  -50 o   30.446   1.1154  124.958   9.1216  121.348   12.972  128.490   12.829   29.898   1.6214   30.780   1.5568 -0.8823490 2.247855 
1 1 1   10    8  -49 o   30.311   1.0963  123.824   8.9255  128.555   13.058  119.674   12.228   30.786   1.5845   29.710   1.5377 1.076588 2.207930 
1 1 1   10    8  -48 o   61.315   0.9606  506.168   15.819  509.531   19.459  499.613   27.166   61.479   1.1784   60.762   1.6646 0.7166290 2.039473 
1 1 1   10    8  -47 o   61.233   0.8274  504.409   13.608  517.566   19.279  491.344   19.211   61.975   1.1582   60.380   1.1846 1.595085 1.656701 
1 1 1   10    8  -46 o   11.390   2.1862   18.190   6.4451   28.178   9.9754   11.033   8.4442   14.137   2.7260   9.1340   2.9880 5.002790 4.044602 
1 1 1   10    8  -45 o   54.325   0.8730  396.964   12.739  396.481   19.729  397.309   16.683   54.231   1.3545   54.317   1.1435 -0.8644104E-01 1.772602 
1 1 1   10    8  -44 o   56.826   0.9035  434.346   13.790  439.094   19.314  429.408   19.697   57.093   1.2595   56.454   1.2990 0.6387787 1.809337 
1 1 1   10    8  -43 o   3.5314   1.7164  -9.0151   5.1545 -19.6374   7.3256   1.4010   7.2541   3.6512   1.8233   6.3051   2.6139 -2.653927 3.186929 
1 1 1   10    8  -42 o   47.682   0.7788  305.651   9.9745  307.738   14.023  303.513   14.191   47.821   1.0918   47.489   1.1125 0.3312378 1.558749 
1 1 1   10    8  -41 o   90.088   0.8977  1091.33   21.723  1096.62   30.697  1086.02   30.744   90.249   1.2664   89.810   1.2745 0.4389267 1.796677 
1 1 1   10    8  -40 o   44.922   0.7843  271.253   9.4626  278.272   13.310  264.079   13.456   45.481   1.0896   44.303   1.1308 1.177979 1.570293 
1 1 1   10    8  -39 o   30.406   1.2047  124.390   9.8386  105.697   12.299  157.601   16.395   27.957   1.6452   34.139   1.7942 -6.181837 2.434319 
1 1 1   10    8  -38 o  102.449   0.9576  1411.00   26.351  1397.97   36.986  1424.44   37.551  101.922   1.3511  102.881   1.3589 -0.9591064 1.916267 
1 1 1   10    8  -37 o   16.940   1.2062   38.789   5.4522   43.207   7.5394   33.947   7.8940   17.844   1.5897   15.757   1.9038 2.086881 2.480233 
1 1 1   10    8  -36 o   11.008   1.7947   16.740   5.1234   12.505   7.0838   21.385   7.4189   9.4919   2.6677   12.392   2.3141 -2.900169 3.531524 
1 1 1   10    8  -35 o   50.867   0.7784  347.654   10.635  364.841   16.975  336.550   13.645   52.092   1.2133   50.040   1.0152 2.051739 1.581994 
1 1 1   10    8  -34 o   78.217   0.8591  822.049   18.048  818.798   26.733  824.771   24.465   78.037   1.2754   78.329   1.1629 -0.2918854 1.725973 
1 1 1   10    8  -33 o  142.022   1.2023  2711.37   45.862  2752.61   65.328  2671.29   64.398  143.029   1.7005  140.900   1.7017 2.128632 2.405706 
1 1 1   10    8  -32 o   81.745   1.0038  897.944   22.039  861.877   34.328  923.233   28.745   80.048   1.5966   82.871   1.2914 -2.822739 2.053518 
1 1 1   10    8  -31 o  106.143   1.1165  1514.07   31.831  1534.64   47.695  1497.56   42.743  106.816   1.6624  105.532   1.5080 1.283806 2.244467 
1 1 1   10    8  -30 o  109.192   0.9827  1601.96   28.821  1619.64   37.764  1577.30   44.604  109.774   1.2808  108.310   1.5332 1.463577 1.997816 
1 1 1   10    8  -29 o  164.752   1.4147  3648.45   62.602  3608.40   84.086  3698.26   93.769  163.785   1.9114  165.783   2.1059 -1.998001 2.843967 
1 1 1   10    8  -28 o   85.338   0.8855  978.311   20.296  970.775   27.156  987.847   30.549   84.998   1.1895   85.736   1.3266 -0.7383652 1.781776 
1 1 1   10    8  -27 o   82.656   1.0743  917.874   23.849  946.289   36.862  897.416   31.278   83.904   1.6357   81.718   1.4250 2.186508 2.169392 
1 1 1   10    8  -26 o   72.974   0.8197  715.288   16.066  719.871   21.643  709.663   23.978   73.201   1.1008   72.677   1.2284 0.5240784 1.649431 
1 1 1   10    8  -25 o   44.761   0.8325  269.122   10.008  283.913   13.983  253.585   14.332   45.971   1.1324   43.445   1.2282 2.525974 1.670573 
1 1 1   10    8  -24 o  178.762   1.5163  4293.83   72.803  4321.44   98.782  4261.01  107.714  179.295   2.0512  178.019   2.2527 1.276123 3.046712 
1 1 1   10    8  -23 o  265.439   2.1775  9471.64  155.247  9545.25  211.093  9384.93  229.117  266.358   2.9506  264.064   3.2304 2.294312 4.375136 
1 1 1   10    8  -22 o   98.787   1.0000  1310.82   26.532  1296.23   33.910  1333.85   42.606   98.229   1.2853   99.636   1.5921 -1.406853 2.046113 
1 1 1   10    8  -21 o   43.434   0.7081  253.377   8.2612  257.155   11.131  248.743   12.327   43.756   0.9471   43.033   1.0665 0.7225037 1.426333 
1 1 1   10    8  -20 o  167.983   1.4319  3790.82   64.605  3806.95   87.656  3771.65   95.588  168.317   1.9389  167.525   2.1244 0.7921906 2.876200 
1 1 1   10    8  -19 o  191.177   1.6831  4910.38   86.424  4966.93  112.365  4828.49  135.232  192.248   2.1761  189.517   2.6567 2.730637 3.434147 
1 1 1   10    8  -18 o   84.622   1.0064  961.805   22.873  1021.07   37.879  927.795   28.696   87.180   1.6177   83.108   1.2855 4.071602 2.066276 
1 1 1   10    8  -17 o  110.001   1.1968  1625.31   35.359  1570.32   57.231  1659.25   44.968  108.107   1.9710  111.137   1.5064 -3.030449 2.480746 
1 1 1   10    8  -16 o  475.655   3.6659 30435.15  468.349 31085.77  671.613 29819.24  653.453  480.302   5.2061  470.427   5.1717 9.875763 7.338223 
1 1 1   10    8  -15 o  196.937   1.5764  5210.11   83.382  5223.87  118.060  5196.41  117.782  197.167   2.2293  196.649   2.2300 0.5188293 3.153190 
1 1 1   10    8  -14 o   34.576   0.8355  160.563   7.7588  148.086   10.931  173.231   11.014   33.204   1.2257   35.913   1.1419 -2.708981 1.675192 
1 1 1   10    8  -13 o  224.336   1.7766  6761.09  107.049  6688.36  150.181  6836.21  152.629  223.087   2.5064  225.538   2.5196 -2.451431 3.553904 
1 1 1   10    8  -12 o  235.302   2.0338  7439.00  128.535  7299.26  163.827  7662.75  207.305  233.046   2.6173  238.731   3.2330 -5.684143 4.159639 
1 1 1   10    8  -11 o   94.273   0.9545  1193.65   24.168  1198.81   31.202  1185.92   38.209   94.473   1.2297   93.960   1.5140 0.5132141 1.950475 
1 1 1   10    8  -10 o   58.328   0.7850  456.919   12.298  450.947   16.358  464.681   18.649   57.944   1.0511   58.818   1.1805 -0.8748245 1.580595 
1 1 1   10    8   -9 o  152.225   1.4477  3112.64   59.190  3031.00   87.273  3182.17   80.545  150.195   2.1634  153.902   1.9485 -3.706985 2.911533 
1 1 1   10    8   -8 o  162.253   1.6233  3536.41   70.742  3496.34   99.156  3577.94  100.958  161.311   2.2886  163.182   2.3034 -1.870819 3.247053 
1 1 1   10    8   -7 o   78.286   0.9484  823.138   19.943  825.214   28.098  821.031   28.310   78.381   1.3347   78.182   1.3482 0.1990662 1.897078 
1 1 1   10    8   -6 o  184.068   1.6214  4551.26   80.160  4506.32  125.930  4581.87  103.938  183.121   2.5603  184.670   2.0955 -1.548370 3.308534 
1 1 1   10    8   -5 o  153.230   1.3799  3153.77   56.793  3093.04   88.754  3195.87   73.905  151.727   2.1779  154.240   1.7840 -2.513077 2.815250 
1 1 1   10    8   -4 o  298.924   2.3287 12006.19  186.964 12115.53  265.976 11899.40  262.865  300.204   3.2986  297.516   3.2895 2.688904 4.658513 
1 1 1   10    8   -3 o   70.910   0.8148  675.319   15.518  674.742   22.034  675.887   21.860   70.878   1.1574   70.938   1.1473 -0.6015778E-01 1.629693 
1 1 1   10    8   -2 o  128.377   1.1377  2213.54   39.231  2258.81   53.762  2161.98   57.375  129.676   1.5436  126.864   1.6838 2.812439 2.284235 
1 1 1   10    8   -1 o  149.602   1.4263  3006.20   57.310  3059.03  100.461  2980.70   69.779  150.883   2.4789  148.960   1.7441 1.923553 3.030977 
1 1 1   10    8    0 f  323.079   2.7497 14027.26  238.606 14240.13  340.965 13822.97  334.022  325.409   3.9011  320.610   3.8789 4.799255 5.501304 
1 1 1   10    8    1 o  217.757   1.9930  6370.32  116.567  6456.92  203.761  6328.19  142.120  219.153   3.4616  217.016   2.4382 2.136505 4.234116 
1 1 1   10    8    2 o  138.776   1.2710  2586.75   47.377  2579.33   74.977  2591.68   61.127  138.561   2.0146  138.901   1.6385 -0.3398590 2.596769 
1 1 1   10    8    3 o   98.595   1.0328  1305.61   27.351  1308.39   41.306  1303.44   36.498   98.694   1.5582   98.509   1.3794 0.1844330 2.081079 
1 1 1   10    8    4 o  265.653   2.2787  9482.08  162.587  9460.38  229.676  9503.86  230.190  265.284   3.2234  265.893   3.2232 -0.6089172 4.558438 
1 1 1   10    8    5 o   56.837   0.6798  433.850   10.377  444.517   14.869  423.721   14.489   57.530   0.9623   56.168   0.9604 1.361828 1.359539 
1 1 1   10    8    6 o  120.711   1.0378  1957.06   33.649  2014.34   48.368  1903.33   46.842  122.459   1.4705  119.036   1.4651 3.422279 2.075817 
1 1 1   10    8    7 o  263.046   2.1535  9296.75  152.149  9438.71  227.700  9182.24  204.505  264.971   3.1994  261.370   2.9131 3.601440 4.326954 
1 1 1   10    8    8 o  126.274   1.1771  2141.67   39.922  2077.26   61.946  2187.42   52.210  124.349   1.8547  127.610   1.5233 -3.261703 2.400075 
1 1 1   10    8    9 o   96.542   1.0795  1251.85   27.992  1321.16   46.681  1212.93   34.978   99.169   1.7525   95.026   1.3704 4.142830 2.224744 
1 1 1   10    8   10 o   25.929   0.8377   90.295   5.8337   76.446   9.5871   98.438   7.3513   23.808   1.5070   27.072   1.0110 -3.264246 1.814717 
1 1 1   10    8   11 o   97.818   0.9319  1285.12   24.483  1307.52   36.482  1266.76   33.024   98.662   1.3767   97.113   1.2661 1.548653 1.870364 
1 1 1   10    8   12 o   21.363   0.8747   61.294   5.0191   64.611   6.4104   56.039   8.0685   21.933   1.0882   20.371   1.4849 1.561995 1.840918 
1 1 1   10    8   13 o   59.640   0.8022  477.714   12.851  480.345   17.281  474.461   19.220   59.802   1.0759   59.434   1.2040 0.3684006 1.614665 
1 1 1   10    8   14 o  175.723   1.4234  4147.83   67.183  4163.34   95.156  4132.42   94.868  176.030   2.0126  175.375   2.0140 0.6549683 2.847234 
1 1 1   10    8   15 o  247.137   1.9456  8206.04  129.148  8415.19  185.569  8009.58  179.851  250.208   2.7613  244.105   2.7431 6.102951 3.892215 
1 1 1   10    8   16 o  197.113   1.5784  5219.47   83.566  5263.12  118.775  5176.68  117.595  197.904   2.2345  196.273   2.2307 1.631744 3.157351 
1 1 1   10    8   17 o  198.768   1.5912  5307.63   84.951  5245.62  119.191  5371.66  121.110  197.571   2.2461  199.930   2.2553 -2.359009 3.182997 
1 1 1   10    8   18 o   53.351   0.7606  382.287   10.899  377.707   16.777  385.630   14.336   53.028   1.1779   53.583   0.9961 -0.5547562 1.542674 
1 1 1   10    8   19 o  272.546   2.1354  9982.39  156.320 10071.76  222.143  9894.72  220.014  273.671   3.0221  271.256   3.0198 2.415680 4.272281 
1 1 1   10    8   20 o  147.208   1.2808  2910.99   50.642  2952.32   69.105  2863.04   74.429  148.234   1.7357  145.968   1.8984 2.265396 2.572273 
1 1 1   10    8   21 o  152.928   1.3877  3141.81   57.000  3167.96   73.906  3103.42   89.547  153.546   1.7920  151.952   2.1941 1.593369 2.832912 
1 1 1   10    8   22 o  176.973   1.5013  4207.86   71.360  4254.12   97.229  4153.85  105.062  177.911   2.0347  175.788   2.2252 2.122818 3.015201 
1 1 1   10    8   23 o  179.103   1.5171  4310.02   72.981  4382.52  109.164  4251.42   98.137  180.551   2.2511  177.846   2.0545 2.705261 3.047637 
1 1 1   10    8   24 o  135.055   1.2571  2450.45   45.599  2514.88   59.697  2360.21   70.654  136.802   1.6247  132.509   1.9852 4.293579 2.565244 
1 1 1   10    8   25 o  170.837   1.5313  3921.86   70.262  3889.26  110.564  3943.94   90.999  170.047   2.4208  171.282   1.9780 -1.234787 3.126150 
1 1 1   10    8   26 o  159.139   1.3735  3402.97   58.709  3486.23   88.321  3337.06   78.583  161.019   2.0422  157.554   1.8570 3.465652 2.760230 
1 1 1   10    8   27 o  100.743   1.0717  1363.52   28.999  1364.32   39.111  1362.54   43.217  100.757   1.4452  100.683   1.5981 0.7396698E-01 2.154680 
1 1 1   10    8   28 o   71.076   0.8484  678.617   16.196  685.248   23.231  672.348   22.590   71.412   1.2112   70.737   1.1890 0.6746368 1.697269 
1 1 1   10    8   29 o   41.938   0.8027  236.270   9.0418  217.152   14.186  249.351   11.734   40.196   1.3139   43.080   1.0141 -2.883831 1.659785 
1 1 1   10    8   30 o   82.916   0.8442  923.622   18.801  951.171   29.212  904.143   24.564   84.123   1.2929   82.026   1.1149 2.097153 1.707222 
1 1 1   10    8   31 o  102.095   0.9866  1400.58   27.056  1408.21   40.110  1394.20   36.649  102.340   1.4592  101.839   1.3398 0.5007324 1.981020 
1 1 1   10    8   32 o   37.336   0.7915  187.282   7.9378  176.911   11.020  198.464   11.443   36.281   1.1309   38.428   1.1087 -2.147156 1.583697 
1 1 1   10    8   33 o   43.562   0.8978  254.988   10.505  249.027   16.642  258.938   13.545   43.032   1.4398   43.891   1.1490 -0.8589897 1.842084 
1 1 1   10    8   34 o   83.579   0.8422  938.604   18.906  953.196   26.514  923.512   26.966   84.206   1.1723   82.882   1.2113 1.324341 1.685710 
1 1 1   10    8   35 o   86.884   0.8602  1014.36   20.073  984.596   25.785  1060.14   31.981   85.582   1.1217   88.786   1.3411 -3.203644 1.748370 
1 1 1   10    8   36 o   39.350   0.7483  208.049   7.9088  211.994   10.143  201.929   12.632   39.715   0.9508   38.751   1.2137 0.9639931 1.541776 
1 1 1   10    8   37 o   63.313   0.7335  538.613   12.473  526.823   16.621  553.811   18.871   62.602   0.9885   64.179   1.0947 -1.576420 1.474971 
1 1 1   10    8   38 o   76.102   0.9108  778.511   18.617  801.137   24.222  745.845   29.103   77.177   1.1685   74.434   1.4557 2.742622 1.866670 
1 1 1   10    8   39 o   46.634   0.8968  292.364   11.233  289.941   14.984  295.473   16.974   46.421   1.2017   46.851   1.3489 -0.4294357 1.806535 
1 1 1   10    8   40 o   31.120   0.9880  130.242   8.2582  137.259   11.120  121.611   12.332   31.931   1.2966   30.002   1.5355 1.928743 2.009655 
1 1 1   10    8   41 o   16.125   1.3326   35.256   5.7197   34.721   7.8365   35.865   8.3674   15.928   1.8672   16.175   1.9664 -0.2475443 2.711669 
1 1 1   10    8   42 o   27.154   1.0532   99.209   7.6811   92.574   11.327  104.858   10.451   26.146   1.6209   27.861   1.4011 -1.714579 2.142508 
1 1 1   10    8   43 o   34.446   0.8639  159.559   7.9929  163.088   11.331  156.065   11.276   34.802   1.2122   34.042   1.2332 0.7591209 1.729288 
1 1 1   10    8   44 o   51.119   0.8000  351.371   10.984  356.375   15.578  346.424   15.489   51.450   1.1273   50.726   1.1368 0.7244759 1.600984 
1 1 1   10    8   45 o   9.8432   2.2816   13.674   5.9145   13.395   8.1489   13.984   8.5978   9.8192   2.8936   10.037   2.9761 -0.2173119 4.150862 
1 1 1   10    8   46 o   82.556   1.0204  917.464   22.626  916.560   38.654  917.935   27.906   82.326   1.7481   82.526   1.2590 -0.1996841 2.154250 
1 1 1   10    8   47 o   9.6605   2.4113   13.211   6.2370   10.966   9.1272   15.178   8.5427   9.2135   3.1091   10.379   2.9340 -1.165193 4.274944 
1 1 1   10    8   48 o   14.525   1.9111   29.097   7.2750   23.510   10.263   34.740   10.314   12.821   3.0285   15.760   2.5217 -2.938951 3.940889 
1 1 1   10    8   49 o   32.121   1.0467  139.007   9.0304  143.178   11.963  133.483   13.768   32.563   1.3678   31.362   1.6402 1.201065 2.135700 
1 1 1   10    8   50 o   47.527   0.8877  304.069   11.331  293.814   15.235  316.768   16.953   46.669   1.2154   48.442   1.3029 -1.772587 1.781777 
1 1 1   10    8   51 o   16.373   1.7345   36.732   7.5115   39.827   11.597   34.495   9.8588   16.849   2.6502   15.714   2.4129 1.134492 3.584134 
1 1 1   10    8   52 o   22.049   1.1908   65.771   7.0259   72.498   10.882   60.962   9.2004   23.054   1.7710   21.155   1.6318 1.898787 2.408130 
1 1 1   10    8   53 o   14.840   1.8393   30.353   7.1741   25.944   9.9571   35.112   10.345   13.477   2.8404   15.817   2.5197 -2.340399 3.796917 
1 1 1   10    8   54 o   33.859   1.1178  154.685   10.165  157.245   12.919  150.524   16.471   34.090   1.4109   33.214   1.8538 0.8761520 2.329619 
1 1 1   10    8   55 o   53.801   1.2062  391.205   17.430  404.594   26.056  380.361   23.450   54.511   1.7797   52.904   1.6503 1.606884 2.427064 
1 1 1   10    8   56 o   13.653   2.9000   27.020   10.306   13.955   14.445   40.568   14.709   10.590   3.8819   16.622   3.4091 -6.031842 5.166347 
1 1 1   10    8   57 o   17.944   2.0167   44.831   9.5516   51.653   13.807   38.570   13.227   18.992   2.7899   16.225   3.1488 2.766499 4.206970 
1 1 1   10    8   58 o   13.696   3.1984   27.991   11.553   21.210   16.724   34.180   15.977   12.094   4.2048   14.875   3.9373 -2.781593 5.760422 
1 1 1   10    8   59 o   7.5191   3.2241   1.2308   11.654 -23.6388   16.458   26.241   16.504   6.3906   3.0969   12.989   4.1717 -6.598101 5.195552 
1 1 1   10    9  -59 f   9.4602   3.5209   11.523   11.963  -0.9158   17.447   22.561   16.435   8.6115   3.8126   12.136   4.1712 -3.524824 5.651078 
1 1 1   10    9  -58 o   22.530   2.3216   71.737   13.847   76.729   19.051   66.146   20.162   22.827   3.1949   20.841   3.7392 1.986071 4.918230 
1 1 1   10    9  -57 o   9.2256   3.5339   9.5183   12.250   6.6670   17.453   12.287   17.198   9.7573   4.0505   10.570   4.1489 -0.8123503 5.798222 
1 1 1   10    9  -56 o   30.164   1.4888  123.778   12.062  109.108   17.484  137.102   16.662   27.966   2.3494   31.535   1.9772 -3.568796 3.070635 
1 1 1   10    9  -55 o   28.178   1.4591  108.036   11.005  109.805   14.506  105.637   16.892   28.275   1.9215   27.599   2.2997 0.6760998 2.996811 
1 1 1   10    9  -54 o   16.790   2.0587   39.077   9.0898   46.499   11.777   28.140   14.296   18.223   2.4698   13.834   3.7525 4.389088 4.492371 
1 1 1   10    9  -53 o   40.589   1.0101  222.076   11.012  219.290   17.021  224.081   14.441   40.225   1.5754   40.717   1.3204 -0.4920197 2.055605 
1 1 1   10    9  -52 o   51.067   0.8970  351.172   12.303  340.980   16.952  362.516   17.883   50.255   1.2559   51.812   1.2851 -1.556313 1.796849 
1 1 1   10    9  -51 o   34.715   0.9948  162.353   9.2755  167.002   13.742  158.462   12.571   35.145   1.4558   34.248   1.3666 0.8967628 1.996725 
1 1 1   10    9  -50 o   28.340   1.1431  108.307   8.7013  103.769   12.991  111.998   11.718   27.608   1.7611   28.734   1.5238 -1.125879 2.328849 
1 1 1   10    9  -49 o   38.904   0.9216  203.789   9.6296  201.422   13.238  206.448   14.034   38.631   1.2758   39.101   1.3363 -0.4695587 1.847525 
1 1 1   10    9  -48 o   40.455   0.9067  220.327   9.8519  218.727   13.357  222.235   14.590   40.267   1.2350   40.572   1.3389 -0.3056831 1.821475 
1 1 1   10    9  -47 f   24.017   1.1825   77.760   7.6282   78.281   10.028   77.045   11.751   24.013   1.5634   23.769   1.8554 0.2434998 2.426222 
1 1 1   10    9  -46 o   22.002   1.2430   65.469   7.3158   66.839   10.979   64.375   9.8111   22.137   1.8640   21.752   1.6926 0.3847237 2.517801 
1 1 1   10    9  -45 o   36.562   0.8663  179.828   8.5073  177.344   12.060  182.288   12.003   36.276   1.2377   36.781   1.2150 -0.5045433 1.734390 
1 1 1   10    9  -44 o   34.789   1.0099  162.884   9.4367  150.797   13.152  175.710   13.548   33.434   1.4645   36.098   1.3973 -2.663548 2.024214 
1 1 1   10    9  -43 o   47.810   0.7902  307.346   10.147  312.822   14.284  301.768   14.416   48.206   1.1032   47.344   1.1337 0.8624840 1.581880 
1 1 1   10    9  -42 o   77.709   0.9067  812.193   18.924  796.406   26.614  828.338   26.914   76.891   1.2887   78.419   1.2778 -1.528305 1.814775 
1 1 1   10    9  -41 o   26.896   0.9213   97.290   6.6552  102.861   9.2471   91.304   9.5858   27.638   1.2457   25.995   1.3778 1.642887 1.857438 
1 1 1   10    9  -40 f   34.111   0.8274  156.429   7.5806  158.506   10.524  154.189   10.929   34.319   1.1417   33.845   1.2023 0.4744377 1.657959 
1 1 1   10    9  -39 o   41.957   0.7853  236.622   8.8494  261.583   12.623  212.499   12.409   44.098   1.0658   39.739   1.1626 4.358246 1.577201 
1 1 1   10    9  -38 o  117.950   1.3003  1872.44   41.195  1889.01   51.947  1844.36   67.624  118.396   1.6335  116.839   2.1549 1.556435 2.704054 
1 1 1   10    9  -37 o   79.813   0.8366  856.158   17.935  875.527   25.393  836.877   25.334   80.680   1.1718   78.876   1.1958 1.803436 1.674251 
1 1 1   10    9  -36 o   43.528   0.7734  254.602   9.0417  273.701   12.349  232.530   13.275   45.121   1.0190   41.582   1.1886 3.539703 1.565588 
1 1 1   10    9  -35 o   44.720   0.7897  268.727   9.4858  263.301   13.396  274.184   13.434   44.254   1.1270   45.160   1.1075 -0.9061623 1.580131 
1 1 1   10    9  -34 o   64.541   0.8192  559.724   14.202  551.138   23.398  564.732   17.870   64.014   1.3609   64.820   1.0264 -0.8054733 1.704550 
1 1 1   10    9  -33 o  117.423   1.0866  1853.30   34.270  1812.59   45.719  1905.51   51.775  116.085   1.4663  119.002   1.6199 -2.917488 2.184958 
1 1 1   10    9  -32 o   24.937   0.8771   83.554   5.8748   79.919   7.6721   88.707   9.1345   24.383   1.1715   25.651   1.3304 -1.267830 1.772647 
1 1 1   10    9  -31 o   39.832   0.8521  213.167   9.1163  212.227   13.444  213.967   12.403   39.733   1.2598   39.899   1.1574 -0.1656418 1.710745 
1 1 1   10    9  -30 o   75.493   0.8678  765.714   17.596  785.492   24.665  745.218   25.109   76.447   1.2012   74.458   1.2555 1.988441 1.737638 
1 1 1   10    9  -29 o   90.630   0.8748  1103.51   21.295  1098.99   29.915  1108.15   30.319   90.426   1.2317   90.802   1.2432 -0.3755646 1.750009 
1 1 1   10    9  -28 o   36.434   0.7687  178.314   7.5226  176.627   10.834  179.884   10.453   36.255   1.1126   36.589   1.0636 -0.3336258 1.539222 
1 1 1   10    9  -27 o   43.063   0.8111  249.105   9.3816  267.247   11.775  217.568   15.525   44.601   0.9829   40.233   1.4366 4.367435 1.740720 
1 1 1   10    9  -26 o   40.089   0.8352  215.880   8.9931  232.894   11.321  186.779   14.806   41.636   1.0123   37.279   1.4787 4.357067 1.792011 
1 1 1   10    9  -25 o  101.259   0.9728  1377.40   26.458  1383.77   35.751  1369.68   39.339  101.481   1.3116  100.957   1.4508 0.5240402 1.955795 
1 1 1   10    9  -24 o   83.534   0.8682  937.294   19.479  930.516   26.133  945.767   29.220   83.224   1.1691   83.900   1.2967 -0.6755600 1.745886 
1 1 1   10    9  -23 o   9.4577   1.8139   12.428   4.4401   15.679   5.5070   6.3895   7.5058   10.626   2.0030   7.6788   2.8007 2.947117 3.443285 
1 1 1   10    9  -22 o  219.531   1.9142  6477.56  112.868  6443.35  144.999  6530.17  179.797  218.891   2.4663  220.283   3.0389 -1.391663 3.913723 
1 1 1   10    9  -21 o   93.898   1.0932  1184.36   27.570  1210.38   38.957  1158.26   39.023   94.913   1.5282   92.846   1.5648 2.067001 2.187216 
1 1 1   10    9  -20 o   80.510   0.9308  870.626   20.128  899.252   27.220  836.092   29.897   81.818   1.2387   78.889   1.4110 2.928986 1.877545 
1 1 1   10    9  -19 o  204.808   1.7101  5636.02   94.071  5684.67  127.911  5578.70  138.830  205.647   2.3158  203.702   2.5374 1.944611 3.435320 
1 1 1   10    9  -18 o   66.531   0.8584  594.516   15.339  584.703   20.262  607.690   23.476   65.977   1.1434   67.259   1.2995 -1.282349 1.730940 
1 1 1   10    9  -17 o  267.751   2.7489  9638.59  197.691  9409.09  257.337  9969.07  308.803  264.435   3.6232  272.095   4.2254 -7.659637 5.566121 
1 1 1   10    9  -16 o  178.569   1.6694  4283.94   80.070  4190.28  105.804  4409.47  122.492  176.579   2.2309  181.121   2.5180 -4.542160 3.364054 
1 1 1   10    9  -15 o  132.639   1.1753  2363.10   41.872  2395.08   56.997  2325.61   61.715  133.523   1.5893  131.568   1.7464 1.955292 2.361322 
1 1 1   10    9  -14 o   18.519   1.1705   46.248   5.7923   53.763   9.2358   41.376   7.4366   19.928   1.7430   17.476   1.6021 2.452023 2.367462 
1 1 1   10    9  -13 o  261.385   2.1421  9180.63  150.390  9208.52  203.892  9147.36  222.720  261.720   2.9005  260.822   3.1792 0.8981323 4.303533 
1 1 1   10    9  -12 o  199.384   1.7473  5340.77   93.572  5241.18  119.236  5500.42  150.970  197.493   2.2478  202.285   2.7787 -4.792587 3.574036 
1 1 1   10    9  -11 o   61.966   0.9290  515.716   15.462  506.735   20.367  527.932   23.754   61.422   1.2346   62.691   1.4107 -1.269737 1.874637 
1 1 1   10    9  -10 o  149.865   1.4309  3016.95   57.595  2989.10   70.082  3074.90  101.092  149.163   1.7492  151.262   2.4883 -2.097992 3.041607 
1 1 1   10    9   -9 o  238.287   1.8782  7628.45  120.208  7671.79  170.572  7585.70  169.434  238.914   2.6581  237.570   2.6553 1.344055 3.757158 
1 1 1   10    9   -8 o   85.838   0.8582  989.598   19.785  985.877   29.398  992.680   26.750   85.672   1.2776   85.969   1.1585 -0.2965012 1.724630 
1 1 1   10    9   -7 o  237.051   1.8690  7549.45  119.001  7555.37  168.385  7543.55  168.202  237.097   2.6441  236.912   2.6433 0.1854553 3.738810 
1 1 1   10    9   -6 o  249.535   1.9612  8365.84  131.445  8330.45  185.323  8401.68  186.464  248.953   2.7715  250.015   2.7768 -1.061691 3.923230 
1 1 1   10    9   -5 o  148.984   1.2868  2981.41   51.493  2992.51   69.914  2968.26   76.127  149.250   1.7441  148.639   1.9068 0.6110077 2.584130 
1 1 1   10    9   -4 o  143.562   1.3077  2768.36   50.423  2788.50   80.076  2755.12   64.907  144.063   2.0695  143.210   1.6874 0.8535767 2.670230 
1 1 1   10    9   -3 o  222.977   2.0373  6679.75  122.013  6630.83  182.266  6719.47  164.244  222.101   3.0554  223.602   2.7348 -1.500183 4.100515 
1 1 1   10    9   -2 o  308.596   2.7734 12798.89  229.877 12943.55  400.986 12728.08  280.557  310.098   4.8144  307.683   3.3949 2.415009 5.890955 
1 1 1   10    9   -1 o   86.267   1.0750  999.548   24.907  965.860   46.066  1013.47   29.608   84.789   2.0228   86.864   1.2691 -2.074997 2.387936 
1 1 1   10    9    0 o  315.250   2.6858 13356.14  227.415 13412.70  360.669 13318.82  293.000  315.748   4.2528  314.735   3.4660 1.013062 5.486312 
1 1 1   10    9    1 o  184.007   1.6218  4548.23   80.155  4591.36  127.472  4520.01  103.086  184.841   2.5676  183.419   2.0925 1.421860 3.312242 
1 1 1   10    9    2 o  346.856   3.1054 16172.44  289.304 15937.80  496.401 16293.13  356.017  344.005   5.3725  348.065   3.8082 -4.060181 6.585288 
1 1 1   10    9    3 o  218.438   2.1210  6410.83  124.443  6628.26  254.403  6342.44  142.678  221.960   4.2673  217.254   2.4451 4.706238 4.918179 
1 1 1   10    9    4 o  446.274   3.9748 26792.25  476.447 27278.45  723.232 26419.47  633.285  449.817   5.9862  442.857   5.3241 6.959473 8.011250 
1 1 1   10    9    5 o   91.730   1.0514  1130.16   25.905  1076.51   41.638  1164.04   33.089   89.517   1.7318   93.092   1.3234 -3.574387 2.179516 
1 1 1   10    9    6 o  122.191   1.0949  2005.37   35.935  1980.56   48.379  2035.91   53.672  121.426   1.4834  123.107   1.6232 -1.681931 2.198904 
1 1 1   10    9    7 o  210.596   1.6746  5957.96   94.721  5933.87  133.664  5982.27  134.248  210.137   2.3682  210.992   2.3689 -0.8551178 3.349664 
1 1 1   10    9    8 o  250.330   1.9675  8419.31  132.289  8352.62  186.137  8487.38  188.046  249.282   2.7800  251.284   2.7862 -2.002335 3.935902 
1 1 1   10    9    9 o  137.018   1.1496  2521.65   42.308  2501.84   59.547  2541.85   60.121  136.469   1.6246  137.555   1.6273 -1.086807 2.299389 
1 1 1   10    9   10 o  229.523   1.8143  7077.50  111.848  7035.38  157.437  7120.43  158.928  228.795   2.5619  230.174   2.5707 -1.378326 3.629321 
1 1 1   10    9   11 o  124.685   1.1670  2088.14   39.081  2052.31   49.979  2144.53   62.695  123.604   1.5054  126.342   1.8475 -2.738159 2.383226 
1 1 1   10    9   12 o   48.364   0.6702  314.143   8.7056  314.286   12.185  313.993   12.442   48.374   0.9379   48.351   0.9580 0.2260971E-01 1.340689 
1 1 1   10    9   13 o  184.698   1.4879  4582.55   73.814  4561.02  104.035  4604.37  104.747  184.239   2.1024  185.112   2.1068 -0.8733673 2.976293 
1 1 1   10    9   14 o   69.954   0.8182  657.237   15.374  683.436   24.547  640.330   19.720   71.330   1.2813   69.046   1.0633 2.283875 1.665030 
1 1 1   10    9   15 o  172.769   1.4674  4009.78   68.096  4111.49   93.467  3894.71   99.412  174.926   1.9893  170.243   2.1741 4.682678 2.946891 
1 1 1   10    9   16 o  177.512   1.5034  4233.06   71.677  4176.54   96.075  4304.02  107.642  176.300   2.0289  178.959   2.2394 -2.658981 3.021850 
1 1 1   10    9   17 o  242.233   2.3401  7886.44  152.251  8087.55  218.450  7696.48  212.312  245.201   3.3169  239.201   3.3046 6.000320 4.682161 
1 1 1   10    9   18 o  146.824   1.4120  2895.99   55.685  2922.42   68.486  2844.42   95.654  147.481   1.7289  145.465   2.4482 2.016403 2.997155 
1 1 1   10    9   19 o  134.352   1.1885  2424.67   42.889  2422.27   57.979  2427.57   63.739  134.271   1.6077  134.412   1.7655 -0.1406555 2.387800 
1 1 1   10    9   20 o  170.146   1.3879  3889.20   63.427  3906.74   89.818  3871.75   89.581  170.499   1.9613  169.733   1.9650 0.7655487 2.776318 
1 1 1   10    9   21 o  394.014   3.0500 20888.61  322.783 20938.08  457.119 20839.41  455.851  394.105   4.3184  393.176   4.3166 0.9290161 6.105897 
1 1 1   10    9   22 o  209.005   1.6691  5870.12   93.700  5895.19  132.789  5845.27  132.238  209.385   2.3611  208.497   2.3614 0.8883209 3.339326 
1 1 1   10    9   23 o   80.183   0.8164  863.568   17.582  881.790   24.942  845.570   24.788   81.018   1.1462   79.336   1.1633 1.681786 1.633098 
1 1 1   10    9   24 o  140.581   1.2363  2655.21   46.680  2639.03   68.728  2669.06   63.601  140.117   1.8262  140.921   1.6803 -0.8050537 2.481651 
1 1 1   10    9   25 o   46.435   0.7444  289.622   9.2838  285.790   12.242  294.807   14.242   46.124   0.9882   46.844   1.1320 -0.7197304 1.502622 
1 1 1   10    9   26 o  149.005   1.4333  2983.87   57.364  3024.43   77.653  2935.15   85.108  149.969   1.9278  147.716   2.1451 2.253571 2.884094 
1 1 1   10    9   27 o   97.647   0.9566  1280.97   25.089  1292.20   37.246  1271.65   33.946   98.052   1.4143   97.275   1.2992 0.7767258 1.920468 
1 1 1   10    9   28 o   34.253   0.8403  157.612   7.7309  154.055   12.225  159.983   9.9800   33.855   1.3444   34.506   1.0768 -0.6503983 1.722477 
1 1 1   10    9   29 o  100.154   0.9301  1347.69   25.021  1381.48   35.718  1315.13   35.062  101.379   1.3117   98.914   1.3197 2.465111 1.860735 
1 1 1   10    9   30 o   51.806   0.7697  360.560   10.710  364.775   15.996  357.134   14.420   52.098   1.1431   51.552   1.0414 0.5452461 1.546361 
1 1 1   10    9   31 o   27.687   1.2075  103.045   8.9795   0.0000   0.0000  103.045   8.9795  ?   ?    27.687   1.2075 0.000000 1.207469 
1 1 1   10    9   32 o   43.792   0.7654  257.647   9.0031  252.208   13.912  261.566   11.809   43.315   1.1958   44.118   0.9966 -0.8028336 1.556660 
1 1 1   10    9   33 o  102.255   0.9920  1405.23   27.245  1386.38   40.085  1421.42   37.144  101.523   1.4700  102.812   1.3451 -1.288422 1.992559 
1 1 1   10    9   34 o   48.880   0.7205  321.004   9.4591  307.453   12.028  342.971   15.314   47.831   0.9363   50.510   1.1288 -2.679264 1.466552 
1 1 1   10    9   35 o   68.836   0.7818  636.698   14.454  643.957   18.788  626.171   22.626   69.215   1.0106   68.237   1.2345 0.9777985 1.595412 
1 1 1   10    9   36 o   55.741   0.7462  417.497   11.171  408.325   14.289  431.914   17.915   55.115   0.9653   56.672   1.1770 -1.556820 1.522160 
1 1 1   10    9   37 o   46.950   0.7863  296.233   9.9150  305.841   13.352  284.421   14.804   47.692   1.0423   45.983   1.1987 1.709526 1.588459 
1 1 1   10    9   38 o   9.2099   2.5267   11.845   6.4389   5.3008   10.323   16.012   8.2375   8.1751   3.2127   10.675   2.8279 -2.500220 4.279992 
1 1 1   10    9   39 o   25.708   0.9771   88.878   6.7466   95.809   9.0113   80.039   10.177   26.679   1.2576   24.320   1.5663 2.359484 2.008666 
1 1 1   10    9   40 f   76.868   0.8414  794.405   17.372  807.837   24.549  780.933   24.586   77.472   1.1798   76.168   1.2018 1.304169 1.684098 
1 1 1   10    9   41 o   33.871   0.8984  154.288   8.1736  147.788   10.506  164.257   13.011   33.133   1.1805   34.915   1.3874 -1.781395 1.821654 
1 1 1   10    9   42 o   23.441   1.1389   73.968   7.1703   83.023   9.4274   61.542   11.044   24.777   1.4226   21.244   1.9575 3.533333 2.419835 
1 1 1   10    9   43 o   49.562   0.7978  330.292   10.621  331.028   14.963  329.545   15.078   49.587   1.1234   49.474   1.1347 0.1124420 1.596762 
1 1 1   10    9   44 o   34.297   0.9893  158.296   9.1129  153.978   14.795  160.935   11.568   33.767   1.6313   34.561   1.2461 -0.7943726 2.052814 
1 1 1   10    9   45 o   48.114   0.8366  311.379   10.811  328.100   15.832  296.769   14.799   49.348   1.1945   46.935   1.1739 2.412643 1.674777 
1 1 1   10    9   46 o   27.248   1.0469   99.983   7.6622  100.467   10.604   99.454   11.084   27.241   1.4545   27.092   1.5295 0.1496143 2.110684 
1 1 1   10    9   47 f   23.444   1.3156   74.391   8.2505   65.938   11.035   85.105   12.424   21.972   1.8883   24.987   1.8646 -3.014750 2.653735 
1 1 1   10    9   48 o   61.526   0.9298  509.673   15.366  505.697   21.424  513.886   22.051   61.211   1.3031   61.698   1.3307 -0.4870110 1.862455 
1 1 1   10    9   49 o   10.429   2.4130   15.449   6.6250   16.018   9.6533   14.942   9.1087   10.665   3.1512   10.318   3.0641 0.3474302 4.395312 
1 1 1   10    9   50 o   33.014   1.0045  146.837   8.9069  158.738   12.712  135.358   12.484   34.277   1.3807   31.640   1.4690 2.637226 2.016030 
1 1 1   10    9   51 o   24.536   1.1920   81.217   7.8558   84.134   11.028   78.212   11.193   24.866   1.6607   23.953   1.7520 0.9130058 2.414003 
1 1 1   10    9   52 o   24.543   1.2848   81.562   8.4398   86.034   11.378   76.093   12.584   25.134   1.6954   23.562   2.0076 1.571686 2.627705 
1 1 1   10    9   53 o   34.551   1.0228  160.936   9.4921  154.475   13.040  168.218   13.844   33.787   1.4369   35.253   1.4621 -1.466209 2.049968 
1 1 1   10    9   54 o   17.971   2.2412   44.925   10.583   44.832   14.751   45.022   15.192   17.644   3.2317   17.649   3.3268 -0.5605698E-02 4.638106 
1 1 1   10    9   55 o   5.8350   2.6291  -3.9172   8.6906  -7.1462   13.332  -1.5316   11.460   7.0258   3.2015   7.1666   3.1342 -0.1407852 4.480263 
1 1 1   10    9   56 o   7.0284   2.9738   1.2751   9.6853   2.4006   12.629  -0.3320   15.091   8.0791   3.4058   8.3284   3.6203 -0.2493229 4.970501 
1 1 1   10    9   57 o   7.4474   3.1426   1.9695   10.769   4.6058   16.762   0.1164   14.053   9.3274   3.9274   8.0671   3.5001 1.260214 5.260728 
1 1 1   10    9   58 o   8.8072   3.4552   8.0481   11.921   9.8046   17.059   6.3715   16.666   10.058   4.0699   9.4757   3.9479 0.5819759 5.670044 
1 1 1   10    9   59 f   13.040   3.4580   26.247   12.309   24.007   18.549   28.009   16.453   12.498   4.4221   13.267   4.1540 -0.7699194 6.067127 
1 1 1   10   10    0 o  402.377   4.3963 21767.92  475.131 21825.61  673.290 21710.69  670.591  402.683   6.2251  401.623   6.2165 1.060272 8.797563 
1 1 1   10   10    1 o  205.353   1.6361  5664.98   90.242  5730.35  128.517  5601.41  126.744  206.502   2.3171  204.166   2.3113 2.336136 3.272767 
1 1 1   10   10    2 o  171.602   1.3923  3955.55   64.174  3960.62   90.887  3950.50   90.625  171.693   1.9709  171.473   1.9677 0.2194366 2.784997 
1 1 1   10   10    3 o  250.674   2.0582  8443.00  138.575  8572.14  207.624  8339.25  186.089  252.508   3.0613  249.079   2.7816 3.429901 4.136297 
1 1 1   10   10    4 f  199.675   1.7480  5356.31   93.748  5338.55  148.040  5368.19  121.131  199.290   2.7657  199.873   2.2564 -0.5825195 3.569331 
1 1 1   10   10    5 o  151.928   1.3729  3100.50   56.022  3148.45   80.068  3054.50   78.412  153.081   1.9474  150.780   1.9362 2.300873 2.746101 
1 1 1   10   10    6 o  183.061   1.5412  4501.72   75.778  4440.72  111.460  4554.15  103.333  181.786   2.2828  184.102   2.0897 -2.316345 3.094831 
1 1 1   10   10    7 o  249.783   2.0517  8383.18  137.648  8561.13  188.966  8182.03  200.908  252.366   2.7878  246.694   3.0321 5.672104 4.118935 
1 1 1   10   10    8 o   84.992   0.8563  970.180   19.548  996.231   29.368  949.456   26.194   86.120   1.2696   84.076   1.1600 2.044678 1.719734 
1 1 1   10   10    9 o  183.861   1.6218  4541.36   80.090  4472.41  102.527  4649.29  128.279  182.440   2.0923  185.988   2.5679 -3.547134 3.312385 
1 1 1   10   10   10 o  194.466   1.7062  5080.56   89.119  5104.48  115.441  5045.29  140.205  194.899   2.2053  193.736   2.6944 1.162888 3.481786 
1 1 1   10   10   11 o  188.665   1.5169  4781.62   76.869  4680.33  107.233  4888.69  110.248  186.628   2.1392  190.736   2.1520 -4.108353 3.034387 
1 1 1   10   10   12 o   84.233   0.8992  952.951   20.343  996.187   29.261  912.505   28.301   86.118   1.2651   82.421   1.2784 3.696594 1.798533 
1 1 1   10   10   13 o  249.153   2.0480  8341.59  137.054  8284.20  184.602  8412.07  204.582  248.234   2.7687  250.114   3.0453 -1.880310 4.115835 
1 1 1   10   10   14 o  207.107   1.9084  5763.47  106.157  5698.69  129.024  5899.21  186.772  205.913   2.3329  209.419   3.3205 -3.506088 4.058099 
1 1 1   10   10   15 o  229.477   2.3779  7078.15  146.565  7080.80  193.635  7074.58  224.273  229.446   3.1420  229.286   3.6417 0.1605072 4.809842 
1 1 1   10   10   16 o  160.078   1.6115  3442.76   69.288  3496.86   98.572  3389.93   97.414  161.296   2.2753  158.811   2.2838 2.485641 3.223750 
1 1 1   10   10   17 o  128.973   1.1524  2234.39   39.921  2237.25   53.925  2230.92   59.382  129.043   1.5558  128.855   1.7158 0.1884308 2.316164 
1 1 1   10   10   18 o  120.250   1.0929  1942.37   35.297  1979.83   48.147  1898.84   51.900  121.393   1.4767  118.879   1.6255 2.514229 2.196049 
1 1 1   10   10   19 o   61.409   0.7645  506.495   12.610  530.438   17.207  478.718   18.534   62.841   1.0195   59.697   1.1559 3.144016 1.541232 
1 1 1   10   10   20 o  152.730   1.3227  3133.88   54.261  3182.90   73.995  3076.85   79.806  153.895   1.7901  151.299   1.9639 2.596466 2.657309 
1 1 1   10   10   21 o  104.858   0.9941  1476.96   27.997  1455.21   37.467  1504.46   42.128  104.073   1.3403  105.814   1.4823 -1.740997 1.998449 
1 1 1   10   10   22 o   21.496   0.9449   62.071   5.4554   70.567   6.8867   47.758   8.9388   22.919   1.1187   18.764   1.7956 4.155130 2.115556 
1 1 1   10   10   23 o   70.882   0.7685  674.860   14.631  675.692   20.539  674.002   20.849   70.920   1.0782   70.831   1.0959 0.8915710E-01 1.537386 
1 1 1   10   10   24 o  101.170   0.9316  1374.97   25.316  1382.57   35.784  1367.35   35.820  101.435   1.3134  100.874   1.3221 0.5602493 1.863578 
1 1 1   10   10   25 o  115.069   1.2349  1779.24   38.168  1750.00   47.906  1830.06   63.156  114.100   1.5632  116.644   2.0158 -2.544495 2.550913 
1 1 1   10   10   26 o   51.273   0.7517  353.145   10.352  366.852   13.912  336.140   15.495   52.254   0.9913   50.015   1.1535 2.238876 1.520894 
1 1 1   10   10   27 o   48.275   0.7132  313.054   9.2481  303.164   12.817  323.793   13.357   47.501   1.0046   49.090   1.0130 -1.589306 1.426702 
1 1 1   10   10   28 o  101.136   0.9346  1374.30   25.386  1392.31   36.012  1356.50   35.793  101.773   1.3174  100.455   1.3266 1.317909 1.869591 
1 1 1   10   10   29 o   45.374   0.8336  276.605   10.159  256.706   16.852  287.966   12.733   43.694   1.4359   46.292   1.0241 -2.598019 1.763703 
1 1 1   10   10   30 o  124.146   1.3203  2072.15   44.026  2029.56   85.753  2087.39   51.303  122.662   2.6028  124.577   1.5332 -1.914848 3.020863 
1 1 1   10   10   31 o  105.629   0.9663  1499.38   27.416  1511.45   38.820  1487.38   38.723  106.019   1.3633  105.171   1.3708 0.8480301 1.933304 
1 1 1   10   10   32 o   77.557   0.7766  808.177   16.178  780.164   21.515  844.617   24.539   76.187   1.0514   79.265   1.1526 -3.077896 1.560131 
1 1 1   10   10   33 o   47.943   0.7769  308.833   10.004  311.437   14.319  306.350   13.982   48.132   1.1076   47.738   1.0905 0.3939705 1.554364 
1 1 1   10   10   34 o   43.610   0.8424  255.579   9.8679  271.290   13.521  237.676   14.434   44.920   1.1207   42.038   1.2783 2.882153 1.700043 
1 1 1   10   10   35 o   26.095   0.8693   91.516   6.0928   92.640   7.3957   89.140   10.749   26.250   1.0490   25.684   1.5656 0.5656433 1.884528 
1 1 1   10   10   36 o   48.957   0.7503  322.085   9.8655  321.822   13.687  322.368   14.233   48.922   1.0416   48.961   1.0823 -0.3907013E-01 1.502122 
1 1 1   10   10   37 o   31.838   1.0356  136.325   8.8558  140.844   10.616  125.982   16.060   32.353   1.2216   30.488   1.9718 1.865026 2.319534 
1 1 1   10   10   38 o   44.059   0.7686  260.923   9.0955  259.306   12.536  262.721   13.217   43.905   1.0631   44.190   1.1135 -0.2845917 1.539513 
1 1 1   10   10   39 o   16.545   1.2670   37.070   5.5874   38.239   7.6904   35.764   8.1316   16.745   1.7351   16.161   1.9103 0.5842056 2.580693 
1 1 1   10   10   40 o   53.427   0.7699  383.734   11.047  370.527   15.260  398.277   16.014   52.473   1.0828   54.401   1.0960 -1.928043 1.540632 
1 1 1   10   10   41 o   14.040   1.5245   26.898   5.6566   29.707   7.8800   23.912   8.1250   14.676   2.0554   13.073   2.4024 1.602805 3.161718 
1 1 1   10   10   42 o   48.015   0.7837  309.992   10.108  303.906   14.126  316.377   14.469   47.513   1.1069   48.478   1.1112 -0.9646187 1.568442 
1 1 1   10   10   43 o   23.308   1.1246   73.156   7.0406   69.964   10.542   75.726   9.4598   22.686   1.7434   23.643   1.4974 -0.9570007 2.298143 
1 1 1   10   10   44 o   10.195   2.3653   14.693   6.3515   20.821   8.0055   4.2840   10.434   12.143   2.5364   7.9583   3.1961 4.184530 4.080235 
1 1 1   10   10   45 o   44.389   0.8298  265.075   9.8936  268.640   13.977  261.495   14.007   44.650   1.1654   44.049   1.1839 0.6002045 1.661279 
1 1 1   10   10   46 o   31.560   1.0737  134.193   9.1020  125.460   12.671  143.504   13.083   30.424   1.5558   32.589   1.4947 -2.164297 2.157468 
1 1 1   10   10   47 o   13.546   1.8200   25.317   6.4544   27.743   8.6311   22.240   9.7216   14.073   2.3674   12.466   2.9495 1.607146 3.782043 
1 1 1   10   10   48 o   42.689   0.8847  245.334   10.144  260.492   13.910  228.114   14.825   43.946   1.1784   41.098   1.3430 2.848286 1.786719 
1 1 1   10   10   49 o   18.508   1.4487   46.590   7.1439   47.688   9.8268   45.358   10.404   18.623   1.9957   18.115   2.1822 0.5075760 2.957166 
1 1 1   10   10   50 o   8.1252   2.6230   8.8412   6.5186   3.9946   9.2483   13.626   9.1894   7.5114   3.0117   9.9351   3.1034 -2.423692 4.324489 
1 1 1   10   10   51 o   36.853   0.9959  183.006   9.8582  177.226   14.642  187.800   13.333   36.189   1.5063   37.284   1.3314 -1.094944 2.010422 
1 1 1   10   10   52 o   14.326   2.0353   28.509   7.6114   29.747   11.329   27.491   10.276   14.393   3.0266   13.865   2.8546 0.5275459 4.160378 
1 1 1   10   10   53 o   29.677   1.1876  118.965   9.4666  128.891   13.210  108.486   13.573   30.778   1.6036   28.180   1.8027 2.597857 2.412689 
1 1 1   10   10   54 o   20.721   1.6091   58.713   8.8856   67.447   12.669   50.259   12.465   22.066   2.1656   18.911   2.5166 3.155045 3.320082 
1 1 1   10   10   55 o   28.190   1.3990  107.898   10.593  102.106   15.303  113.226   14.677   27.157   2.1147   28.681   1.9163 -1.523407 2.853768 
1 1 1   10   10   56 o   44.014   1.5701  264.409   18.561  261.310   26.672  267.319   25.847   43.304   2.3014   43.924   2.1909 -0.6193695 3.177445 
1 1 1   10   10   57 o   7.6430   3.2411   2.0275   11.546  -1.9331   16.507   5.8207   16.155   8.3737   3.7079   9.3146   3.8843 -0.9408445 5.369905 
1 1 1   10   10   58 o   9.8251   3.5565   13.050   12.070   24.883   17.178   1.5098   16.964   12.657   4.2655   8.8169   3.8355 3.839935 5.736278 
1 1 1   11    0  -62 o   22.631   5.3203   94.010   28.095   94.010   28.095   94.010   28.095   22.631   5.3203   22.631   5.3203 0.000000 0.000000 
1 1 1   11    0  -61 o   9.0946   4.4871   19.033   13.131   19.033   13.131   19.033   13.131   9.0946   4.4871   9.0946   4.4871 -0.000000 0.000000 
1 1 1   11    0  -60 o   15.414   2.7661   36.215   10.354   36.215   10.354   36.215   10.354   15.414   2.7661   15.414   2.7661 0.000000 0.000000 
1 1 1   11    0  -59 o   21.029   2.0486   62.425   11.318   62.425   11.318   62.425   11.318   21.029   2.0486   21.029   2.0486 0.000000 0.000000 
1 1 1   11    0  -58 o   6.3932   3.7344   7.4462   10.674   7.4462   10.674   7.4462   10.674   6.3932   3.7344   6.3932   3.7344 -0.000000 0.000000 
1 1 1   11    0  -57 o   24.953   1.7883   85.901   11.844   85.901   11.844   85.901   11.844   24.953   1.7883   24.953   1.7883 -0.000000 0.000000 
1 1 1   11    0  -56 o   55.913   1.2423  422.587   18.635  422.587   18.635  422.587   18.635   55.913   1.2423   55.913   1.2423 0.000000 0.000000 
1 1 1   11    0  -55 o   58.412   1.3681  461.472   21.438  461.472   21.438  461.472   21.438   58.412   1.3681   58.412   1.3681 -0.000000 0.000000 
1 1 1   11    0  -54 o   25.211   1.7204   87.222   11.525   87.222   11.525   87.222   11.525   25.211   1.7204   25.211   1.7204 0.000000 0.000000 
1 1 1   11    0  -53 o   8.3523   3.8105   14.037   9.2897   14.037   9.2897   14.037   9.2897   8.3523   3.8105   8.3523   3.8105 0.000000 0.000000 
1 1 1   11    0  -52 o   5.3997   3.2484   4.1708   8.5254   4.1708   8.5254   4.1708   8.5254   5.3997   3.2484   5.3997   3.2484 0.000000 0.000000 
1 1 1   11    0  -51 o   30.900   1.3673  129.518   11.297  129.518   11.297  129.518   11.297   30.900   1.3673   30.900   1.3673 0.000000 0.000000 
1 1 1   11    0  -50 o   9.5905   3.5589   16.843   8.5157   16.843   8.5157   16.843   8.5157   9.5905   3.5589   9.5905   3.5589 -0.000000 0.000000 
1 1 1   11    0  -49 o   19.657   1.9430   53.730   10.028   53.730   10.028   53.730   10.028   19.657   1.9430   19.657   1.9430 0.000000 0.000000 
1 1 1   11    0  -48 o   43.281   1.1617  252.652   13.483  252.652   13.483  252.652   13.483   43.281   1.1617   43.281   1.1617 0.000000 0.000000 
1 1 1   11    0  -47 o   10.013   3.5257   17.872   8.6069   17.872   8.6069   17.872   8.6069   10.013   3.5257   10.013   3.5257 -0.000000 0.000000 
1 1 1   11    0  -46 o   67.363   1.4636  611.963   26.452  611.963   26.452  611.963   26.452   67.363   1.4636   67.363   1.4636 -0.000000 0.000000 
1 1 1   11    0  -45 o   29.727   1.2776  119.563   10.158  119.563   10.158  119.563   10.158   29.727   1.2776   29.727   1.2776 0.000000 0.000000 
1 1 1   11    0  -44 o   62.242   1.2565  521.780   20.986  521.780   20.986  521.780   20.986   62.242   1.2565   62.242   1.2565 -0.000000 0.000000 
1 1 1   11    0  -43 o   4.7465   3.0071   1.1176   8.2726   1.1176   8.2726   1.1176   8.2726   4.7465   3.0071   4.7465   3.0071 0.000000 0.000000 
1 1 1   11    0  -42 o   79.771   1.1925  856.115   25.536  856.115   25.536  856.115   25.536   79.771   1.1925   79.771   1.1925 0.000000 0.000000 
1 1 1   11    0  -41 o   76.492   1.1791  787.061   24.212  787.061   24.212  787.061   24.212   76.492   1.1791   76.492   1.1791 0.000000 0.000000 
1 1 1   11    0  -40 o  100.403   1.3381  1355.93   36.070  1355.93   36.070  1355.93   36.070  100.403   1.3381  100.403   1.3381 0.000000 0.000000 
1 1 1   11    0  -39 o  110.333   1.5535  1637.77   46.016  1637.77   46.016  1637.77   46.016  110.333   1.5535  110.333   1.5535 -0.000000 0.000000 
1 1 1   11    0  -38 o   72.300   1.6063  703.841   31.158  703.841   31.158  703.841   31.158   72.300   1.6063   72.300   1.6063 -0.000000 0.000000 
1 1 1   11    0  -37 o   18.376   2.0641   47.114   9.8575   47.114   9.8575   47.114   9.8575   18.376   2.0641   18.376   2.0641 -0.000000 0.000000 
1 1 1   11    0  -36 o   96.644   1.2995  1255.77   33.718  1255.77   33.718  1255.77   33.718   96.644   1.2995   96.644   1.2995 0.000000 0.000000 
1 1 1   11    0  -35 o   98.791   1.4461  1312.37   38.351  1312.37   38.351  1312.37   38.351   98.791   1.4461   98.791   1.4461 0.000000 0.000000 
1 1 1   11    0  -34 o   67.810   1.5056  618.807   27.391  618.807   27.391  618.807   27.391   67.810   1.5056   67.810   1.5056 0.000000 0.000000 
1 1 1   11    0  -33 o   30.706   1.2671  127.312   10.409  127.312   10.409  127.312   10.409   30.706   1.2671   30.706   1.2671 -0.000000 0.000000 
1 1 1   11    0  -32 o  104.547   1.3524  1469.10   37.961  1469.10   37.961  1469.10   37.961  104.547   1.3524  104.547   1.3524 0.000000 0.000000 
1 1 1   11    0  -31 o  115.623   1.5903  1797.12   49.365  1797.12   49.365  1797.12   49.365  115.623   1.5903  115.623   1.5903 0.000000 0.000000 
1 1 1   11    0  -30 o  123.636   1.5181  2054.39   50.396  2054.39   50.396  2054.39   50.396  123.636   1.5181  123.636   1.5181 -0.000000 0.000000 
1 1 1   11    0  -29 o   73.092   1.2153  718.195   23.843  718.195   23.843  718.195   23.843   73.092   1.2153   73.092   1.2153 -0.000000 0.000000 
1 1 1   11    0  -28 o   72.938   1.3629  715.331   26.678  715.331   26.678  715.331   26.678   72.938   1.3629   72.938   1.3629 0.000000 0.000000 
1 1 1   11    0  -27 o   60.270   1.1447  488.407   18.516  488.407   18.516  488.407   18.516   60.270   1.1447   60.270   1.1447 -0.000000 0.000000 
1 1 1   11    0  -26 o   36.073   1.0719  175.234   10.364  175.234   10.364  175.234   10.364   36.073   1.0719   36.073   1.0719 -0.000000 0.000000 
1 1 1   11    0  -25 o  126.743   1.8762  2159.27   63.837  2159.27   63.837  2159.27   63.837  126.743   1.8762  126.743   1.8762 -0.000000 0.000000 
1 1 1   11    0  -24 o   49.546   1.1730  330.258   15.591  330.258   15.591  330.258   15.591   49.546   1.1730   49.546   1.1730 -0.000000 0.000000 
1 1 1   11    0  -23 o  136.566   1.6290  2506.11   59.733  2506.11   59.733  2506.11   59.733  136.566   1.6290  136.566   1.6290 -0.000000 0.000000 
1 1 1   11    0  -22 o  130.754   1.5700  2297.32   55.120  2297.32   55.120  2297.32   55.120  130.754   1.5700  130.754   1.5700 0.000000 0.000000 
1 1 1   11    0  -21 o   31.181   0.9540  130.946   7.9726  130.946   7.9726  130.946   7.9726   31.181   0.9540   31.181   0.9540 0.000000 0.000000 
1 1 1   11    0  -20 o  349.806   3.8386 16451.61  360.557 16451.61  360.557 16451.61  360.557  349.806   3.8386  349.806   3.8386 0.000000 0.000000 
1 1 1   11    0  -19 o  108.324   1.6513  1577.14   48.020  1577.14   48.020  1577.14   48.020  108.324   1.6513  108.324   1.6513 -0.000000 0.000000 
1 1 1   11    0  -18 o  359.067   5.5760 17351.99  537.468 17351.99  537.468 17351.99  537.468  359.067   5.5760  359.067   5.5760 0.000000 0.000000 
1 1 1   11    0  -17 o  199.700   2.2608  5358.91  121.231  5358.91  121.231  5358.91  121.231  199.700   2.2608  199.700   2.2608 -0.000000 0.000000 
1 1 1   11    0  -16 o  267.551   3.6365  9623.33  261.219  9623.33  261.219  9623.33  261.219  267.551   3.6365  267.551   3.6365 0.000000 0.000000 
1 1 1   11    0  -15 o  108.957   2.3666  1596.84   69.184  1596.84   69.184  1596.84   69.184  108.957   2.3666  108.957   2.3666 -0.000000 0.000000 
1 1 1   11    0  -14 o  434.431   5.8088 25382.55  677.527 25382.55  677.527 25382.55  677.527  434.431   5.8088  434.431   5.8088 -0.000000 0.000000 
1 1 1   11    0  -13 o  593.313   7.9034 47369.59  1258.97 47369.59  1258.97 47369.59  1258.97  593.313   7.9034  593.313   7.9034 0.000000 0.000000 
1 1 1   11    0  -12 o  288.074   3.8983 11154.29  301.504 11154.29  301.504 11154.29  301.504  288.074   3.8983  288.074   3.8983 0.000000 0.000000 
1 1 1   11    0  -11 o  1136.52   15.115 174264.30  4612.07 174264.30  4612.07 174264.30  4612.07  1136.52   15.115  1136.52   15.115 -0.000000 0.000000 
1 1 1   11    0  -10 o  482.248   6.4344 31269.52  833.105 31269.52  833.105 31269.52  833.105  482.248   6.4344  482.248   6.4344 0.000000 0.000000 
1 1 1   11    0   -9 o  272.249   3.6917  9961.41  269.838  9961.41  269.838  9961.41  269.838  272.249   3.6917  272.249   3.6917 0.000000 0.000000 
1 1 1   11    0   -8 o   72.149   1.2714  699.742   24.620  699.742   24.620  699.742   24.620   72.149   1.2714   72.149   1.2714 0.000000 0.000000 
1 1 1   11    0   -7 o   80.514   1.5467  871.569   33.420  871.569   33.420  871.569   33.420   80.514   1.5467   80.514   1.5467 0.000000 0.000000 
1 1 1   11    0   -6 o  356.416   3.9029 17069.21  373.524 17069.21  373.524 17069.21  373.524  356.416   3.9029  356.416   3.9029 -0.000000 0.000000 
1 1 1   11    0   -5 o  222.145   3.5143  6633.23  209.565  6633.23  209.565  6633.23  209.565  222.145   3.5143  222.145   3.5143 0.000000 0.000000 
1 1 1   11    0   -4 o  443.569   6.8453 26456.55  815.101 26456.55  815.101 26456.55  815.101  443.569   6.8453  443.569   6.8453 -0.000000 0.000000 
1 1 1   11    0   -3 o  214.819   3.4061  6202.90  196.418  6202.90  196.418  6202.90  196.418  214.819   3.4061  214.819   3.4061 -0.000000 0.000000 
1 1 1   11    0   -2 o  515.617   6.1436 35734.60  850.554 35734.60  850.554 35734.60  850.554  515.617   6.1436  515.617   6.1436 -0.000000 0.000000 
1 1 1   11    0   -1 o  541.970   5.8893 39476.49  857.071 39476.49  857.071 39476.49  857.071  541.970   5.8893  541.970   5.8893 0.000000 0.000000 
1 1 1   11    0    0 o  846.546   9.1720 96367.91  2084.93 96367.91  2084.93 96367.91  2084.93  846.546   9.1720  846.546   9.1720 -0.000000 0.000000 
1 1 1   11    0    1 o  201.055   2.7740  5432.25  149.738  5432.25  149.738  5432.25  149.738  201.055   2.7740  201.055   2.7740 0.000000 0.000000 
1 1 1   11    0    2 o  277.043   3.3518 10313.41  249.332 10313.41  249.332 10313.41  249.332  277.043   3.3518  277.043   3.3518 0.000000 0.000000 
1 1 1   11    0    3 o   86.985   1.4079  1016.96   32.873  1016.96   32.873  1016.96   32.873   86.985   1.4079   86.985   1.4079 -0.000000 0.000000 
1 1 1   11    0    4 o  337.060   3.6961 15265.24  334.519 15265.24  334.519 15265.24  334.519  337.060   3.6961  337.060   3.6961 -0.000000 0.000000 
1 1 1   11    0    5 o  298.221   3.2848 11949.58  263.041 11949.58  263.041 11949.58  263.041  298.221   3.2848  298.221   3.2848 -0.000000 0.000000 
1 1 1   11    0    6 o  138.139   1.7823  2564.06   66.103  2564.06   66.103  2564.06   66.103  138.139   1.7823  138.139   1.7823 0.000000 0.000000 
1 1 1   11    0    7 o  628.537   6.8208 53105.14  1151.18 53105.14  1151.18 53105.14  1151.18  628.537   6.8208  628.537   6.8208 -0.000000 0.000000 
1 1 1   11    0    8 o  273.318   3.6988 10039.64  271.421 10039.64  271.421 10039.64  271.421  273.318   3.6988  273.318   3.6988 0.000000 0.000000 
1 1 1   11    0    9 o  329.024   3.9573 14547.98  349.600 14547.98  349.600 14547.98  349.600  329.024   3.9573  329.024   3.9573 -0.000000 0.000000 
1 1 1   11    0   10 o  575.349   6.2501 44498.73  965.597 44498.73  965.597 44498.73  965.597  575.349   6.2501  575.349   6.2501 0.000000 0.000000 
1 1 1   11    0   11 o  162.388   2.0519  3543.33   89.464  3543.33   89.464  3543.33   89.464  162.388   2.0519  162.388   2.0519 0.000000 0.000000 
1 1 1   11    0   12 o  371.646   4.4558 18564.47  444.634 18564.47  444.634 18564.47  444.634  371.646   4.4558  371.646   4.4558 0.000000 0.000000 
1 1 1   11    0   13 o  562.146   7.4914 42517.29  1130.65 42517.29  1130.65 42517.29  1130.65  562.146   7.4914  562.146   7.4914 -0.000000 0.000000 
1 1 1   11    0   14 o  506.961   6.0459 34564.51  822.976 34564.51  822.976 34564.51  822.976  506.961   6.0459  506.961   6.0459 -0.000000 0.000000 
1 1 1   11    0   15 o   47.184   1.3449  299.736   17.013  299.736   17.013  299.736   17.013   47.184   1.3449   47.184   1.3449 -0.000000 0.000000 
1 1 1   11    0   16 o   99.450   1.8030  1329.69   48.124  1329.69   48.124  1329.69   48.124   99.450   1.8030   99.450   1.8030 0.000000 0.000000 
1 1 1   11    0   17 o  208.336   2.8792  5834.31  161.045  5834.31  161.045  5834.31  161.045  208.336   2.8792  208.336   2.8792 0.000000 0.000000 
1 1 1   11    0   18 o  577.836   6.8887 44958.06  1068.79 44958.06  1068.79 44958.06  1068.79  577.836   6.8887  577.836   6.8887 -0.000000 0.000000 
1 1 1   11    0   19 o  292.809   3.5428 11526.33  278.533 11526.33  278.533 11526.33  278.533  292.809   3.5428  292.809   3.5428 -0.000000 0.000000 
1 1 1   11    0   20 o  210.689   2.6002  5966.19  147.090  5966.19  147.090  5966.19  147.090  210.689   2.6002  210.689   2.6002 0.000000 0.000000 
1 1 1   11    0   21 o  270.111   2.9948  9806.55  217.209  9806.55  217.209  9806.55  217.209  270.111   2.9948  270.111   2.9948 -0.000000 0.000000 
1 1 1   11    0   22 o  236.165   2.6397  7495.99  167.396  7495.99  167.396  7495.99  167.396  236.165   2.6397  236.165   2.6397 0.000000 0.000000 
1 1 1   11    0   23 o   65.630   1.1346  579.022   19.986  579.022   19.986  579.022   19.986   65.630   1.1346   65.630   1.1346 0.000000 0.000000 
1 1 1   11    0   24 o  107.487   1.4874  1552.70   42.923  1552.70   42.923  1552.70   42.923  107.487   1.4874  107.487   1.4874 0.000000 0.000000 
1 1 1   11    0   25 o  187.760   2.3451  4738.52  118.223  4738.52  118.223  4738.52  118.223  187.760   2.3451  187.760   2.3451 0.000000 0.000000 
1 1 1   11    0   26 o  301.524   3.3296 12224.89  269.581 12224.89  269.581 12224.89  269.581  301.524   3.3296  301.524   3.3296 -0.000000 0.000000 
1 1 1   11    0   27 o  107.107   1.3677  1541.63   39.333  1541.63   39.333  1541.63   39.333  107.107   1.3677  107.107   1.3677 -0.000000 0.000000 
1 1 1   11    0   28 o   30.235   1.4390  123.627   11.626  123.627   11.626  123.627   11.626   30.235   1.4390   30.235   1.4390 0.000000 0.000000 
1 1 1   11    0   29 o  302.769   3.6691 12335.71  298.276 12335.71  298.276 12335.71  298.276  302.769   3.6691  302.769   3.6691 -0.000000 0.000000 
1 1 1   11    0   30 o  122.665   1.8594  2023.04   61.229  2023.04   61.229  2023.04   61.229  122.665   1.8594  122.665   1.8594 0.000000 0.000000 
1 1 1   11    0   31 o   91.605   1.5240  1128.31   37.473  1128.31   37.473  1128.31   37.473   91.605   1.5240   91.605   1.5240 0.000000 0.000000 
1 1 1   11    0   32 o  116.123   1.7937  1813.31   55.914  1813.31   55.914  1813.31   55.914  116.123   1.7937  116.123   1.7937 -0.000000 0.000000 
1 1 1   11    0   33 o   77.990   1.2773  817.804   26.740  817.804   26.740  817.804   26.740   77.990   1.2773   77.990   1.2773 -0.000000 0.000000 
1 1 1   11    0   34 o   26.668   1.3845   96.328   9.8561   96.328   9.8561   96.328   9.8561   26.668   1.3845   26.668   1.3845 -0.000000 0.000000 
1 1 1   11    0   35 o  163.094   2.0949  3578.88   91.734  3578.88   91.734  3578.88   91.734  163.094   2.0949  163.094   2.0949 -0.000000 0.000000 
1 1 1   11    0   36 o   54.191   1.4717  395.556   21.385  395.556   21.385  395.556   21.385   54.191   1.4717   54.191   1.4717 -0.000000 0.000000 
1 1 1   11    0   37 o   37.963   1.1590  194.188   11.793  194.188   11.793  194.188   11.793   37.963   1.1590   37.963   1.1590 0.000000 0.000000 
1 1 1   11    0   38 o   83.281   1.2108  932.636   27.071  932.636   27.071  932.636   27.071   83.281   1.2108   83.281   1.2108 -0.000000 0.000000 
1 1 1   11    0   39 o  142.628   1.7171  2737.18   65.757  2737.18   65.757  2737.18   65.757  142.628   1.7171  142.628   1.7171 0.000000 0.000000 
1 1 1   11    0   40 o   40.036   1.1152  215.913   11.971  215.913   11.971  215.913   11.971   40.036   1.1152   40.036   1.1152 0.000000 0.000000 
1 1 1   11    0   41 o   4.0113   2.5582   0.4794   6.1047   0.4794   6.1047   0.4794   6.1047   4.0113   2.5582   4.0113   2.5582 0.000000 0.000000 
1 1 1   11    0   42 o   37.053   1.0810  185.017   10.738  185.017   10.738  185.017   10.738   37.053   1.0810   37.053   1.0810 -0.000000 0.000000 
1 1 1   11    0   43 o   39.237   1.1384  207.526   11.975  207.526   11.975  207.526   11.975   39.237   1.1384   39.237   1.1384 0.000000 0.000000 
1 1 1   11    0   44 o   39.419   1.3213  209.770   13.954  209.770   13.954  209.770   13.954   39.419   1.3213   39.419   1.3213 -0.000000 0.000000 
1 1 1   11    0   45 o   11.346   3.6532   22.128   9.8286   22.128   9.8286   22.128   9.8286   11.346   3.6532   11.346   3.6532 -0.000000 0.000000 
1 1 1   11    0   46 o   60.091   1.1478  486.290   18.511  486.290   18.511  486.290   18.511   60.091   1.1478   60.091   1.1478 -0.000000 0.000000 
1 1 1   11    0   47 o   8.4394   3.8426   14.129   9.4452   14.129   9.4452   14.129   9.4452   8.4394   3.8426   8.4394   3.8426 -0.000000 0.000000 
1 1 1   11    0   48 o   11.640   3.2852   22.269   8.8940   22.269   8.8940   22.269   8.8940   11.640   3.2852   11.640   3.2852 0.000000 0.000000 
1 1 1   11    0   49 o   9.4071   3.7344   16.673   9.1036   16.673   9.1036   16.673   9.1036   9.4071   3.7344   9.4071   3.7344 -0.000000 0.000000 
1 1 1   11    0   50 o   4.2219   2.8193  -2.7848   8.7613  -2.7848   8.7613  -2.7848   8.7613   4.2219   2.8193   4.2219   2.8193 0.000000 0.000000 
1 1 1   11    0   51 o   9.1738   4.1884   16.961   11.224   16.961   11.224   16.961   11.224   9.1738   4.1884   9.1738   4.1884 0.000000 0.000000 
1 1 1   11    0   52 o   34.923   1.5474  165.712   14.450  165.712   14.450  165.712   14.450   34.923   1.5474   34.923   1.5474 0.000000 0.000000 
1 1 1   11    0   53 o   26.236   1.6281   94.137   11.372   94.137   11.372   94.137   11.372   26.236   1.6281   26.236   1.6281 0.000000 0.000000 
1 1 1   11    0   54 o   9.5797   3.8905   17.661   9.8141   17.661   9.8141   17.661   9.8141   9.5797   3.8905   9.5797   3.8905 0.000000 0.000000 
1 1 1   11    0   55 o   16.684   3.0676   41.795   12.376   41.795   12.376   41.795   12.376   16.684   3.0676   16.684   3.0676 -0.000000 0.000000 
1 1 1   11    0   56 o   43.714   1.4920  259.379   17.472  259.379   17.472  259.379   17.472   43.714   1.4920   43.714   1.4920 0.000000 0.000000 
1 1 1   11    0   57 o   15.841   2.7615   37.434   10.680   37.434   10.680   37.434   10.680   15.841   2.7615   15.841   2.7615 0.000000 0.000000 
1 1 1   11    0   58 o   13.114   3.7452   29.214   11.434   29.214   11.434   29.214   11.434   13.114   3.7452   13.114   3.7452 0.000000 0.000000 
1 1 1   11    0   59 o   4.7326   3.1838  -3.6077   11.553  -3.6077   11.553  -3.6077   11.553   4.7326   3.1838   4.7326   3.1838 0.000000 0.000000 
1 1 1   11    0   60 o   32.730   1.7567  148.150   15.341  148.150   15.341  148.150   15.341   32.730   1.7567   32.730   1.7567 -0.000000 0.000000 
1 1 1   11    0   61 o   16.138   3.4505   42.105   13.137   42.105   13.137   42.105   13.137   16.138   3.4505   16.138   3.4505 -0.000000 0.000000 
1 1 1   11    0   62 o   3.9752   2.8107 -12.5553   12.242 -12.5553   12.242 -12.5553   12.242   3.9752   2.8107   3.9752   2.8107 0.000000 0.000000 
1 1 1   11    1  -61 o   11.769   3.7623   20.607   13.436   21.144   19.426   20.114   18.602   12.268   4.5010   12.019   4.4053 0.2494984 6.298038 
1 1 1   11    1  -60 o   22.105   1.4857   66.819   8.7698   62.026   12.546   71.399   12.263   21.049   2.2542   22.681   2.0347 -1.631416 3.036695 
1 1 1   11    1  -59 o   22.954   1.3814   71.727   8.4770   63.877   11.814   80.059   12.170   21.471   2.0744   24.116   1.8941 -2.644808 2.809067 
1 1 1   11    1  -58 o   50.423   0.8860  342.644   12.000  346.978   17.165  338.501   16.781   50.649   1.2618   50.030   1.2488 0.6189384 1.775288 
1 1 1   11    1  -57 f   31.020   1.0776  129.791   8.9786  126.710   12.346  133.248   13.081   30.587   1.5028   31.357   1.5531 -0.7702084 2.161180 
1 1 1   11    1  -56 o   39.539   1.1472  210.851   12.183  217.385   17.496  204.700   16.976   40.060   1.6261   38.874   1.6258 1.186329 2.299436 
1 1 1   11    1  -55 o   38.504   0.9350  199.618   9.6696  212.136   13.656  187.028   13.694   39.648   1.2824   37.215   1.3700 2.432945 1.876545 
1 1 1   11    1  -54 o   36.346   1.0775  177.993   10.519  181.628   17.787  176.038   13.044   36.607   1.8090   36.113   1.3448 0.4935493 2.254096 
1 1 1   11    1  -53 o   19.203   1.3857   50.042   7.0991   51.828   10.182   48.353   9.9033   19.442   1.9773   18.769   1.9951 0.6734085 2.808972 
1 1 1   11    1  -52 o   15.287   1.6380   31.967   6.6209   31.495   9.3648   32.438   9.3620   15.019   2.4025   15.256   2.3610 -0.2374716 3.368448 
1 1 1   11    1  -51 o   10.736   2.2317   16.245   6.2254   22.621   8.9364   10.233   8.6774   12.626   2.7157   8.9332   3.0315 3.693082 4.070005 
1 1 1   11    1  -50 o   60.482   0.8183  492.048   13.293  488.789   18.774  495.324   18.823   60.234   1.1605   60.636   1.1558 -0.4020844 1.637814 
1 1 1   11    1  -49 o   5.5574   2.3272   0.7235   5.8336   5.5167   8.3944  -3.7535   8.1127   7.6437   2.9260   5.6832   2.5523 1.960448 3.882744 
1 1 1   11    1  -48 o   27.731   1.0927  103.513   8.1386  101.942   11.762  104.957   11.273   27.437   1.6030   27.854   1.5125 -0.4165249 2.203941 
1 1 1   11    1  -47 o   17.962   1.2938   43.683   6.2003   39.606   8.7594   47.777   8.7776   17.006   1.9531   18.728   1.7658 -1.721834 2.633039 
1 1 1   11    1  -46 o   45.216   0.8497  274.895   10.319  284.156   13.853  263.348   15.468   45.951   1.1224   44.221   1.3023 1.730331 1.719272 
1 1 1   11    1  -45 o   53.284   0.8664  381.743   12.400  374.266   17.600  389.113   17.474   52.727   1.2428   53.767   1.2100 -1.039063 1.734509 
1 1 1   11    1  -44 o   5.8487   2.4382   0.9409   6.3628   24.292   8.8753 -23.7512   9.1266   13.160   2.6030   4.1199   2.0537 9.040632 3.315671 
1 1 1   11    1  -43 o   57.542   0.8726  445.109   13.486  453.211   19.154  437.144   18.991   58.036   1.2288   56.997   1.2405 1.039070 1.746074 
1 1 1   11    1  -42 o   85.292   0.8716  977.820   19.966  979.330   28.252  976.313   28.222   85.321   1.2328   85.190   1.2334 0.1315918 1.743880 
1 1 1   11    1  -41 o   17.051   1.2410   39.310   5.6446   40.543   8.1307   38.163   7.8426   17.257   1.7796   16.739   1.7713 0.5185909 2.510893 
1 1 1   11    1  -40 o   46.201   0.7603  286.800   9.4350  278.209   13.277  295.563   13.410   45.492   1.0866   46.890   1.0648 -1.398304 1.521334 
1 1 1   11    1  -39 f   33.021   0.9784  146.543   8.6774  159.272   12.418  134.396   12.130   34.415   1.3434   31.610   1.4287 2.804380 1.961145 
1 1 1   11    1  -38 o   47.409   0.9158  302.016   11.661  307.118   16.524  296.954   16.459   47.794   1.2872   46.996   1.3039 0.7981453 1.832239 
1 1 1   11    1  -37 o  132.605   1.1938  2363.53   42.519  2415.00   63.882  2322.60   56.971  133.969   1.7753  131.404   1.6142 2.565857 2.399462 
1 1 1   11    1  -36 o   14.036   1.4507   26.771   5.3900   28.769   7.2394   24.286   8.0739   14.498   1.9053   13.230   2.3586 1.267798 3.032037 
1 1 1   11    1  -35 f   76.681   0.8103  789.918   16.689  788.260   23.644  791.563   23.560   76.587   1.1494   76.748   1.1429 -0.1605835 1.620924 
1 1 1   11    1  -34 o  118.662   1.2830  1892.36   40.892  1875.46   66.060  1902.86   52.067  118.059   2.0833  118.963   1.6295 -0.9041519 2.644873 
1 1 1   11    1  -33 o   37.696   0.9006  190.894   9.1188  191.362   11.803  190.200   14.363   37.738   1.1644   37.619   1.4215 0.1196976 1.837537 
1 1 1   11    1  -32 o   16.553   1.0811   36.969   4.7803   31.115   6.6311   43.302   6.8974   15.124   1.6597   17.892   1.4477 -2.767962 2.202377 
1 1 1   11    1  -31 o   67.884   0.9377  619.030   17.098  606.719   23.968  631.785   24.397   67.198   1.3280   68.572   1.3247 -1.374092 1.875710 
1 1 1   11    1  -30 o  280.634   2.1993 10589.09  165.771 10555.16  233.920 10623.32  234.954  280.018   3.1102  280.920   3.1139 -0.9018860 4.401133 
1 1 1   11    1  -29 o  179.872   1.4603  4346.97   70.551  4432.00  100.968  4265.85   98.621  181.581   2.0702  178.145   2.0611 3.435287 2.921325 
1 1 1   11    1  -28 o  114.613   1.1148  1764.54   34.318  1747.41   48.209  1782.14   48.864  114.042   1.5739  115.170   1.5796 -1.127518 2.229867 
1 1 1   11    1  -27 o   64.973   1.0363  567.034   18.085  536.933   25.065  599.719   26.119   63.219   1.4762   66.814   1.4555 -3.594406 2.073021 
1 1 1   11    1  -26 o   77.959   0.7971  816.275   16.690  815.689   23.615  816.860   23.591   77.927   1.1283   77.983   1.1263 -0.5594635E-01 1.594190 
1 1 1   11    1  -25 o  142.240   1.3739  2717.80   52.488  2689.80   70.098  2753.54   79.190  141.491   1.8445  143.150   2.0596 -1.658493 2.764824 
1 1 1   11    1  -24 o  265.079   2.5459  9444.07  181.261  9336.19  254.456  9555.20  258.269  263.455   3.5960  266.526   3.6078 -3.070740 5.093818 
1 1 1   11    1  -23 o   95.719   1.1673  1230.63   30.011  1289.68   46.861  1189.57   39.075   97.978   1.7807   94.103   1.5460 3.875336 2.358148 
1 1 1   11    1  -22 o  291.010   2.2716 11379.49  177.555 11349.89  250.665 11409.30  251.538  290.550   3.2120  291.309   3.2148 -0.7591248 4.544475 
1 1 1   11    1  -21 o  126.981   1.0827  2165.67   36.927  2154.53   52.027  2176.98   52.422  126.646   1.5295  127.304   1.5331 -0.6581650 2.165587 
1 1 1   11    1  -20 o  124.721   1.1131  2089.29   37.289  2068.43   54.937  2107.10   50.778  124.088   1.6483  125.245   1.5095 -1.157471 2.235057 
1 1 1   11    1  -19 o  192.246   1.6112  4964.63   83.196  4976.14  123.638  4955.11  112.468  192.439   2.3920  192.041   2.1804 0.3979034 3.236681 
1 1 1   11    1  -18 o  233.807   2.4217  7345.61  152.077  7432.85  202.911  7233.80  229.713  235.140   3.2128  231.933   3.6875 3.207016 4.890775 
1 1 1   11    1  -17 o  110.554   1.3907  1641.67   41.295  1618.06   50.265  1690.68   72.432  109.752   1.7051  112.173   2.4041 -2.421310 2.947378 
1 1 1   11    1  -16 o  295.412   2.8233 11727.22  224.016 11648.22  315.458 11807.58  318.174  294.323   3.9905  296.329   3.9976 -2.005859 5.648429 
1 1 1   11    1  -15 o  212.212   2.2113  6049.98  126.043  6156.87  168.581  5914.49  189.804  214.051   2.9322  209.775   3.3687 4.276031 4.466107 
1 1 1   11    1  -14 o  295.687   2.8252 11747.43  224.372 11644.85  315.496 11852.41  319.155  294.321   3.9910  296.931   4.0018 -2.610657 5.651756 
1 1 1   11    1  -13 o  361.935   3.4336 17603.66  333.788 17569.08  471.444 17638.43  472.654  361.462   4.8560  362.174   4.8588 -0.7124939 6.869412 
1 1 1   11    1  -12 o  282.804   2.7067 10744.51  205.597 10658.58  289.073 10832.48  292.473  281.621   3.8216  283.909   3.8354 -2.287476 5.414375 
1 1 1   11    1  -11 o  454.895   4.2929 27811.54  524.506 27433.67  735.174 28203.26  748.534  451.618   6.0608  457.906   6.0862 -6.287781 8.589184 
1 1 1   11    1  -10 o  233.051   2.2532  7295.39  141.040  7344.16  200.217  7247.35  198.712  233.806   3.1883  232.260   3.1853 1.546036 4.506822 
1 1 1   11    1   -9 o  273.417   2.4696 10041.59  181.363 10025.47  243.202 10061.79  272.214  273.175   3.3146  273.656   3.7035 -0.4816589 4.970181 
1 1 1   11    1   -8 o  353.321   2.9970 16769.57  284.407 16713.10  401.234 16826.59  403.198  352.676   4.2357  353.871   4.2421 -1.195099 5.994752 
1 1 1   11    1   -7 o  567.713   4.3591 43307.24  664.689 43133.91  937.517 43482.43  942.527  566.418   6.1624  568.701   6.1705 -2.282959 8.720650 
1 1 1   11    1   -6 o  380.658   2.9407 19464.17  300.662 19624.30  427.512 19307.46  422.925  382.174   4.1648  379.077   4.1538 3.097321 5.882139 
1 1 1   11    1   -5 o  148.337   1.2218  2955.13   48.679  2937.33   68.583  2973.20   69.106  147.886   1.7266  148.787   1.7293 -0.9002075 2.443675 
1 1 1   11    1   -4 o  684.696   5.4822 63008.46  1008.20 63531.61  1503.86 62581.39  1358.77  687.205   8.1476  682.148   7.4161 5.056885 11.01730 
1 1 1   11    1   -3 o  531.192   4.4711 37912.95  637.913 37816.71  1007.75 37977.29  824.023  530.312   7.0750  531.551   5.7717 -1.239014 9.130620 
1 1 1   11    1   -2 o  475.067   5.6662 30333.64  723.001 30417.70  936.013 30209.31  1138.40  475.594   7.3275  473.805   8.9455 1.789825 11.56343 
1 1 1   11    1   -1 f  317.867   2.8491 13571.93  243.249 13613.76  326.998 13520.10  363.980  318.330   3.8245  317.219   4.2719 1.111359 5.733788 
1 1 1   11    1    0 o  606.830   5.0999 49485.64  831.235 49549.08  1074.23 49390.97  1312.28  607.086   6.5880  605.953   8.0629 1.133484 10.41215 
1 1 1   11    1    1 f  281.126   2.5330 10615.35  191.263 10691.08  257.761 10522.56  285.306  282.109   3.4018  279.867   3.7955 2.242126 5.096854 
1 1 1   11    1    2 o  328.569   3.1206 14501.78  275.393 14529.67  348.776 14455.60  448.799  328.860   3.9486  327.978   5.0947 0.8823547 6.445704 
1 1 1   11    1    3 o  209.524   1.7365  5896.07   97.727  5917.00  132.627  5871.20  144.554  209.889   2.3526  209.072   2.5742 0.8168793 3.487315 
1 1 1   11    1    4 o  333.879   2.7037 14973.47  242.464 14989.14  328.638 14954.75  359.185  334.027   3.6631  333.632   4.0083 0.3950195 5.429956 
1 1 1   11    1    5 o  517.987   4.1592 36049.63  578.657 35416.04  773.960 36852.74  871.362  513.317   5.6136  523.577   6.1962 -10.26001 8.360949 
1 1 1   11    1    6 o  670.569   5.3696 60436.38  967.122 60879.14  1315.36 59915.35  1426.87  672.795   7.2789  667.352   7.9605 5.443298 10.78666 
1 1 1   11    1    7 o   93.835   0.9399  1182.51   23.689  1196.67   30.802  1162.02   37.061   94.394   1.2149   93.017   1.4834 1.377731 1.917445 
1 1 1   11    1    8 o  173.131   1.8303  4025.84   85.112  3933.16  110.956  4158.35  132.666  171.120   2.4141  175.945   2.8073 -4.824860 3.702572 
1 1 1   11    1    9 o  346.311   2.9385 16110.98  273.332 16142.36  353.303 16064.19  431.383  346.614   3.7950  345.732   4.6455 0.8824463 5.998538 
1 1 1   11    1   10 o  411.742   3.4798 22777.80  384.837 22726.41  496.183 22855.38  609.661  411.214   4.4924  412.300   5.5053 -1.085968 7.105669 
1 1 1   11    1   11 o  133.966   1.2337  2410.33   44.389  2419.26   57.365  2397.00   70.079  134.211   1.5914  133.588   1.9531 0.6225586 2.519337 
1 1 1   11    1   12 o  218.048   1.8049  6386.11  105.703  6344.79  142.410  6436.81  157.736  217.328   2.4397  218.891   2.6829 -1.563843 3.626316 
1 1 1   11    1   13 o  461.220   3.8913 28591.65  482.051 28724.57  624.172 28395.18  758.832  462.162   5.0283  459.347   6.1505 2.815460 7.944337 
1 1 1   11    1   14 o  257.202   2.2113  8886.77  152.764  8824.74  240.352  8928.82  197.872  256.245   3.4922  257.784   2.8578 -1.539001 4.512512 
1 1 1   11    1   15 o  199.751   1.6666  5359.51   89.417  5293.26  131.566  5416.37  121.897  198.489   2.4678  200.791   2.2603 -2.301926 3.346474 
1 1 1   11    1   16 o  246.102   2.2365  8137.04  147.833  8101.12  255.353  8155.15  181.307  245.461   3.8732  246.352   2.7401 -0.8905334 4.744429 
1 1 1   11    1   17 o  207.987   2.1674  5811.83  121.076  5798.59  159.980  5829.60  185.239  207.717   2.8675  208.247   3.3118 -0.5295410 4.380691 
1 1 1   11    1   18 o   60.462   0.8688  490.976   14.108  509.635   20.178  473.130   19.734   61.598   1.2196   59.351   1.2379 2.247253 1.737763 
1 1 1   11    1   19 o  318.712   2.4787 13649.62  212.181 13608.17  299.442 13691.41  300.699  318.131   3.5044  319.102   3.5084 -0.9710693 4.958812 
1 1 1   11    1   20 o  361.745   2.8028 17587.79  272.320 17536.11  384.398 17639.86  385.844  361.070   3.9637  362.136   3.9669 -1.066101 5.607744 
1 1 1   11    1   21 o  359.643   2.7877 17384.26  269.283 17319.92  379.801 17449.29  381.854  358.832   3.9407  360.168   3.9473 -1.336792 5.577662 
1 1 1   11    1   22 o  123.570   1.5038  2051.13   49.909  2096.03   61.841  1967.24   84.525  124.907   1.8433  120.987   2.6011 3.920242 3.188020 
1 1 1   11    1   23 o  377.410   3.2001 19151.42  324.395 19099.57  457.905 19203.65  459.629  376.677   4.5260  377.701   4.5307 -1.023987 6.404065 
1 1 1   11    1   24 o   64.030   0.9671  550.662   16.633  563.447   22.117  534.017   25.236   64.767   1.2714   63.050   1.4902 1.716507 1.958826 
1 1 1   11    1   25 o   73.905   0.8534  733.592   16.939  737.399   23.962  729.788   23.950   74.093   1.2041   73.710   1.2097 0.3834229 1.706809 
1 1 1   11    1   26 o  145.542   1.2177  2845.36   47.600  2806.39   66.806  2885.55   67.840  144.526   1.7210  146.551   1.7235 -2.024185 2.435596 
1 1 1   11    1   27 o   52.844   0.8416  375.064   11.945  400.975   18.090  355.031   15.906   54.635   1.2328   51.411   1.1519 3.224411 1.687195 
1 1 1   11    1   28 o  225.287   1.9610  6820.98  118.659  6745.91  186.341  6872.18  153.893  223.922   3.0983  226.076   2.5344 -2.153427 4.002806 
1 1 1   11    1   29 o   99.911   0.9700  1340.83   26.029  1380.03   39.048  1309.49   34.918  101.348   1.4345   98.728   1.3168 2.620773 1.947222 
1 1 1   11    1   30 o   6.1822   2.2856   3.9738   5.0247   7.5875   6.4094  -1.7885   8.0936   7.7675   2.6055   6.0438   2.6388 1.723676 3.708334 
1 1 1   11    1   31 o  103.994   1.0470  1452.84   29.245  1445.32   37.590  1464.37   46.551  103.714   1.3494  104.381   1.6604 -0.6670990 2.139584 
1 1 1   11    1   32 o   64.651   0.8428  561.455   14.634  550.856   20.483  572.506   20.915   64.030   1.1910   65.276   1.1929 -1.246063 1.685714 
1 1 1   11    1   33 o   63.923   0.8480  548.905   14.559  551.792   20.647  546.050   20.533   64.082   1.1996   63.747   1.1992 0.3342934 1.696202 
1 1 1   11    1   34 o   36.691   0.9593  180.864   9.4538  183.957   13.233  177.639   13.511   36.996   1.3317   36.354   1.3837 0.6419830 1.920433 
1 1 1   11    1   35 f   81.454   0.8786  891.373   19.221  878.571   25.865  907.162   28.725   80.854   1.1910   82.153   1.3018 -1.299294 1.764438 
1 1 1   11    1   36 o  106.923   1.1236  1536.44   32.267  1521.88   48.252  1548.21   43.398  106.368   1.6889  107.301   1.5058 -0.9338379 2.262727 
1 1 1   11    1   37 o   50.141   0.8724  337.797   11.748  324.146   17.459  349.093   15.882   49.103   1.3238   50.964   1.1603 -1.860897 1.760319 
1 1 1   11    1   38 o  100.779   0.9471  1364.80   25.636  1374.36   36.371  1355.35   36.139  101.101   1.3394  100.399   1.3401 0.7016144 1.894720 
1 1 1   11    1   39 f   44.762   0.7681  269.205   9.2345  270.318   13.091  268.103   13.029   44.845   1.0868   44.661   1.0861 0.1840820 1.536503 
1 1 1   11    1   40 o   82.892   0.8590  923.348   19.126  911.803   26.921  935.114   27.177   82.347   1.2172   83.393   1.2134 -1.046295 1.718642 
1 1 1   11    1   41 o   78.986   1.0299  838.716   21.849  859.459   27.744  804.845   35.453   79.933   1.2923   77.304   1.7075 2.628555 2.141375 
1 1 1   11    1   42 o   25.773   0.8868   89.282   6.1390   89.494   8.1972   89.012   9.2640   25.794   1.1832   25.683   1.3476 0.1107445 1.793337 
1 1 1   11    1   43 o   52.747   0.8908  374.026   12.620  382.475   22.402  370.098   15.274   53.282   1.5654   52.456   1.0841 0.8260155 1.904121 
1 1 1   11    1   44 o   39.438   0.8142  209.082   8.6245  218.610   12.236  199.673   12.159   40.309   1.1301   38.521   1.1751 1.788372 1.630380 
1 1 1   11    1   45 o   26.593   1.0235   95.124   7.3103   95.544   9.4856   94.512   11.472   26.636   1.3259   26.425   1.6242 0.2115517 2.096667 
1 1 1   11    1   46 o   20.142   1.3178   54.871   7.0901   61.712   11.093   50.147   9.2189   21.280   1.9630   19.188   1.8102 2.092102 2.670223 
1 1 1   11    1   47 o   47.615   0.8468  304.862   10.830  308.767   15.883  301.469   14.805   47.885   1.2350   47.322   1.1648 0.5622787 1.697593 
1 1 1   11    1   48 o   54.798   0.8789  403.867   12.935  397.845   17.959  410.359   18.647   54.349   1.2302   55.194   1.2579 -0.8445244 1.759463 
1 1 1   11    1   49 o   10.783   2.4623   16.436   6.9748   23.540   10.730   11.237   9.1787   12.855   3.1355   9.3129   3.1180 3.542327 4.421958 
1 1 1   11    1   50 o   63.566   0.9057  543.686   15.464  543.398   22.105  543.963   21.640   63.484   1.2964   63.523   1.2684 -0.3841400E-01 1.813657 
1 1 1   11    1   51 o   17.308   1.5360   40.785   7.0660   40.746   9.7022   40.829   10.311   17.188   2.1485   17.175   2.2925 0.1284599E-01 3.141912 
1 1 1   11    1   52 o   53.078   0.9436  379.268   13.452  374.333   19.054  384.172   18.995   52.666   1.3470   53.358   1.3254 -0.6918259 1.889737 
1 1 1   11    1   53 o   10.208   2.4844   14.793   6.7472   15.456   9.5161   14.123   9.5680   10.509   3.1343   10.136   3.1668 0.3735657 4.455623 
1 1 1   11    1   54 o   30.804   1.1812  127.938   9.7727  128.864   14.956  127.248   12.910   30.781   1.8171   30.635   1.5743 0.1459484 2.404194 
1 1 1   11    1   55 o   36.463   1.0403  179.131   10.189  183.447   13.566  173.548   15.431   36.856   1.3704   35.811   1.6043 1.045029 2.109937 
1 1 1   11    1   56 o   47.350   1.0029  302.083   12.755  309.702   16.677  291.347   19.797   47.890   1.2965   46.386   1.5890 1.504551 2.050820 
1 1 1   11    1   57 f   59.910   0.9800  483.761   15.769  493.419   24.803  477.208   20.430   60.349   1.5302   59.427   1.2799 0.9216537 1.994880 
1 1 1   11    1   58 o   21.416   1.5887   62.623   9.0733   58.032   12.786   67.279   12.877   20.403   2.3779   22.041   2.2048 -1.637739 3.242727 
1 1 1   11    1   59 o   28.818   1.3238  112.573   10.247  114.123   15.445  111.354   13.694   28.777   2.0109   28.497   1.7984 0.2798939 2.697752 
1 1 1   11    1   60 o   22.529   1.5996   69.591   9.6166   60.628   13.522   78.765   13.679   20.721   2.4787   23.780   2.1654 -3.059227 3.291380 
1 1 1   11    1   61 o   13.106   2.6546   25.024   9.0247   21.381   12.397   29.131   13.163   11.934   3.5816   13.851   3.5283 -1.917366 5.027642 
1 1 1   11    2  -61 o   26.121   3.2539  100.263   22.334  132.000   30.608   64.120   32.663   29.434   3.9732   19.049   5.8347 10.38420 7.059018 
1 1 1   11    2  -60 o   9.6263   2.9865   13.256   8.5265   13.347   12.046   13.165   12.071   10.026   3.5618   9.9885   3.5637 0.3780651E-01 5.038490 
1 1 1   11    2  -59 f   19.959   1.5452   54.529   8.2189   51.481   10.768   58.782   12.721   19.229   2.1203   20.481   2.3553 -1.252249 3.169084 
1 1 1   11    2  -58 o   6.2854   2.5684   2.2165   6.8730   5.2258   9.8237  -0.6689   9.6194   7.8831   3.1225   6.7001   2.9014 1.183069 4.262381 
1 1 1   11    2  -57 o   5.9195   2.6079  -1.9745   8.0651   0.2545   11.040  -4.5259   11.811   7.3473   3.1439   6.8947   3.0892 0.4526343 4.407620 
1 1 1   11    2  -56 o   33.568   1.0186  151.867   9.1835  151.960   12.995  151.775   12.980   33.518   1.4435   33.498   1.4426 0.2037811E-01 2.040781 
1 1 1   11    2  -55 o   21.134   1.4001   60.608   7.9027   61.624   11.168   59.589   11.184   21.204   1.9841   20.839   2.0237 0.3646908 2.834082 
1 1 1   11    2  -54 o   48.750   0.9192  319.943   12.036  337.133   18.345  306.950   15.948   49.969   1.3669   47.701   1.2448 2.267300 1.848725 
1 1 1   11    2  -53 o   7.6226   2.7810   6.5548   7.4013   24.076   10.812  -8.8985   10.153   12.958   3.1394   5.7904   2.6938 7.167838 4.136712 
1 1 1   11    2  -52 o   31.018   0.9796  129.551   8.1614  138.050   11.593  121.200   11.492   31.981   1.3496   29.957   1.4282 2.024336 1.965019 
1 1 1   11    2  -51 o   10.202   2.3072   14.728   6.1742   3.0059   8.6831   26.715   8.7811   7.1410   2.8987   13.796   2.4600 -6.654938 3.801866 
1 1 1   11    2  -50 o   39.655   0.8617  211.566   9.1782  213.365   12.955  209.752   13.005   39.787   1.2122   39.447   1.2275 0.3401299 1.725180 
1 1 1   11    2  -49 o   58.770   0.8928  464.673   14.092  452.875   19.965  476.389   19.894   57.965   1.2824   59.457   1.2458 -1.491871 1.787845 
1 1 1   11    2  -48 o   50.394   0.8493  341.550   11.496  360.004   15.889  321.279   16.653   51.707   1.1441   48.832   1.2697 2.875034 1.709098 
1 1 1   11    2  -47 o   55.970   0.8563  421.265   12.873  414.892   18.210  427.631   18.199   55.506   1.2215   56.354   1.2024 -0.8481369 1.713991 
1 1 1   11    2  -46 o   43.942   0.8640  259.641   10.197  262.543   13.769  256.115   15.176   44.164   1.1608   43.608   1.2957 0.5563049 1.739572 
1 1 1   11    2  -45 o   23.137   1.2601   72.287   7.8011   74.566   14.233   71.308   9.3269   23.354   2.2988   22.950   1.5217 0.4039974 2.756846 
1 1 1   11    2  -44 o   11.032   2.7289   17.175   8.0411   30.765   11.672   4.8991   11.094   14.770   3.0435   8.3016   3.3087 6.468593 4.495557 
1 1 1   11    2  -43 o   34.738   0.8778  162.230   8.1900  155.627   11.066  170.226   12.178   34.008   1.2116   35.563   1.2749 -1.555546 1.758763 
1 1 1   11    2  -42 o   80.197   0.8520  864.501   18.351  867.871   25.898  861.102   26.008   80.319   1.2005   80.004   1.2103 0.3150101 1.704724 
1 1 1   11    2  -41 o   60.692   0.8345  495.041   13.604  507.511   20.092  484.486   18.485   61.426   1.2178   60.022   1.1466 1.404236 1.672698 
1 1 1   11    2  -40 o   29.356   0.8745  115.811   6.8953  121.164   9.5570  109.999   9.9581   30.018   1.1854   28.598   1.2964 1.420080 1.756663 
1 1 1   11    2  -39 o   57.719   0.7640  447.606   11.844  460.252   16.863  435.295   16.638   58.515   1.0730   56.906   1.0886 1.609356 1.528493 
1 1 1   11    2  -38 o   43.987   0.8093  259.964   9.5615  255.450   12.449  266.456   14.931   43.596   1.0631   44.518   1.2487 -0.9224091 1.639987 
1 1 1   11    2  -37 o  114.726   1.1879  1769.22   36.603  1850.32   65.141  1731.80   44.250  117.217   2.0691  113.480   1.4518 3.736366 2.527582 
1 1 1   11    2  -36 o  117.094   1.1357  1842.75   35.719  1917.80   57.468  1795.51   45.596  119.386   1.7922  115.553   1.4691 3.833000 2.317340 
1 1 1   11    2  -35 o   33.508   0.8428  150.845   7.5855  144.469   9.9688  159.615   11.691   32.787   1.1320   34.460   1.2631 -1.672935 1.696116 
1 1 1   11    2  -34 o  138.814   1.4459  2590.43   53.910  2653.34   88.827  2553.75   67.830  140.372   2.3560  137.786   1.8328 2.586487 2.984959 
1 1 1   11    2  -33 o   93.980   0.9375  1186.57   23.665  1204.49   35.443  1172.16   31.788   94.666   1.3940   93.393   1.2672 1.272644 1.883896 
1 1 1   11    2  -32 o   87.176   0.9814  1020.96   22.979  1011.83   30.912  1032.24   34.354   86.773   1.3263   87.637   1.4595 -0.8649368 1.972124 
1 1 1   11    2  -31 o  271.442   2.1320  9909.13  155.438  9817.08  218.486 10003.45  221.182  269.986   3.0129  272.535   3.0216 -2.548462 4.267066 
1 1 1   11    2  -30 o  118.628   1.0841  1890.48   34.542  1828.89   50.114  1946.23   47.676  116.657   1.5994  120.348   1.4749 -3.690506 2.175655 
1 1 1   11    2  -29 o   43.008   0.8779  248.446   10.141  250.557   13.324  245.539   15.635   43.187   1.1486   42.750   1.3617 0.4373550 1.781419 
1 1 1   11    2  -28 o  210.908   1.7593  5977.57   99.663  5981.71  134.898  5972.60  147.883  210.926   2.3811  210.740   2.6126 0.1856384 3.534934 
1 1 1   11    2  -27 o  150.000   1.2476  3022.50   50.265  3018.65   71.026  3026.38   71.144  149.883   1.7643  150.075   1.7650 -0.1916809 2.495581 
1 1 1   11    2  -26 o  382.988   2.9659 19726.40  305.093 19660.35  430.497 19793.05  432.444  382.075   4.1950  383.361   4.1998 -1.286072 5.936016 
1 1 1   11    2  -25 o  106.653   1.0016  1527.81   28.693  1508.16   38.494  1552.38   43.041  105.958   1.3526  107.497   1.4907 -1.539261 2.012901 
1 1 1   11    2  -24 o  172.353   1.5345  3990.55   71.037  4035.46   92.347  3925.46  111.175  173.302   1.9839  170.901   2.4220 2.400253 3.130808 
1 1 1   11    2  -23 o  233.197   2.1284  7307.19  133.309  7430.85  201.908  7211.61  177.497  235.081   3.1978  231.616   2.8532 3.464386 4.285587 
1 1 1   11    2  -22 o  243.322   1.9178  7954.42  125.338  8095.11  179.288  7819.94  175.288  245.412   2.7200  241.206   2.7056 4.205994 3.836503 
1 1 1   11    2  -21 o  126.118   1.0776  2136.35   36.503  2100.04   51.085  2174.22   52.178  125.034   1.5212  127.223   1.5270 -2.189026 2.155344 
1 1 1   11    2  -20 o   69.440   0.8030  647.597   14.976  652.977   20.957  641.983   21.408   69.725   1.1190   69.135   1.1529 0.5897369 1.606687 
1 1 1   11    2  -19 f  219.879   1.8223  6494.94  107.623  6483.48  159.564  6504.50  145.772  219.640   2.7048  220.010   2.4668 -0.3696747 3.660762 
1 1 1   11    2  -18 o  157.918   1.5014  3349.82   63.683  3453.15   97.468  3272.85   84.122  160.312   2.2636  156.079   2.0067 4.232895 3.025003 
1 1 1   11    2  -17 o   74.018   1.5473  735.941   30.761  741.244   37.655  725.300   53.336   74.280   1.8874   73.464   2.7031 0.8166733 3.296791 
1 1 1   11    2  -16 o   80.059   1.2462  860.870   26.798  880.082   35.066  833.896   41.550   80.943   1.6129   78.786   1.9635 2.156929 2.541014 
1 1 1   11    2  -15 o  383.344   3.6334 19756.22  374.102 20038.65  533.937 19483.88  524.313  385.866   5.1518  380.491   5.1304 5.375488 7.270685 
1 1 1   11    2  -14 o  248.089   2.3918  8269.14  159.379  8252.15  225.122  8286.22  225.671  247.783   3.3826  248.293   3.3839 -0.5108643 4.784663 
1 1 1   11    2  -13 o  406.733   3.8482 22238.18  420.397 22260.37  594.974 22216.06  594.089  406.740   5.4461  406.335   5.4435 0.4046021 7.700114 
1 1 1   11    2  -12 o  400.863   3.7932 21598.11  408.404 21132.39  569.389 22091.60  586.115  396.355   5.3485  405.246   5.3848 -8.891022 7.589655 
1 1 1   11    2  -11 o  232.711   2.2511  7274.58  140.704  7239.58  198.305  7310.07  199.674  232.120   3.1808  233.247   3.1872 -1.127121 4.502842 
1 1 1   11    2  -10 o  407.661   3.8549 22333.45  422.089 22525.43  600.284 22145.71  593.620  409.269   5.4608  405.806   5.4463 3.462738 7.712454 
1 1 1   11    2   -9 o  290.512   2.6168 11337.41  204.184 11484.13  308.917 11223.59  272.095  292.334   3.9343  289.018   3.5051 3.316071 5.269237 
1 1 1   11    2   -8 o  265.268   2.0759  9451.57  147.902  9480.97  229.693  9430.74  193.311  265.650   3.2192  264.961   2.7163 0.6896362 4.212074 
1 1 1   11    2   -7 o  239.869   1.8868  7727.96  121.558  7762.56  188.902  7703.51  158.807  240.385   2.9258  239.479   2.4689 0.9058075 3.828271 
1 1 1   11    2   -6 o  232.158   1.8297  7238.95  114.092  7392.16  179.177  7134.46  147.967  234.584   2.8438  230.467   2.3904 4.116348 3.714941 
1 1 1   11    2   -5 o  546.729   4.1986 40164.47  616.551 40202.73  955.789 40137.20  806.873  546.782   6.5081  546.438   5.4976 0.3441162 8.519339 
1 1 1   11    2   -4 o  457.701   3.5232 28143.94  433.119 28224.29  672.228 28086.91  566.340  458.235   5.4618  457.177   4.6121 1.058563 7.148633 
1 1 1   11    2   -3 o  246.283   2.1189  8146.77  140.163  8116.85  221.171  8166.85  181.194  245.806   3.3500  246.575   2.7359 -0.7693634 4.325238 
1 1 1   11    2   -2 o   66.030   0.9368  585.536   16.613  585.869   25.323  585.284   22.013   66.048   1.4275   66.015   1.2415 0.3254700E-01 1.891829 
1 1 1   11    2   -1 o  514.046   5.5884 35517.80  771.576 35878.96  1345.61 35340.89  941.781  516.199   9.7053  512.653   6.8397 3.545776 11.87327 
1 1 1   11    2    0 o  348.768   3.1187 16340.00  292.151 16190.35  435.962 16461.99  393.604  347.108   4.6762  350.029   4.1866 -2.920868 6.276510 
1 1 1   11    2    1 o  236.945   2.6384  7541.23  167.914  7594.05  238.483  7489.30  236.461  237.750   3.7346  236.105   3.7287 1.645248 5.277395 
1 1 1   11    2    2 o  735.609   5.6381 72735.55  1113.96 73391.19  1735.02 72275.74  1453.00  738.449   8.7477  733.045   7.3798 5.404602 11.44477 
1 1 1   11    2    3 o  422.732   3.7641 24008.74  427.379 23777.89  636.972 24197.76  576.372  420.587   5.6386  424.323   5.0573 -3.735229 7.574280 
1 1 1   11    2    4 o  498.608   4.0041 33403.16  536.236 33843.85  802.165 33047.13  721.015  501.743   5.9524  495.847   5.4138 5.896118 8.046141 
1 1 1   11    2    5 o   94.088   1.1266  1188.91   28.471  1128.43   42.490  1238.18   38.355   91.661   1.7259   96.017   1.4872 -4.355408 2.278264 
1 1 1   11    2    6 o  372.812   2.8822 18670.63  288.609 18407.32  442.685 18865.28  380.620  370.104   4.4533  374.714   3.7818 -4.609375 5.842405 
1 1 1   11    2    7 o  269.983   2.3121  9790.77  167.661  9958.57  267.729  9682.50  215.051  272.249   3.6613  268.470   2.9823 3.779175 4.722230 
1 1 1   11    2    8 o  617.590   4.9496 51270.05  821.028 51081.61  1214.52 51428.63  1114.18  616.114   7.3392  618.306   6.7090 -2.192261 9.943614 
1 1 1   11    2    9 o  200.521   1.6697  5400.46   89.925  5466.62  134.255  5346.63  121.105  201.731   2.4778  199.509   2.2600 2.222031 3.353663 
1 1 1   11    2   10 o  340.024   2.6361 15531.68  240.744 15520.16  340.246 15543.23  340.681  339.843   3.7275  340.096   3.7295 -0.2523804 5.272946 
1 1 1   11    2   11 o  205.721   2.0075  5684.72  110.924  5703.12  157.079  5666.41  156.663  206.033   2.8385  205.368   2.8402 0.6642914 4.015426 
1 1 1   11    2   12 o  119.232   1.2548  1909.35   40.185  1948.54   57.315  1871.45   56.358  120.444   1.7717  118.037   1.7777 2.406609 2.509788 
1 1 1   11    2   13 o  203.744   1.6235  5575.79   88.844  5556.58  125.335  5595.20  125.956  203.375   2.2945  204.081   2.2979 -0.7055664 3.247276 
1 1 1   11    2   14 o  164.557   1.4687  3637.17   64.913  3687.85  103.154  3603.94   83.524  165.680   2.3180  163.795   1.8985 1.885117 2.996299 
1 1 1   11    2   15 o  160.103   1.3693  3442.93   58.883  3502.76   88.252  3394.92   79.052  161.474   2.0349  158.973   1.8514 2.500580 2.751041 
1 1 1   11    2   16 o  174.426   1.4764  4086.67   69.169  4067.50  102.262  4102.84   93.910  173.996   2.1882  174.757   2.0007 -0.7604065 2.964963 
1 1 1   11    2   17 o  326.633   3.3247 14343.38  291.675 13952.59  536.544 14507.31  347.508  321.721   6.2092  328.423   3.9395 -6.701416 7.353448 
1 1 1   11    2   18 o  249.019   2.5658  8333.18  171.609  8213.96  224.936  8499.20  265.448  247.171   3.3882  251.377   3.9315 -4.205460 5.190080 
1 1 1   11    2   19 f  371.817   3.0075 18583.21  300.353 18493.54  444.153 18658.78  407.708  370.714   4.4607  372.429   4.0758 -1.714600 6.042347 
1 1 1   11    2   20 o  256.369   2.0141  8830.35  138.686  8775.50  195.339  8886.11  196.935  255.518   2.8463  257.122   2.8516 -1.604767 4.029012 
1 1 1   11    2   21 o   51.590   0.8726  357.463   12.091  344.297   18.078  368.119   16.264   50.628   1.3294   52.352   1.1566 -1.723408 1.762136 
1 1 1   11    2   22 o   69.881   0.7840  655.853   14.716  662.106   21.781  650.601   19.961   70.210   1.1550   69.598   1.0678 0.6119308 1.572969 
1 1 1   11    2   23 o  140.898   1.2923  2666.63   48.904  2712.23   69.885  2622.86   68.459  142.083   1.8313  139.723   1.8242 2.360138 2.584799 
1 1 1   11    2   24 o   49.503   0.7374  329.119   9.8047  318.924   14.465  337.784   13.335   48.728   1.1052   50.149   0.9900 -1.420914 1.483819 
1 1 1   11    2   25 o  143.255   1.2563  2756.66   48.338  2754.10   71.682  2758.79   65.462  143.169   1.8641  143.297   1.7008 -0.1278381 2.523427 
1 1 1   11    2   26 o  217.650   1.8990  6365.52  111.015  6612.15  179.708  6213.32  141.172  221.728   3.0176  214.992   2.4448 6.736893 3.883619 
1 1 1   11    2   27 o  223.207   1.8522  6694.98  111.045  6660.78  164.110  6723.86  150.814  222.554   2.7454  223.630   2.5108 -1.076263 3.720433 
1 1 1   11    2   28 o   97.705   0.9154  1282.25   24.022  1283.69   34.014  1280.81   33.930   97.752   1.2955   97.642   1.2937 0.1099091 1.830889 
1 1 1   11    2   29 o   29.464   0.9677  116.609   7.6580  117.994   11.686  115.567   10.138   29.634   1.4682   29.329   1.2870 0.3046093 1.952430 
1 1 1   11    2   30 o   83.189   0.8368  929.563   18.696  913.774   26.192  945.968   26.697   82.472   1.1824   83.912   1.1845 -1.440170 1.673661 
1 1 1   11    2   31 o   96.373   1.0569  1247.75   27.357  1237.20   36.382  1261.46   41.498   95.952   1.4117   96.880   1.5948 -0.9279556 2.129834 
1 1 1   11    2   32 o   53.623   0.8696  386.271   12.524  379.280   14.937  402.824   22.983   53.133   1.0467   54.743   1.5631 -1.610722 1.881180 
1 1 1   11    2   33 o   65.014   0.8030  567.797   14.023  568.218   18.951  567.287   20.846   65.031   1.0850   64.974   1.1945 0.5677032E-01 1.613732 
1 1 1   11    2   34 o   37.779   0.8149  191.731   8.2687  209.981   12.555  177.750   10.988   39.529   1.1825   36.370   1.1249 3.158897 1.632077 
1 1 1   11    2   35 o   61.064   0.8156  500.951   13.377  501.371   18.905  500.529   18.932   61.079   1.1524   61.028   1.1550 0.5146408E-01 1.631562 
1 1 1   11    2   36 o  156.035   1.4209  3273.62   59.551  3255.11   83.950  3292.36   84.487  155.499   2.0100  156.387   2.0114 -0.8870392 2.843579 
1 1 1   11    2   37 o   23.850   1.0218   76.439   6.5454   66.656   9.8931   84.056   8.7291   22.196   1.6717   24.970   1.3061 -2.774260 2.121445 
1 1 1   11    2   38 o  140.571   1.2518  2656.71   47.263  2710.61   70.976  2613.76   63.351  141.894   1.8623  139.366   1.6924 2.527893 2.516441 
1 1 1   11    2   39 o   72.981   0.8149  715.676   15.973  731.285   22.735  700.462   22.446   73.754   1.1477   72.182   1.1578 1.571732 1.630198 
1 1 1   11    2   40 o  113.337   1.0268  1726.73   31.257  1722.91   44.164  1730.58   44.244  113.157   1.4531  113.409   1.4525 -0.2517242 2.054555 
1 1 1   11    2   41 o   89.965   0.8890  1087.87   21.481  1096.31   28.276  1076.34   33.032   90.287   1.1660   89.436   1.3751 0.8510666 1.802917 
1 1 1   11    2   42 o   34.062   0.8635  155.955   7.9004  152.900   11.363  158.814   10.992   33.710   1.2550   34.359   1.1911 -0.6490517 1.730225 
1 1 1   11    2   43 o   26.262   0.9846   92.743   6.9450   91.120   9.8620   94.339   9.7819   25.974   1.4190   26.434   1.3826 -0.4598217 1.981165 
1 1 1   11    2   44 o   28.266   0.9371  107.440   7.1148  106.389   10.093  108.478   10.031   28.108   1.3368   28.384   1.3158 -0.2757969 1.875751 
1 1 1   11    2   45 o   64.054   0.7945  551.568   13.668  558.920   21.114  546.265   17.933   64.435   1.2200   63.721   1.0478 0.7136040 1.608206 
1 1 1   11    2   46 o   69.759   1.0451  654.757   19.581  652.074   25.480  658.627   30.601   69.571   1.3636   69.871   1.6306 -0.3009033 2.125624 
1 1 1   11    2   47 o   40.517   0.9290  220.810   10.109  224.449   14.833  217.654   13.815   40.812   1.3531   40.197   1.2796 0.6153412 1.862335 
1 1 1   11    2   48 o   9.5576   2.5665   12.855   6.7276   12.486   10.984   13.076   8.5107   9.9354   3.4103   9.7578   2.9764 0.1775990 4.526455 
1 1 1   11    2   49 o   28.215   1.0383  107.169   7.8685   98.564   11.011  116.149   11.248   26.979   1.5257   29.342   1.4273 -2.363319 2.089268 
1 1 1   11    2   50 o   17.914   1.4728   43.615   7.0238   45.517   9.7098   41.526   10.173   18.210   2.0192   17.340   2.2363 0.8705921 3.012990 
1 1 1   11    2   51 o   49.607   1.1150  331.573   14.856  346.924   20.499  314.593   21.559   50.674   1.5062   48.223   1.6645 2.450928 2.244791 
1 1 1   11    2   52 o   11.544   2.2598   18.758   6.7562   22.551   9.7010   15.185   9.4148   12.566   2.9284   10.425   3.1195 2.141730 4.278679 
1 1 1   11    2   53 o   38.857   1.0007  203.349   10.444  213.226   15.931  195.904   13.831   39.721   1.4932   38.095   1.3517 1.625992 2.014170 
1 1 1   11    2   54 o   57.165   0.9180  439.926   14.095  433.400   18.700  448.512   21.447   56.685   1.2282   57.631   1.3856 -0.9456444 1.851581 
1 1 1   11    2   55 o   35.528   0.9912  170.022   9.4584  163.981   13.386  176.047   13.367   34.834   1.4307   36.101   1.3786 -1.266960 1.986786 
1 1 1   11    2   56 o   27.346   1.2271  100.948   9.0132  103.860   12.603   97.901   12.895   27.620   1.7073   26.792   1.8024 0.8280411 2.482633 
1 1 1   11    2   57 o   37.144   1.0549  186.105   10.524  185.891   13.863  186.395   16.169   37.061   1.3927   37.060   1.6243 0.1098633E-02 2.139599 
1 1 1   11    2   58 o   15.131   2.4217   32.326   9.5103   30.171   15.375   33.661   12.104   14.237   3.9038   15.250   3.0613 -1.013038 4.960986 
1 1 1   11    2   59 f   18.081   1.8579   45.204   8.8945   37.236   12.712   52.846   12.449   15.998   3.0702   19.374   2.4470 -3.376590 3.925998 
1 1 1   11    2   60 o   29.010   1.4071  114.507   10.964  111.330   16.046  117.290   15.017   28.297   2.1267   29.135   1.9299 -0.8380604 2.871828 
1 1 1   11    2   61 o   23.802   1.8130   78.438   11.504   67.215   15.969   90.544   16.585   21.566   2.8249   25.268   2.4755 -3.702394 3.756073 
1 1 1   11    3  -61 o   29.737   2.6976  126.711   21.312  121.100   30.596  132.000   29.703   27.877   4.2182   29.449   3.8472 -1.572332 5.709126 
1 1 1   11    3  -60 o   8.1776   3.5143   1.2660   13.901   8.8730   16.177 -20.2100   27.181   9.8296   3.9683   9.1523   4.3059 0.6773481 5.855642 
1 1 1   11    3  -59 o   34.750   1.1005  163.357   10.272  153.195   14.246  174.361   14.824   33.522   1.5822   35.776   1.5427 -2.253899 2.209848 
1 1 1   11    3  -58 o   22.954   1.3758   71.690   8.4428   78.444   12.842   66.548   11.205   23.839   2.0248   21.976   1.9175 1.863201 2.788641 
1 1 1   11    3  -57 o   19.598   1.5527   52.431   8.1064   59.434   10.905   43.782   12.119   20.774   1.9784   17.616   2.6429 3.157351 3.301293 
1 1 1   11    3  -56 o   34.894   0.9900  164.104   9.2785  168.454   13.433  160.134   12.832   35.288   1.4173   34.410   1.3884 0.8774071 1.983968 
1 1 1   11    3  -55 o   16.189   1.7221   35.925   7.3733   36.119   10.264   35.718   10.599   16.070   2.4559   15.953   2.5601 0.1171255 3.547621 
1 1 1   11    3  -54 o   33.094   1.1799  147.697   10.488  160.655   14.644  134.052   15.027   34.459   1.5823   31.395   1.7895 3.063898 2.388699 
1 1 1   11    3  -53 o   15.149   1.7697   31.508   7.0650   31.418   10.080   31.595   9.9051   14.945   2.6059   15.001   2.5495 -0.5651569E-01 3.645655 
1 1 1   11    3  -52 o   24.411   1.2924   80.630   8.4438   78.594   12.082   82.575   11.806   23.998   1.8897   24.620   1.7978 -0.6220417 2.608229 
1 1 1   11    3  -51 o   18.636   1.3479   47.113   6.7014   44.869   9.7109   49.154   9.2596   18.065   2.0369   18.956   1.8419 -0.8911400 2.746165 
1 1 1   11    3  -50 o   18.975   1.3388   48.815   6.7796   55.971   9.8118   42.277   9.3784   20.248   1.8237   17.537   2.0285 2.711657 2.727789 
1 1 1   11    3  -49 o   20.553   1.3557   57.222   7.4421   59.259   10.320   55.016   10.742   20.840   1.8634   20.045   2.0229 0.7951870 2.750332 
1 1 1   11    3  -48 o   57.205   0.8373  440.122   12.865  446.697   18.775  434.303   17.663   57.583   1.2140   56.787   1.1580 0.7964401 1.677709 
1 1 1   11    3  -47 o   59.723   0.7752  479.567   12.435  459.567   18.060  497.595   17.148   58.423   1.1509   60.806   1.0499 -2.382210 1.557891 
1 1 1   11    3  -46 o   37.176   0.8908  185.867   8.8947  166.667   12.608  204.892   12.550   35.172   1.3346   39.010   1.1978 -3.837475 1.793297 
1 1 1   11    3  -45 o   34.081   1.1193  156.312   10.245  148.110   16.570  161.389   13.036   33.060   1.8738   34.609   1.4024 -1.549114 2.340476 
1 1 1   11    3  -44 o   40.330   0.8591  218.682   9.3061  209.070   12.234  231.883   14.337   39.415   1.1556   41.499   1.2862 -2.084309 1.729097 
1 1 1   11    3  -43 o   25.083   1.0918   84.639   7.3553   86.677   10.585   82.737   10.228   25.312   1.5647   24.730   1.5476 0.5822582 2.200708 
1 1 1   11    3  -42 o   18.484   1.4325   46.279   7.0561   54.730   9.1583   33.936   11.069   20.077   1.7148   15.597   2.7422 4.479258 3.234231 
1 1 1   11    3  -41 o   28.191   0.8661  106.820   6.5582  110.073   9.3053  103.608   9.2444   28.605   1.2111   27.751   1.2402 0.8538418 1.733502 
1 1 1   11    3  -40 o   27.088   0.9858   98.638   7.1726   90.466   9.7868  108.120   10.542   25.891   1.4127   28.347   1.3846 -2.456684 1.978119 
1 1 1   11    3  -39 o   32.474   0.7965  141.703   6.9471  152.486   9.8714  131.122   9.7785   33.679   1.0913   31.229   1.1658 2.450602 1.596857 
1 1 1   11    3  -38 f   52.364   0.8126  368.417   11.429  378.217   14.932  354.553   17.760   53.047   1.0480   51.349   1.2877 1.697338 1.660272 
1 1 1   11    3  -37 o   61.360   0.7623  505.826   12.563  521.872   17.938  490.378   17.601   62.313   1.0718   60.403   1.0849 1.910091 1.525052 
1 1 1   11    3  -36 o   37.833   0.8129  192.297   8.2600  188.197   12.885  195.158   10.762   37.415   1.2821   38.108   1.0515 -0.6922035 1.658157 
1 1 1   11    3  -35 o  163.652   1.4830  3601.28   65.185  3611.58  103.457  3594.50   83.943  163.727   2.3526  163.428   1.9123 0.2988281 3.031788 
1 1 1   11    3  -34 o   86.159   0.9944  997.450   23.013  987.755   28.065  1017.35   40.207   85.728   1.2188   86.969   1.7212 -1.241119 2.109085 
1 1 1   11    3  -33 o  146.468   1.3448  2883.45   52.904  2888.02   83.476  2880.38   68.394  146.492   2.1215  146.348   1.7400 0.1438599 2.743800 
1 1 1   11    3  -32 o   59.454   0.7343  474.805   11.727  472.124   16.545  477.512   16.623   59.279   1.0392   59.616   1.0381 -0.3372993 1.468858 
1 1 1   11    3  -31 o  181.443   1.6115  4425.26   78.537  4411.57  101.297  4445.88  124.350  181.107   2.0824  181.741   2.5474 -0.6343689 3.290262 
1 1 1   11    3  -30 o   76.404   0.9299  784.170   19.084  786.196   28.827  782.590   25.462   76.490   1.4031   76.319   1.2421 0.1707458 1.873948 
1 1 1   11    3  -29 o  152.167   1.3898  3111.16   56.801  3122.19   80.426  3100.19   80.233  152.399   1.9648  151.860   1.9670 0.5381622 2.780249 
1 1 1   11    3  -28 o   88.111   0.8556  1042.79   20.248  1039.91   28.553  1045.70   28.718   87.982   1.2083   88.227   1.2119 -0.2446060 1.711291 
1 1 1   11    3  -27 o  181.234   1.4685  4412.94   71.482  4438.85  101.442  4387.38  100.744  181.726   2.0783  180.669   2.0761 1.056458 2.937594 
1 1 1   11    3  -26 o  134.621   1.1424  2434.39   41.309  2404.51   57.994  2465.16   58.854  133.777   1.6140  135.453   1.6177 -1.676407 2.285171 
1 1 1   11    3  -25 o  193.924   1.5581  5052.33   81.154  5198.81  116.728  4915.29  112.906  196.676   2.2097  191.239   2.1981 5.437332 3.116791 
1 1 1   11    3  -24 f  165.106   1.3504  3661.85   59.886  3579.80   83.561  3748.49   85.870  163.224   1.9060  167.025   1.9141 -3.801025 2.701248 
1 1 1   11    3  -23 o  137.446   1.2669  2537.58   46.769  2564.90   60.802  2497.99   73.192  138.174   1.6383  136.348   1.9986 1.825943 2.584251 
1 1 1   11    3  -22 o  230.527   1.9970  7140.31  123.646  7302.28  198.000  7036.78  158.309  233.041   3.1633  228.812   2.5759 4.228455 4.079452 
1 1 1   11    3  -21 o   12.617   0.9821   21.509   3.3019   17.922   4.4716   25.810   4.8966   11.455   1.4886   13.797   1.3382 -2.342308 2.001659 
1 1 1   11    3  -20 o   14.467   0.8598   28.210   3.3259   30.868   4.4304   24.778   5.0342   15.120   1.0985   13.509   1.4082 1.611358 1.785952 
1 1 1   11    3  -19 o  109.638   1.0122  1614.48   29.806  1616.26   44.330  1613.02   40.267  109.691   1.5046  109.584   1.3681 0.1076965 2.033602 
1 1 1   11    3  -18 o  149.450   1.3571  3000.12   54.474  2948.03   85.555  3035.63   70.644  148.126   2.1504  150.323   1.7497 -2.196899 2.772304 
1 1 1   11    3  -17 o  207.015   1.9080  5757.37  106.090  5666.23  157.733  5832.66  143.361  205.323   2.8602  208.333   2.5620 -3.010422 3.839864 
1 1 1   11    3  -16 o   92.290   1.3363  1144.05   33.124  1218.08   54.550  1100.81   41.689   95.216   2.1330   90.524   1.7146 4.692322 2.736735 
1 1 1   11    3  -15 o  285.062   3.4559 10924.89  264.603 11338.53  428.717 10670.36  336.299  290.165   5.5009  281.621   4.4460 8.544067 7.072969 
1 1 1   11    3  -14 o  143.615   1.3833  2770.32   53.361  2803.21   80.631  2744.69   71.177  144.450   2.0782  142.939   1.8539 1.510529 2.784980 
1 1 1   11    3  -13 o  138.079   1.3388  2560.80   49.651  2621.82   75.596  2514.51   65.845  139.702   2.0147  136.818   1.7918 2.884201 2.696195 
1 1 1   11    3  -12 o  435.847   3.8828 25538.14  454.538 25567.37  682.217 25514.80  609.534  435.808   5.8282  435.464   5.2114 0.3445129 7.818352 
1 1 1   11    3  -11 o  418.499   3.2325 23536.21  363.354 23923.30  568.341 23268.63  472.541  421.732   5.0174  416.016   4.2290 5.715363 6.561927 
1 1 1   11    3  -10 o  390.180   3.1494 20456.73  330.059 20311.63  487.174 20579.84  448.738  388.662   4.6668  391.259   4.2701 -2.597107 6.325556 
1 1 1   11    3   -9 o  104.420   1.0730  1464.39   30.093  1456.71   40.314  1474.06   45.224  104.144   1.4412  104.760   1.6072 -0.6168442 2.158772 
1 1 1   11    3   -8 o  415.812   3.2075 23230.95  358.223 22846.74  501.115 23632.47  512.276  412.260   4.5256  419.288   4.5488 -7.027069 6.416595 
1 1 1   11    3   -7 o  331.005   2.5677 14718.19  228.283 14809.68  323.979 14627.97  321.716  331.984   3.6334  329.941   3.6303 2.042755 5.136187 
1 1 1   11    3   -6 o  353.396   2.8578 16777.60  271.257 16851.38  368.299 16690.13  401.016  354.124   3.8722  352.404   4.2367 1.719482 5.739626 
1 1 1   11    3   -5 o  104.472   1.2133  1465.85   34.046  1520.97   53.261  1427.77   44.272  106.414   1.8634  103.104   1.5987 3.310135 2.455229 
1 1 1   11    3   -4 o  315.901   2.5630 13404.99  217.469 13408.13  294.455 13401.23  322.559  315.907   3.4703  315.812   3.8027 0.9497070E-01 5.148137 
1 1 1   11    3   -3 o  440.247   3.3917 26039.24  401.054 26086.75  567.784 25991.94  566.568  440.561   4.7983  439.759   4.7967 0.8012390 6.784697 
1 1 1   11    3   -2 o  385.835   3.1135 19999.03  322.660 20178.90  481.221 19852.11  434.907  387.490   4.6237  384.363   4.2127 3.126770 6.255064 
1 1 1   11    3   -1 o  240.609   2.3176  7776.12  149.773  7677.82  242.608  7836.65  190.384  239.048   3.7786  241.530   2.9347 -2.482727 4.784380 
1 1 1   11    3    0 o  276.294   2.8254 10254.61  209.670  9892.74  313.147 10548.67  282.285  271.328   4.2970  280.199   3.7509 -8.871246 5.703759 
1 1 1   11    3    1 o  842.328   6.7408 95429.66  1525.05 95970.47  2271.85 94986.07  2057.54  843.937   10.023  839.839   9.1214 4.098083 13.55179 
1 1 1   11    3    2 o  198.190   1.5810  5275.48   84.158  5281.02  119.133  5269.96  118.903  198.286   2.2369  198.078   2.2349 0.2077789 3.162076 
1 1 1   11    3    3 o  637.552   4.8903 54632.68  837.425 55320.10  1193.87 53966.88  1174.95  641.282   6.9313  633.394   6.9064 7.888123 9.784788 
1 1 1   11    3    4 o  128.140   1.1877  2205.22   40.878  2217.27   58.023  2193.35   57.599  128.486   1.6813  127.791   1.6781 0.6947250 2.375483 
1 1 1   11    3    5 o  252.627   1.9820  8572.11  134.488  8698.14  191.981  8450.67  188.458  254.459   2.8090  250.813   2.7975 3.645569 3.964404 
1 1 1   11    3    6 o  408.268   3.4501 22395.58  378.324 22663.06  602.668 22221.62  486.018  410.550   5.4654  406.614   4.4502 3.935242 7.048016 
1 1 1   11    3    7 o   87.813   1.0103  1035.62   23.830  1015.71   38.635  1047.85   30.275   86.962   1.6541   88.329   1.2761 -1.367249 2.089128 
1 1 1   11    3    8 o  533.697   4.2838 38284.84  614.067 38196.01  830.148 38392.18  912.528  532.886   5.8000  534.167   6.3603 -1.281067 8.607762 
1 1 1   11    3    9 o  291.902   2.4934 11446.58  195.487 11442.12  308.870 11449.56  252.493  291.776   3.9412  291.909   3.2204 -0.1333923 5.089638 
1 1 1   11    3   10 o  294.299   2.5126 11635.82  198.613 11536.52  279.350 11737.32  282.437  292.989   3.5498  295.527   3.5582 -2.538239 5.026141 
1 1 1   11    3   11 o  370.308   2.8657 18425.21  285.031 18809.30  447.207 18162.43  369.897  374.012   4.4518  367.591   3.7465 6.420929 5.818439 
1 1 1   11    3   12 o   50.308   0.8760  339.907   11.837  315.698   17.330  361.080   16.207   48.482   1.3309   51.850   1.1637 -3.368477 1.767893 
1 1 1   11    3   13 o  366.144   2.8338 18015.12  278.688 18048.86  432.058 17991.07  364.699  366.327   4.3912  365.818   3.7117 0.5088501 5.749729 
1 1 1   11    3   14 o  368.783   2.8542 18276.94  282.713 18277.54  437.843 18276.51  370.238  368.610   4.4224  368.687   3.7388 -0.7702637E-01 5.791061 
1 1 1   11    3   15 o  350.849   2.8402 16543.43  267.645 16614.94  398.018 16484.40  361.610  351.450   4.2164  350.115   3.8454 1.335297 5.706594 
1 1 1   11    3   16 o  188.221   1.7467  4759.16   88.306  4687.97  131.224  4818.09  119.382  186.773   2.6158  189.360   2.3472 -2.586624 3.514539 
1 1 1   11    3   17 o   97.054   1.1590  1265.17   30.213  1244.36   45.741  1281.27   40.242   96.244   1.7694   97.665   1.5341 -1.420647 2.341858 
1 1 1   11    3   18 o  203.128   1.8739  5543.20  102.238  5481.00  175.931  5574.92  125.628  201.912   3.2441  203.690   2.2963 -1.777771 3.974516 
1 1 1   11    3   19 o  225.432   1.8660  6827.38  112.985  6895.90  168.564  6771.49  152.250  226.510   2.7707  224.473   2.5252 2.037186 3.748784 
1 1 1   11    3   20 o  204.515   1.7062  5618.88   93.722  5562.09  138.150  5667.31  127.569  203.439   2.5283  205.366   2.3127 -1.926880 3.426485 
1 1 1   11    3   21 o  306.812   2.3906 12650.06  196.999 12608.73  277.989 12691.74  279.213  306.209   3.3800  307.215   3.3838 -1.005798 4.782720 
1 1 1   11    3   22 o  170.030   1.5154  3883.61   69.207  3924.27   98.450  3843.90   97.306  170.894   2.1449  169.135   2.1420 1.758881 3.031252 
1 1 1   11    3   23 o  135.397   1.1984  2462.43   43.581  2467.42   64.778  2458.31   58.904  135.519   1.7797  135.273   1.6212 0.2455902 2.407393 
1 1 1   11    3   24 f   58.953   0.9754  466.805   15.444  459.899   28.810  469.589   18.295   58.505   1.8334   59.127   1.1520 -0.6218224 2.165268 
1 1 1   11    3   25 o   93.552   0.8869  1175.50   22.285  1181.52   31.598  1169.54   31.435   93.785   1.2544   93.309   1.2543 0.4766998 1.773915 
1 1 1   11    3   26 o   53.253   0.7269  380.882   10.396  375.783   14.593  386.137   14.815   52.893   1.0272   53.617   1.0287 -0.7236710 1.453792 
1 1 1   11    3   27 o   83.104   0.9711  927.669   21.676  927.837   32.531  927.534   29.070   83.102   1.4574   83.092   1.3025 0.1000214E-01 1.954673 
1 1 1   11    3   28 o   89.089   0.8675  1066.07   20.759  1054.23   29.178  1078.21   29.542   88.586   1.2263   89.587   1.2277 -1.001640 1.735242 
1 1 1   11    3   29 o   98.434   0.9580  1301.54   25.329  1283.62   34.173  1323.39   37.733   97.745   1.3017   99.243   1.4156 -1.498436 1.923071 
1 1 1   11    3   30 o  105.917   1.0097  1507.04   28.723  1527.91   39.079  1482.51   42.360  106.634   1.3644  105.032   1.5016 1.602539 2.028893 
1 1 1   11    3   31 o   85.323   1.2964  978.244   29.709  976.206   33.429  985.900   64.804   85.227   1.4603   85.562   2.8199 -0.3347778 3.175565 
1 1 1   11    3   32 o   97.132   1.2111  1267.79   31.597  1277.84   37.232  1241.93   59.735   97.505   1.4217   96.061   2.3152 1.444756 2.716866 
1 1 1   11    3   33 o  156.906   1.4293  3309.44   60.238  3283.91   77.351  3348.78   96.025  156.251   1.8431  157.722   2.2667 -1.471863 2.921480 
1 1 1   11    3   34 o   96.644   0.9184  1254.88   23.840  1221.12   33.226  1290.70   34.227   95.314   1.2979   97.992   1.3004 -2.677818 1.837261 
1 1 1   11    3   35 o   73.008   0.8668  716.136   16.997  726.922   24.119  705.494   23.957   73.540   1.2211   72.448   1.2312 1.092545 1.734015 
1 1 1   11    3   36 o   92.075   0.8970  1139.10   22.182  1134.77   31.288  1143.47   31.454   91.876   1.2679   92.228   1.2697 -0.3514557 1.794370 
1 1 1   11    3   37 o   52.635   0.7626  372.209   10.781  379.386   15.349  365.221   15.146   53.130   1.0756   52.128   1.0818 1.001537 1.525502 
1 1 1   11    3   38 f  110.595   1.0537  1644.01   31.300  1650.58   46.542  1638.58   42.293  110.759   1.5645  110.373   1.4266 0.3856964 2.117301 
1 1 1   11    3   39 o   68.012   0.8343  621.579   15.240  627.818   22.695  616.454   20.568   68.328   1.2366   67.714   1.1309 0.6139069 1.675758 
1 1 1   11    3   40 o   8.6188   2.2233   10.402   5.1808   7.7719   7.1997   13.227   7.4609   7.9806   2.7597   9.7544   2.7365 -1.773827 3.886467 
1 1 1   11    3   41 o   45.139   0.7818  273.827   9.4786  277.555   12.745  269.213   14.180   45.433   1.0444   44.737   1.1800 0.6956444 1.575828 
1 1 1   11    3   42 o   48.272   0.8631  313.232   11.190  320.573   16.012  306.224   15.644   48.810   1.2213   47.705   1.2209 1.104904 1.726942 
1 1 1   11    3   43 o   88.453   0.8979  1051.94   21.331  1039.07   29.978  1065.15   30.360   87.859   1.2703   88.954   1.2707 -1.095703 1.796795 
1 1 1   11    3   44 o   89.893   0.9480  1086.75   22.890  1088.44   30.900  1084.70   34.076   89.910   1.2795   89.730   1.4139 0.1799164 1.906907 
1 1 1   11    3   45 o   42.571   0.9634  243.758   11.015  247.719   14.036  237.405   17.774   42.895   1.2182   41.957   1.5772 0.9377289 1.992919 
1 1 1   11    3   46 o   28.080   1.0568  106.104   7.9706   96.036   12.111  113.796   10.586   26.619   1.7029   29.061   1.3562 -2.442654 2.176964 
1 1 1   11    3   47 o   7.1659   2.5292   6.1115   6.0644   5.7356   8.4945   6.5023   8.6606   7.7320   2.9473   7.9663   2.9897 -0.2343407 4.198149 
1 1 1   11    3   48 o   62.757   0.9325  529.888   15.718  540.796   22.386  519.280   22.074   63.342   1.3158   62.067   1.3241 1.274277 1.866740 
1 1 1   11    3   49 o   29.278   1.2138  115.521   9.5453  110.036   15.072  119.195   12.334   28.425   1.9866   29.668   1.5533 -1.242596 2.521773 
1 1 1   11    3   50 o   18.813   1.3947   48.027   6.9973   42.647   9.8996   53.398   9.8916   17.592   2.1392   19.762   1.8865 -2.170609 2.852178 
1 1 1   11    3   51 o   35.382   1.0251  168.607   9.7417  166.319   14.175  170.656   13.411   35.083   1.5043   35.551   1.4045 -0.4685173 2.057982 
1 1 1   11    3   52 o   10.442   2.6560   15.503   7.4664   18.608   12.072   13.580   9.5016   11.540   3.5493   9.9741   3.1613 1.565719 4.752994 
1 1 1   11    3   53 o   27.641   1.1466  102.992   8.5127  104.034   12.085  101.966   11.993   27.679   1.6328   27.401   1.6370 0.2781639 2.312121 
1 1 1   11    3   54 o   18.238   1.4864   45.258   7.2181   49.752   10.260   40.855   10.156   19.025   2.0397   17.171   2.2568 1.853676 3.041953 
1 1 1   11    3   55 o   18.433   1.5595   46.308   7.6482   41.404   10.417   52.042   11.265   17.267   2.3036   19.416   2.1989 -2.149250 3.184630 
1 1 1   11    3   56 o   12.326   2.2471   21.395   7.1655   17.380   10.060   25.529   10.209   11.044   3.2039   13.335   2.9303 -2.291041 4.341840 
1 1 1   11    3   57 o   15.750   2.0648   34.469   8.5246   24.204   11.971   45.029   12.142   12.876   3.4081   17.882   2.6045 -5.006369 4.289402 
1 1 1   11    3   58 o   17.216   2.1645   41.347   9.7876   50.402   12.761   28.408   15.254   18.897   2.5817   13.800   3.9275 5.097193 4.700064 
1 1 1   11    3   59 o   6.0429   2.7126  -3.5415   9.1519 -10.1726   14.116   1.2671   12.021   6.8987   3.1980   7.7221   3.2918 -0.8234520 4.589477 
1 1 1   11    3   60 o   12.916   2.8960   24.563   9.7987   18.758   15.153   28.736   12.846   11.490   4.0020   13.796   3.4701 -2.305816 5.296882 
1 1 1   11    3   61 o   24.605   1.7959   83.868   11.786   86.540   16.372   80.994   16.981   24.646   2.5082   23.723   2.7140 0.9237823 3.695503 
1 1 1   11    4  -61 o   11.743   4.2918   19.913   17.637   5.1660   26.036   32.420   23.977   10.828   4.7300   14.142   5.0251 -3.314384 6.901043 
1 1 1   11    4  -60 o   13.483   4.3999   28.170   18.315   6.1620   26.326   48.810   25.495   11.129   4.8096   17.109   5.1366 -5.980065 7.036811 
1 1 1   11    4  -59 o   8.6983   3.2524   8.8008   10.231  -2.9187   14.112   21.787   14.855   7.6991   3.4178   12.167   3.9622 -4.468424 5.232591 
1 1 1   11    4  -58 o   15.938   2.2605   35.709   9.4059   22.623   12.147   55.306   14.865   12.378   3.4984   19.660   2.9023 -7.281565 4.545564 
1 1 1   11    4  -57 o   18.199   1.6192   45.364   7.8319   44.713   10.974   46.039   11.181   17.879   2.3415   18.144   2.3494 -0.2647724 3.316985 
1 1 1   11    4  -56 o   9.3526   2.6721   12.382   7.0468   13.639   10.301   11.276   9.6610   10.029   3.3011   9.3205   3.1983 0.7089901 4.596378 
1 1 1   11    4  -55 o   28.520   1.1040  109.687   8.4565  111.483   11.962  107.893   11.957   28.651   1.5602   28.180   1.5862 0.4716930 2.224965 
1 1 1   11    4  -54 o   24.861   1.3822   83.749   9.1929   81.513   13.076   85.933   12.927   24.404   2.0129   25.078   1.9340 -0.6748619 2.791477 
1 1 1   11    4  -53 o   18.174   1.5080   44.957   7.2946   52.367   10.439   37.885   10.198   19.529   2.0192   16.500   2.3690 3.029104 3.112784 
1 1 1   11    4  -52 o   39.246   0.9050  207.343   9.5396  214.957   13.579  199.925   13.404   39.915   1.2666   38.489   1.2966 1.425148 1.812634 
1 1 1   11    4  -51 o   45.377   0.9665  277.261   11.779  281.136   16.687  273.412   16.630   45.634   1.3614   45.000   1.3759 0.6337090 1.935585 
1 1 1   11    4  -50 o   32.791   0.9715  144.769   8.5565  149.163   12.710  141.126   11.571   33.236   1.4238   32.340   1.3322 0.8967819 1.949815 
1 1 1   11    4  -49 o   46.578   0.8590  291.899   10.746  293.641   14.661  289.876   15.799   46.681   1.1693   46.366   1.2686 0.3141899 1.725278 
1 1 1   11    4  -48 f   36.123   0.9574  175.597   9.2894  177.750   12.039  172.429   14.604   36.319   1.2341   35.739   1.5214 0.5795250 1.958991 
1 1 1   11    4  -47 o   39.744   0.8489  212.446   9.0615  204.411   12.724  220.716   12.908   38.955   1.2161   40.482   1.1872 -1.526707 1.699454 
1 1 1   11    4  -46 f   55.568   0.8604  415.258   12.842  413.107   19.417  416.931   17.122   55.374   1.3055   55.650   1.1455 -0.2762146 1.736814 
1 1 1   11    4  -45 o   65.957   0.9820  585.220   17.396  610.728   24.865  560.766   24.346   67.324   1.3751   64.507   1.4052 2.817284 1.966042 
1 1 1   11    4  -44 o   19.823   1.1833   53.080   6.2712   52.247   8.9649   53.878   8.7757   19.602   1.7201   19.917   1.6555 -0.3147030 2.387351 
1 1 1   11    4  -43 o   29.088   0.9008  113.768   7.0380  117.817   9.9946  109.786   9.9125   29.583   1.2578   28.555   1.2924 1.027973 1.803479 
1 1 1   11    4  -42 o   15.771   1.4963   33.806   6.2625   30.341   8.8191   37.329   8.8944   14.807   2.2916   16.499   2.0514 -1.692257 3.075617 
1 1 1   11    4  -41 o   52.068   0.9018  364.450   12.612  360.790   16.607  369.438   19.384   51.786   1.1940   52.387   1.3776 -0.6015892 1.823026 
1 1 1   11    4  -40 o   32.824   0.8396  144.801   7.4024  142.654   11.134  146.503   9.9099   32.563   1.2730   33.006   1.1178 -0.4430199 1.694128 
1 1 1   11    4  -39 o   91.221   0.8943  1118.35   21.912  1102.93   30.672  1134.42   31.314   90.556   1.2611   91.839   1.2694 -1.282974 1.789359 
1 1 1   11    4  -38 o   89.265   0.9155  1070.84   21.950  1066.18   29.654  1076.48   32.644   89.045   1.2399   89.462   1.3585 -0.4177170 1.839283 
1 1 1   11    4  -37 o   35.617   0.8314  170.455   7.9534  165.247   10.357  177.941   12.416   35.062   1.0998   36.379   1.2707 -1.316292 1.680567 
1 1 1   11    4  -36 o   67.093   0.8173  604.804   14.727  614.680   22.101  596.917   19.752   67.620   1.2169   66.642   1.1035 0.9782944 1.642706 
1 1 1   11    4  -35 o  139.800   1.4582  2628.13   54.753  2732.29   91.360  2569.75   68.397  142.385   2.3889  138.184   1.8428 4.201385 3.017102 
1 1 1   11    4  -34 f   88.919   1.0104  1062.43   24.130  1072.80   32.402  1049.53   36.157   89.331   1.3505   88.344   1.5238 0.9866943 2.036079 
1 1 1   11    4  -33 o  123.636   1.3142  2054.66   43.642  1991.36   60.498  2123.34   63.018  121.664   1.8513  125.629   1.8676 -3.965263 2.629704 
1 1 1   11    4  -32 o  115.405   1.1180  1789.59   34.655  1794.31   49.297  1784.99   48.727  115.523   1.5888  115.224   1.5745 0.2993622 2.236774 
1 1 1   11    4  -31 o   27.076   0.8113   98.480   5.8998  105.231   8.4272   91.990   8.2626   27.986   1.1211   26.165   1.1757 1.820581 1.624571 
1 1 1   11    4  -30 o  188.320   1.7562  4767.73   88.831  4840.42  120.489  4681.15  131.483  189.669   2.3651  186.482   2.6251 3.187637 3.533398 
1 1 1   11    4  -29 o   55.922   0.8436  420.059   12.671  419.262   16.640  421.160   19.549   55.864   1.1090   55.987   1.3000 -0.1225395 1.708783 
1 1 1   11    4  -28 o   16.768   1.0910   37.931   4.8870   43.411   6.4259   30.412   7.5265   17.925   1.3445   14.918   1.9232 3.006346 2.346544 
1 1 1   11    4  -27 o  113.552   1.0050  1732.01   30.652  1734.25   43.309  1729.76   43.388  113.613   1.4193  113.465   1.4237 0.1472626 2.010264 
1 1 1   11    4  -26 o  125.731   1.1328  2123.52   38.255  2093.08   51.275  2161.74   57.454  124.813   1.5295  126.838   1.6865 -2.024109 2.276742 
1 1 1   11    4  -25 o  340.451   2.6454 15585.15  241.905 15277.96  337.816 15908.46  346.563  336.872   3.7336  343.748   3.7536 -6.876343 5.294249 
1 1 1   11    4  -24 o  222.366   1.8451  6644.08  110.203  6619.92  163.087  6664.40  149.499  221.889   2.7365  222.655   2.4998 -0.7661743 3.706412 
1 1 1   11    4  -23 o   45.200   0.8251  274.400   10.017  275.531   12.166  272.017   17.653   45.292   1.0001   44.999   1.4606 0.2934074 1.770158 
1 1 1   11    4  -22 f  233.631   2.2611  7335.34  141.885  7377.47  164.551  7213.25  280.140  234.274   2.6151  231.444   4.5065 2.829880 5.210273 
1 1 1   11    4  -21 o  173.725   1.7253  4054.59   80.504  4099.20  114.385  4010.80  113.322  174.646   2.4385  172.752   2.4423 1.893570 3.451232 
1 1 1   11    4  -20 o  121.074   1.1978  1968.95   38.951  1987.62   52.390  1945.87   58.244  121.638   1.6036  120.349   1.8018 1.289093 2.412061 
1 1 1   11    4  -19 o  241.021   1.9854  7804.85  128.527  7793.06  173.721  7819.10  191.039  240.795   2.6860  241.177   2.9491 -0.3817902 3.989008 
1 1 1   11    4  -18 o  250.735   2.0608  8446.81  138.782  8563.23  189.575  8312.35  203.723  252.409   2.7963  248.664   3.0502 3.744965 4.138035 
1 1 1   11    4  -17 o  313.964   2.6777 13248.02  225.805 13022.16  315.731 13484.50  323.069  311.160   3.7778  316.633   3.7988 -5.472839 5.357496 
1 1 1   11    4  -16 o  194.316   1.7073  5072.35   89.106  5099.58  126.390  5045.45  125.644  194.807   2.4155  193.771   2.4141 1.036423 3.415099 
1 1 1   11    4  -15 o  333.539   3.3948 14957.35  304.121 15222.56  469.764 14766.01  399.027  336.221   5.2019  331.256   4.4848 4.965485 6.868294 
1 1 1   11    4  -14 o  189.215   1.9870  4809.94  100.982  4957.44  157.227  4706.37  131.748  192.045   3.0481  187.141   2.6211 4.904465 4.020092 
1 1 1   11    4  -13 o   46.054   0.7934  284.850   9.8136  290.631   13.933  279.157   13.825   46.517   1.1151   45.590   1.1290 0.9275131 1.586888 
1 1 1   11    4  -12 o  176.611   1.4909  4189.65   70.723  4147.94  104.353  4225.08   96.181  175.710   2.2111  177.342   2.0192 -1.632385 2.994398 
1 1 1   11    4  -11 o   47.516   0.9156  303.230   11.686  313.898   14.066  279.469   20.993   48.344   1.0833   45.613   1.7136 2.731312 2.027275 
1 1 1   11    4  -10 o  100.987   0.9943  1369.68   26.971  1398.87   43.123  1350.93   34.565  102.052   1.5733  100.290   1.2832 1.761200 2.030192 
1 1 1   11    4   -9 o  258.870   2.0290  9002.04  141.078  9075.86  200.601  8929.80  198.446  259.895   2.8737  257.795   2.8660 2.099335 4.058595 
1 1 1   11    4   -8 o  159.532   1.3029  3418.23   55.827  3385.66   78.505  3451.55   79.406  158.762   1.8410  160.299   1.8443 -1.537338 2.605916 
1 1 1   11    4   -7 o  168.835   1.3691  3828.53   62.087  3763.87   86.933  3895.85   88.703  167.395   1.9335  170.304   1.9392 -2.909332 2.738438 
1 1 1   11    4   -6 o  152.211   1.2509  3111.63   51.140  3160.91   72.998  3064.13   71.665  153.405   1.7716  151.038   1.7666 2.366730 2.501894 
1 1 1   11    4   -5 o  177.316   1.4301  4222.79   68.111  4127.91   95.025  4323.04   97.676  175.304   2.0182  179.399   2.0271 -4.095337 2.860439 
1 1 1   11    4   -4 o  224.215   1.7719  6752.35  106.706  6799.51  151.586  6706.03  150.234  224.980   2.5085  223.429   2.5034 1.551834 3.544008 
1 1 1   11    4   -3 o  180.269   1.5898  4364.67   76.974  4402.43  109.529  4327.82  108.198  181.036   2.2525  179.496   2.2443 1.540482 3.179716 
1 1 1   11    4   -2 o  143.561   1.2438  2768.01   47.959  2826.69   72.063  2721.35   64.255  145.069   1.8495  142.342   1.6807 2.726990 2.499029 
1 1 1   11    4   -1 o  253.753   2.2981  8649.36  156.626  8645.44  210.096  8654.25  234.995  253.673   3.0836  253.790   3.4474 -0.1164093 4.625256 
1 1 1   11    4    0 o  265.461   2.3991  9466.04  171.060  9740.64  261.528  9260.72  226.142  269.242   3.6165  262.541   3.2070 6.700928 4.833567 
1 1 1   11    4    1 o  128.800   1.4265  2228.09   49.349  2289.12   76.662  2184.90   64.487  130.545   2.1864  127.541   1.8825 3.003242 2.885141 
1 1 1   11    4    2 o  405.388   3.2671 22080.33  355.735 22010.66  526.588 22138.81  482.473  404.636   4.8452  405.846   4.4261 -1.210480 6.562510 
1 1 1   11    4    3 o  423.571   3.2668 24105.87  371.652 24532.20  531.625 23698.36  519.766  427.197   4.6332  419.876   4.6089 7.320801 6.535182 
1 1 1   11    4    4 o  126.783   1.1233  2158.78   38.252  2120.13   51.332  2207.06   57.362  125.640   1.5211  128.188   1.6660 -2.548538 2.255998 
1 1 1   11    4    5 o  335.390   2.8488 15112.40  256.629 15166.37  406.736 15076.71  330.781  335.888   4.5084  334.949   3.6768 0.9387817 5.817631 
1 1 1   11    4    6 o  562.367   4.7331 42520.83  714.912 42806.92  1015.50 42239.72  1006.63  563.929   6.7045  560.183   6.6904 3.745850 9.471587 
1 1 1   11    4    7 o  140.998   1.2871  2670.09   48.743  2639.70   76.658  2690.71   63.153  140.183   2.0360  141.537   1.6612 -1.353333 2.627707 
1 1 1   11    4    8 o  246.747   2.0253  8178.47  134.228  8215.17  182.204  8134.93  198.493  247.275   2.7434  246.053   3.0035 1.221512 4.067804 
1 1 1   11    4    9 o   34.889   0.7275  163.477   6.8175  165.225   9.6995  161.771   9.5843   35.075   1.0296   34.706   1.0282 0.3684807 1.455054 
1 1 1   11    4   10 o  231.231   1.8252  7182.19  113.357  7249.59  161.248  7116.33  159.391  232.286   2.5845  230.142   2.5786 2.144485 3.650839 
1 1 1   11    4   11 o  183.890   1.5456  4542.14   76.340  4470.75  112.004  4604.07  104.327  182.420   2.2860  185.126   2.0982 -2.705780 3.102887 
1 1 1   11    4   12 o  215.282   1.7084  6225.61   98.782  6262.65  140.201  6189.10  139.203  215.895   2.4178  214.624   2.4148 1.271271 3.417146 
1 1 1   11    4   13 o  249.533   1.9612  8365.02  131.443  8355.43  185.667  8374.67  186.111  249.346   2.7723  249.633   2.7757 -0.2867126 3.923058 
1 1 1   11    4   14 o  398.507   3.0790 21346.63  329.559 21841.31  472.663 20878.63  459.739  402.913   4.3677  393.937   4.3450 8.975708 6.160818 
1 1 1   11    4   15 o  164.794   1.4034  3647.78   62.117  3576.08   90.862  3710.70   85.112  163.147   2.0735  166.195   1.9067 -3.047882 2.816920 
1 1 1   11    4   16 o  202.093   1.8616  5486.81  101.051  5406.20  134.499  5591.28  153.121  200.574   2.4966  203.962   2.7951 -3.387787 3.747730 
1 1 1   11    4   17 o  219.945   1.8234  6498.92  107.719  6611.05  180.281  6436.66  134.335  221.766   3.0267  218.867   2.2852 2.898972 3.792441 
1 1 1   11    4   18 o  190.010   1.6749  4850.07   85.477  4871.55  135.313  4835.80  110.262  190.387   2.6461  189.711   2.1639 0.6760712 3.418260 
1 1 1   11    4   19 o   99.132   1.0555  1319.91   28.104  1307.85   41.725  1329.92   38.022   98.670   1.5744   99.502   1.4227 -0.8315811 2.122008 
1 1 1   11    4   20 o  247.533   2.1372  8233.07  142.091  8331.65  226.467  8169.07  182.477  248.910   3.3874  246.525   2.7558 2.384293 4.366850 
1 1 1   11    4   21 o  337.604   3.4341 15329.07  311.396 14934.41  573.122 15494.38  370.922  332.623   6.4151  339.319   4.0699 -6.695984 7.597189 
1 1 1   11    4   22 f  194.423   1.6315  5078.21   85.200  5131.27  127.196  5035.03  114.745  195.394   2.4236  193.566   2.2070 1.828171 3.277973 
1 1 1   11    4   23 o  194.450   1.5627  5079.65   81.614  5014.89  114.468  5146.60  116.395  193.173   2.2062  195.693   2.2144 -2.519730 3.125876 
1 1 1   11    4   24 o  106.595   1.2529  1526.32   35.871  1519.01   42.488  1544.45   66.930  106.334   1.4877  107.194   2.3246 -0.8597107 2.759919 
1 1 1   11    4   25 o  216.323   1.7227  6287.75  100.091  6244.75  140.910  6331.56  142.198  215.525   2.4342  217.018   2.4395 -1.492340 3.446243 
1 1 1   11    4   26 o  166.489   1.3654  3723.88   61.059  3653.50   85.338  3797.70   87.401  164.878   1.9270  168.100   1.9358 -3.221725 2.731426 
1 1 1   11    4   27 o   81.272   0.8244  887.169   17.996  881.898   25.326  892.545   25.577   81.024   1.1638   81.511   1.1683 -0.4875336 1.648997 
1 1 1   11    4   28 o  129.247   1.1625  2244.14   40.354  2268.09   54.910  2216.00   59.505  129.916   1.5736  128.407   1.7253 1.508850 2.335184 
1 1 1   11    4   29 o   23.972   0.9915   77.199   6.3839   87.848   8.2849   61.637   10.016   25.571   1.2063   21.341   1.7631 4.229733 2.136282 
1 1 1   11    4   30 o  172.313   1.5442  3990.72   71.466  3968.42  100.628  4013.41  101.515  171.762   2.1812  172.732   2.1881 -0.9700470 3.089582 
1 1 1   11    4   31 o  141.460   1.3063  2689.18   49.633  2762.67   65.192  2587.85   76.550  143.347   1.6932  138.701   2.0548 4.646255 2.662588 
1 1 1   11    4   32 o   54.243   0.7412  395.235   10.798  401.636   15.257  388.811   15.284   54.674   1.0390   53.793   1.0578 0.8804398 1.482725 
1 1 1   11    4   33 o   39.110   0.8151  205.492   8.5625  211.304   11.325  197.735   13.083   39.655   1.0633   38.356   1.2699 1.299080 1.656276 
1 1 1   11    4   34 f   61.230   0.9087  503.724   14.944  517.597   18.963  480.989   24.275   62.059   1.1377   59.807   1.5112 2.251698 1.891554 
1 1 1   11    4   35 o   21.671   1.0033   63.108   5.8399   64.919   7.8966   60.922   8.6759   21.933   1.3470   21.228   1.5319 0.7043304 2.039874 
1 1 1   11    4   36 o   48.560   0.7524  316.802   9.8129  315.379   13.730  318.288   14.030   48.442   1.0553   48.664   1.0734 -0.2222061 1.505232 
1 1 1   11    4   37 o   93.029   0.9023  1162.95   22.546  1171.68   31.973  1154.32   31.797   93.349   1.2752   92.655   1.2777 0.6943588 1.805166 
1 1 1   11    4   38 o   72.894   0.8135  713.984   15.928  705.567   22.432  722.543   22.620   72.443   1.1529   73.310   1.1488 -0.8665848 1.627497 
1 1 1   11    4   39 o   36.001   0.8938  174.186   8.6426  167.175   12.856  179.966   11.674   35.251   1.3578   36.583   1.1881 -1.331188 1.804232 
1 1 1   11    4   40 o   89.811   0.9282  1084.26   22.391  1086.47   30.444  1081.65   33.047   89.868   1.2613   89.654   1.3724 0.2141037 1.863911 
1 1 1   11    4   41 o   28.381   0.9625  108.300   7.3372  113.905   10.226  102.353   10.533   29.092   1.3087   27.535   1.4291 1.557083 1.937846 
1 1 1   11    4   42 o   51.651   0.7808  358.586   10.832  351.074   15.305  366.125   15.333   51.085   1.1155   52.170   1.0943 -1.085266 1.562596 
1 1 1   11    4   43 o   66.135   0.8522  588.053   15.138  576.054   20.218  603.361   22.836   65.427   1.1505   66.945   1.2700 -1.517899 1.713648 
1 1 1   11    4   44 o   5.1622   2.2263  -0.5833   5.6178   1.6897   7.7139  -3.1504   8.1977   6.5459   2.7030   5.8249   2.5943 0.7209978 3.746568 
1 1 1   11    4   45 o   42.457   0.9147  242.434   10.431  216.408   16.196  260.879   13.635   40.063   1.5052   44.023   1.1531 -3.960239 1.896100 
1 1 1   11    4   46 f   25.506   1.0212   87.538   6.9959   91.596   9.8191   83.355   9.9701   26.029   1.4097   24.816   1.5029 1.213699 2.060598 
1 1 1   11    4   47 o   45.711   0.8281  280.999   10.168  272.822   14.317  289.321   14.442   45.008   1.1843   46.351   1.1601 -1.343643 1.657813 
1 1 1   11    4   48 f   17.827   1.2917   43.060   6.1426   46.529   9.2543   40.328   8.2126   18.444   1.8950   17.173   1.8076 1.271275 2.618887 
1 1 1   11    4   49 o   8.2100   2.5246   9.2028   6.1086   4.2249   8.7124   14.016   8.5671   7.4234   2.9405   10.027   2.9702 -2.603450 4.179535 
1 1 1   11    4   50 o   19.406   1.6775   51.329   8.6577   49.244   14.127   52.583   10.956   18.733   2.9016   19.559   2.1195 -0.8262348 3.593266 
1 1 1   11    4   51 o   70.276   1.0159  665.182   19.176  649.039   25.858  684.910   28.584   69.330   1.3886   71.189   1.4949 -1.859322 2.040360 
1 1 1   11    4   52 o   70.970   0.9522  678.200   18.151  681.134   23.765  674.093   28.119   71.057   1.2452   70.622   1.4824 0.4344788 1.935969 
1 1 1   11    4   53 o   36.787   1.0146  182.288   10.025  163.490   14.859  197.992   13.581   34.761   1.5915   38.298   1.3202 -3.536793 2.067801 
1 1 1   11    4   54 o   43.237   0.9412  251.751   10.931  227.650   14.853  280.226   16.145   41.056   1.3469   45.556   1.3194 -4.500103 1.885500 
1 1 1   11    4   55 o   26.798   1.1521   96.881   8.2922   96.999   11.812   96.766   11.644   26.700   1.6552   26.673   1.6332 0.2756691E-01 2.325307 
1 1 1   11    4   56 o   26.728   1.1866   96.469   8.5182   93.974   12.225   98.823   11.876   26.241   1.7445   26.934   1.6495 -0.6936512 2.400857 
1 1 1   11    4   57 o   45.524   1.0282  279.689   12.572  288.671   18.025  271.183   17.542   46.136   1.4546   44.714   1.4607 1.421120 2.061425 
1 1 1   11    4   58 o   26.167   1.3656   93.150   9.5648   93.051   13.784   93.243   13.284   25.968   1.9914   26.021   1.9141 -0.5318451E-01 2.762095 
1 1 1   11    4   59 o   21.274   2.0189   62.903   11.398   62.729   16.162   63.075   16.077   20.851   2.9698   20.922   2.9422 -0.7118607E-01 4.180482 
1 1 1   11    4   60 o   18.549   2.3022   48.697   11.223   44.682   15.660   52.936   16.092   17.206   3.5077   18.881   3.2929 -1.675072 4.811151 
1 1 1   11    4   61 o   15.046   2.5249   32.828   9.8427   44.169   14.658   23.515   13.283   17.104   3.3103   12.343   3.7079 4.761058 4.970579 
1 1 1   11    5  -60 o   10.682   4.1958   13.378   17.599   0.0000   0.0000   13.378   17.599  ?   ?    10.682   4.1958 0.000000 4.195779 
1 1 1   11    5  -59 f   29.295   2.1147  119.434   16.527   87.473   20.059  187.000   29.165   24.543   3.1128   36.057   3.0399 -11.51374 4.350920 
1 1 1   11    5  -58 o   21.503   1.5689   63.332   8.9988   64.511   12.957   62.233   12.507   21.474   2.2814   21.103   2.2409 0.3716145 3.197901 
1 1 1   11    5  -57 o   28.354   1.2842  108.872   9.7796  106.337   14.173  111.175   13.512   27.820   1.9083   28.492   1.7744 -0.6716824 2.605784 
1 1 1   11    5  -56 o   7.1147   2.7523   4.7184   7.4828   3.8858   10.429   5.6016   10.742   7.7982   3.1726   8.2240   3.2628 -0.4257913 4.550903 
1 1 1   11    5  -55 o   12.824   2.1391   23.029   7.1083   25.427   10.137   20.709   9.9707   13.309   2.9163   11.987   3.0803 1.322426 4.241826 
1 1 1   11    5  -54 o   13.451   2.1936   25.289   7.6521   14.074   10.085   40.511   11.748   10.153   3.2610   16.982   2.6633 -6.829006 4.210353 
1 1 1   11    5  -53 o   20.817   1.3543   58.768   7.5314   47.787   11.130   68.045   10.229   18.585   2.2773   22.345   1.7176 -3.759956 2.852373 
1 1 1   11    5  -52 o   68.225   0.8606  626.469   15.771  637.221   22.514  616.111   22.098   68.731   1.2196   67.584   1.2174 1.147530 1.723185 
1 1 1   11    5  -51 o   11.885   2.2092   19.834   6.7925   9.1594   9.9427   29.177   9.3015   8.8841   3.2260   14.414   2.4928 -5.529963 4.076913 
1 1 1   11    5  -50 o   10.360   2.6155   15.254   7.2789   11.008   9.9661   20.109   10.656   9.3537   3.2462   11.869   3.2482 -2.515059 4.592275 
1 1 1   11    5  -49 o   42.434   0.8483  242.283   9.6681  239.320   13.600  245.309   13.747   42.134   1.2018   42.658   1.1998 -0.5242195 1.698157 
1 1 1   11    5  -48 o   58.296   0.8988  457.289   14.074  452.961   18.127  463.859   22.332   57.982   1.1640   58.629   1.4182 -0.6471062 1.834657 
1 1 1   11    5  -47 o   15.826   1.6125   34.173   6.7585   31.535   10.314   36.158   8.9472   14.995   2.6581   16.198   2.1063 -1.203264 3.391476 
1 1 1   11    5  -46 o   24.050   1.3403   78.199   8.6236   78.706   11.152   77.444   13.601   24.075   1.7363   23.810   2.1499 0.2650433 2.763452 
1 1 1   11    5  -45 o   27.036   1.1492   98.402   8.3451  106.467   11.773   90.257   11.831   28.049   1.5689   25.798   1.7173 2.251467 2.326056 
1 1 1   11    5  -44 o   27.815   1.0177  104.090   7.6033  110.692   11.322   98.668   10.261   28.618   1.4781   27.021   1.4188 1.596184 2.048826 
1 1 1   11    5  -43 o   51.425   0.7812  355.509   10.791  355.822   15.325  355.200   15.197   51.422   1.1096   51.378   1.1012 0.4421234E-01 1.563287 
1 1 1   11    5  -42 o   8.8335   2.1987   10.970   5.1961   6.8927   7.2477   15.282   7.4535   7.7175   2.7605   10.414   2.6562 -2.696904 3.830950 
1 1 1   11    5  -41 o   47.836   0.8485  307.611   10.902  314.961   15.514  300.439   15.324   48.381   1.1938   47.252   1.2074 1.129551 1.697986 
1 1 1   11    5  -40 o   73.555   0.9617  727.400   19.000  689.510   27.917  760.092   25.932   71.563   1.4524   75.157   1.2846 -3.594276 1.938995 
1 1 1   11    5  -39 o   13.740   1.4537   25.693   5.2834   30.247   8.0468   22.242   7.0049   14.832   2.0768   12.668   2.1346 2.163821 2.978209 
1 1 1   11    5  -38 o   33.569   0.7993  151.420   7.2071  158.719   10.226  144.216   10.159   34.359   1.1081   32.750   1.1549 1.608955 1.600523 
1 1 1   11    5  -37 o   39.703   0.8159  211.809   8.7003  213.602   11.350  209.253   13.548   39.863   1.0600   39.447   1.2787 0.4161186 1.660951 
1 1 1   11    5  -36 o   59.644   0.7926  477.962   12.697  481.916   19.015  474.780   17.057   59.873   1.1824   59.434   1.0685 0.4393692 1.593705 
1 1 1   11    5  -35 o   26.171   0.8838   92.030   6.2125   85.359   8.3020  100.521   9.3656   25.198   1.2266   27.344   1.2752 -2.145468 1.769400 
1 1 1   11    5  -34 o   64.372   0.8754  556.744   15.136  546.441   22.303  565.541   20.609   63.755   1.3024   64.866   1.1829 -1.110584 1.759435 
1 1 1   11    5  -33 o   92.481   0.9283  1149.14   23.059  1135.41   33.998  1160.85   31.381   91.899   1.3773   92.932   1.2572 -1.032112 1.864861 
1 1 1   11    5  -32 o  125.556   1.3289  2118.95   44.815  2105.47   62.914  2132.84   63.853  125.101   1.8724  125.909   1.8881 -0.8084641 2.659095 
1 1 1   11    5  -31 o   99.971   1.0162  1342.79   27.286  1388.07   43.694  1313.85   34.936  101.608   1.6011   98.872   1.3155 2.735466 2.072212 
1 1 1   11    5  -30 o  167.152   1.4353  3755.21   64.438  3809.18   96.480  3711.74   86.580  168.268   2.1347  166.127   1.9404 2.140640 2.884829 
1 1 1   11    5  -29 o   24.374   0.9776   79.808   6.4001   83.849   7.7206   70.931   11.443   24.982   1.1506   22.892   1.8776 2.090015 2.202127 
1 1 1   11    5  -28 f   51.729   0.9039  359.451   12.559  348.849   15.709  378.225   20.905   50.957   1.1478   53.053   1.4670 -2.095688 1.862703 
1 1 1   11    5  -27 o  153.338   1.2724  3158.94   52.406  3128.94   73.662  3189.68   74.573  152.577   1.7975  154.051   1.8023 -1.473511 2.545406 
1 1 1   11    5  -26 o  138.001   1.1664  2558.35   43.233  2577.29   61.336  2539.65   60.947  138.490   1.6489  137.475   1.6506 1.015015 2.333123 
1 1 1   11    5  -25 o  208.460   1.6646  5839.15   93.201  5905.00  132.693  5775.04  130.938  209.574   2.3573  207.255   2.3522 2.318588 3.330107 
1 1 1   11    5  -24 o   80.014   0.8905  859.915   19.138  858.441   30.421  860.881   24.620   79.937   1.4169   80.055   1.1450 -0.1185760 1.821719 
1 1 1   11    5  -23 o  164.346   1.2918  3628.25   57.021  3634.33   77.679  3621.16   83.967  164.464   1.7585  164.159   1.9044 0.3052368 2.592094 
1 1 1   11    5  -22 o  189.195   1.5892  4808.87   80.758  4769.72  100.624  4879.72  135.376  188.403   1.9885  190.520   2.6455 -2.117203 3.309485 
1 1 1   11    5  -21 o  170.354   1.5171  3898.57   69.418  3884.68   82.714  3931.67  127.667  170.039   1.8111  171.013   2.7794 -0.9733734 3.317420 
1 1 1   11    5  -20 o  233.792   2.1316  7344.68  133.853  7352.19  179.463  7335.25  200.949  233.857   2.8571  233.556   3.2033 0.3009186 4.292389 
1 1 1   11    5  -19 o   97.737   0.9303  1282.98   24.422  1325.21   36.471  1248.66   32.883   99.326   1.3671   96.416   1.2698 2.910042 1.865820 
1 1 1   11    5  -18 o  178.019   1.5049  4257.05   71.956  4164.23   96.029  4375.90  108.659  176.049   2.0309  180.458   2.2418 -4.409500 3.024912 
1 1 1   11    5  -17 o  151.608   1.3057  3087.38   53.169  3006.80   70.974  3190.43   80.266  149.605   1.7663  154.100   1.9393 -4.495041 2.623065 
1 1 1   11    5  -16 o  292.003   2.2788 11457.30  178.722 11284.38  250.277 11637.23  255.301  289.711   3.2164  294.204   3.2308 -4.493103 4.558849 
1 1 1   11    5  -15 o  308.329   2.4009 12774.87  198.827 12802.84  281.583 12747.06  280.787  308.572   3.3975  307.899   3.3953 0.6727295 4.803222 
1 1 1   11    5  -14 o  282.987   2.4216 10761.16  184.064 10562.97  234.892 11076.47  296.277  280.312   3.1198  286.970   3.8439 -6.657318 4.950649 
1 1 1   11    5  -13 o   49.890   0.9108  334.296   12.204  342.661   14.952  317.594   21.126   50.510   1.1021   48.624   1.6176 1.885979 1.957388 
1 1 1   11    5  -12 o  286.928   2.4528 11062.71  189.032 11074.68  298.910 11054.73  244.027  286.958   3.8782  286.769   3.1682 0.1892700 5.007782 
1 1 1   11    5  -11 o  299.878   2.3365 12082.79  188.191 12093.00  266.284 12072.60  266.000  299.929   3.3055  299.676   3.3047 0.2530212 4.674131 
1 1 1   11    5  -10 o  382.921   2.9606 19706.35  304.492 19525.68  428.171 19891.21  433.104  381.019   4.1839  384.567   4.1930 -3.548615 5.923375 
1 1 1   11    5   -9 o  343.368   2.6617 15842.74  245.480 15780.78  346.220 15905.39  348.111  342.598   3.7625  343.947   3.7682 -1.349396 5.324997 
1 1 1   11    5   -8 o  152.421   1.2537  3120.35   51.325  3124.65   72.651  3116.07   72.517  152.517   1.7735  152.308   1.7727 0.2094269 2.507524 
1 1 1   11    5   -7 o  347.309   2.6911 16207.53  251.042 16217.26  355.043 16197.81  355.011  347.325   3.8059  347.116   3.8078 0.2084656 5.383678 
1 1 1   11    5   -6 o   73.062   0.9086  716.923   17.830  721.138   25.280  712.751   25.151   73.275   1.2845   72.847   1.2854 0.4273453 1.817233 
1 1 1   11    5   -5 o  125.339   1.1144  2109.93   37.516  2122.60   55.905  2099.54   50.603  125.709   1.6558  125.026   1.5069 0.6828003 2.238800 
1 1 1   11    5   -4 o  262.866   2.0582  9282.03  145.320  9217.98  204.669  9347.16  206.368  261.924   2.9093  263.753   2.9131 -1.828735 4.117026 
1 1 1   11    5   -3 o  270.155   2.3146  9804.47  167.947  9820.11  217.040  9781.12  265.143  270.342   2.9891  269.770   3.6593 0.5722351 4.724908 
1 1 1   11    5   -2 o  206.068   1.7961  5703.76   99.413  5696.42  128.244  5714.81  157.364  205.922   2.3187  206.239   2.8408 -0.3163300 3.666950 
1 1 1   11    5   -1 o  276.237   2.1580 10250.39  160.113 10257.34  226.550 10243.46  226.320  276.295   3.0528  276.108   3.0518 0.1869812 4.316587 
1 1 1   11    5    0 o   64.283   1.0150  554.978   17.525  526.298   21.084  619.072   31.520   62.599   1.2540   67.890   1.7286 -5.290806 2.135533 
1 1 1   11    5    1 o  156.538   1.4811  3291.22   62.272  3267.93   93.226  3309.99   83.678  155.971   2.2254  156.976   1.9846 -1.005173 2.981789 
1 1 1   11    5    2 o  254.240   2.3037  8683.21  157.309  9002.63  278.771  8533.99  190.545  258.794   4.0105  252.027   2.8149 6.767258 4.899772 
1 1 1   11    5    3 o  233.290   2.0165  7310.67  126.355  7614.33  183.551  7037.15  174.201  238.057   2.8707  228.858   2.8340 9.198898 4.033875 
1 1 1   11    5    4 o  262.028   2.5143  9224.07  176.956  9310.49  290.646  9173.17  223.064  263.168   4.1119  261.274   3.1786 1.894257 5.197226 
1 1 1   11    5    5 o  135.056   1.1848  2449.80   42.977  2531.99   65.041  2386.10   57.258  137.296   1.7637  133.284   1.5994 4.011734 2.380966 
1 1 1   11    5    6 o  184.455   1.5485  4569.96   76.719  4566.56  103.848  4574.06  113.834  184.374   2.0970  184.520   2.2969 -0.1460419 3.110161 
1 1 1   11    5    7 o  202.661   1.6150  5516.75   87.908  5435.09  123.170  5601.53  125.505  201.137   2.2799  204.193   2.2884 -3.056122 3.230273 
1 1 1   11    5    8 o  196.970   1.6439  5211.34   86.967  5156.52  128.067  5258.26  118.473  195.907   2.4339  197.838   2.2296 -1.930298 3.300697 
1 1 1   11    5    9 o   80.909   0.8258  879.182   17.945  870.842   26.460  886.285   24.418   80.522   1.2234   81.233   1.1192 -0.7116165 1.658106 
1 1 1   11    5   10 o  161.949   1.3224  3522.76   57.522  3501.92   81.000  3543.98   81.702  161.457   1.8678  162.424   1.8728 -0.9666138 2.645012 
1 1 1   11    5   11 o   98.989   0.8978  1316.04   23.871  1327.29   33.846  1304.91   33.672   99.408   1.2676   98.566   1.2719 0.8420486 1.795713 
1 1 1   11    5   12 o  324.652   2.5223 14163.30  219.942 14268.84  312.623 14059.88  309.491  325.758   3.5730  323.365   3.5634 2.393036 5.046197 
1 1 1   11    5   13 o  150.088   1.2954  3025.71   52.222  2975.77   76.633  3069.00   71.354  148.830   1.9171  151.148   1.7576 -2.317627 2.600835 
1 1 1   11    5   14 o   52.532   0.8688  370.636   12.258  362.371   17.954  377.852   16.777   51.941   1.2869   53.039   1.1777 -1.098671 1.744456 
1 1 1   11    5   15 o  132.506   1.2244  2358.30   43.577  2342.49   56.093  2382.36   69.206  132.054   1.5815  133.164   1.9349 -1.110352 2.499019 
1 1 1   11    5   16 o  121.052   1.0434  1968.14   33.923  1969.65   47.955  1966.64   47.995  121.091   1.4744  120.998   1.4768 0.9246063E-01 2.086848 
1 1 1   11    5   17 o   92.031   0.9445  1137.57   23.347  1136.81   36.852  1138.08   30.176   91.994   1.4915   92.049   1.2205 -0.5513000E-01 1.927212 
1 1 1   11    5   18 o  141.936   1.4525  2706.15   55.372  2666.16   89.935  2730.56   70.271  140.854   2.3772  142.564   1.8352 -1.710022 3.003142 
1 1 1   11    5   19 o  352.097   3.1543 16668.98  298.300 16461.49  512.630 16775.21  366.795  349.479   5.4612  353.110   3.8674 -3.631226 6.691945 
1 1 1   11    5   20 o  112.448   1.2192  1698.44   36.824  1660.25   59.341  1722.36   46.960  111.159   1.9875  113.231   1.5441 -2.071457 2.516844 
1 1 1   11    5   21 o   89.809   1.0108  1083.33   24.384  1083.83   52.485  1083.19   27.536   89.807   2.1759   89.801   1.1416 0.5401611E-02 2.457166 
1 1 1   11    5   22 o  137.139   1.5110  2526.56   55.657  2400.01  100.748  2582.14   66.770  133.605   2.8075  138.629   1.7932 -5.024597 3.331347 
1 1 1   11    5   23 o  185.826   1.5682  4639.28   78.273  4605.36  115.533  4668.05  106.416  185.102   2.3238  186.370   2.1259 -1.268860 3.149534 
1 1 1   11    5   24 o   46.249   0.7174  287.279   8.9112  286.525   12.537  288.049   12.669   46.186   1.0106   46.309   1.0185 -0.1226196 1.434857 
1 1 1   11    5   25 o  242.811   1.9175  7923.50  125.053  7876.44  176.170  7971.30  177.541  241.999   2.7104  243.452   2.7152 -1.452377 3.836414 
1 1 1   11    5   26 o   25.504   0.9058   87.368   6.2048   89.999   8.2565   83.955   9.4051   25.883   1.1876   24.958   1.4088 0.9255600 1.842599 
1 1 1   11    5   27 o   58.099   0.9899  453.429   15.448  449.811   18.930  460.639   26.726   57.863   1.2180   58.545   1.6996 -0.6818657 2.091006 
1 1 1   11    5   28 f   86.226   0.8505  998.678   19.697  978.414   27.553  1019.86   28.169   85.337   1.2021   87.126   1.2037 -1.788544 1.701159 
1 1 1   11    5   29 o   30.214   0.8720  122.630   7.0763  129.427   9.9794  115.755   10.036   31.037   1.1971   29.351   1.2730 1.685905 1.747479 
1 1 1   11    5   30 o   40.190   0.7417  216.970   8.0063  215.481   11.323  218.459   11.323   40.048   1.0526   40.324   1.0454 -0.2758522 1.483563 
1 1 1   11    5   31 o   26.193   0.9083   92.172   6.3901   99.270   8.6736   83.747   9.4501   27.179   1.1881   24.921   1.4177 2.258915 1.849754 
1 1 1   11    5   32 o   57.207   0.8030  439.641   12.338  428.236   15.980  456.479   19.416   56.453   1.0539   58.279   1.2404 -1.825615 1.627646 
1 1 1   11    5   33 o  117.221   1.1317  1846.67   35.630  1831.89   50.145  1861.75   50.636  116.709   1.5997  117.656   1.6023 -0.9470825 2.264159 
1 1 1   11    5   34 o   67.120   0.7781  605.247   14.028  597.567   19.648  613.231   20.034   66.681   1.0970   67.549   1.1042 -0.8680038 1.556556 
1 1 1   11    5   35 o   56.718   0.8218  432.219   12.519  439.068   16.038  421.535   20.031   57.158   1.0447   55.992   1.3319 1.165554 1.692712 
1 1 1   11    5   36 o   69.249   0.8223  644.328   15.295  649.102   20.787  638.692   22.587   69.491   1.1137   68.925   1.2201 0.5657349 1.651954 
1 1 1   11    5   37 o  114.055   1.1205  1748.78   34.327  1712.27   53.395  1774.49   44.815  112.774   1.7628  114.851   1.4528 -2.077164 2.284292 
1 1 1   11    5   38 o   55.334   0.7852  411.420   11.670  415.623   16.906  407.595   16.129   55.599   1.1321   55.061   1.0906 0.5372887 1.571967 
1 1 1   11    5   39 o  109.320   0.9961  1606.62   29.248  1618.01   38.389  1590.86   45.155  109.667   1.3033  108.703   1.5466 0.9631042 2.022475 
1 1 1   11    5   40 o   78.049   0.8743  818.827   18.328  808.581   24.770  831.223   27.246   77.529   1.1895   78.595   1.2907 -1.066132 1.755203 
1 1 1   11    5   41 o   69.601   0.8907  651.268   16.651  680.549   24.361  625.593   22.812   71.108   1.2755   68.180   1.2457 2.928024 1.782871 
1 1 1   11    5   42 o   37.202   0.9703  186.124   9.6958  192.563   12.979  177.995   14.584   37.820   1.2777   36.345   1.4940 1.475098 1.965856 
1 1 1   11    5   43 o   29.473   0.9502  116.830   7.5224  111.339   10.272  123.183   11.047   28.752   1.3301   30.240   1.3601 -1.488630 1.902369 
1 1 1   11    5   44 o   37.464   0.9671  188.801   9.7319  186.574   12.668  192.008   15.201   37.221   1.2672   37.738   1.4997 -0.5170250 1.963380 
1 1 1   11    5   45 o   23.647   1.0594   75.249   6.7286   72.337   9.6346   78.021   9.4010   23.104   1.5617   24.011   1.4647 -0.9069843 2.141098 
1 1 1   11    5   46 o   20.215   1.2043   55.232   6.5090   53.753   9.2365   56.690   9.1739   19.870   1.7485   20.419   1.6879 -0.5487766 2.430223 
1 1 1   11    5   47 o   42.621   0.8514  244.336   9.7459  239.104   13.714  249.674   13.853   42.128   1.2120   43.050   1.1980 -0.9227486 1.704176 
1 1 1   11    5   48 o   14.718   1.5820   29.600   6.1557   31.096   8.7405   28.127   8.6709   14.967   2.2434   14.196   2.3567 0.7708626 3.253789 
1 1 1   11    5   49 o   19.789   1.4441   53.158   7.6226   52.443   11.736   53.679   10.025   19.499   2.2841   19.808   1.9079 -0.3090229 2.976056 
1 1 1   11    5   50 o   9.4589   2.7463   12.529   7.3893   7.1537   9.8383   19.487   11.192   8.3903   3.1781   11.717   3.3736 -3.326834 4.634851 
1 1 1   11    5   51 o   16.359   1.9329   36.822   8.3290   38.827   12.182   35.062   11.413   16.593   2.8352   15.758   2.7991 0.8344574 3.984192 
1 1 1   11    5   52 o   88.253   1.1193  1049.89   26.531  1045.33   36.785  1054.83   38.303   87.909   1.5579   88.283   1.6153 -0.3746796 2.244192 
1 1 1   11    5   53 o   16.098   1.9047   35.660   8.0758   44.433   12.271   28.958   10.726   17.820   2.6441   14.259   2.8993 3.560746 3.923980 
1 1 1   11    5   54 o   32.463   1.0252  142.019   8.9395  130.132   12.695  153.710   12.590   31.011   1.5242   33.725   1.3899 -2.713949 2.062769 
1 1 1   11    5   55 o   59.717   0.9190  480.400   14.740  497.881   21.841  465.778   19.975   60.688   1.3399   58.719   1.2665 1.968586 1.843764 
1 1 1   11    5   56 o   7.9564   2.9237   7.2254   8.2015   2.6619   11.526   11.906   11.673   7.8881   3.2845   9.7837   3.5030 -1.895558 4.801927 
1 1 1   11    5   57 o   13.111   2.5380   24.581   8.6144   42.252   12.402   8.1043   11.975   17.210   2.7774   8.9818   3.4798 8.228428 4.452279 
1 1 1   11    5   58 o   19.069   2.0391   50.575   10.282   40.177   16.128   57.695   13.346   16.332   3.7551   20.210   2.5128 -3.878141 4.518338 
1 1 1   11    5   59 f   10.619   3.1457   16.548   9.6096   12.915   12.145   22.630   15.715   9.9176   3.5707   12.338   4.0781 -2.420715 5.420414 
1 1 1   11    5   60 o   23.073   2.0309   74.417   12.458   60.288   19.178   84.730   16.385   19.853   3.7337   24.371   2.5404 -4.518345 4.516043 
1 1 1   11    6  -60 o   15.390   4.3147   38.388   18.555   34.240   26.264   42.520   26.216   14.442   5.2434   15.734   5.2696 -1.292157 7.433796 
1 1 1   11    6  -59 o   8.4745   3.5927   3.0463   14.181 -35.0600   23.974   23.556   17.588   7.5662   3.6829   12.546   4.3149 -4.980188 5.672937 
1 1 1   11    6  -58 o   23.204   2.3029   75.483   14.163   88.506   19.870   62.034   20.194   24.773   3.0508   20.273   3.8494 4.500181 4.911739 
1 1 1   11    6  -57 o   31.090   1.2256  130.905   10.235  133.626   14.652  128.312   14.303   31.229   1.7539   30.602   1.7474 0.6267738 2.475799 
1 1 1   11    6  -56 o   23.011   1.4920   72.153   9.1717   88.502   12.903   55.458   13.040   25.385   1.9064   19.888   2.4960 5.497147 3.140734 
1 1 1   11    6  -55 o   28.015   1.1252  105.934   8.4665  102.296   11.863  109.711   12.087   27.409   1.6186   28.395   1.5912 -0.9857941 2.269760 
1 1 1   11    6  -54 o   18.119   1.6353   44.854   7.8724   32.780   10.319   61.668   12.177   15.241   2.6148   21.148   2.1748 -5.906433 3.401007 
1 1 1   11    6  -53 o   21.936   1.3510   65.243   7.9209   58.161   12.235   70.352   10.393   20.526   2.2565   22.718   1.7159 -2.191776 2.834801 
1 1 1   11    6  -52 o   18.279   1.4833   45.465   7.2198   49.706   10.309   41.384   10.114   19.011   2.0516   17.287   2.2303 1.723507 3.030368 
1 1 1   11    6  -51 o   26.984   1.0465   98.108   7.5846  101.705   12.091   95.774   9.7391   27.358   1.6532   26.595   1.3680 0.7626667 2.145851 
1 1 1   11    6  -50 o   20.347   1.3117   56.111   7.1303   53.391   9.8525   59.101   10.332   19.750   1.8800   20.790   1.8703 -1.039915 2.651900 
1 1 1   11    6  -49 o   65.440   0.8907  576.385   15.655  573.120   21.152  580.339   23.279   65.194   1.2080   65.577   1.3217 -0.3829651 1.790518 
1 1 1   11    6  -48 o   5.8797   2.4115   1.6279   6.0876   4.5246   8.5000  -1.4224   8.7225   7.4232   2.9158   6.3030   2.7460 1.120259 4.005319 
1 1 1   11    6  -47 o   35.899   1.0276  173.502   9.9088  186.581   14.769  162.796   13.362   37.178   1.4790   34.733   1.4323 2.444870 2.058908 
1 1 1   11    6  -46 o   17.031   1.4872   39.432   6.7348   33.000   8.8273   48.391   10.418   15.448   2.1886   18.780   2.1013 -3.331969 3.034101 
1 1 1   11    6  -45 o   28.582   0.9260  109.899   7.1091  103.547   10.102  116.132   10.007   27.717   1.3569   29.360   1.2689 -1.642693 1.857786 
1 1 1   11    6  -44 o  102.017   1.1081  1400.82   30.364  1403.25   51.512  1399.53   37.588  101.890   1.8823  101.909   1.3733 -0.1911163E-01 2.329986 
1 1 1   11    6  -43 o   28.836   0.9077  111.829   7.0303  108.676   9.9158  115.016   9.9692   28.405   1.2997   29.224   1.2701 -0.8187008 1.817201 
1 1 1   11    6  -42 o   71.540   0.8160  688.060   15.680  675.151   21.998  701.392   22.356   70.827   1.1564   72.191   1.1530 -1.363762 1.632961 
1 1 1   11    6  -41 o   59.247   0.7834  471.831   12.467  469.545   17.571  474.148   17.690   59.076   1.1074   59.365   1.1095 -0.2886276 1.567532 
1 1 1   11    6  -40 o   25.824   1.0022   89.676   6.9514   90.861   9.7832   88.469   9.8792   25.939   1.4095   25.590   1.4432 0.3481903 2.017320 
1 1 1   11    6  -39 o   25.621   1.2176   88.307   8.3786  102.141   14.892   81.900   10.135   27.438   2.0353   24.613   1.5408 2.824366 2.552763 
1 1 1   11    6  -38 o   29.381   0.8266  116.013   6.5230  110.706   9.0492  121.754   9.4112   28.691   1.1743   30.089   1.1645 -1.397947 1.653784 
1 1 1   11    6  -37 o   22.316   0.9710   66.938   5.8202   67.218   7.9044   66.606   8.6017   22.316   1.3247   22.202   1.4504 0.1134415 1.964306 
1 1 1   11    6  -36 o   45.072   0.8501  272.980   10.292  268.914   13.902  277.909   15.308   44.724   1.1573   45.462   1.2537 -0.7376671 1.706190 
1 1 1   11    6  -35 o  120.074   1.1070  1937.97   35.701  1942.87   48.314  1932.07   52.986  120.182   1.4967  119.827   1.6463 0.3549194 2.224984 
1 1 1   11    6  -34 o  100.457   0.9799  1356.13   26.440  1350.85   35.635  1362.59   39.436  100.235   1.3236  100.657   1.4587 -0.4220276 1.969695 
1 1 1   11    6  -33 o   66.273   0.8377  590.104   14.912  625.751   23.887  567.339   19.089   68.225   1.3035   64.973   1.0938 3.252228 1.701677 
1 1 1   11    6  -32 o   31.588   0.8241  134.056   6.9922  131.147   10.584  136.309   9.3139   31.236   1.2616   31.848   1.0888 -0.6124096 1.666487 
1 1 1   11    6  -31 o   75.025   1.0367  756.330   20.891  738.035   31.526  770.654   27.895   74.085   1.5843   75.717   1.3716 -1.631462 2.095590 
1 1 1   11    6  -30 o  142.411   1.3144  2725.74   50.277  2750.01   79.751  2709.74   64.770  142.962   2.0769  141.956   1.6987 1.005539 2.683167 
1 1 1   11    6  -29 o   45.515   0.7541  278.271   9.2190  281.116   12.157  274.422   14.142   45.743   0.9895   45.192   1.1651 0.5512085 1.528558 
1 1 1   11    6  -28 o  114.996   1.1718  1776.76   36.192  1760.57   44.079  1810.26   63.406  114.458   1.4338  116.021   2.0347 -1.563072 2.489163 
1 1 1   11    6  -27 o   54.557   0.9679  399.833   14.183  413.104   18.901  382.731   21.456   55.449   1.2691   53.367   1.4969 2.082260 1.962438 
1 1 1   11    6  -26 o   45.529   0.7276  278.420   8.8976  267.561   12.888  288.308   12.299   44.629   1.0752   46.328   0.9884 -1.699043 1.460458 
1 1 1   11    6  -25 o  108.080   1.1127  1569.19   32.301  1650.51   44.087  1474.93   47.462  110.833   1.4810  104.764   1.6867 6.068840 2.244606 
1 1 1   11    6  -24 o  139.510   1.1735  2614.52   43.972  2544.26   56.524  2722.22   69.979  137.609   1.5293  142.325   1.8306 -4.716461 2.385350 
1 1 1   11    6  -23 o  118.191   1.2518  1876.54   39.740  1909.92   50.482  1822.16   64.440  119.228   1.5764  116.437   2.0605 2.790573 2.594363 
1 1 1   11    6  -22 o  152.571   1.2120  3126.90   49.668  3069.87   66.762  3197.59   74.329  151.158   1.6444  154.264   1.7939 -3.105820 2.433555 
1 1 1   11    6  -21 o  239.589   1.8914  7713.19  121.717  7783.20  172.934  7644.46  171.346  240.607   2.6760  238.453   2.6753 2.154037 3.783938 
1 1 1   11    6  -20 f  209.535   1.8287  5899.04  102.921  5845.88  132.107  5981.15  164.165  208.556   2.3584  210.912   2.8979 -2.356659 3.736284 
1 1 1   11    6  -19 o   97.718   1.0915  1282.58   28.648  1300.18   40.653  1265.21   40.378   98.379   1.5385   97.047   1.5491 1.332115 2.183245 
1 1 1   11    6  -18 o  223.430   1.9386  6707.36  116.340  6677.35  183.235  6727.63  150.586  222.851   3.0613  223.732   2.5059 -0.8811035 3.956126 
1 1 1   11    6  -17 o  122.366   1.0522  2011.13   34.583  2010.85   48.848  2011.41   48.969  122.349   1.4865  122.366   1.4899 -0.1686859E-01 2.104626 
1 1 1   11    6  -16 o  149.329   1.2356  2995.19   49.557  2957.74   69.516  3033.90   70.666  148.379   1.7443  150.277   1.7508 -1.898087 2.471396 
1 1 1   11    6  -15 o  129.967   1.1023  2268.74   38.477  2263.96   54.315  2273.54   54.516  129.821   1.5577  130.095   1.5602 -0.2743835 2.204665 
1 1 1   11    6  -14 o  172.526   1.3991  3998.21   64.834  3995.97   91.586  4000.46   91.793  172.460   1.9772  172.556   1.9806 -0.9666443E-01 2.798566 
1 1 1   11    6  -13 f   93.538   0.9984  1175.11   25.082  1181.91   30.783  1161.70   43.267   93.805   1.2218   92.992   1.7323 0.8130722 2.119781 
1 1 1   11    6  -12 o  168.345   1.4980  3806.83   67.731  3772.00   86.999  3860.43  107.920  167.559   1.9331  169.495   2.3706 -1.935654 3.058827 
1 1 1   11    6  -11 o  268.175   2.2994  9663.31  165.626  9611.67  260.822  9698.20  214.402  267.352   3.6322  268.611   2.9718 -1.258820 4.692990 
1 1 1   11    6  -10 o  392.308   3.3215 20691.68  349.993 20511.00  550.046 20814.61  453.686  390.269   5.2474  393.326   4.2945 -3.056610 6.780681 
1 1 1   11    6   -9 o  192.300   1.6867  4967.52   87.116  4807.74  134.882  5081.88  114.108  189.144   2.6550  194.483   2.1845 -5.339020 3.438169 
1 1 1   11    6   -8 f  146.632   1.2137  2887.87   47.802  2911.32   67.887  2864.81   67.322  147.216   1.7169  146.035   1.7163 1.180725 2.427659 
1 1 1   11    6   -7 o  251.432   1.9741  8492.84  133.318  8393.53  187.165  8595.12  189.947  249.915   2.7883  252.898   2.7964 -2.982880 3.948955 
1 1 1   11    6   -6 f  305.804   2.3794 12564.81  195.438 12727.29  278.680 12407.56  274.158  307.701   3.3720  303.813   3.3597 3.888611 4.760030 
1 1 1   11    6   -5 o   59.272   0.8907  471.833   14.181  469.335   18.753  475.169   21.671   59.113   1.1811   59.479   1.3565 -0.3652115 1.798663 
1 1 1   11    6   -4 o  323.254   2.7511 14041.23  238.859 14201.83  310.673 13809.04  373.548  325.032   3.5587  320.429   4.3403 4.603394 5.612702 
1 1 1   11    6   -3 o  225.369   1.7814  6822.69  107.832  6771.97  151.820  6874.33  153.185  224.503   2.5178  226.193   2.5214 -1.690063 3.563236 
1 1 1   11    6   -2 o  216.688   1.7176  6307.08   99.968  6352.03  142.030  6262.95  140.730  217.435   2.4320  215.905   2.4268 1.529739 3.435665 
1 1 1   11    6   -1 o  300.835   2.3429 12158.86  189.314 12365.29  270.550 11960.82  264.997  303.316   3.3209  298.315   3.3073 5.000916 4.686878 
1 1 1   11    6    0 o  387.783   2.9964 20208.08  312.087 20026.46  438.736 20394.11  444.026  385.911   4.2328  389.436   4.2450 -3.524750 5.994713 
1 1 1   11    6    1 o  254.188   2.1852  8680.12  149.189  8676.78  210.974  8683.45  210.996  254.095   3.0913  254.193   3.0904 -0.9764099E-01 4.371141 
1 1 1   11    6    2 o  515.872   4.5835 35795.00  635.079 36041.38  1105.13 35673.52  776.011  516.832   7.9611  514.795   5.6123 2.037109 9.740464 
1 1 1   11    6    3 o  158.376   1.8333  3369.40   77.985  3350.97  134.749  3378.68   95.627  157.902   3.1772  158.584   2.2451 -0.6819153 3.890357 
1 1 1   11    6    4 o  296.463   2.6679 11809.83  212.436 11776.00  318.008 11837.10  285.478  295.935   4.0008  296.739   3.5818 -0.8035278 5.369936 
1 1 1   11    6    5 o  252.011   2.0670  8532.00  139.914  8657.34  209.482  8431.05  187.994  253.802   3.0730  250.480   2.7943 3.322311 4.153493 
1 1 1   11    6    6 f  486.633   3.7463 31840.36  489.660 31845.05  692.693 31835.68  692.275  486.381   5.3024  486.310   5.3000 0.7107544E-01 7.497002 
1 1 1   11    6    7 o  149.830   1.3546  3015.28   54.513  2946.89   76.088  3087.42   78.139  148.109   1.9127  151.599   1.9190 -3.490143 2.709439 
1 1 1   11    6    8 f   55.734   0.6774  417.177   10.140  431.538   14.456  403.269   14.227   56.684   0.9495   54.796   0.9666 1.888119 1.354985 
1 1 1   11    6    9 o  188.852   1.5157  4790.75   76.884  4807.98  108.939  4773.66  108.524  189.171   2.1441  188.495   2.1436 0.6762543 3.031801 
1 1 1   11    6   10 o   70.840   0.7403  673.978   14.085  676.382   19.871  671.550   19.969   70.965   1.0425   70.711   1.0514 0.2539902 1.480647 
1 1 1   11    6   11 o  107.534   1.0403  1553.10   30.048  1507.13   41.791  1602.31   43.234  105.925   1.4689  109.218   1.4738 -3.293526 2.080798 
1 1 1   11    6   12 o  403.646   3.1183 21903.42  338.073 21669.45  474.662 22144.32  481.630  401.279   4.4040  405.649   4.4205 -4.369995 6.239861 
1 1 1   11    6   13 f  204.978   1.7073  5644.35   93.996  5742.96  140.787  5565.04  126.258  206.722   2.5356  203.506   2.3099 3.215271 3.430001 
1 1 1   11    6   14 o  121.552   1.4699  1984.67   47.988  2113.69   85.427  1925.19   58.005  125.411   2.5361  119.710   1.8040 5.701576 3.112301 
1 1 1   11    6   15 o  127.338   1.1892  2177.95   40.674  2180.70   64.197  2176.11   52.572  127.403   1.8760  127.278   1.5378 0.1256866 2.425780 
1 1 1   11    6   16 o  133.769   1.1791  2403.49   42.364  2390.72   62.510  2414.33   57.614  133.400   1.7446  134.061   1.6001 -0.6609192 2.367239 
1 1 1   11    6   17 o  146.565   1.2733  2885.41   50.123  2886.00   74.296  2884.92   67.904  146.563   1.8873  146.541   1.7252 0.2235413E-01 2.557029 
1 1 1   11    6   18 o  355.543   2.7568 16992.70  263.266 17262.49  376.120 16733.55  368.622  358.181   3.9096  352.654   3.8917 5.527039 5.516361 
1 1 1   11    6   19 o   59.180   0.7808  470.380   12.411  478.956   19.385  464.423   16.157   59.714   1.2086   58.802   1.0230 0.9112740 1.583453 
1 1 1   11    6   20 f   96.684   1.1009  1255.59   28.590  1188.46   45.102  1300.69   36.965   94.051   1.7854   98.400   1.3986 -4.349358 2.268019 
1 1 1   11    6   21 o   51.114   0.8704  350.909   11.949  321.920   16.581  382.236   17.236   48.954   1.2610   53.344   1.2030 -4.389927 1.742822 
1 1 1   11    6   22 o  113.920   1.1056  1743.21   33.829  1734.34   53.469  1749.14   43.684  113.612   1.7522  114.106   1.4254 -0.4938202 2.258738 
1 1 1   11    6   23 o  140.235   1.2984  2641.85   48.906  2685.16   77.947  2613.74   62.808  141.346   2.0532  139.472   1.6766 1.874161 2.650749 
1 1 1   11    6   24 o  271.010   2.4584  9875.76  178.947  9760.85  266.252  9970.43  241.670  269.221   3.6821  272.169   3.3059 -2.948303 4.948402 
1 1 1   11    6   25 o  114.481   1.0623  1760.52   32.666  1788.63   48.675  1737.49   44.061  115.373   1.5708  113.717   1.4426 1.656387 2.132667 
1 1 1   11    6   26 o   39.012   0.7642  204.423   8.0076  197.210   11.730  210.718   10.958   38.314   1.1398   39.606   1.0301 -1.291744 1.536352 
1 1 1   11    6   27 o  104.495   0.9521  1466.81   26.722  1470.17   37.788  1463.44   37.793  104.601   1.3450  104.362   1.3483 0.2398758 1.904440 
1 1 1   11    6   28 o   49.767   0.7940  332.693   10.614  338.223   14.982  327.122   15.039   50.174   1.1117   49.343   1.1347 0.8306808 1.588561 
1 1 1   11    6   29 o   91.032   0.8770  1113.22   21.444  1093.04   30.021  1134.24   30.640   90.190   1.2393   91.874   1.2417 -1.683960 1.754309 
1 1 1   11    6   30 o  101.185   1.0231  1375.62   27.806  1399.96   39.890  1352.62   38.779  102.052   1.4553  100.313   1.4393 1.739372 2.046825 
1 1 1   11    6   31 o  100.114   1.0112  1346.71   27.191  1332.40   38.227  1361.35   38.685   99.555   1.4296  100.631   1.4313 -1.075623 2.022917 
1 1 1   11    6   32 o  126.086   1.0968  2136.43   37.143  2165.68   52.845  2107.86   52.217  126.903   1.5504  125.198   1.5528 1.705704 2.194306 
1 1 1   11    6   33 o   26.489   0.9155   94.283   6.5140   96.398   9.1252   92.085   9.3017   26.779   1.2687   26.138   1.3293 0.6408615 1.837597 
1 1 1   11    6   34 o   56.480   0.7511  428.557   11.395  417.427   15.900  440.307   16.338   55.731   1.0622   57.238   1.0627 -1.506935 1.502561 
1 1 1   11    6   35 o   60.618   0.8617  493.746   14.030  469.225   20.816  514.160   18.993   59.073   1.3120   61.846   1.1434 -2.773170 1.740274 
1 1 1   11    6   36 o   33.862   0.9464  154.096   8.6075  141.456   12.072  167.166   12.276   32.430   1.3860   35.257   1.2963 -2.827473 1.897719 
1 1 1   11    6   37 o   26.825   1.0047   96.726   7.2388   97.443   9.1173   95.503   11.907   26.918   1.2611   26.581   1.6763 0.3361931 2.097702 
1 1 1   11    6   38 o   20.038   1.1141   54.158   5.9724   51.871   8.1342   56.834   8.7971   19.567   1.5607   20.482   1.6122 -0.9148293 2.243854 
1 1 1   11    6   39 o   59.474   0.7627  475.351   12.183  479.437   15.935  469.603   18.901   59.715   0.9935   59.085   1.1910 0.6305237 1.551001 
1 1 1   11    6   40 o   27.847   0.9774  104.276   7.3102  100.268   8.9828  112.136   12.579   27.297   1.2252   28.799   1.6329 -1.502274 2.041432 
1 1 1   11    6   41 o   15.416   1.4527   32.296   5.9441   39.547   7.7696   22.061   9.2305   17.037   1.7215   12.501   2.8166 4.536324 3.301059 
1 1 1   11    6   42 o   60.958   0.9704  499.780   15.888  476.909   23.122  520.241   21.869   59.491   1.4471   62.154   1.3100 -2.662880 1.951952 
1 1 1   11    6   43 o   51.343   0.9232  354.534   12.731  370.094   18.521  340.598   17.528   52.417   1.3155   50.287   1.2977 2.130199 1.847856 
1 1 1   11    6   44 o   24.151   1.0442   78.486   6.7732   76.386   9.4859   80.671   9.6743   23.754   1.4944   24.416   1.4823 -0.6612835 2.104822 
1 1 1   11    6   45 o   41.827   0.8247  235.261   9.2649  222.294   12.981  248.724   13.227   40.628   1.1896   42.980   1.1458 -2.351768 1.651664 
1 1 1   11    6   46 o   29.787   0.9395  119.377   7.5164  117.021   10.495  121.857   10.770   29.464   1.3262   30.066   1.3336 -0.6019859 1.880810 
1 1 1   11    6   47 o   30.121   0.9597  122.109   7.7641  118.195   10.861  126.199   11.103   29.602   1.3661   30.589   1.3514 -0.9872456 1.921552 
1 1 1   11    6   48 o   24.346   1.1881   79.895   7.7690   73.231   12.090   84.582   10.140   23.156   1.9623   24.976   1.5187 -1.820637 2.481374 
1 1 1   11    6   49 o   10.251   2.6354   14.927   7.2966   11.035   10.388   18.717   10.251   9.4356   3.3120   11.472   3.2038 -2.036411 4.608057 
1 1 1   11    6   50 o   4.4148   2.0715  -6.3826   6.2201 -16.6202   8.9000   3.3929   8.6968   4.5266   2.2122   7.2209   2.9115 -2.694274 3.656620 
1 1 1   11    6   51 o   32.387   1.2289  141.510   10.690  146.083   15.194  137.028   15.043   32.789   1.7314   31.745   1.7713 1.043982 2.477000 
1 1 1   11    6   52 o   28.043   1.1629  106.045   8.7587  103.811   12.218  108.407   12.562   27.640   1.6534   28.245   1.6633 -0.6051559 2.345254 
1 1 1   11    6   53 o   17.492   1.7032   41.851   7.9002   40.006   11.956   43.282   10.525   16.859   2.7341   17.669   2.2703 -0.8105431 3.553793 
1 1 1   11    6   54 o   9.7356   2.6111   13.481   6.9686   2.5854   9.7174   25.017   9.9988   7.3603   3.0361   13.212   2.8975 -5.851253 4.196796 
1 1 1   11    6   55 o   20.930   1.4171   59.569   7.9193   69.243   10.991   49.122   11.421   22.484   1.8360   18.793   2.3114 3.690432 2.951821 
1 1 1   11    6   56 o   10.789   2.8707   16.813   8.4647   21.453   12.741   13.147   11.325   12.150   3.6275   9.9948   3.4610 2.154685 5.013693 
1 1 1   11    6   57 o   19.716   1.9818   53.851   10.353   49.943   16.968   56.169   13.067   18.381   3.5656   19.969   2.4903 -1.587849 4.349204 
1 1 1   11    6   58 o   21.930   1.8068   66.388   10.547   56.608   13.295   82.993   17.325   19.974   2.5353   24.149   2.7182 -4.175173 3.717087 
1 1 1   11    6   59 o   23.710   1.6554   77.432   10.476   88.414   15.655   68.525   14.098   25.034   2.3559   21.981   2.4284 3.052694 3.383439 
1 1 1   11    6   60 o   24.597   2.4863   86.437   16.200   68.715   20.121  119.100   27.315   21.182   3.6695   27.942   3.7330 -6.759693 5.234594 
1 1 1   11    7  -59 o   16.041   3.0495   38.224   12.658   45.901   17.961   30.649   17.842   17.096   3.9851   13.883   4.3223 3.213037 5.879047 
1 1 1   11    7  -58 o   12.351   3.9286   22.948   14.664 -23.9000   27.388   41.775   17.362   8.9413   4.2411   16.428   3.9774 -7.486896 5.814332 
1 1 1   11    7  -57 o   7.0889   3.2056  -5.4752   13.054  -8.0744   16.265  -0.7705   21.883   7.7173   3.5242   9.7893   4.3047 -2.071997 5.563336 
1 1 1   11    7  -56 o   6.3720   2.6975   0.8028   7.9757   7.5693   11.060  -6.5291   11.513   8.6611   3.3473   6.4987   2.9667 2.162363 4.472778 
1 1 1   11    7  -55 o   62.561   1.0039  527.965   16.869  517.759   24.462  537.220   23.294   61.794   1.4739   62.983   1.3770 -1.188911 2.016998 
1 1 1   11    7  -54 o   39.704   0.9272  212.400   9.8877  213.010   13.994  211.791   13.973   39.696   1.3125   39.581   1.3143 0.1141548 1.857447 
1 1 1   11    7  -53 o   15.442   2.0379   33.013   8.2456   35.826   11.707   30.245   11.615   15.892   2.8473   14.518   3.0746 1.374416 4.190466 
1 1 1   11    7  -52 f   15.357   1.6661   32.316   6.7618   27.682   10.697   35.400   8.7265   13.916   2.9532   15.997   2.0802 -2.080988 3.612250 
1 1 1   11    7  -51 o   63.794   0.9477  548.063   16.238  537.088   22.053  561.059   23.998   63.075   1.3017   64.444   1.3864 -1.369522 1.901751 
1 1 1   11    7  -50 o   15.162   1.7002   31.525   6.8047   37.454   9.3401   24.819   9.9340   16.447   2.1671   13.183   2.8856 3.263668 3.608746 
1 1 1   11    7  -49 o   30.987   1.0512  129.373   8.7493  129.139   12.080  129.631   12.689   30.913   1.4549   30.962   1.5259 -0.4920959E-01 2.108296 
1 1 1   11    7  -48 o   14.988   2.0052   31.026   7.8698   49.404   12.875   20.066   9.9434   18.832   2.6161   11.850   3.0916 6.982407 4.049952 
1 1 1   11    7  -47 o   62.414   0.9605  524.389   16.101  513.409   21.810  537.542   23.871   61.694   1.3162   63.107   1.4083 -1.413246 1.927588 
1 1 1   11    7  -46 o   22.720   1.1929   69.743   7.2544   63.469   9.3895   79.033   11.426   21.613   1.6294   24.107   1.7772 -2.493927 2.411122 
1 1 1   11    7  -45 o   68.786   0.8221  636.335   15.189  639.654   21.535  633.050   21.428   68.916   1.1634   68.559   1.1636 0.3567581 1.645461 
1 1 1   11    7  -44 o   18.623   1.2251   46.915   6.0939   42.344   8.6765   51.364   8.5609   17.601   1.8637   19.435   1.6557 -1.834824 2.492992 
1 1 1   11    7  -43 o   26.581   1.0296   95.068   7.3505   81.323   11.207  105.443   9.7373   24.483   1.7152   27.978   1.2958 -3.494659 2.149613 
1 1 1   11    7  -42 o   32.047   0.8532  138.096   7.3438  143.543   10.346  132.564   10.426   32.654   1.1796   31.377   1.2372 1.277422 1.709377 
1 1 1   11    7  -41 o   19.475   1.1035   51.198   5.7484   52.085   8.1168   50.306   8.1423   19.595   1.5550   19.250   1.5890 0.3442383 2.223269 
1 1 1   11    7  -40 o   55.823   0.7720  418.866   11.575  413.891   16.126  424.155   16.626   55.468   1.0824   56.149   1.1024 -0.6817436 1.544967 
1 1 1   11    7  -39 o   56.052   0.8352  422.319   12.574  428.178   17.618  416.236   17.951   56.415   1.1627   55.620   1.2016 0.7956123 1.672044 
1 1 1   11    7  -38 f   47.183   0.8702  299.235   11.029  276.048   20.499  308.681   13.083   45.264   1.6861   47.914   1.0166 -2.650509 1.968893 
1 1 1   11    7  -37 o   95.673   0.9608  1230.39   24.689  1232.15   36.650  1228.92   33.407   95.688   1.4260   95.579   1.3013 0.1092377 1.930526 
1 1 1   11    7  -36 o   37.857   0.9268  192.614   9.4236  194.431   12.105  189.817   15.015   38.026   1.1852   37.559   1.4884 0.4674530 1.902600 
1 1 1   11    7  -35 f   75.057   0.8839  757.027   17.818  750.413   22.762  767.494   28.635   74.713   1.1343   75.537   1.4114 -0.8241806 1.810666 
1 1 1   11    7  -34 o   42.125   0.8249  238.426   9.3331  235.089   13.204  241.758   13.194   41.818   1.1756   42.408   1.1583 -0.5896835 1.650364 
1 1 1   11    7  -33 o  122.318   1.0713  2010.84   35.196  2046.29   50.212  1976.59   49.350  123.344   1.5156  121.225   1.5157 2.118874 2.143452 
1 1 1   11    7  -32 o  131.385   1.2361  2320.41   43.619  2342.11   68.985  2305.96   56.304  131.904   1.9472  130.933   1.6010 0.9716797 2.520845 
1 1 1   11    7  -31 o  115.197   1.1821  1783.58   36.576  1744.33   62.426  1804.09   45.134  113.834   2.0418  115.835   1.4507 -2.001213 2.504652 
1 1 1   11    7  -30 o  133.126   1.3941  2382.42   49.847  2407.89   81.605  2367.26   62.956  133.726   2.2720  132.662   1.7669 1.064224 2.878160 
1 1 1   11    7  -29 o   50.728   0.7355  345.669   10.022  353.042   14.522  338.963   13.848   51.259   1.0547   50.228   1.0265 1.031818 1.471800 
1 1 1   11    7  -28 o   27.195   0.7820   99.346   5.7122   96.714   6.9399  104.876   10.058   26.831   0.9630   27.935   1.3406 -1.104456 1.650599 
1 1 1   11    7  -27 o   52.721   0.8107  373.354   11.480  373.186   12.803  374.044   25.934   52.707   0.9044   52.745   1.8306 -0.3740692E-01 2.041839 
1 1 1   11    7  -26 o  165.516   1.3570  3681.16   60.328  3655.80   78.499  3717.76   94.288  164.912   1.7722  166.271   2.1113 -1.358429 2.756504 
1 1 1   11    7  -25 o   46.052   0.7135  284.853   8.8255  281.790   11.612  289.044   13.580   45.802   0.9439   46.385   1.0900 -0.5839615 1.441916 
1 1 1   11    7  -24 f  102.942   1.0305  1423.50   28.493  1425.10   40.038  1421.85   40.558  102.987   1.4474  102.869   1.4679 0.1183167 2.061498 
1 1 1   11    7  -23 o   49.125   0.7825  324.131   10.325  314.390   13.614  337.322   15.841   48.378   1.0477   50.110   1.1770 -1.731789 1.575738 
1 1 1   11    7  -22 o  165.092   1.3515  3661.59   59.928  3679.35   84.899  3643.96   84.603  165.463   1.9103  164.665   1.9129 0.7978973 2.703431 
1 1 1   11    7  -21 o  207.409   1.6559  5780.00   92.248  5809.77  130.756  5750.50  130.163  207.892   2.3417  206.829   2.3431 1.063171 3.312627 
1 1 1   11    7  -20 o  181.980   1.4707  4449.00   71.887  4408.39  101.030  4490.65  102.309  181.116   2.0768  182.798   2.0838 -1.681519 2.941994 
1 1 1   11    7  -19 o  226.091   1.8706  6868.39  113.593  7045.22  156.221  6670.01  165.467  228.932   2.5406  222.732   2.7659 6.199478 3.755650 
1 1 1   11    7  -18 o  115.208   1.2289  1782.86   38.028  1805.62   53.972  1760.43   53.590  115.929   1.7334  114.468   1.7430 1.460197 2.458180 
1 1 1   11    7  -17 o  189.090   1.7543  4803.70   89.095  4732.90  132.219  4862.58  120.581  187.644   2.6234  190.214   2.3602 -2.569687 3.528855 
1 1 1   11    7  -16 o   71.765   0.7897  691.712   15.221  694.270   22.652  689.606   20.553   71.894   1.1730   71.654   1.0679 0.2408142 1.586341 
1 1 1   11    7  -15 o  149.020   1.2890  2982.89   51.591  2971.23   69.666  2997.05   76.774  148.715   1.7441  149.355   1.9138 -0.6391754 2.589326 
1 1 1   11    7  -14 o  295.703   2.3067 11750.25  183.208 11727.33  258.510 11773.38  259.685  295.323   3.2590  295.901   3.2674 -0.5782776 4.614921 
1 1 1   11    7  -13 o  457.325   3.5275 28127.54  433.295 27624.11  604.885 28658.11  620.974  452.895   4.9726  461.283   5.0120 -8.387878 7.060251 
1 1 1   11    7  -12 o  179.353   1.5123  4321.07   72.850  4280.04   98.025  4371.69  108.880  178.480   2.0448  180.373   2.2474 -1.892014 3.038454 
1 1 1   11    7  -11 o  332.103   2.8248 14824.87  251.974 14750.26  324.095 14938.88  400.645  331.169   3.6436  333.155   4.4774 -1.985840 5.772567 
1 1 1   11    7  -10 o  136.247   1.1438  2493.30   41.858  2519.89   59.519  2467.28   58.880  136.961   1.6179  135.524   1.6175 1.437088 2.287838 
1 1 1   11    7   -9 o  132.624   1.1182  2362.48   39.832  2357.51   56.273  2367.47   56.390  132.476   1.5815  132.755   1.5814 -0.2792664 2.236539 
1 1 1   11    7   -8 o  226.539   1.9613  6894.65  119.338  6937.06  189.363  6866.71  153.702  227.169   3.1035  226.050   2.5315 1.118484 4.005058 
1 1 1   11    7   -7 o  117.478   1.1717  1853.68   36.973  1785.60   54.232  1912.80   50.538  115.291   1.7513  119.330   1.5768 -4.039078 2.356564 
1 1 1   11    7   -6 o   42.478   0.7952  242.335   9.0725  238.908   12.510  246.137   13.177   42.175   1.1043   42.808   1.1460 -0.6331673 1.591522 
1 1 1   11    7   -5 o  107.686   1.0991  1557.50   31.790  1545.34   47.371  1567.47   42.879  107.256   1.6444  108.024   1.4779 -0.7681580 2.210884 
1 1 1   11    7   -4 o  267.007   2.2898  9579.14  164.214  9722.10  261.985  9486.63  210.753  268.889   3.6275  265.670   2.9535 3.219452 4.677845 
1 1 1   11    7   -3 o  151.126   1.2457  3067.64   50.566  3103.36   72.042  3032.96   70.992  151.992   1.7647  150.258   1.7590 1.733612 2.491664 
1 1 1   11    7   -2 o  114.030   0.9929  1746.37   30.411  1799.47   43.748  1696.72   42.303  115.745   1.4072  112.392   1.4013 3.353043 1.985963 
1 1 1   11    7   -1 o   35.510   0.7824  169.352   7.4618  162.831   11.392  174.252   9.8750   34.818   1.2182   36.019   1.0207 -1.201134 1.589275 
1 1 1   11    7    0 o   91.867   1.2055  1133.56   29.746  1120.87   42.071  1146.24   42.063   91.346   1.7148   92.374   1.6953 -1.028122 2.411339 
1 1 1   11    7    1 o  235.960   2.1481  7480.39  136.138  7400.83  202.871  7545.57  183.622  234.640   3.2190  236.945   2.8853 -2.305542 4.322838 
1 1 1   11    7    2 o  198.253   1.7347  5279.88   92.369  5253.70  145.717  5297.46  119.430  197.719   2.7439  198.564   2.2393 -0.8450012 3.541693 
1 1 1   11    7    3 o  245.300   2.0154  8083.94  132.784  8231.18  199.258  7966.33  178.089  247.466   2.9978  243.470   2.7233 3.995651 4.050133 
1 1 1   11    7    4 o  135.637   1.3940  2471.17   50.784  2562.50   84.794  2420.09   63.415  138.099   2.2860  134.221   1.7591 3.878372 2.884490 
1 1 1   11    7    5 o  148.420   1.5035  2959.00   59.936  2938.45   97.556  2971.45   75.963  147.876   2.4562  148.722   1.9017 -0.8456726 3.106326 
1 1 1   11    7    6 o  190.213   1.5942  4860.21   81.445  4887.44  121.288  4837.84  109.913  190.716   2.3678  189.755   2.1566 0.9610596 3.202671 
1 1 1   11    7    7 o  145.833   1.3243  2856.57   51.870  2900.40   74.055  2814.36   72.676  146.934   1.8765  144.739   1.8695 2.195801 2.648764 
1 1 1   11    7    8 o   76.607   0.8064  788.175   16.593  808.489   24.939  772.039   22.227   77.585   1.1968   75.816   1.0915 1.768150 1.619782 
1 1 1   11    7    9 o   59.677   0.7548  478.302   12.098  474.379   18.833  481.058   15.786   59.429   1.1798   59.847   0.9821 -0.4182625 1.535081 
1 1 1   11    7   10 o  170.040   1.5124  3883.93   69.073  3823.08  108.077  3925.94   89.809  168.671   2.3856  170.943   1.9560 -2.271484 3.085009 
1 1 1   11    7   11 o  102.156   1.0058  1401.64   27.598  1381.65   43.117  1415.52   35.921  101.416   1.5829  102.656   1.3028 -1.240128 2.050052 
1 1 1   11    7   12 o   47.268   0.7512  300.067   9.5373  297.350   12.628  303.675   14.551   47.052   0.9993   47.549   1.1393 -0.4969940 1.515444 
1 1 1   11    7   13 o  122.710   1.1532  2022.50   38.009  2033.73   49.299  2006.04   59.682  123.044   1.4917  122.196   1.8184 0.8481293 2.351998 
1 1 1   11    7   14 o  110.358   0.9745  1635.74   28.885  1682.25   41.386  1591.57   40.332  111.909   1.3769  108.851   1.3795 3.058128 1.949067 
1 1 1   11    7   15 o  261.489   2.0515  9187.38  144.087  9179.42  203.645  9195.37  203.896  261.309   2.9015  261.536   2.9026 -0.2268982 4.104136 
1 1 1   11    7   16 o  164.679   1.3462  3642.82   59.542  3680.29   84.652  3606.13   83.765  165.505   1.9043  163.829   1.9036 1.675797 2.692616 
1 1 1   11    7   17 o  225.833   1.7892  6852.07  108.528  6930.85  154.518  6775.37  152.466  227.079   2.5334  224.518   2.5283 2.561142 3.579205 
1 1 1   11    7   18 o  157.282   1.4922  3323.20   63.039  3329.63   94.567  3318.06   84.569  157.404   2.2368  157.141   2.0037 0.2628937 3.003021 
1 1 1   11    7   19 o   85.312   1.0813  977.587   24.777  1002.22   33.059  946.012   37.427   86.374   1.4250   83.913   1.6606 2.461716 2.188202 
1 1 1   11    7   20 o  258.284   2.0302  8964.92  140.840  9061.11  200.527  8871.28  197.856  259.578   2.8762  256.846   2.8680 2.732605 4.061766 
1 1 1   11    7   21 o  137.064   1.3376  2523.74   49.243  2522.62   73.619  2524.64   66.243  137.007   2.0006  137.071   1.7993 -0.6390381E-01 2.690691 
1 1 1   11    7   22 o  265.319   2.4073  9464.26  171.552  9804.10  235.316  9078.75  250.631  269.916   3.2459  259.680   3.5934 10.23633 4.842317 
1 1 1   11    7   23 o   84.559   1.2146  960.557   27.587  952.066   38.983  969.074   39.043   84.171   1.7243   84.920   1.7118 -0.7488632 2.429706 
1 1 1   11    7   24 f   88.013   0.8975  1040.50   21.216  1030.51   31.333  1048.96   28.831   87.580   1.3320   88.363   1.2148 -0.7838745 1.802747 
1 1 1   11    7   25 o   89.148   0.9925  1067.58   23.765  1068.65   32.027  1066.27   35.451   89.183   1.3370   89.079   1.4817 0.1044083 1.995770 
1 1 1   11    7   26 o  168.648   1.4457  3822.08   65.486  3804.18  108.078  3832.46   82.317  168.160   2.3929  168.846   1.8151 -0.6861725 3.003430 
1 1 1   11    7   27 o   36.982   0.8192  183.715   8.1372  165.477   11.125  204.702   11.934   35.094   1.1802   39.033   1.1383 -3.939037 1.639683 
1 1 1   11    7   28 o   39.876   0.7296  213.591   7.8144  206.951   10.898  220.618   11.211   39.247   1.0338   40.523   1.0300 -1.275295 1.459374 
1 1 1   11    7   29 o   78.869   0.8138  835.619   17.238  827.742   24.168  843.776   24.595   78.485   1.1465   79.241   1.1556 -0.7561798 1.627807 
1 1 1   11    7   30 o  146.918   1.2334  2901.00   48.672  2890.58   68.630  2911.54   69.036  146.597   1.7430  147.127   1.7470 -0.5299530 2.467797 
1 1 1   11    7   31 o   82.263   0.8378  909.171   18.511  887.703   25.842  931.795   26.529   81.270   1.1839   83.264   1.1862 -1.993752 1.675911 
1 1 1   11    7   32 o   75.581   0.8701  767.532   17.664  767.205   24.971  767.859   24.991   75.547   1.2306   75.580   1.2311 -0.3215027E-01 1.740682 
1 1 1   11    7   33 o   20.173   1.0196   54.831   5.5067   60.264   7.7621   49.326   7.8134   21.125   1.3755   19.088   1.5370 2.037224 2.062608 
1 1 1   11    7   34 o   74.276   0.8763  741.315   17.482  744.229   27.304  739.290   22.759   74.392   1.3665   74.160   1.1426 0.2320251 1.781256 
1 1 1   11    7   35 f   74.469   0.8129  745.144   16.260  730.359   22.730  760.639   23.269   73.707   1.1482   75.219   1.1518 -1.512108 1.626300 
1 1 1   11    7   36 o   82.765   0.8484  920.513   18.860  914.545   26.395  926.738   26.958   82.470   1.1916   83.017   1.2090 -0.5463943 1.697544 
1 1 1   11    7   37 o   57.213   0.7323  439.823   11.253  448.315   15.117  429.270   16.853   57.750   0.9746   56.502   1.1105 1.247993 1.477478 
1 1 1   11    7   38 f   47.802   0.8395  307.116   10.778  300.844   13.532  318.001   17.826   47.299   1.0651   48.609   1.3654 -1.309635 1.731704 
1 1 1   11    7   39 o   49.583   0.9623  330.564   12.816  325.207   16.033  340.045   21.328   49.162   1.2142   50.237   1.5806 -1.075371 1.993170 
1 1 1   11    7   40 o   88.445   0.9806  1052.02   23.295  1050.46   32.967  1053.58   32.921   88.317   1.3898   88.449   1.3858 -0.1315842 1.962602 
1 1 1   11    7   41 o   61.819   0.9771  514.019   16.224  515.899   20.710  511.034   26.105   61.903   1.2456   61.564   1.5787 0.3390541 2.010935 
1 1 1   11    7   42 o   40.666   0.8516  222.368   9.3018  217.518   13.009  227.442   13.306   40.195   1.2049   41.102   1.2053 -0.9066315 1.704289 
1 1 1   11    7   43 o   75.012   0.8775  756.730   17.679  760.192   23.961  752.593   26.191   75.140   1.1873   74.743   1.3046 0.3964920 1.763992 
1 1 1   11    7   44 o   22.930   1.0746   70.772   6.6184   65.297   9.1873   76.678   9.5426   21.942   1.5693   23.796   1.5007 -1.853630 2.171344 
1 1 1   11    7   45 o   53.709   0.8453  387.977   12.193  400.030   18.304  378.361   16.349   54.488   1.2507   53.005   1.1484 1.482605 1.697948 
1 1 1   11    7   46 o   58.435   0.8136  459.273   12.769  442.294   17.870  476.986   18.253   57.299   1.1612   59.507   1.1420 -2.207733 1.628649 
1 1 1   11    7   47 o   34.230   0.9961  157.753   9.1578  161.742   14.056  154.811   12.072   34.603   1.5123   33.876   1.3267 0.7268448 2.011803 
1 1 1   11    7   48 o   17.133   1.6771   40.101   7.6189   38.547   10.958   41.555   10.600   16.614   2.5360   17.310   2.3400 -0.6951618 3.450608 
1 1 1   11    7   49 o   15.706   1.5974   33.713   6.6449   35.757   9.2883   31.571   9.5104   16.058   2.2123   15.018   2.4416 1.039361 3.294774 
1 1 1   11    7   50 o   8.1848   2.7115   8.7888   6.9460  -0.1170   9.0839   21.327   10.778   6.6559   2.8500   12.192   3.2372 -5.536097 4.313021 
1 1 1   11    7   51 o   11.908   2.2015   19.919   6.7819   13.875   9.3714   26.565   9.8271   10.031   3.1341   13.669   2.7714 -3.638259 4.183699 
1 1 1   11    7   52 f   30.289   0.9863  123.588   8.0236  123.380   12.087  123.752   10.728   30.204   1.4899   30.272   1.3195 -0.6843376E-01 1.990198 
1 1 1   11    7   53 o   20.479   1.5426   57.097   8.4227   53.939   10.573   62.580   13.933   19.806   2.0157   21.227   2.4912 -1.420942 3.204545 
1 1 1   11    7   54 o   19.032   1.6576   49.513   8.3886   58.267   13.383   43.848   10.766   20.449   2.4879   17.749   2.3134 2.700640 3.397237 
1 1 1   11    7   55 o   18.574   1.7681   47.379   8.7142   42.345   12.014   52.967   12.659   17.302   2.6712   19.452   2.4793 -2.149588 3.644466 
1 1 1   11    7   56 o   20.163   1.8753   56.057   10.039   65.406   15.237   48.885   13.346   21.512   2.6962   18.531   2.7660 2.981085 3.862674 
1 1 1   11    7   57 o   25.729   1.4608   90.355   10.054   93.055   13.946   87.433   14.507   25.925   2.0187   25.064   2.1765 0.8611069 2.968581 
1 1 1   11    7   58 o   48.367   1.2298  317.612   15.976  368.478   27.359  291.292   19.681   51.658   1.9719   46.153   1.5876 5.504871 2.531551 
1 1 1   11    7   59 o   6.9665   3.1378  -4.1146   12.365  -6.7710   17.170  -1.2525   17.822   7.9650   3.6309   8.7085   3.8545 -0.7434487 5.295378 
1 1 1   11    8  -59 o   17.441   3.2076   45.778   14.472   61.210   26.011   38.859   17.417   18.873   5.0374   15.544   4.1094 3.328981 6.500903 
1 1 1   11    8  -58 o   11.009   3.4765   17.977   11.499   23.398   16.069   12.286   16.463   12.415   4.1247   10.355   4.0610 2.060492 5.788317 
1 1 1   11    8  -57 o   8.9869   3.4691   8.7199   11.867   9.6142   16.706   7.8088   16.862   10.056   4.0421   9.8066   4.0168 0.2490005 5.698525 
1 1 1   11    8  -56 o   19.933   2.4111   55.899   12.646   51.708   19.919   58.728   16.368   18.413   4.1295   20.143   3.1267 -1.730066 5.179683 
1 1 1   11    8  -55 o   30.004   1.2598  121.860   10.152  124.610   13.789  118.604   15.003   30.195   1.7072   29.392   1.9108 0.8035965 2.562381 
1 1 1   11    8  -54 o   42.216   0.9698  240.291   10.997  243.244   14.670  236.503   16.615   42.410   1.2878   41.771   1.4809 0.6388092 1.962554 
1 1 1   11    8  -53 o   35.215   1.0151  167.181   9.6016  174.885   14.246  160.770   12.997   35.941   1.4758   34.474   1.4037 1.467793 2.036705 
1 1 1   11    8  -52 o   11.433   2.5953   18.642   7.7876   20.520   12.850   17.552   9.7907   12.026   3.6547   11.096   3.1425 0.9307604 4.820009 
1 1 1   11    8  -51 o   32.752   1.0250  144.546   9.0165  155.150   12.313  132.288   13.239   33.890   1.3527   31.221   1.5840 2.669331 2.083005 
1 1 1   11    8  -50 o   5.8844   2.4377   1.3271   6.3028  -2.2888   9.0749   4.6967   8.7604   6.2779   2.7660   7.5229   2.9585 -1.244950 4.050162 
1 1 1   11    8  -49 o   38.786   0.8823  202.514   9.1916  199.455   13.120  205.463   12.881   38.442   1.2707   39.023   1.2289 -0.5808945 1.767748 
1 1 1   11    8  -48 o   49.323   0.8807  327.459   11.668  328.670   17.685  326.525   15.526   49.341   1.3345   49.209   1.1747 0.1321220 1.777850 
1 1 1   11    8  -47 o   29.671   1.0688  118.605   8.5180  120.955   10.849  114.828   13.754   29.936   1.3493   29.063   1.7704 0.8731232 2.225975 
1 1 1   11    8  -46 o   7.1100   2.5964   5.6327   6.4532   3.4776   7.5346   11.566   12.502   6.8702   2.7304   9.9606   3.6174 -3.090347 4.532159 
1 1 1   11    8  -45 o   27.502   0.9688  101.798   7.1565  104.084   9.9203   99.316   10.334   27.783   1.3294   27.094   1.4250 0.6890068 1.948848 
1 1 1   11    8  -44 o   48.087   0.7895  310.952   10.197  322.113   14.442  299.854   14.400   48.913   1.0993   47.188   1.1362 1.724369 1.580904 
1 1 1   11    8  -43 o   42.576   0.8609  243.795   9.8450  257.699   15.278  233.922   12.874   43.733   1.3007   41.681   1.1500 2.051258 1.736170 
1 1 1   11    8  -42 o   62.725   0.8441  529.072   14.220  522.654   20.096  535.509   20.125   62.302   1.2009   63.065   1.1881 -0.7632904 1.689353 
1 1 1   11    8  -41 o   34.670   0.8197  161.615   7.6328  162.794   10.718  160.401   10.872   34.777   1.1475   34.519   1.1727 0.2583427 1.640685 
1 1 1   11    8  -40 o   22.502   1.0037   68.110   6.0659   71.667   8.3630   64.162   8.8116   23.027   1.3582   21.765   1.5168 1.261591 2.036014 
1 1 1   11    8  -39 o   36.102   0.8013  175.198   7.7700  166.852   10.697  184.521   11.306   35.215   1.1309   37.032   1.1366 -1.817307 1.603402 
1 1 1   11    8  -38 o   32.936   0.8886  145.832   7.8612  150.431   10.925  140.893   11.321   33.436   1.2165   32.354   1.3027 1.081886 1.782377 
1 1 1   11    8  -37 o   56.605   0.8699  430.674   13.225  425.161   24.729  432.882   15.651   56.179   1.6389   56.740   1.0270 -0.5608368 1.934074 
1 1 1   11    8  -36 o   58.002   0.7953  452.083   12.389  450.450   18.257  453.477   16.867   57.875   1.1745   58.075   1.0813 -0.2002678 1.596469 
1 1 1   11    8  -35 f   47.252   0.7961  300.023   10.103  302.142   12.972  296.757   16.107   47.410   1.0187   46.973   1.2767 0.4368324 1.633300 
1 1 1   11    8  -34 o   44.932   0.8339  271.277   10.064  270.013   12.394  273.723   17.245   44.820   1.0295   45.109   1.4233 -0.2891541 1.756630 
1 1 1   11    8  -33 o  127.612   1.1555  2189.14   39.604  2181.55   53.414  2198.40   59.021  127.338   1.5617  127.805   1.7194 -0.4665680 2.322751 
1 1 1   11    8  -32 o   69.817   0.7755  654.880   14.543  647.357   20.398  662.657   20.739   69.401   1.0943   70.216   1.0997 -0.8150101 1.551357 
1 1 1   11    8  -31 o   14.643   1.2348   29.030   4.8113   17.438   6.8663   40.212   6.7438   11.166   2.3632   17.230   1.4714 -6.063839 2.783809 
1 1 1   11    8  -30 o   75.215   0.8689  760.082   17.554  772.195   24.640  747.598   25.014   75.796   1.2103   74.577   1.2488 1.218971 1.739034 
1 1 1   11    8  -29 o   48.177   0.8645  311.830   11.186  319.760   15.178  302.402   16.550   48.778   1.1585   47.432   1.2991 1.346668 1.740649 
1 1 1   11    8  -28 o   34.413   0.7536  159.085   6.9652  159.967   8.5932  157.396   11.893   34.506   0.9272   34.221   1.2939 0.2849159 1.591793 
1 1 1   11    8  -27 o  117.630   1.0814  1859.14   34.165  1836.60   42.257  1901.68   58.056  116.900   1.3458  118.916   1.8177 -2.016411 2.261677 
1 1 1   11    8  -26 o  114.952   1.1713  1775.48   36.164  1772.21   44.219  1782.08   62.846  114.832   1.4337  115.108   2.0327 -0.2758942 2.487449 
1 1 1   11    8  -25 o  111.394   1.1466  1667.11   34.304  1637.93   41.490  1730.16   60.987  110.403   1.3992  113.432   2.0017 -3.028473 2.442270 
1 1 1   11    8  -24 o  113.666   1.0069  1735.58   30.741  1775.44   43.882  1697.17   43.078  114.947   1.4213  112.385   1.4271 2.562622 2.014138 
1 1 1   11    8  -23 o   33.767   0.7326  153.144   6.6447  167.646   9.2008  137.335   9.6064   35.328   0.9697   31.974   1.1186 3.353947 1.480382 
1 1 1   11    8  -22 f  226.318   1.7948  6883.62  109.098  6875.98  154.079  6891.30  154.499  226.109   2.5371  226.361   2.5412 -0.2512817 3.590852 
1 1 1   11    8  -21 o  132.982   1.1305  2375.55   40.378  2407.76   57.494  2344.20   56.719  133.863   1.5991  132.084   1.5988 1.778809 2.261214 
1 1 1   11    8  -20 o  268.225   2.1039  9669.93  151.569  9759.14  215.561  9582.69  213.162  269.346   2.9797  266.901   2.9735 2.445190 4.209525 
1 1 1   11    8  -19 o  152.159   1.4599  3110.43   59.664  3018.07   78.474  3236.94   91.850  149.862   1.9496  155.186   2.2036 -5.324707 2.942245 
1 1 1   11    8  -18 o  173.616   1.4106  4049.28   65.780  4138.43   94.170  3964.34   91.924  175.488   1.9979  171.758   1.9926 3.730347 2.821720 
1 1 1   11    8  -17 o  182.042   1.6966  4452.39   82.956  4442.31  123.988  4460.57  111.618  181.787   2.5394  182.177   2.2811 -0.3903198 3.413496 
1 1 1   11    8  -16 o  176.135   1.7458  4168.15   82.593  4263.34  118.220  4077.38  115.438  178.097   2.4714  174.169   2.4677 3.927185 3.492458 
1 1 1   11    8  -15 f  186.602   1.5689  4677.75   78.632  4612.67  105.516  4759.03  117.920  185.273   2.1204  188.178   2.3331 -2.904388 3.152652 
1 1 1   11    8  -14 o  205.049   1.6362  5648.42   90.111  5614.76  126.850  5682.71  128.031  204.402   2.3105  205.634   2.3181 -1.232590 3.272929 
1 1 1   11    8  -13 o  205.944   1.6423  5697.82   90.842  5718.12  128.625  5677.61  128.314  206.276   2.3216  205.544   2.3242 0.7321625 3.285082 
1 1 1   11    8  -12 o   74.211   0.7613  739.646   15.174  735.196   21.309  744.225   21.612   73.984   1.0723   74.437   1.0809 -0.4528275 1.522606 
1 1 1   11    8  -11 o   79.192   0.8608  842.298   18.309  850.083   25.879  834.497   25.907   79.554   1.2111   78.821   1.2237 0.7328262 1.721722 
1 1 1   11    8  -10 o  248.364   2.2548  8288.91  150.413  8368.29  185.362  8135.85  257.377  249.513   2.7659  245.916   3.8967 3.597641 4.778495 
1 1 1   11    8   -9 o  169.539   1.5106  3861.15   68.788  3891.77   89.111  3816.00  108.208  170.195   1.9494  168.512   2.3908 1.683502 3.084768 
1 1 1   11    8   -8 o   22.691   0.9597   69.154   5.8493   72.083   7.2911   63.866   9.7979   23.136   1.1772   21.738   1.6914 1.397949 2.060759 
1 1 1   11    8   -7 o   48.297   0.6883  313.281   8.9293  313.092   13.219  313.439   12.109   48.281   1.0194   48.309   0.9333 -0.2717972E-01 1.382074 
1 1 1   11    8   -6 o   40.254   0.6593  217.623   7.1282  211.065   10.088  224.160   10.073   39.642   0.9475   40.853   0.9180 -1.211357 1.319268 
1 1 1   11    8   -5 o  166.585   1.4166  3727.62   63.384  3689.49   93.423  3760.14   86.279  165.709   2.0990  167.295   1.9201 -1.585556 2.844789 
1 1 1   11    8   -4 o  187.613   1.5075  4728.21   75.966  4663.16  106.495  4795.60  108.394  186.295   2.1283  188.922   2.1361 -2.626648 3.015431 
1 1 1   11    8   -3 o  197.499   1.7293  5240.02   91.733  5200.40  144.365  5266.85  118.800  196.703   2.7325  197.983   2.2341 -1.279144 3.529529 
1 1 1   11    8   -2 o  192.227   1.7783  4963.96   91.815  4792.30  134.695  5112.94  125.485  188.838   2.6556  195.065   2.3951 -6.227692 3.576151 
1 1 1   11    8   -1 o  245.317   2.2288  8085.94  146.853  8384.08  260.419  7946.93  177.824  249.673   3.8834  243.169   2.7226 6.503906 4.742700 
1 1 1   11    8    0 o   99.037   1.1751  1317.39   31.259  1390.78   60.163  1290.26   36.585  101.741   2.2016   98.009   1.3898 3.731644 2.603580 
1 1 1   11    8    1 o  320.620   2.7293 13815.43  235.032 13792.63  371.309 13830.66  303.593  320.178   4.3177  320.718   3.5243 -0.5398865 5.573455 
1 1 1   11    8    2 o  196.137   1.7180  5167.85   90.503  5316.55  145.587  5074.19  115.541  198.895   2.7253  194.333   2.2136 4.561935 3.510987 
1 1 1   11    8    3 o  252.419   2.2891  8561.57  155.193  8687.82  271.272  8500.14  189.217  254.128   3.9743  251.477   2.8014 2.651794 4.862372 
1 1 1   11    8    4 o   97.391   1.1626  1273.98   30.411  1280.26   46.615  1269.33   40.127   97.621   1.7778   97.208   1.5369 0.4129791 2.350039 
1 1 1   11    8    5 o  144.512   1.4704  2805.28   57.074  2858.33   94.461  2774.77   71.627  145.843   2.4114  143.714   1.8556 2.128586 3.042738 
1 1 1   11    8    6 o   75.392   1.0047  763.406   20.344  798.203   39.777  751.080   23.675   77.079   1.9214   74.779   1.1787 2.300201 2.254106 
1 1 1   11    8    7 o   39.009   0.7760  204.370   8.1310  194.973   12.353  211.554   10.800   38.100   1.2072   39.688   1.0132 -1.587963 1.576020 
1 1 1   11    8    8 o  336.062   2.6083 15178.78  235.431 15130.64  332.307 15227.30  333.597  335.399   3.6888  336.468   3.6914 -1.069336 5.218563 
1 1 1   11    8    9 o  200.805   1.6743  5416.91   90.304  5395.33  122.048  5443.02  134.238  200.378   2.2677  201.250   2.4834 -0.8716736 3.363007 
1 1 1   11    8   10 o   77.866   0.8524  814.318   17.827  809.724   25.087  819.006   25.339   77.643   1.2030   78.086   1.2082 -0.4436569 1.704915 
1 1 1   11    8   11 o  237.461   2.0507  7576.41  130.791  7513.92  167.999  7672.56  208.392  236.440   2.6454  238.873   3.2481 -2.432465 4.189039 
1 1 1   11    8   12 o   98.914   1.0392  1314.11   27.609  1317.33   37.170  1310.14   41.236   99.030   1.3974   98.756   1.5546 0.2734299 2.090365 
1 1 1   11    8   13 o   88.365   0.8407  1048.72   19.954  1067.51   28.390  1030.39   28.053   89.149   1.1856   87.585   1.1925 1.563698 1.681593 
1 1 1   11    8   14 o  104.796   0.9401  1475.04   26.460  1462.48   37.167  1487.94   37.679  104.343   1.3262  105.247   1.3329 -0.9041672 1.880237 
1 1 1   11    8   15 f   82.273   0.8460  909.109   18.695  939.674   27.947  884.352   25.151   83.640   1.2440   81.141   1.1540 2.498238 1.696886 
1 1 1   11    8   16 o  112.408   1.0369  1697.15   31.304  1687.79   46.116  1705.15   42.631  112.087   1.5318  112.665   1.4088 -0.5775604 2.081136 
1 1 1   11    8   17 o   68.770   0.9699  635.216   17.915  678.096   27.897  605.120   23.371   71.047   1.4619   67.117   1.2964 3.929512 1.953964 
1 1 1   11    8   18 o  263.964   2.1638  9364.34  153.408  9416.73  208.385  9302.37  226.669  264.618   2.9320  262.970   3.2092 1.647614 4.346852 
1 1 1   11    8   19 o  136.299   1.3267  2495.62   48.570  2478.09   59.367  2531.11   84.465  135.809   1.6275  137.223   2.2917 -1.413940 2.810832 
1 1 1   11    8   20 o  159.263   1.3699  3407.57   58.599  3414.86   79.392  3398.85   86.852  159.410   1.8542  159.025   2.0334 0.3846436 2.751896 
1 1 1   11    8   21 o  201.549   1.6145  5458.30   87.399  5438.88  123.257  5477.94  123.949  201.136   2.2815  201.857   2.2862 -0.7205658 3.229858 
1 1 1   11    8   22 f  178.832   1.5153  4297.14   72.785  4250.96  107.047  4336.84   99.260  177.813   2.2414  179.617   2.0575 -1.803436 3.042532 
1 1 1   11    8   23 o  187.720   1.6611  4735.73   83.751  4779.39  119.045  4692.95  117.846  188.518   2.3511  186.805   2.3487 1.712387 3.323269 
1 1 1   11    8   24 o  150.025   1.4461  3024.43   58.270  3110.69  102.516  2983.26   70.823  152.059   2.5101  148.978   1.7699 3.080490 3.071352 
1 1 1   11    8   25 o  126.412   1.1405  2146.92   38.724  2171.90   57.743  2126.50   52.204  127.113   1.6913  125.787   1.5452 1.325867 2.290840 
1 1 1   11    8   26 o   90.702   0.9506  1105.18   23.158  1096.18   29.872  1118.74   36.661   90.321   1.2314   91.234   1.4961 -0.9128494 1.937643 
1 1 1   11    8   27 o   47.002   0.8037  296.764   10.146  285.586   15.936  304.385   13.158   46.099   1.2871   47.598   1.0292 -1.498947 1.647984 
1 1 1   11    8   28 o  103.865   0.9998  1449.45   27.891  1424.57   45.720  1464.20   35.200  102.928   1.6538  104.378   1.2556 -1.450241 2.076410 
1 1 1   11    8   29 o   33.526   0.7779  150.996   7.0050  139.489   10.279  160.977   9.5723   32.216   1.1879   34.612   1.0297 -2.395733 1.572007 
1 1 1   11    8   30 o   98.559   0.9671  1305.25   25.600  1304.43   37.847  1305.95   34.758   98.496   1.4306   98.563   1.3129 -0.6668854E-01 1.941761 
1 1 1   11    8   31 o   75.210   0.8646  760.010   17.466  747.000   24.407  773.664   25.005   74.546   1.2190   75.864   1.2271 -1.318306 1.729670 
1 1 1   11    8   32 o   17.479   1.1933   41.260   5.5687   33.710   8.1240   47.951   7.6481   15.700   1.9698   18.819   1.5262 -3.118805 2.491907 
1 1 1   11    8   33 o   88.113   0.9041  1043.30   21.397  1050.21   31.381  1037.29   29.251   88.374   1.3220   87.836   1.2399 0.5383377 1.812491 
1 1 1   11    8   34 o   43.330   0.7411  252.249   8.6254  249.711   11.923  255.035   12.493   43.102   1.0299   43.558   1.0679 -0.4556923 1.483592 
1 1 1   11    8   35 f   14.635   1.3232   29.046   5.1453   20.953   6.9204   39.049   7.6941   12.284   2.1772   16.944   1.7143 -4.659717 2.771067 
1 1 1   11    8   36 o   37.306   0.7856  187.016   7.8712  184.306   10.614  190.327   11.734   37.025   1.0673   37.621   1.1612 -0.5959816 1.577195 
1 1 1   11    8   37 o   11.579   1.6972   18.445   5.1216   19.335   6.1390   16.408   9.2893   11.810   2.0072   10.850   3.0569 0.9600382 3.656939 
1 1 1   11    8   38 o   28.950   0.9549  112.687   7.4248  116.434   8.9831  104.606   13.190   29.420   1.1368   27.796   1.7760 1.624035 2.108721 
1 1 1   11    8   39 o   85.124   0.9666  974.457   22.099  929.289   30.349  1025.44   32.244   83.072   1.3602   87.261   1.3757 -4.189232 1.934605 
1 1 1   11    8   40 o   41.544   0.8506  232.047   9.4907  232.287   12.359  231.701   14.817   41.548   1.1075   41.478   1.3300 0.7052231E-01 1.730720 
1 1 1   11    8   41 o   17.981   1.3485   43.798   6.4651   40.096   9.8784   46.573   8.5507   17.069   2.2064   18.493   1.7420 -1.424309 2.811202 
1 1 1   11    8   42 o   47.249   0.8432  300.206   10.701  307.961   16.140  294.122   14.295   47.817   1.2567   46.743   1.1386 1.074596 1.695779 
1 1 1   11    8   43 o   64.063   0.8127  551.873   13.984  554.221   19.678  549.477   19.877   64.159   1.1419   63.881   1.1585 0.2775574 1.626671 
1 1 1   11    8   44 o   57.048   0.8344  437.706   12.785  434.002   17.320  442.140   18.952   56.771   1.1359   57.287   1.2317 -0.5160675 1.675519 
1 1 1   11    8   45 o   34.237   0.9695  157.756   8.9155  162.651   12.949  153.345   12.293   34.725   1.3884   33.720   1.3573 1.004726 1.941635 
1 1 1   11    8   46 o   9.0939   2.4944   11.636   6.2759   8.5112   9.1529   14.409   8.6217   8.5699   3.0978   10.149   2.9722 -1.579291 4.293089 
1 1 1   11    8   47 o   33.655   1.0980  152.621   9.9257  151.186   14.768  153.803   13.405   33.427   1.6449   33.740   1.4792 -0.3121262 2.212156 
1 1 1   11    8   48 o   60.494   0.8484  492.513   13.786  494.749   19.422  490.244   19.570   60.568   1.1939   60.289   1.2086 0.2795296 1.698820 
1 1 1   11    8   49 o   15.087   1.7581   31.264   6.9904   33.602   9.5056   28.510   10.316   15.520   2.3543   14.164   2.8108 1.355354 3.666529 
1 1 1   11    8   50 o   19.776   1.5325   53.221   8.0764   53.892   12.247   52.705   10.743   19.727   2.3583   19.572   2.0753 0.1545238 3.141405 
1 1 1   11    8   51 o   60.711   0.8618  496.177   14.053  516.120   20.156  477.308   19.605   61.848   1.2133   59.473   1.2273 2.374134 1.725819 
1 1 1   11    8   52 o   44.339   0.9187  264.769   10.941  266.086   15.391  263.424   15.556   44.387   1.2910   44.161   1.3115 0.2265511 1.840288 
1 1 1   11    8   53 o   24.670   1.3464   82.525   8.8876   67.020   11.715  103.552   13.642   22.090   1.9960   27.533   1.8556 -5.442158 2.725300 
1 1 1   11    8   54 o   36.053   1.3721  175.950   13.287  184.646   18.242  166.123   19.391   36.768   1.8531   34.793   2.0846 1.975670 2.789181 
1 1 1   11    8   55 o   12.731   3.1285   23.687   10.621   26.134   12.095   15.443   22.202   13.325   3.3756   11.989   4.7115 1.335783 5.795887 
1 1 1   11    8   56 o   18.289   2.1283   46.687   10.259   25.811   16.046   61.122   13.343   13.146   4.1000   20.848   2.4283 -7.702113 4.765112 
1 1 1   11    8   57 o   7.5163   3.0906   3.5213   10.030   2.8305   16.470   3.9285   12.646   9.0169   3.8487   8.2817   3.4437 0.7351255 5.164475 
1 1 1   11    8   58 o   5.7603   2.7379 -12.7683   11.530  -4.1930   15.870 -22.3546   16.780   7.9366   3.5666   6.5754   3.1719 1.361131 4.773040 
1 1 1   11    8   59 o   9.1421   3.5249   9.7951   12.242   23.979   18.113  -2.1333   16.610   12.467   4.3735   8.2793   3.6897 4.187220 5.722025 
1 1 1   11    9  -58 o   16.985   2.8044   42.311   12.347   28.259   17.199   57.257   17.737   13.339   4.2558   19.378   3.5382 -6.038395 5.534518 
1 1 1   11    9  -57 o   7.8895   3.3289   2.6572   12.082 -17.0735   17.210   21.834   16.967   7.0914   3.3632   12.173   4.2350 -5.082020 5.407952 
1 1 1   11    9  -56 o   25.620   2.1018   91.281   14.336   95.848   20.238   86.682   20.309   25.830   2.9713   24.443   3.1680 1.386835 4.343375 
1 1 1   11    9  -55 o   24.388   1.5583   81.286   10.154   93.375   13.833   67.161   14.953   26.005   1.9956   21.812   2.6039 4.193781 3.280643 
1 1 1   11    9  -54 f   29.822   1.3204  120.432   10.576  121.165   13.748  119.368   16.554   29.777   1.7264   29.431   2.1081 0.3463631 2.724810 
1 1 1   11    9  -53 o   49.209   0.9465  326.404   12.510  327.426   18.276  325.503   17.159   49.184   1.3835   49.061   1.3022 0.1227951 1.899899 
1 1 1   11    9  -52 f   32.388   1.1945  141.606   10.391  149.933   15.608  134.977   13.925   33.181   1.7576   31.504   1.6514 1.677046 2.411664 
1 1 1   11    9  -51 o   22.894   1.3472   71.062   8.2476   66.155   11.779   75.781   11.552   21.955   2.0202   23.550   1.8409 -1.595877 2.733152 
1 1 1   11    9  -50 o   13.157   1.9108   23.996   6.5551   26.097   9.0493   21.676   9.5084   13.582   2.5748   12.296   2.9221 1.286032 3.894672 
1 1 1   11    9  -49 o   39.169   0.9910  206.685   10.426  202.912   15.871  209.549   13.828   38.726   1.5259   39.393   1.3070 -0.6673050 2.009066 
1 1 1   11    9  -48 o   31.842   1.0143  136.602   8.6747  135.260   12.986  137.684   11.657   31.620   1.5290   31.927   1.3594 -0.3064213 2.045917 
1 1 1   11    9  -47 o   26.806   1.1095   96.854   7.9886  108.405   10.266   79.120   12.720   28.335   1.3489   24.052   1.9868 4.282581 2.401415 
1 1 1   11    9  -46 o   48.375   0.9630  315.072   12.512  314.280   14.881  316.985   23.114   48.288   1.1473   48.372   1.7791 -0.8408737E-01 2.116939 
1 1 1   11    9  -45 o   28.000   0.9798  105.539   7.3686  110.708   10.348  100.221   10.495   28.647   1.3449   27.209   1.4412 1.437130 1.971246 
1 1 1   11    9  -44 o   12.107   1.7850   20.245   5.6304   22.524   7.6508   17.553   8.3160   12.678   2.3327   11.119   2.7893 1.558973 3.636117 
1 1 1   11    9  -43 o   14.757   1.4685   29.666   5.7431   13.809   7.9213   47.240   8.3388   9.9320   2.8314   18.624   1.6852 -8.692320 3.295001 
1 1 1   11    9  -42 o   47.630   0.8409  305.093   10.757  307.860   16.504  303.049   14.184   47.801   1.2854   47.445   1.1130 0.3555794 1.700362 
1 1 1   11    9  -41 o   30.021   0.9074  121.222   7.3164  123.349   10.108  118.881   10.604   30.263   1.2435   29.704   1.3291 0.5592861 1.820145 
1 1 1   11    9  -40 o   34.170   0.8100  156.980   7.4336  160.745   10.283  152.859   10.758   34.560   1.1078   33.696   1.1887 0.8638992 1.624905 
1 1 1   11    9  -39 o   45.108   0.7676  273.513   9.3001  275.058   12.943  271.864   13.372   45.215   1.0658   44.948   1.1076 0.2666435 1.537120 
1 1 1   11    9  -38 o   49.840   0.7636  333.881   10.221  348.982   14.297  318.095   14.618   50.935   1.0451   48.623   1.1193 2.312054 1.531367 
1 1 1   11    9  -37 o   52.102   0.8855  364.936   12.391  364.570   18.510  365.234   16.680   52.042   1.3242   52.101   1.1920 -0.5883789E-01 1.781668 
1 1 1   11    9  -36 o   52.610   0.8089  371.986   11.430  370.594   18.610  372.828   14.484   52.478   1.3203   52.657   1.0241 -0.1791611 1.670909 
1 1 1   11    9  -35 o   40.919   0.8997  225.042   9.8877  221.331   14.797  228.037   13.291   40.558   1.3583   41.177   1.2017 -0.6182594 1.813596 
1 1 1   11    9  -34 o   54.191   0.8478  394.639   12.340  405.235   15.139  373.657   21.303   54.905   1.0266   52.693   1.5052 2.211887 1.821926 
1 1 1   11    9  -33 o   78.935   0.8998  837.314   19.077  829.834   24.338  849.231   30.720   78.564   1.1534   79.453   1.4395 -0.8884430 1.844590 
1 1 1   11    9  -32 o   42.575   0.7104  243.517   8.1237  244.400   10.382  242.122   13.046   42.647   0.9064   42.440   1.1445 0.2070503 1.459922 
1 1 1   11    9  -31 o  108.520   0.9795  1582.63   28.550  1597.56   37.380  1561.71   44.232  109.006   1.2767  107.749   1.5284 1.256622 1.991469 
1 1 1   11    9  -30 o   25.479   0.8494   87.222   5.8126   85.823   7.4646   89.377   9.2644   25.270   1.0998   25.747   1.3443 -0.4778519 1.736878 
1 1 1   11    9  -29 o   49.667   0.7490  331.391   9.9923  327.569   14.343  334.994   13.929   49.370   1.0816   49.928   1.0387 -0.5577660 1.499574 
1 1 1   11    9  -28 o   92.477   1.0172  1149.16   25.265  1161.14   37.541  1139.23   34.158   92.927   1.5041   92.055   1.3815 0.8718033 2.042253 
1 1 1   11    9  -27 o   20.363   0.9816   55.713   5.3689   51.005   6.6578   64.468   9.0788   19.438   1.2824   21.842   1.5578 -2.403370 2.017739 
1 1 1   11    9  -26 o   83.312   0.8714  932.429   19.499  936.390   26.269  927.569   29.100   83.477   1.1716   83.077   1.3041 0.4000778 1.753121 
1 1 1   11    9  -25 o  143.540   1.3908  2769.06   53.620  2797.15   66.021  2714.62   91.907  144.239   1.7041  142.016   2.4094 2.223297 2.951190 
1 1 1   11    9  -24 f   34.932   0.7711  163.906   7.2345  162.665   9.2894  165.818   11.533   34.797   0.9939   35.130   1.2223 -0.3326607 1.575402 
1 1 1   11    9  -23 o   98.632   0.9589  1306.83   25.404  1302.50   34.095  1312.23   38.088   98.457   1.2893   98.818   1.4350 -0.3610229 1.929148 
1 1 1   11    9  -22 o   86.993   0.8890  1016.55   20.773  1030.59   28.068  999.540   30.887   87.585   1.1931   86.251   1.3333 1.333794 1.789205 
1 1 1   11    9  -21 o  111.197   1.0353  1660.97   30.921  1653.79   41.613  1669.82   46.204  110.944   1.3965  111.475   1.5432 -0.5303574 2.081229 
1 1 1   11    9  -20 o  150.981   1.3111  3062.47   53.167  3113.89   72.492  3002.62   78.214  152.219   1.7731  149.463   1.9483 2.755219 2.634333 
1 1 1   11    9  -19 o   30.213   0.8715  122.608   7.0723  122.705   8.3710  122.365   13.219   30.224   1.0312   30.133   1.6395 0.9149361E-01 1.936858 
1 1 1   11    9  -18 o  248.555   2.0457  8303.34  136.568  8348.79  185.402  8249.43  201.927  249.152   2.7705  247.629   3.0360 1.523209 4.110093 
1 1 1   11    9  -17 o  170.901   1.4550  3923.87   66.789  3934.47   90.453  3911.17   99.038  171.106   1.9682  170.586   2.1616 0.5194397 2.923372 
1 1 1   11    9  -16 o  265.420   2.2815  9468.93  162.649  9561.59  231.298  9378.29  228.765  266.601   3.2301  264.034   3.2258 2.567200 4.565021 
1 1 1   11    9  -15 o  215.861   2.1016  6261.88  121.849  6193.94  170.868  6332.19  173.810  214.614   2.9642  216.994   2.9822 -2.380066 4.204772 
1 1 1   11    9  -14 o   50.983   0.9700  349.115   13.283  371.456   16.227  303.755   23.122   52.587   1.1489   47.547   1.8106 5.039917 2.144309 
1 1 1   11    9  -13 o  174.458   1.6343  4088.93   76.581  4080.68   93.641  4105.58  133.073  174.266   2.0006  174.747   2.8352 -0.4811401 3.470015 
1 1 1   11    9  -12 o  134.847   1.3156  2442.57   47.650  2436.61   58.130  2454.78   83.193  134.675   1.6070  135.152   2.2918 -0.4766998 2.799064 
1 1 1   11    9  -11 o  121.561   1.1476  1984.83   37.470  1962.85   48.110  2018.72   59.741  120.879   1.4818  122.578   1.8145 -1.699509 2.342717 
1 1 1   11    9  -10 o  120.353   1.0870  1945.55   35.140  1941.42   47.457  1950.57   52.283  120.218   1.4697  120.497   1.6154 -0.2796097 2.183983 
1 1 1   11    9   -9 o   29.073   0.7810  113.521   6.0990  111.589   7.9598  116.267   9.4914   28.824   1.0282   29.421   1.2011 -0.5973377 1.581064 
1 1 1   11    9   -8 o  225.895   1.7877  6855.62  108.464  6886.76  153.816  6824.81  152.972  226.363   2.5299  225.343   2.5274 1.020233 3.576052 
1 1 1   11    9   -7 o  108.443   0.9606  1579.48   27.981  1572.36   39.479  1586.68   39.663  108.192   1.3586  108.684   1.3587 -0.4913788 1.921402 
1 1 1   11    9   -6 o   89.102   0.9194  1066.31   22.003  1061.45   28.449  1073.53   34.709   88.896   1.1915   89.397   1.4455 -0.5004196 1.873300 
1 1 1   11    9   -5 o  277.394   2.3756 10340.64  176.997 10261.54  278.451 10394.28  229.277  276.193   3.7536  278.050   3.0700 -1.857483 4.849166 
1 1 1   11    9   -4 f  133.861   1.1775  2406.79   42.337  2435.81   57.763  2373.11   62.234  134.656   1.5971  132.908   1.7434 1.748169 2.364329 
1 1 1   11    9   -3 o  170.710   1.4480  3914.60   66.395  3897.45   98.280  3928.99   90.051  170.311   2.1485  171.006   1.9606 -0.6955109 2.908586 
1 1 1   11    9   -2 o   84.803   0.8958  965.881   20.403  953.494   32.256  974.143   26.343   84.251   1.4254   85.162   1.1517 -0.9108963 1.832523 
1 1 1   11    9   -1 o  236.824   1.8676  7535.12  118.799  7613.36  169.105  7458.89  166.931  238.002   2.6454  235.575   2.6382 2.426315 3.736069 
1 1 1   11    9    0 o   95.366   0.8783  1221.47   22.497  1238.72   32.124  1204.88   31.515   96.032   1.2454   94.711   1.2389 1.320641 1.756660 
1 1 1   11    9    1 o  119.841   1.0337  1928.98   33.272  1946.97   47.369  1911.46   46.745  120.391   1.4649  119.288   1.4590 1.102669 2.067494 
1 1 1   11    9    2 o  164.724   1.3431  3644.76   59.423  3678.96   84.563  3611.40   83.520  165.478   1.9026  163.952   1.8966 1.526260 2.686477 
1 1 1   11    9    3 o   65.976   0.7512  584.598   13.312  578.914   18.124  591.258   19.617   65.652   1.0278   66.348   1.1008 -0.6956482 1.506036 
1 1 1   11    9    4 f   81.106   0.8318  883.490   18.120  913.561   27.405  860.131   24.154   82.470   1.2372   80.024   1.1238 2.446732 1.671382 
1 1 1   11    9    5 o   59.708   0.7302  478.798   11.710  475.501   17.503  481.470   15.754   59.500   1.0952   59.873   0.9797 -0.3731689 1.469440 
1 1 1   11    9    6 o  390.319   3.3068 20486.59  346.668 20465.60  547.871 20500.60  447.688  389.736   5.2338  390.282   4.2708 -0.5462952 6.755138 
1 1 1   11    9    7 o  251.226   2.2803  8481.33  153.868  8492.84  231.203  8472.17  206.150  251.297   3.4254  251.027   3.0575 0.2697754 4.591506 
1 1 1   11    9    8 o  202.378   1.8655  5502.67  101.405  5521.82  152.477  5487.48  135.786  202.675   2.8010  202.064   2.5019 0.6115112 3.755688 
1 1 1   11    9    9 o  112.266   1.0315  1692.83   31.103  1678.95   45.965  1704.55   42.243  111.796   1.5308  112.647   1.3962 -0.8516769 2.071851 
1 1 1   11    9   10 o  150.802   1.3648  3054.77   55.280  3098.79   72.034  2991.69   86.219  151.872   1.7659  149.210   2.1514 2.662064 2.783307 
1 1 1   11    9   11 o   40.254   0.8350  217.629   9.0279  229.184   12.952  206.712   12.590   41.307   1.1674   39.229   1.1949 2.077568 1.670525 
1 1 1   11    9   12 o  181.785   1.4682  4439.21   71.686  4436.73  101.252  4441.71  101.507  181.708   2.0746  181.810   2.0787 -0.1018219 2.936817 
1 1 1   11    9   13 o   59.018   0.7126  467.806   11.296  462.102   15.806  473.761   16.151   58.655   1.0033   59.391   1.0125 -0.7352638 1.425373 
1 1 1   11    9   14 o  130.863   1.1631  2300.28   40.883  2346.80   55.921  2246.86   59.919  132.169   1.5753  129.319   1.7251 2.849487 2.336118 
1 1 1   11    9   15 o  103.873   1.0804  1449.25   30.142  1412.36   36.514  1528.18   53.404  102.537   1.3258  106.645   1.8644 -4.107178 2.287770 
1 1 1   11    9   16 o  259.434   2.4957  9048.16  173.906  9216.87  248.691  8886.72  243.278  261.707   3.5380  256.979   3.5246 4.727936 4.994013 
1 1 1   11    9   17 o   61.501   0.8376  508.025   13.836  517.442   20.535  500.195   18.725   62.064   1.2319   61.022   1.1424 1.041943 1.680064 
1 1 1   11    9   18 o   97.368   1.0398  1273.46   27.192  1302.63   36.674  1237.86   40.525   98.469   1.3866   95.985   1.5719 2.484184 2.096107 
1 1 1   11    9   19 o  113.192   1.0002  1720.99   30.408  1728.90   42.986  1713.08   43.019  113.440   1.4108  112.919   1.4184 0.5203552 2.000587 
1 1 1   11    9   20 o   99.999   0.9220  1343.17   24.765  1375.69   35.290  1311.63   34.762  101.192   1.2984   98.808   1.3098 2.384384 1.844333 
1 1 1   11    9   21 o  133.723   1.1374  2402.23   40.853  2370.39   57.255  2435.25   58.308  132.813   1.6050  134.617   1.6126 -1.804276 2.275235 
1 1 1   11    9   22 o  104.001   0.9473  1452.93   26.463  1455.48   37.315  1450.34   37.534  104.080   1.3348  103.896   1.3451 0.1842804 1.894984 
1 1 1   11    9   23 o   23.056   0.9210   71.405   5.7034   67.713   7.4810   76.529   8.8134   22.415   1.2476   23.825   1.3832 -1.410034 1.862729 
1 1 1   11    9   24 f   27.281   0.8426   99.971   6.1739   97.660   7.9438  103.497   9.8116   26.961   1.0970   27.753   1.3163 -0.7914753 1.713450 
1 1 1   11    9   25 o   75.201   0.9703  759.743   19.598  760.387   28.001  759.124   27.440   75.219   1.3860   75.157   1.3593 0.6143951E-01 1.941317 
1 1 1   11    9   26 o   85.894   0.8884  991.143   20.495  997.438   30.422  985.911   27.734   86.149   1.3148   85.655   1.2055 0.4941406 1.783757 
1 1 1   11    9   27 o   53.186   0.7656  380.003   10.937  369.400   16.092  389.105   14.909   52.430   1.1427   53.813   1.0315 -1.383427 1.539398 
1 1 1   11    9   28 o   27.245   0.8522   99.729   6.2361   95.328   8.7571  104.258   8.8826   26.632   1.2242   27.852   1.1874 -1.220129 1.705481 
1 1 1   11    9   29 o  103.920   1.0509  1451.26   29.331  1483.51   47.066  1430.78   37.505  105.015   1.6687  103.161   1.3536 1.853447 2.148627 
1 1 1   11    9   30 o   33.597   0.9912  151.684   8.9445  176.100   20.052  145.619   9.9939   36.101   2.0767   32.915   1.1304 3.186111 2.364438 
1 1 1   11    9   31 o   66.730   0.8104  598.278   14.524  602.433   23.245  595.618   18.602   66.937   1.2929   66.571   1.0404 0.3658676 1.659519 
1 1 1   11    9   32 o  101.541   0.9446  1385.60   25.761  1386.81   36.301  1384.37   36.564  101.551   1.3309  101.461   1.3417 0.9040833E-01 1.889841 
1 1 1   11    9   33 o   22.951   0.9220   70.790   5.6834   75.411   7.7932   65.539   8.3064   23.650   1.2311   22.028   1.4114 1.621767 1.872851 
1 1 1   11    9   34 o  101.315   0.9448  1379.64   25.710  1356.65   35.893  1403.85   36.843  100.427   1.3306  102.158   1.3428 -1.730576 1.890399 
1 1 1   11    9   35 o   28.115   0.8299  106.229   6.2667  110.425   7.7608   98.366   10.623   28.660   1.0082   26.994   1.4708 1.665888 1.783142 
1 1 1   11    9   36 o   31.424   0.8162  132.717   6.8888  132.339   8.4287  133.477   11.956   31.373   1.0003   31.490   1.4135 -0.1163940 1.731646 
1 1 1   11    9   37 o  111.931   1.3468  1686.56   40.490  1715.00   62.845  1666.38   52.943  112.685   2.0764  111.161   1.7732 1.523750 2.730520 
1 1 1   11    9   38 o   17.950   1.1333   43.526   5.4358   45.071   6.8194   40.833   9.0022   18.240   1.4027   17.277   1.9755 0.9630222 2.422855 
1 1 1   11    9   39 o   18.090   1.1919   44.242   5.7591   46.459   7.7682   41.536   8.5815   18.495   1.5789   17.440   1.8607 1.055326 2.440295 
1 1 1   11    9   40 o   24.620   0.9821   81.539   6.4942   67.972   8.7956   97.801   9.6294   22.407   1.4696   26.944   1.3306 -4.536873 1.982459 
1 1 1   11    9   41 o   69.286   0.9650  645.808   17.958  666.821   24.797  622.631   26.042   70.352   1.3123   67.961   1.4267 2.390923 1.938457 
1 1 1   11    9   42 o   66.261   0.8572  590.482   15.256  601.201   20.342  576.702   23.065   66.823   1.1334   65.419   1.3127 1.403984 1.734272 
1 1 1   11    9   43 o   15.152   1.5842   31.328   6.3520   31.655   9.2617   31.037   8.7281   15.089   2.3628   14.963   2.2407 0.1260939 3.256269 
1 1 1   11    9   44 o   28.130   1.1174  106.573   8.4429  107.198   14.308  106.239   10.458   28.072   1.9090   28.064   1.3873 0.8094788E-02 2.359846 
1 1 1   11    9   45 o   61.910   0.8191  515.597   13.620  519.278   19.241  511.900   19.284   62.079   1.1539   61.634   1.1649 0.4445267 1.639677 
1 1 1   11    9   46 o   33.308   1.0063  149.408   9.0022  152.845   11.651  144.316   14.181   33.659   1.2887   32.663   1.6165 0.9954567 2.067298 
1 1 1   11    9   47 o   41.841   0.9422  235.728   10.588  240.743   13.630  228.097   16.814   42.249   1.2012   41.070   1.5242 1.178234 1.940653 
1 1 1   11    9   48 o   24.283   1.1571   79.523   7.5471   85.132   10.397   73.276   10.972   25.036   1.5539   23.178   1.7760 1.857454 2.359803 
1 1 1   11    9   49 o   22.731   1.2768   69.970   7.7637   69.779   11.175   70.149   10.794   22.595   1.8578   22.670   1.7872 -0.7478714E-01 2.577885 
1 1 1   11    9   50 o   21.710   1.2741   63.845   7.3967   64.817   10.343   62.827   10.582   21.786   1.7832   21.432   1.8567 0.3543644 2.574329 
1 1 1   11    9   51 o   52.596   0.8702  372.464   12.294  379.186   17.468  365.866   17.305   53.002   1.2271   52.060   1.2376 0.9415283 1.742772 
1 1 1   11    9   52 f   59.900   0.8661  483.177   13.934  479.763   19.471  486.762   19.949   59.609   1.2162   60.036   1.2371 -0.4276085 1.734798 
1 1 1   11    9   53 o   16.701   2.1200   38.721   9.2952   47.362   14.620   32.859   12.043   18.198   3.1024   15.102   3.0735 3.096549 4.367032 
1 1 1   11    9   54 f   20.946   1.8314   60.298   10.199   58.364   13.573   62.808   15.459   20.394   2.5323   21.070   2.8011 -0.6759319 3.776057 
1 1 1   11    9   55 o   30.330   1.1987  124.544   9.7649  116.095   14.988  130.776   12.872   29.036   1.9329   30.996   1.5461 -1.960482 2.475149 
1 1 1   11    9   56 o   10.001   3.6022   13.043   12.361   10.189   17.448   15.918   17.514   10.297   4.1337   11.246   4.2450 -0.9486628 5.925185 
1 1 1   11    9   57 o   19.158   2.6525   52.770   13.283   48.849   18.802   56.677   18.767   17.699   4.0437   19.272   3.7606 -1.572628 5.522061 
1 1 1   11    9   58 o   20.187   2.4863   58.459   13.196   35.849   18.885   80.034   18.447   14.839   4.4131   23.338   3.0133 -8.498881 5.343712 
1 1 1   11   10  -58 o   14.318   3.7285   32.464   14.480   47.450   27.784   26.875   16.966   16.209   5.4248   12.936   4.2355 3.272666 6.882491 
1 1 1   11   10  -57 o   11.340   3.6046   19.369   12.347   14.593   17.603   23.993   17.322   10.835   4.2130   12.509   4.2829 -1.673318 6.007755 
1 1 1   11   10  -56 o   40.323   1.5587  222.339   16.881  196.400   31.583  232.714   19.974   36.718   3.2355   41.126   1.8083 -4.408020 3.706549 
1 1 1   11   10  -55 o   17.959   3.1699   47.208   14.732   72.830   23.190   29.873   19.075   21.877   4.0971   13.976   4.4844 7.901130 6.074223 
1 1 1   11   10  -54 o   30.768   1.3421  128.389   11.091  136.110   15.838  120.958   15.536   31.478   1.8819   29.639   1.9627 1.839384 2.719146 
1 1 1   11   10  -53 o   37.723   1.0542  192.099   10.682  190.968   14.973  193.271   15.243   37.517   1.4859   37.738   1.5038 -0.2208900 2.114084 
1 1 1   11   10  -52 o   35.910   0.9483  173.813   9.1462  194.948   12.932  152.660   12.937   37.977   1.2678   33.576   1.4346 4.400890 1.914517 
1 1 1   11   10  -51 o   20.861   1.4706   59.188   8.1869   72.404   11.844   47.098   11.329   22.984   1.9366   18.404   2.3452 4.580286 3.041431 
1 1 1   11   10  -50 o   15.115   1.7093   31.370   6.8173   29.171   9.3399   33.877   9.9735   14.389   2.5079   15.541   2.4721 -1.152655 3.521467 
1 1 1   11   10  -49 o   57.667   0.8836  447.764   13.685  454.279   20.324  442.359   18.511   57.996   1.3047   57.255   1.2037 0.7419205 1.775160 
1 1 1   11   10  -48 o   16.683   1.5154   37.964   6.7165   40.508   9.2822   35.168   9.7307   17.131   2.0585   15.876   2.3532 1.254563 3.126499 
1 1 1   11   10  -47 o   14.974   1.7064   30.773   6.7404   27.505   8.5851   36.023   10.883   14.004   2.3667   16.009   2.6219 -2.004663 3.532126 
1 1 1   11   10  -46 o   36.679   0.9684  181.181   9.5400  185.088   11.913  174.199   15.928   37.044   1.1973   35.868   1.6533 1.176105 2.041333 
1 1 1   11   10  -45 o   19.588   1.3250   52.014   6.9299   68.947   9.0595   28.133   10.759   22.538   1.5052   14.055   2.9442 8.482495 3.306633 
1 1 1   11   10  -44 o   3.8357   1.8385  -7.7081   5.4331  -9.6450   7.3223  -5.3354   8.1043   4.5292   2.1609   5.4330   2.4836 -0.9037333 3.292088 
1 1 1   11   10  -43 o   62.442   0.8018  524.395   13.448  524.190   18.799  524.610   19.245   62.385   1.1219   62.406   1.1482 -0.2066422E-01 1.605317 
1 1 1   11   10  -42 f   82.269   0.8956  910.513   19.789  909.099   28.767  911.783   27.265   82.126   1.3041   82.263   1.2340 -0.1368790 1.795414 
1 1 1   11   10  -41 o   23.996   1.0450   77.499   6.7349   70.292   9.6293   84.402   9.4231   22.766   1.5846   24.980   1.4102 -2.213764 2.121261 
1 1 1   11   10  -40 o   24.089   0.9964   78.078   6.4472   74.299   8.6745   82.742   9.6366   23.438   1.3841   24.729   1.4573 -1.291142 2.009823 
1 1 1   11   10  -39 o   40.514   0.7769  220.669   8.4545  210.669   11.540  232.256   12.422   39.565   1.0859   41.540   1.1133 -1.975422 1.555221 
1 1 1   11   10  -38 o   32.403   0.8179  141.165   7.1187  125.187   9.5465  161.176   10.684   30.497   1.1655   34.605   1.1495 -4.108223 1.636934 
1 1 1   11   10  -37 o   27.956   0.8561  105.073   6.4284  102.352   8.6615  108.409   9.5919   27.578   1.1693   28.378   1.2584 -0.7996025 1.717835 
1 1 1   11   10  -36 o   49.728   0.8787  332.446   11.736  353.392   17.780  316.275   15.622   51.240   1.2919   48.482   1.1997 2.757954 1.763056 
1 1 1   11   10  -35 o   91.988   0.9489  1137.61   23.444  1130.93   38.506  1141.54   29.553   91.633   1.5645   92.118   1.1945 -0.4845886 1.968369 
1 1 1   11   10  -34 o   38.398   0.7035  198.113   7.2559  190.289   9.3560  209.921   11.493   37.625   0.9258   39.512   1.0830 -1.886692 1.424771 
1 1 1   11   10  -33 o   26.948   0.9297   97.604   6.7294   95.125   8.0269  103.469   12.345   26.598   1.1236   27.671   1.6688 -1.072250 2.011816 
1 1 1   11   10  -32 o   83.053   0.9243  927.035   20.620  937.898   26.541  910.497   32.749   83.519   1.1832   82.262   1.4822 1.257202 1.896498 
1 1 1   11   10  -31 o   90.225   0.8771  1093.92   21.255  1065.77   29.539  1124.14   30.610   89.031   1.2353   91.435   1.2464 -2.404633 1.754802 
1 1 1   11   10  -30 o   37.508   0.7782  189.020   7.8400  192.250   10.315  184.602   12.065   37.821   1.0154   37.056   1.2122 0.7658768 1.581276 
1 1 1   11   10  -29 o   87.324   0.9387  1024.68   22.018  1031.84   34.378  1019.70   28.669   87.591   1.4613   87.093   1.2256 0.4981613 1.907181 
1 1 1   11   10  -28 o   95.111   0.9820  1215.60   25.087  1177.66   38.641  1243.25   32.984   93.574   1.5375   96.167   1.2770 -2.592766 1.998618 
1 1 1   11   10  -27 o   84.603   0.9638  961.751   21.900  930.919   31.909  989.210   30.113   83.209   1.4277   85.783   1.3069 -2.573746 1.935596 
1 1 1   11   10  -26 o   59.787   0.9479  480.257   15.221  500.630   20.591  455.709   22.602   61.031   1.2561   58.220   1.4454 2.810234 1.914943 
1 1 1   11   10  -25 o   98.131   0.9589  1293.79   25.273  1317.17   34.379  1266.30   37.280   98.997   1.2929   97.058   1.4301 1.939011 1.927880 
1 1 1   11   10  -24 o   44.931   0.8015  271.184   9.6725  284.533   11.906  245.271   16.588   46.021   0.9632   42.717   1.4458 3.303360 1.737244 
1 1 1   11   10  -23 o  111.951   1.0422  1683.81   31.337  1687.58   42.279  1679.20   46.683  112.058   1.4047  111.770   1.5550 0.2878494 2.095557 
1 1 1   11   10  -22 o   45.735   0.7804  280.958   9.5869  282.301   12.085  278.679   15.747   45.841   0.9815   45.541   1.2874 0.3002625 1.618840 
1 1 1   11   10  -21 o   67.233   0.7892  607.159   14.251  613.621   19.097  599.037   21.408   67.585   1.0520   66.773   1.1937 0.8111496 1.591120 
1 1 1   11   10  -20 o   62.901   0.8784  531.458   14.841  534.768   22.495  528.907   19.749   63.088   1.3275   62.745   1.1718 0.3433762 1.770753 
1 1 1   11   10  -19 o   86.680   0.8833  1009.20   20.565  997.403   27.475  1024.24   31.011   86.165   1.1872   87.312   1.3223 -1.147736 1.777081 
1 1 1   11   10  -18 o   73.491   0.8910  725.457   17.588  740.429   23.597  706.744   26.381   74.241   1.1834   72.529   1.3542 1.711975 1.798432 
1 1 1   11   10  -17 o  101.051   0.9671  1371.61   26.250  1353.52   35.123  1394.51   39.508  100.375   1.3028  101.879   1.4438 -1.504158 1.944698 
1 1 1   11   10  -16 o   81.153   0.8492  884.561   18.510  870.410   24.725  902.602   27.918   80.496   1.1436   81.969   1.2681 -1.472656 1.707569 
1 1 1   11   10  -15 o  227.150   1.8810  6933.75  114.759  6834.10  153.787  7058.97  172.390  225.452   2.5397  229.101   2.8015 -3.649689 3.781310 
1 1 1   11   10  -14 o  140.043   1.4417  2634.77   54.227  2599.88   75.624  2671.70   77.800  139.089   2.0243  140.995   2.0544 -1.906418 2.884145 
1 1 1   11   10  -13 o   31.992   0.7280  137.462   6.2555  141.151   8.6352  133.387   9.0743   32.417   0.9917   31.513   1.0721 0.9045258 1.460466 
1 1 1   11   10  -12 o  142.704   1.2463  2735.52   47.770  2694.94   64.089  2786.24   71.656  141.627   1.6848  144.000   1.8527 -2.372437 2.504191 
1 1 1   11   10  -11 o  141.891   1.3005  2704.47   49.562  2636.60   63.014  2814.56   80.257  140.087   1.6747  144.722   2.0647 -4.634766 2.658504 
1 1 1   11   10  -10 o   87.390   0.9185  1025.74   21.560  1007.03   27.601  1055.02   34.530   86.586   1.1868   88.620   1.4507 -2.034691 1.874296 
1 1 1   11   10   -9 o   70.700   0.8700  671.343   16.521  648.369   19.981  720.990   29.372   69.478   1.0707   73.260   1.4927 -3.782082 1.837026 
1 1 1   11   10   -8 o  117.155   1.4343  1843.75   45.134  1875.52   55.942  1784.52   76.391  118.151   1.7628  115.225   2.4683 2.925789 3.033169 
1 1 1   11   10   -7 o  112.258   1.0303  1692.61   31.066  1719.73   42.465  1661.38   45.567  113.147   1.3973  111.208   1.5255 1.938911 2.068748 
1 1 1   11   10   -6 o  148.202   1.2841  2950.31   51.114  2934.90   75.686  2963.23   69.306  147.796   1.9066  148.513   1.7375 -0.7176514 2.579523 
1 1 1   11   10   -5 o  165.906   1.4837  3697.52   66.115  3644.14  103.887  3733.86   85.713  164.668   2.3489  166.703   1.9143 -2.034943 3.030149 
1 1 1   11   10   -4 o  149.511   1.4289  3002.76   57.381  2978.65   85.838  3022.24   77.154  148.885   2.1465  149.979   1.9153 -1.094498 2.876787 
1 1 1   11   10   -3 o  335.480   2.6044 15127.75  234.673 15123.93  331.830 15131.57  331.926  335.292   3.6847  335.377   3.6848 -0.8471680E-01 5.211031 
1 1 1   11   10   -2 o  117.258   1.0190  1846.74   32.092  1855.70   45.565  1837.92   45.208  117.535   1.4433  116.970   1.4389 0.5643921 2.038091 
1 1 1   11   10   -1 o   88.234   0.8399  1045.62   19.906  1076.12   28.608  1017.01   27.715   89.507   1.1900   87.015   1.1858 2.492714 1.679959 
1 1 1   11   10    0 o  125.618   1.1212  2119.53   37.831  2139.90   56.508  2102.98   50.928  126.209   1.6670  125.119   1.5154 1.089775 2.252853 
1 1 1   11   10    1 o   65.783   0.8337  581.210   14.730  577.532   19.954  585.614   21.836   65.572   1.1330   66.029   1.2313 -0.4562607 1.673218 
1 1 1   11   10    2 o  113.283   0.9931  1723.62   30.216  1716.06   42.721  1731.19   42.741  113.027   1.4073  113.524   1.4017 -0.4973068 1.986263 
1 1 1   11   10    3 o  213.414   1.6962  6118.81   97.228  6199.29  138.686  6041.01  136.347  214.773   2.4042  212.014   2.3944 2.758835 3.393068 
1 1 1   11   10    4 o  174.947   1.4175  4111.36   66.605  4136.59   94.579  4086.55   93.813  175.460   2.0069  174.395   2.0028 1.064362 2.835289 
1 1 1   11   10    5 o  253.144   2.0779  8610.79  141.279  8594.38  209.348  8624.52  191.446  252.817   3.0830  253.286   2.8141 -0.4692383 4.174209 
1 1 1   11   10    6 o  233.523   1.9266  7327.17  120.839  7305.84  178.902  7345.06  163.870  233.115   2.8573  233.760   2.6100 -0.6458130 3.869893 
1 1 1   11   10    7 o  228.032   1.8849  6986.52  115.448  7016.39  171.783  6961.93  155.906  228.453   2.7996  227.585   2.5505 0.8678741 3.787171 
1 1 1   11   10    8 o   79.714   0.9193  853.460   19.682  849.021   26.496  858.925   29.400   79.503   1.2408   79.963   1.3689 -0.4605103 1.847562 
1 1 1   11   10    9 o   99.926   1.4051  1341.34   37.712  1350.42   49.181  1328.37   58.750  100.254   1.8264   99.422   2.2001 0.8323975 2.859402 
1 1 1   11   10   10 o  194.101   1.7978  5061.98   93.727  5068.86  114.952  5048.34  161.890  194.210   2.2037  193.749   3.1109 0.4612427 3.812366 
1 1 1   11   10   11 o   71.974   0.8729  695.766   16.875  690.135   20.715  706.878   29.097   71.680   1.0759   72.538   1.4935 -0.8584595 1.840665 
1 1 1   11   10   12 o  113.592   1.0949  1733.16   33.404  1700.70   42.670  1784.55   53.684  112.516   1.4120  115.247   1.7343 -2.731331 2.236371 
1 1 1   11   10   13 o   67.058   0.7759  603.958   13.975  609.720   18.926  597.047   20.725   67.374   1.0458   66.669   1.1574 0.7051620 1.559914 
1 1 1   11   10   14 o  271.763   2.3331  9927.77  170.300  9986.83  269.906  9888.72  219.511  272.379   3.6893  271.143   3.0141 1.235687 4.764055 
1 1 1   11   10   15 o  172.356   1.5361  3991.19   71.111  4058.40  113.311  3947.53   91.336  173.745   2.4281  171.386   1.9841 2.359024 3.135695 
1 1 1   11   10   16 o  126.224   1.2532  2140.34   42.485  2163.23   57.321  2112.43   63.289  126.882   1.6820  125.375   1.8794 1.507080 2.522156 
1 1 1   11   10   17 o  200.792   1.6080  5417.40   86.720  5526.10  124.041  5313.48  121.285  202.741   2.2779  198.803   2.2714 3.937943 3.216831 
1 1 1   11   10   18 o   19.859   0.9807   52.974   5.2309   50.799   6.8806   55.951   8.0519   19.400   1.3285   20.352   1.4832 -0.9527016 1.991154 
1 1 1   11   10   19 o   56.625   0.7492  430.671   11.395  421.276   16.261  439.734   15.972   56.000   1.0811   57.214   1.0393 -1.214291 1.499690 
1 1 1   11   10   20 o  135.221   1.1474  2456.44   41.674  2467.00   59.041  2445.95   58.832  135.488   1.6224  134.908   1.6236 0.5796051 2.295288 
1 1 1   11   10   21 o   47.953   0.7146  308.854   9.2040  320.138   12.838  296.919   13.203   48.817   0.9791   47.013   1.0456 1.804554 1.432419 
1 1 1   11   10   22 o   88.868   0.8918  1060.88   21.287  1053.19   28.733  1070.22   31.692   88.536   1.2083   89.244   1.3221 -0.7086029 1.791089 
1 1 1   11   10   23 o   90.295   0.9074  1095.28   22.007  1100.88   32.555  1090.58   29.863   90.509   1.3392   90.089   1.2342 0.4198608 1.821142 
1 1 1   11   10   24 o   28.536   0.8975  109.394   6.8788  118.539   8.6414   93.576   11.365   29.702   1.0832   26.333   1.6147 3.369478 1.944328 
1 1 1   11   10   25 o   52.590   0.7510  371.514   10.607  376.016   14.168  365.772   16.001   52.902   0.9971   52.172   1.1418 0.7294044 1.515931 
1 1 1   11   10   26 o   22.586   0.8810   68.536   5.3448   59.983   7.0053   80.452   8.2679   21.089   1.2422   24.433   1.2642 -3.344004 1.772388 
1 1 1   11   10   27 o   97.369   1.0060  1273.97   26.310  1270.06   41.674  1276.56   33.927   97.177   1.5966   97.449   1.2962 -0.2726822 2.056554 
1 1 1   11   10   28 o   49.529   0.8414  329.597   11.193  325.343   18.896  331.897   13.893   49.188   1.4303   49.696   1.0408 -0.5080566 1.768892 
1 1 1   11   10   29 o   38.582   0.8609  200.012   8.9211  203.163   14.788  198.210   11.186   38.868   1.4165   38.402   1.0845 0.4658012 1.783980 
1 1 1   11   10   30 o  109.507   0.9899  1611.60   29.114  1644.70   41.483  1579.46   40.871  110.587   1.3966  108.370   1.4042 2.216660 1.980447 
1 1 1   11   10   31 o  104.953   1.0099  1480.49   28.469  1443.35   41.677  1512.97   38.980  103.579   1.4981  106.063   1.3683 -2.484367 2.028932 
1 1 1   11   10   32 o   27.866   0.9200  104.356   6.8856  107.168   10.926  102.504   8.8684   28.187   1.4481   27.610   1.1959 0.5761662 1.878022 
1 1 1   11   10   33 o   52.173   0.8403  365.798   11.776  357.349   17.834  372.328   15.680   51.544   1.2882   52.623   1.1093 -1.079857 1.700040 
1 1 1   11   10   34 o   56.601   0.7364  430.493   11.195  413.009   14.149  459.766   18.308   55.430   0.9504   58.469   1.1658 -3.039459 1.504076 
1 1 1   11   10   35 o   26.535   0.9058   94.648   6.4554   99.501   8.3945   87.626   10.098   27.198   1.1491   25.467   1.4827 1.730755 1.875892 
1 1 1   11   10   36 o   20.565   1.1561   57.076   6.3596   54.846   7.1392   65.643   13.996   20.142   1.3271   21.892   2.4208 -1.750278 2.760685 
1 1 1   11   10   37 o   53.170   0.7241  379.968   10.340  388.513   13.774  368.935   15.652   53.749   0.9541   52.365   1.1128 1.384708 1.465867 
1 1 1   11   10   38 o   27.555   0.8926  102.105   6.6060  101.754   8.9471  102.526   9.7950   27.493   1.2116   27.590   1.3218 -0.9781837E-01 1.793091 
1 1 1   11   10   39 o   14.439   1.4371   28.378   5.4994   29.654   7.3814   26.786   8.2446   14.690   1.9165   13.880   2.2916 0.8100719 2.987348 
1 1 1   11   10   40 o   7.4090   2.3641   7.2970   5.3070   9.5913   7.0360   4.2691   8.0829   8.4902   2.7235   7.2544   2.8454 1.235765 3.938716 
1 1 1   11   10   41 o   41.052   0.7928  226.609   8.7416  226.750   12.107  226.455   12.634   41.041   1.0984   41.010   1.1470 0.3115082E-01 1.588099 
1 1 1   11   10   42 f   7.8873   2.4551   8.4139   5.7566   12.502   8.3072   4.6371   7.9845   9.5581   2.9450   7.3063   2.8384 2.251750 4.090167 
1 1 1   11   10   43 o   25.223   1.1011   85.680   7.4596   82.615   9.5703   90.426   11.908   24.701   1.4489   25.803   1.7282 -1.101946 2.255167 
1 1 1   11   10   44 o   31.385   0.9878  132.609   8.3266  128.620   10.640  138.913   13.375   30.883   1.2827   32.064   1.5531 -1.180977 2.014275 
1 1 1   11   10   45 o   32.583   0.9096  142.900   7.9602  137.007   10.976  149.438   11.561   31.867   1.2824   33.281   1.2934 -1.413082 1.821350 
1 1 1   11   10   46 o   55.360   0.9284  412.651   13.805  406.306   19.297  419.301   19.756   54.862   1.3096   55.731   1.3198 -0.8681870 1.859276 
1 1 1   11   10   47 o   17.723   1.5346   42.810   7.2330   37.451   10.824   47.133   9.7225   16.350   2.5479   18.516   1.9860 -2.166405 3.230459 
1 1 1   11   10   48 o   27.474   1.1071  101.777   8.1697   97.398   10.933  107.315   12.294   26.786   1.5260   28.098   1.6361 -1.312746 2.237235 
1 1 1   11   10   49 o   10.181   2.4536   14.754   6.6305   11.977   8.8231   18.357   10.050   9.4172   3.0529   11.336   3.1746 -1.918548 4.404329 
1 1 1   11   10   50 o   31.531   0.9980  133.970   8.4519  125.074   11.633  143.917   12.301   30.412   1.4241   32.626   1.4037 -2.213799 1.999600 
1 1 1   11   10   51 o   14.896   1.8550   30.621   7.2610   21.355   10.779   38.320   9.8247   12.164   3.2408   16.593   2.2635 -4.429257 3.952948 
1 1 1   11   10   52 o   30.074   1.1994  122.167   9.6879  125.503   16.258  120.330   12.064   30.260   2.0118   29.758   1.5143 0.5015774 2.518040 
1 1 1   11   10   53 o   28.390   1.2538  109.033   9.5603  104.701   13.565  113.308   13.476   27.647   1.8372   28.791   1.7509 -1.143738 2.537926 
1 1 1   11   10   54 o   38.098   1.2463  196.583   12.753  198.717   16.593  193.504   19.934   38.193   1.6175   37.506   1.9859 0.6876869 2.561309 
1 1 1   11   10   55 o   18.843   2.3292   50.006   11.537   31.860   18.979   60.641   14.530   14.369   4.4553   20.628   2.6863 -6.258711 5.202504 
1 1 1   11   10   56 o   11.601   3.2199   20.107   10.388   15.017   16.906   23.194   13.166   10.930   4.1599   12.371   3.6861 -1.441029 5.558057 
1 1 1   11   10   57 o   11.591   3.5102   20.401   11.869   30.819   17.494   11.516   16.156   13.896   4.2723   10.128   4.0066 3.768052 5.857053 
1 1 1   11   10   58 o   19.593   2.5691   55.689   13.194   57.432   19.996   54.345   17.559   18.928   4.0551   18.703   3.6264 0.2256927 5.440090 
1 1 1   11   11    0 o  221.290   2.7191  6579.88  161.613  6466.87  206.579  6758.17  259.467  219.343   3.5065  224.179   4.3092 -4.835327 5.555590 
1 1 1   11   11    1 o  258.840   2.2263  9003.95  154.776  9211.40  202.712  8713.96  239.673  261.741   2.8835  254.503   3.5062 7.238190 4.539566 
1 1 1   11   11    2 o  154.681   1.3966  3214.09   58.024  3257.19   75.545  3152.09   90.610  155.700   1.8065  153.150   2.2028 2.550156 2.848768 
1 1 1   11   11    3 o   76.868   0.9626  793.612   19.874  803.333   25.302  777.953   32.114   77.334   1.2181   76.097   1.5712 1.236885 1.988088 
1 1 1   11   11    4 o  146.408   1.3335  2879.42   52.438  2886.32   67.827  2869.17   82.674  146.570   1.7229  146.118   2.1066 0.4519196 2.721400 
1 1 1   11   11    5 f   81.780   0.9348  898.284   20.534  885.518   27.515  914.329   30.847   81.193   1.2617   82.501   1.3921 -1.308128 1.878796 
1 1 1   11   11    6 o   67.823   0.9121  617.834   16.616  634.893   23.942  601.984   23.079   68.749   1.2966   66.943   1.2836 1.805252 1.824495 
1 1 1   11   11    7 o  126.962   1.2539  2165.28   42.760  2150.18   57.308  2184.25   64.224  126.506   1.6866  127.497   1.8754 -0.9916000 2.522277 
1 1 1   11   11    8 o  135.593   1.2543  2469.70   45.682  2414.97   71.444  2507.56   59.415  134.057   1.9842  136.617   1.6192 -2.559891 2.561023 
1 1 1   11   11    9 o  199.676   1.6703  5356.91   89.579  5269.52  131.626  5432.31  122.260  197.987   2.4752  201.038   2.2642 -3.051559 3.354580 
1 1 1   11   11   10 o  125.308   1.3199  2109.35   44.423  2177.98   74.366  2071.28   55.392  127.298   2.1750  124.161   1.6610 3.136742 2.736694 
1 1 1   11   11   11 o  163.213   1.4637  3578.80   64.165  3577.60   90.683  3580.01   90.805  163.155   2.0693  163.210   2.0714 -0.5482483E-01 2.927972 
1 1 1   11   11   12 o   46.695   0.7957  292.851   9.9799  288.679   13.086  298.649   15.428   46.359   1.0510   47.151   1.2183 -0.7920723 1.608955 
1 1 1   11   11   13 o  213.038   1.8582  6099.19  106.326  6095.45  167.719  6101.71  137.484  212.865   2.9335  213.034   2.4028 -0.1684723 3.791928 
1 1 1   11   11   14 o   72.297   0.8446  702.056   16.401  689.684   22.962  714.942   23.434   71.652   1.1931   72.952   1.1960 -1.300163 1.689332 
1 1 1   11   11   15 o  117.078   1.0252  1841.25   32.238  1806.26   45.042  1878.00   46.162  115.947   1.4463  118.227   1.4537 -2.279808 2.050635 
1 1 1   11   11   16 o   84.384   0.8337  956.425   18.896  964.503   26.702  948.323   26.743   84.732   1.1733   84.018   1.1850 0.7139740 1.667623 
1 1 1   11   11   17 o  183.133   1.4814  4506.51   72.866  4542.63  103.466  4470.97  102.636  183.814   2.0957  182.358   2.0955 1.455612 2.963601 
1 1 1   11   11   18 o  118.822   1.0394  1896.63   33.171  1847.78   46.173  1948.73   47.684  117.264   1.4660  120.424   1.4742 -3.160233 2.079071 
1 1 1   11   11   19 o  112.213   0.9975  1691.52   30.064  1706.51   42.609  1676.66   42.426  112.692   1.4077  111.702   1.4141 0.9900436 1.995352 
1 1 1   11   11   20 o   65.726   0.7872  580.265   13.898  591.531   18.703  566.377   20.767   66.356   1.0494   64.926   1.1909 1.429596 1.587261 
1 1 1   11   11   21 o   74.003   0.7830  735.633   15.564  744.718   21.976  726.489   22.047   74.451   1.0990   73.533   1.1163 0.9173126 1.566467 
1 1 1   11   11   22 o   79.648   0.8452  852.207   18.081  823.068   26.104  879.083   25.069   78.262   1.2418   80.884   1.1539 -2.622757 1.695197 
1 1 1   11   11   23 o   33.826   0.7998  153.703   7.2662  154.268   9.2388  152.786   11.765   33.885   1.0151   33.716   1.2991 0.1683006 1.648716 
1 1 1   11   11   24 o   68.567   0.7927  631.578   14.599  653.656   21.547  612.841   19.850   69.742   1.1502   67.532   1.0944 2.210289 1.587660 
1 1 1   11   11   25 o   72.503   0.8966  706.268   17.460  706.214   25.804  706.313   23.713   72.481   1.3255   72.491   1.2179 -0.1068115E-01 1.800042 
1 1 1   11   11   26 o   66.919   0.9342  601.721   16.791  580.098   26.033  617.123   21.972   65.679   1.4757   67.758   1.2073 -2.078636 1.906628 
1 1 1   11   11   27 o  100.986   1.0231  1370.53   27.750  1380.43   43.602  1363.79   35.978  101.298   1.6025  100.713   1.3300 0.5853806 2.082561 
1 1 1   11   11   28 o  131.283   1.2346  2317.15   43.532  2315.47   68.347  2318.29   56.468  131.130   1.9405  131.266   1.6016 -0.1365051 2.516115 
1 1 1   11   11   29 o   89.508   0.9165  1076.62   22.034  1081.36   32.716  1072.68   29.809   89.670   1.3584   89.320   1.2425 0.3500137 1.840932 
1 1 1   11   11   30 o   63.483   0.7964  541.513   13.580  561.088   20.190  525.341   18.351   64.601   1.1636   62.514   1.0930 2.087605 1.596399 
1 1 1   11   11   31 o   72.254   0.8734  701.597   16.950  689.381   23.602  714.607   24.358   71.599   1.2273   72.896   1.2441 -1.296883 1.747576 
1 1 1   11   11   32 o   50.717   0.7676  345.638   10.456  351.641   13.890  337.788   15.884   51.145   1.0111   50.118   1.1800 1.026745 1.553949 
1 1 1   11   11   33 o   42.775   0.7560  245.877   8.6855  241.486   11.280  252.273   13.613   42.382   0.9909   43.309   1.1703 -0.9270630 1.533416 
1 1 1   11   11   34 o   42.796   0.7974  246.154   9.1660  240.721   11.379  256.195   15.469   42.311   1.0013   43.630   1.3200 -1.318718 1.656810 
1 1 1   11   11   35 o   35.661   0.8941  170.972   8.5639  178.955   10.999  158.684   13.647   36.472   1.1228   34.322   1.4804 2.150059 1.858047 
1 1 1   11   11   36 o   50.238   0.7551  339.241   10.189  334.796   13.976  344.283   14.884   49.887   1.0430   50.585   1.0955 -0.6974602 1.512646 
1 1 1   11   11   37 o   76.780   0.8271  792.625   17.058  806.627   23.958  778.231   24.292   77.413   1.1522   76.032   1.1895 1.380470 1.656091 
1 1 1   11   11   38 o   25.513   0.9105   87.548   6.2393   84.185   8.3554   91.786   9.3807   25.002   1.2443   26.065   1.3445 -1.063646 1.831909 
1 1 1   11   11   39 o   67.206   0.8509  607.432   15.360  618.096   21.685  596.694   21.760   67.748   1.1917   66.560   1.2171 1.187263 1.703407 
1 1 1   11   11   40 o   38.285   0.8481  197.131   8.7211  192.935   12.443  201.182   12.227   37.845   1.2241   38.649   1.1778 -0.8047867 1.698747 
1 1 1   11   11   41 o   30.175   0.9252  122.511   7.4987  115.208   10.775  129.369   10.442   29.229   1.3725   30.984   1.2547 -1.754820 1.859639 
1 1 1   11   11   42 o   38.168   0.8203  195.955   8.4090  193.468   11.557  198.753   12.257   37.898   1.1354   38.406   1.1882 -0.5085678 1.643513 
1 1 1   11   11   43 o   21.444   1.1195   62.121   6.4254   50.310   8.5494   77.452   9.7406   19.215   1.6733   23.896   1.5256 -4.681126 2.264343 
1 1 1   11   11   44 o   19.320   1.3033   50.595   6.7237   44.876   8.5905   59.637   10.803   18.113   1.7892   20.873   1.9494 -2.760708 2.646019 
1 1 1   11   11   45 o   31.807   0.9440  136.235   8.0650  137.761   10.729  134.252   12.228   31.952   1.2502   31.517   1.4445 0.4347954 1.910431 
1 1 1   11   11   46 o   49.047   0.8820  323.876   11.619  324.217   15.194  323.397   18.032   49.029   1.1538   48.923   1.3723 0.1056366 1.792882 
1 1 1   11   11   47 f   51.035   0.8725  350.682   11.960  361.690   16.726  339.165   17.108   51.771   1.2029   50.118   1.2709 1.652046 1.749869 
1 1 1   11   11   48 o   14.794   1.6465   30.019   6.4314   33.887   8.6128   25.144   9.6694   15.633   2.1047   13.270   2.8009 2.363121 3.503550 
1 1 1   11   11   49 o   27.207   1.1344   99.856   8.2898  105.719   12.172   94.785   11.321   27.882   1.6325   26.401   1.6041 1.480391 2.288718 
1 1 1   11   11   50 o   22.087   1.3603   66.207   8.0307   61.718   11.864   70.003   10.910   21.164   2.1155   22.625   1.8104 -1.461340 2.784434 
1 1 1   11   11   51 o   7.9366   2.7729   7.8659   7.2775   17.273   10.499  -0.8333   10.096   11.015   3.2939   6.8586   2.9712 4.155956 4.435961 
1 1 1   11   11   52 o   28.389   1.2224  108.977   9.3211  107.188   12.933  110.911   13.445   28.009   1.7276   28.482   1.7663 -0.4730740 2.470690 
1 1 1   11   11   53 o   15.585   2.1522   34.010   8.7688   34.932   11.095   32.475   14.313   15.611   2.7463   14.759   3.6347 0.8518305 4.555613 
1 1 1   11   11   54 o   51.241   1.9630  361.200   27.016  379.500   38.259  343.000   38.155   51.866   2.7563   49.175   2.9016 2.691212 4.002057 
1 1 1   11   11   55 o   15.440   3.0920   35.261   12.376   36.817   17.086   33.545   17.949   15.363   4.0742   14.615   4.2909 0.7483053 5.916972 
1 1 1   11   11   56 o   31.383   2.0115  137.320   16.866  121.400   27.871  146.520   21.186   28.250   3.7671   32.123   2.4746 -3.872705 4.507129 
1 1 1   11   11   57 o   9.9412   3.5317   13.920   11.843   17.100   17.467   11.214   16.113   11.133   4.2304   9.9804   3.9845 1.152141 5.811409 
1 1 1   12    0  -61 o   6.6313   4.3659   2.6638   19.810   2.6638   19.810   2.6638   19.810   6.6313   4.3659   6.6313   4.3659 0.000000 0.000000 
1 1 1   12    0  -60 f   20.675   3.0962   64.779   16.057   64.779   16.057   64.779   16.057   20.675   3.0962   20.675   3.0962 0.000000 0.000000 
1 1 1   12    0  -59 o   14.219   3.0387   31.801   10.195   31.801   10.195   31.801   10.195   14.219   3.0387   14.219   3.0387 0.000000 0.000000 
1 1 1   12    0  -58 o   62.368   1.2429  527.133   20.802  527.133   20.802  527.133   20.802   62.368   1.2429   62.368   1.2429 0.000000 0.000000 
1 1 1   12    0  -57 o   30.823   1.7189  130.331   14.129  130.331   14.129  130.331   14.129   30.823   1.7189   30.823   1.7189 0.000000 0.000000 
1 1 1   12    0  -56 o   4.4155   2.9898  -4.6836   10.509  -4.6836   10.509  -4.6836   10.509   4.4155   2.9898   4.4155   2.9898 0.000000 0.000000 
1 1 1   12    0  -55 o   13.569   3.0409   28.679   9.6763   28.679   9.6763   28.679   9.6763   13.569   3.0409   13.569   3.0409 0.000000 0.000000 
1 1 1   12    0  -54 o   39.116   1.4999  207.674   15.705  207.674   15.705  207.674   15.705   39.116   1.4999   39.116   1.4999 0.000000 0.000000 
1 1 1   12    0  -53 o   13.996   2.9108   29.942   9.6498   29.942   9.6498   29.942   9.6498   13.996   2.9108   13.996   2.9108 -0.000000 0.000000 
1 1 1   12    0  -52 o   8.2474   3.7109   13.592   8.7990   13.592   8.7990   13.592   8.7990   8.2474   3.7109   8.2474   3.7109 0.000000 0.000000 
1 1 1   12    0  -51 o   27.199   1.4743  100.735   10.698  100.735   10.698  100.735   10.698   27.199   1.4743   27.199   1.4743 0.000000 0.000000 
1 1 1   12    0  -50 o   6.4760   3.4643   8.3091   8.2416   8.3091   8.2416   8.3091   8.2416   6.4760   3.4643   6.4760   3.4643 -0.000000 0.000000 
1 1 1   12    0  -49 o   11.249   3.3863   21.307   8.9194   21.307   8.9194   21.307   8.9194   11.249   3.3863   11.249   3.3863 -0.000000 0.000000 
1 1 1   12    0  -48 o   44.679   1.2989  269.524   15.558  269.524   15.558  269.524   15.558   44.679   1.2989   44.679   1.2989 -0.000000 0.000000 
1 1 1   12    0  -47 o   22.451   1.5619   68.913   9.3137   68.913   9.3137   68.913   9.3137   22.451   1.5619   22.451   1.5619 0.000000 0.000000 
1 1 1   12    0  -46 o   43.777   1.1423  258.353   13.411  258.353   13.411  258.353   13.411   43.777   1.1423   43.777   1.1423 -0.000000 0.000000 
1 1 1   12    0  -45 o   6.9346   4.2579   5.6103   15.304   5.6103   15.304   5.6103   15.304   6.9346   4.2579   6.9346   4.2579 -0.000000 0.000000 
1 1 1   12    0  -44 o   49.143   1.2485  325.536   16.455  325.536   16.455  325.536   16.455   49.143   1.2485   49.143   1.2485 -0.000000 0.000000 
1 1 1   12    0  -43 o   84.950   1.5425  972.437   35.169  972.437   35.169  972.437   35.169   84.950   1.5425   84.950   1.5425 -0.000000 0.000000 
1 1 1   12    0  -42 o   24.225   1.3877   79.718   8.9615   79.718   8.9615   79.718   8.9615   24.225   1.3877   24.225   1.3877 -0.000000 0.000000 
1 1 1   12    0  -41 o   52.455   1.0874  370.328   15.305  370.328   15.305  370.328   15.305   52.455   1.0874   52.455   1.0874 0.000000 0.000000 
1 1 1   12    0  -40 o   8.3475   3.3008   12.953   7.1232   12.953   7.1232   12.953   7.1232   8.3475   3.3008   8.3475   3.3008 -0.000000 0.000000 
1 1 1   12    0  -39 f   23.220   1.3854   73.253   8.5700   73.253   8.5700   73.253   8.5700   23.220   1.3854   23.220   1.3854 0.000000 0.000000 
1 1 1   12    0  -38 o   36.314   1.3368  177.971   12.998  177.971   12.998  177.971   12.998   36.314   1.3368   36.314   1.3368 0.000000 0.000000 
1 1 1   12    0  -37 o   94.294   1.4181  1195.92   35.898  1195.92   35.898  1195.92   35.898   94.294   1.4181   94.294   1.4181 0.000000 0.000000 
1 1 1   12    0  -36 o   95.177   1.2845  1217.97   32.822  1217.97   32.822  1217.97   32.822   95.177   1.2845   95.177   1.2845 -0.000000 0.000000 
1 1 1   12    0  -35 f   20.590   1.5968   58.006   8.7089   58.006   8.7089   58.006   8.7089   20.590   1.5968   20.590   1.5968 0.000000 0.000000 
1 1 1   12    0  -34 o   36.025   1.1731  174.917   11.324  174.917   11.324  174.917   11.324   36.025   1.1731   36.025   1.1731 0.000000 0.000000 
1 1 1   12    0  -33 o   65.831   1.2816  582.908   22.642  582.908   22.642  582.908   22.642   65.831   1.2816   65.831   1.2816 0.000000 0.000000 
1 1 1   12    0  -32 o  206.814   2.3440  5753.31  130.169  5753.31  130.169  5753.31  130.169  206.814   2.3440  206.814   2.3440 0.000000 0.000000 
1 1 1   12    0  -31 o  107.839   1.3800  1563.07   39.956  1563.07   39.956  1563.07   39.956  107.839   1.3800  107.839   1.3800 0.000000 0.000000 
1 1 1   12    0  -30 o   22.202   1.2620   66.855   7.4702   66.855   7.4702   66.855   7.4702   22.202   1.2620   22.202   1.2620 -0.000000 0.000000 
1 1 1   12    0  -29 o   84.840   1.3174  967.566   30.004  967.566   30.004  967.566   30.004   84.840   1.3174   84.840   1.3174 0.000000 0.000000 
1 1 1   12    0  -28 o   31.537   1.2767  134.246   10.774  134.246   10.774  134.246   10.774   31.537   1.2767   31.537   1.2767 -0.000000 0.000000 
1 1 1   12    0  -27 o  170.947   1.9735  3927.63   90.586  3927.63   90.586  3927.63   90.586  170.947   1.9735  170.947   1.9735 0.000000 0.000000 
1 1 1   12    0  -26 o   79.945   1.1369  858.926   24.401  858.926   24.401  858.926   24.401   79.945   1.1369   79.945   1.1369 0.000000 0.000000 
1 1 1   12    0  -25 o   47.897   1.4299  308.960   18.358  308.960   18.358  308.960   18.358   47.897   1.4299   47.897   1.4299 -0.000000 0.000000 
1 1 1   12    0  -24 o  123.340   1.6468  2044.49   54.534  2044.49   54.534  2044.49   54.534  123.340   1.6468  123.340   1.6468 -0.000000 0.000000 
1 1 1   12    0  -23 o  208.842   2.8834  5863.87  161.672  5863.87  161.672  5863.87  161.672  208.842   2.8834  208.842   2.8834 0.000000 0.000000 
1 1 1   12    0  -22 o   14.936   1.3099   30.648   5.1618   30.648   5.1618   30.648   5.1618   14.936   1.3099   14.936   1.3099 -0.000000 0.000000 
1 1 1   12    0  -21 o  118.923   1.5936  1900.60   50.881  1900.60   50.881  1900.60   50.881  118.923   1.5936  118.923   1.5936 -0.000000 0.000000 
1 1 1   12    0  -20 o  397.889   4.7732 21296.89  509.943 21296.89  509.943 21296.89  509.943  397.889   4.7732  397.889   4.7732 -0.000000 0.000000 
1 1 1   12    0  -19 o  108.290   1.6837  1576.22   48.946  1576.22   48.946  1576.22   48.946  108.290   1.6837  108.290   1.6837 0.000000 0.000000 
1 1 1   12    0  -18 o   69.444   1.8616  649.142   34.666  649.142   34.666  649.142   34.666   69.444   1.8616   69.444   1.8616 0.000000 0.000000 
1 1 1   12    0  -17 o  149.979   3.0574  3025.95  123.045  3025.95  123.045  3025.95  123.045  149.979   3.0574  149.979   3.0574 -0.000000 0.000000 
1 1 1   12    0  -16 o  303.548   4.7405 12395.63  386.286 12395.63  386.286 12395.63  386.286  303.548   4.7405  303.548   4.7405 -0.000000 0.000000 
1 1 1   12    0  -15 o  195.404   2.7165  5132.25  142.510  5132.25  142.510  5132.25  142.510  195.404   2.7165  195.404   2.7165 0.000000 0.000000 
1 1 1   12    0  -14 o  611.908   8.1539 50430.13  1339.58 50430.13  1339.58 50430.13  1339.58  611.908   8.1539  611.908   8.1539 0.000000 0.000000 
1 1 1   12    0  -13 o  288.085   3.9002 11157.06  301.660 11157.06  301.660 11157.06  301.660  288.085   3.9002  288.085   3.9002 -0.000000 0.000000 
1 1 1   12    0  -12 o  546.143   7.2804 40136.75  1067.53 40136.75  1067.53 40136.75  1067.53  546.143   7.2804  546.143   7.2804 0.000000 0.000000 
1 1 1   12    0  -11 o   25.596   1.4118   88.791   9.6384   88.791   9.6384   88.791   9.6384   25.596   1.4118   25.596   1.4118 -0.000000 0.000000 
1 1 1   12    0  -10 o  104.197   1.6244  1459.20   45.435  1459.20   45.435  1459.20   45.435  104.197   1.6244  104.197   1.6244 0.000000 0.000000 
1 1 1   12    0   -9 o  151.741   2.1715  3094.40   88.464  3094.40   88.464  3094.40   88.464  151.741   2.1715  151.741   2.1715 0.000000 0.000000 
1 1 1   12    0   -8 o  491.667   5.8650 32497.54  774.266 32497.54  774.266 32497.54  774.266  491.667   5.8650  491.667   5.8650 -0.000000 0.000000 
1 1 1   12    0   -7 o  263.555   2.9184  9333.04  206.535  9333.04  206.535  9333.04  206.535  263.555   2.9184  263.555   2.9184 0.000000 0.000000 
1 1 1   12    0   -6 o  200.239   2.4748  5387.62  133.053  5387.62  133.053  5387.62  133.053  200.239   2.4748  200.239   2.4748 -0.000000 0.000000 
1 1 1   12    0   -5 o  327.469   3.5972 14409.21  316.306 14409.21  316.306 14409.21  316.306  327.469   3.5972  327.469   3.5972 -0.000000 0.000000 
1 1 1   12    0   -4 o  254.741   2.8252  8719.00  193.252  8719.00  193.252  8719.00  193.252  254.741   2.8252  254.741   2.8252 0.000000 0.000000 
1 1 1   12    0   -3 o  237.279   2.6432  7564.52  168.404  7564.52  168.404  7564.52  168.404  237.279   2.6432  237.279   2.6432 -0.000000 0.000000 
1 1 1   12    0   -2 f  192.503   2.3859  4979.33  123.318  4979.33  123.318  4979.33  123.318  192.503   2.3859  192.503   2.3859 -0.000000 0.000000 
1 1 1   12    0   -1 o  142.553   2.9040  2732.78  111.086  2732.78  111.086  2732.78  111.086  142.553   2.9040  142.553   2.9040 -0.000000 0.000000 
1 1 1   12    0    0 o  625.594   8.3204 52634.27  1397.51 52634.27  1397.51 52634.27  1397.51  625.594   8.3204  625.594   8.3204 -0.000000 0.000000 
1 1 1   12    0    1 o  615.875   9.4645 51034.30  1564.77 51034.30  1564.77 51034.30  1564.77  615.875   9.4645  615.875   9.4645 0.000000 0.000000 
1 1 1   12    0    2 f  250.196   3.9318  8414.57  264.073  8414.57  264.073  8414.57  264.073  250.196   3.9318  250.196   3.9318 0.000000 0.000000 
1 1 1   12    0    3 o  523.654   6.9783 36869.39  981.100 36869.39  981.100 36869.39  981.100  523.654   6.9783  523.654   6.9783 -0.000000 0.000000 
1 1 1   12    0    4 o  401.426   4.8060 21657.00  518.018 21657.00  518.018 21657.00  518.018  401.426   4.8060  401.426   4.8060 0.000000 0.000000 
1 1 1   12    0    5 o  219.671   3.0133  6484.96  177.713  6484.96  177.713  6484.96  177.713  219.671   3.0133  219.671   3.0133 0.000000 0.000000 
1 1 1   12    0    6 o  512.836   6.1112 35354.83  841.507 35354.83  841.507 35354.83  841.507  512.836   6.1112  512.836   6.1112 -0.000000 0.000000 
1 1 1   12    0    7 o   40.674   1.0978  222.661   11.974  222.661   11.974  222.661   11.974   40.674   1.0978   40.674   1.0978 0.000000 0.000000 
1 1 1   12    0    8 o  372.361   4.9906 18638.64  498.923 18638.64  498.923 18638.64  498.923  372.361   4.9906  372.361   4.9906 0.000000 0.000000 
1 1 1   12    0    9 o  512.416   6.1072 35302.70  840.274 35302.70  840.274 35302.70  840.274  512.416   6.1072  512.416   6.1072 0.000000 0.000000 
1 1 1   12    0   11 o  262.899   3.5720  9289.98  252.120  9289.98  252.120  9289.98  252.120  262.899   3.5720  262.899   3.5720 -0.000000 0.000000 
1 1 1   12    0   12 o  751.718   10.006 76138.10  2019.38 76138.10  2019.38 76138.10  2019.38  751.718   10.006  751.718   10.006 -0.000000 0.000000 
1 1 1   12    0   13 o  504.038   6.0124 34171.50  813.705 34171.50  813.705 34171.50  813.705  504.038   6.0124  504.038   6.0124 -0.000000 0.000000 
1 1 1   12    0   14 o   62.778   1.3920  530.080   23.445  530.080   23.445  530.080   23.445   62.778   1.3920   62.778   1.3920 0.000000 0.000000 
1 1 1   12    0   15 o  258.329   2.8698  8968.38  199.069  8968.38  199.069  8968.38  199.069  258.329   2.8698  258.329   2.8698 -0.000000 0.000000 
1 1 1   12    0   16 o  282.116   3.1215 10697.09  236.464 10697.09  236.464 10697.09  236.464  282.116   3.1215  282.116   3.1215 0.000000 0.000000 
1 1 1   12    0   17 o   83.552   1.3972  938.380   31.335  938.380   31.335  938.380   31.335   83.552   1.3972   83.552   1.3972 0.000000 0.000000 
1 1 1   12    0   18 o  242.762   2.9648  7921.61  193.249  7921.61  193.249  7921.61  193.249  242.762   2.9648  242.762   2.9648 0.000000 0.000000 
1 1 1   12    0   19 o  250.826   2.7913  8455.66  187.994  8455.66  187.994  8455.66  187.994  250.826   2.7913  250.826   2.7913 0.000000 0.000000 
1 1 1   12    0   20 o  189.093   2.1522  4804.98  109.277  4804.98  109.277  4804.98  109.277  189.093   2.1522  189.093   2.1522 0.000000 0.000000 
1 1 1   12    0   21 o  371.243   4.0692 18533.19  405.646 18533.19  405.646 18533.19  405.646  371.243   4.0692  371.243   4.0692 -0.000000 0.000000 
1 1 1   12    0   22 o  174.520   2.1951  4093.40  102.856  4093.40  102.856  4093.40  102.856  174.520   2.1951  174.520   2.1951 0.000000 0.000000 
1 1 1   12    0   23 o   25.707   1.1961   89.333   8.2176   89.333   8.2176   89.333   8.2176   25.707   1.1961   25.707   1.1961 -0.000000 0.000000 
1 1 1   12    0   24 o   42.448   1.0671  242.452   12.148  242.452   12.148  242.452   12.148   42.448   1.0671   42.448   1.0671 -0.000000 0.000000 
1 1 1   12    0   25 o   2.8464   2.0071  -7.2734   6.1048  -7.2734   6.1048  -7.2734   6.1048   2.8464   2.0071   2.8464   2.0071 0.000000 0.000000 
1 1 1   12    0   26 o  175.977   2.2206  4162.71  104.921  4162.71  104.921  4162.71  104.921  175.977   2.2206  175.977   2.2206 0.000000 0.000000 
1 1 1   12    0   27 o  169.428   1.9612  3858.11   89.219  3858.11   89.219  3858.11   89.219  169.428   1.9612  169.428   1.9612 -0.000000 0.000000 
1 1 1   12    0   28 o   20.272   1.7122   56.382   9.1700   56.382   9.1700   56.382   9.1700   20.272   1.7122   20.272   1.7122 0.000000 0.000000 
1 1 1   12    0   29 o   99.818   1.6171  1339.59   43.329  1339.59   43.329  1339.59   43.329   99.818   1.6171   99.818   1.6171 0.000000 0.000000 
1 1 1   12    0   30 o  100.923   1.3304  1368.95   36.049  1368.95   36.049  1368.95   36.049  100.923   1.3304  100.923   1.3304 0.000000 0.000000 
1 1 1   12    0   31 o  110.959   1.5463  1655.12   46.065  1655.12   46.065  1655.12   46.065  110.959   1.5463  110.959   1.5463 0.000000 0.000000 
1 1 1   12    0   32 o  149.084   1.7680  2988.18   70.774  2988.18   70.774  2988.18   70.774  149.084   1.7680  149.084   1.7680 -0.000000 0.000000 
1 1 1   12    0   33 o   72.105   1.1247  698.958   21.769  698.958   21.769  698.958   21.769   72.105   1.1247   72.105   1.1247 -0.000000 0.000000 
1 1 1   12    0   34 o  186.257   2.3485  4668.96  117.445  4668.96  117.445  4668.96  117.445  186.257   2.3485  186.257   2.3485 0.000000 0.000000 
1 1 1   12    0   35 f   35.058   1.4249  165.993   13.367  165.993   13.367  165.993   13.367   35.058   1.4249   35.058   1.4249 -0.000000 0.000000 
1 1 1   12    0   36 o   5.3847   3.1132   4.8063   7.3015   4.8063   7.3015   4.8063   7.3015   5.3847   3.1132   5.3847   3.1132 0.000000 0.000000 
1 1 1   12    0   37 o   61.024   1.0904  500.845   17.859  500.845   17.859  500.845   17.859   61.024   1.0904   61.024   1.0904 -0.000000 0.000000 
1 1 1   12    0   38 o   86.236   1.3591  1000.35   31.462  1000.35   31.462  1000.35   31.462   86.236   1.3591   86.236   1.3591 -0.000000 0.000000 
1 1 1   12    0   39 f   56.198   1.0920  424.897   16.470  424.897   16.470  424.897   16.470   56.198   1.0920   56.198   1.0920 0.000000 0.000000 
1 1 1   12    0   40 o   82.249   1.2140  909.934   26.805  909.934   26.805  909.934   26.805   82.249   1.2140   82.249   1.2140 0.000000 0.000000 
1 1 1   12    0   41 o   62.369   1.1128  523.381   18.628  523.381   18.628  523.381   18.628   62.369   1.1128   62.369   1.1128 0.000000 0.000000 
1 1 1   12    0   42 o  109.630   1.4299  1617.80   42.088  1617.80   42.088  1617.80   42.088  109.630   1.4299  109.630   1.4299 0.000000 0.000000 
1 1 1   12    0   43 o   26.616   1.3902   96.096   9.8765   96.096   9.8765   96.096   9.8765   26.616   1.3902   26.616   1.3902 0.000000 0.000000 
1 1 1   12    0   44 o  102.830   1.3756  1423.89   37.977  1423.89   37.977  1423.89   37.977  102.830   1.3756  102.830   1.3756 -0.000000 0.000000 
1 1 1   12    0   45 o   25.791   1.6751   90.763   11.492   90.763   11.492   90.763   11.492   25.791   1.6751   25.791   1.6751 -0.000000 0.000000 
1 1 1   12    0   46 o   32.700   1.2981  144.608   11.360  144.608   11.360  144.608   11.360   32.700   1.2981   32.700   1.2981 -0.000000 0.000000 
1 1 1   12    0   47 o   55.360   1.1451  412.920   17.010  412.920   17.010  412.920   17.010   55.360   1.1451   55.360   1.1451 -0.000000 0.000000 
1 1 1   12    0   48 o   38.089   1.3215  196.101   13.483  196.101   13.483  196.101   13.483   38.089   1.3215   38.089   1.3215 -0.000000 0.000000 
1 1 1   12    0   49 o   8.2638   3.8787   13.751   9.6591   13.751   9.6591   13.751   9.6591   8.2638   3.8787   8.2638   3.8787 0.000000 0.000000 
1 1 1   12    0   50 o   41.188   1.4430  229.686   15.919  229.686   15.919  229.686   15.919   41.188   1.4430   41.188   1.4430 0.000000 0.000000 
1 1 1   12    0   51 o   8.8675   3.9519   15.681   9.9822   15.681   9.9822   15.681   9.9822   8.8675   3.9519   8.8675   3.9519 -0.000000 0.000000 
1 1 1   12    0   52 o   8.6646   3.8194   14.910   9.3277   14.910   9.3277   14.910   9.3277   8.6646   3.8194   8.6646   3.8194 0.000000 0.000000 
1 1 1   12    0   53 o   7.1678   3.7794   10.425   9.6909   10.425   9.6909   10.425   9.6909   7.1678   3.7794   7.1678   3.7794 -0.000000 0.000000 
1 1 1   12    0   54 o   66.272   1.2451  593.012   22.146  593.012   22.146  593.012   22.146   66.272   1.2451   66.272   1.2451 0.000000 0.000000 
1 1 1   12    0   55 o   87.090   1.4979  1026.49   35.015  1026.49   35.015  1026.49   35.015   87.090   1.4979   87.090   1.4979 0.000000 0.000000 
1 1 1   12    0   56 o   30.038   1.8224  123.895   14.579  123.895   14.579  123.895   14.579   30.038   1.8224   30.038   1.8224 0.000000 0.000000 
1 1 1   12    0   57 o   14.014   3.1973   30.998   10.486   30.998   10.486   30.998   10.486   14.014   3.1973   14.014   3.1973 0.000000 0.000000 
1 1 1   12    0   58 o   20.784   2.5309   62.306   13.569   62.306   13.569   62.306   13.569   20.784   2.5309   20.784   2.5309 0.000000 0.000000 
1 1 1   12    0   59 o   13.236   3.9150   30.640   12.103   30.640   12.103   30.640   12.103   13.236   3.9150   13.236   3.9150 0.000000 0.000000 
1 1 1   12    0   60 f   11.822   4.3486   27.390   12.771   27.390   12.771   27.390   12.771   11.822   4.3486   11.822   4.3486 0.000000 0.000000 
1 1 1   12    0   61 o   6.1905   3.8069   6.5063   12.276   6.5063   12.276   6.5063   12.276   6.1905   3.8069   6.1905   3.8069 0.000000 0.000000 
1 1 1   12    1  -61 o   33.111   2.5532  155.734   22.531  135.500   31.440  177.100   32.307   29.701   4.0464   34.490   3.5375 -4.789145 5.374696 
1 1 1   12    1  -60 o   10.639   3.7532   15.488   13.353   20.407   19.210   10.891   18.573   12.175   4.4745   10.566   4.2568 1.609426 6.175863 
1 1 1   12    1  -59 o   42.466   0.9935  243.593   11.332  262.928   15.869  223.480   16.186   44.014   1.3424   40.530   1.4869 3.484207 2.003177 
1 1 1   12    1  -58 o   23.086   1.4841   72.647   9.1534   62.697   12.808   83.035   13.086   21.220   2.2831   24.545   2.0025 -3.324459 3.036864 
1 1 1   12    1  -57 o   4.4048   2.0936  -8.2651   6.7397 -19.8323   9.5415   3.2531   9.5213   4.5148   2.2233   7.4094   3.0248 -2.894663 3.753969 
1 1 1   12    1  -56 o   43.580   0.9222  255.836   10.794  276.137   15.093  234.577   15.445   45.221   1.2426   41.652   1.3805 3.568375 1.857397 
1 1 1   12    1  -55 o   19.143   1.4768   49.844   7.5347   56.089   10.898   44.125   10.429   20.206   2.0358   17.856   2.2226 2.349913 3.014032 
1 1 1   12    1  -54 o   10.540   2.6017   15.807   7.3208   18.195   9.5287   12.367   11.437   11.296   3.0633   9.9289   3.4757 1.367079 4.632995 
1 1 1   12    1  -53 o   11.665   2.5774   19.325   7.8598   17.470   11.299   21.064   10.940   11.189   3.4325   12.133   3.2791 -0.9444208 4.747082 
1 1 1   12    1  -52 o   4.8603   2.1907  -3.0372   6.0393   1.2283   8.6629  -7.0705   8.4238   6.7646   2.8346   5.3247   2.4691 1.439898 3.759151 
1 1 1   12    1  -51 o   35.206   0.9156  166.832   8.6575  165.052   12.247  168.611   12.240   34.977   1.3036   35.354   1.2890 -0.3768616 1.833319 
1 1 1   12    1  -50 o   48.429   0.8590  315.567   11.174  301.344   16.302  328.171   15.346   47.271   1.2840   49.349   1.1578 -2.078476 1.728914 
1 1 1   12    1  -49 o   32.779   0.9672  144.609   8.5159  133.393   11.907  156.354   12.184   31.444   1.4098   34.052   1.3322 -2.607265 1.939693 
1 1 1   12    1  -48 o   47.439   0.8655  302.701   11.028  304.640   15.564  300.746   15.628   47.555   1.2185   47.248   1.2315 0.3064613 1.732439 
1 1 1   12    1  -47 o   64.142   0.8706  553.322   14.999  559.514   21.432  547.378   20.998   64.453   1.2380   63.752   1.2263 0.7010994 1.742534 
1 1 1   12    1  -46 o   78.672   0.8589  832.278   18.149  832.154   25.687  832.401   25.645   78.615   1.2165   78.627   1.2143 -0.1207733E-01 1.718876 
1 1 1   12    1  -45 o   99.457   1.0582  1330.87   28.269  1301.05   39.401  1362.49   40.580   98.246   1.4931  100.537   1.5028 -2.290527 2.118459 
1 1 1   12    1  -44 o   25.585   1.1140   88.078   7.6552   93.140   11.084   83.462   10.585   26.237   1.5802   24.830   1.5957 1.407604 2.245710 
1 1 1   12    1  -43 o   46.176   0.7635  286.582   9.4691  299.179   13.788  275.337   13.027   47.160   1.0885   45.243   1.0721 1.917011 1.527792 
1 1 1   12    1  -42 o   72.547   1.0233  707.749   19.940  699.400   24.730  723.267   33.714   72.091   1.2771   73.250   1.7136 -1.159164 2.137179 
1 1 1   12    1  -41 o   96.450   0.9321  1250.50   24.148  1243.43   34.079  1257.64   34.222   96.130   1.3199   96.678   1.3179 -0.5480423 1.865185 
1 1 1   12    1  -40 o   90.416   0.9360  1098.80   22.730  1093.44   30.677  1105.33   33.847   90.164   1.2667   90.638   1.3903 -0.4747009 1.880841 
1 1 1   12    1  -39 f   31.439   0.8323  132.813   7.0279  139.803   9.8322  125.511   10.049   32.247   1.1352   30.552   1.2247 1.695477 1.669852 
1 1 1   12    1  -38 o   41.771   0.7917  234.426   8.8820  226.171   11.907  244.782   13.336   41.020   1.0807   42.672   1.1636 -1.651451 1.588044 
1 1 1   12    1  -37 o   85.690   0.9896  986.760   22.777  994.381   30.707  977.437   33.963   85.998   1.3294   85.249   1.4833 0.7483139 1.991826 
1 1 1   12    1  -36 f   76.716   0.9002  790.763   18.550  780.718   26.048  801.099   26.422   76.208   1.2726   77.196   1.2743 -0.9882202 1.800929 
1 1 1   12    1  -35 o   27.724   0.9296  103.272   6.9221  114.057   9.9518   93.163   9.6346   29.129   1.2720   26.289   1.3692 2.840492 1.868867 
1 1 1   12    1  -34 o  180.117   1.4670  4361.62   70.971  4435.57  101.430  4290.69   99.337  181.537   2.0802  178.549   2.0714 2.987686 2.935648 
1 1 1   12    1  -33 o   89.796   0.9497  1083.30   22.904  1046.22   35.255  1110.39   30.128   88.219   1.4879   90.899   1.2340 -2.679359 1.933031 
1 1 1   12    1  -32 o  198.011   1.8380  5272.48   97.752  5335.26  132.292  5196.99  145.076  199.080   2.4741  196.428   2.7498 2.651978 3.698983 
1 1 1   12    1  -31 o   54.683   0.7482  401.657   10.990  399.102   15.062  404.565   16.070   54.505   1.0289   54.875   1.0903 -0.3705635 1.499134 
1 1 1   12    1  -30 f  137.717   1.3524  2548.39   50.025  2585.90   75.657  2519.25   66.683  138.681   2.0311  136.898   1.8135 1.782394 2.722941 
1 1 1   12    1  -29 f   87.572   0.8533  1030.07   20.071  1030.52   28.376  1029.63   28.394   87.583   1.2062   87.545   1.2075 0.3784943E-01 1.706809 
1 1 1   12    1  -28 o   36.489   0.7093  178.824   6.9517  173.753   9.7843  183.993   9.8788   35.966   1.0129   37.010   0.9938 -1.044788 1.418975 
1 1 1   12    1  -27 o  167.523   1.3698  3770.24   61.636  3759.59   86.998  3780.97   87.337  167.256   1.9366  167.731   1.9386 -0.4747467 2.740177 
1 1 1   12    1  -26 o   51.610   0.8559  357.760   11.864  355.624   17.784  359.473   15.927   51.452   1.2869   51.731   1.1462 -0.2791748 1.723348 
1 1 1   12    1  -25 o  299.776   2.3390 12078.69  188.326 11856.99  263.155 12311.43  269.631  296.888   3.3001  302.521   3.3183 -5.633026 4.679960 
1 1 1   12    1  -24 f  122.297   1.1024  2008.94   36.211  2060.91   54.333  1967.42   48.570  123.856   1.6333  121.018   1.4943 2.838196 2.213664 
1 1 1   12    1  -23 o  109.549   1.1175  1611.95   32.881  1597.89   43.988  1629.77   49.500  109.063   1.5016  110.142   1.6732 -1.078796 2.248264 
1 1 1   12    1  -22 o  306.486   2.7579 12626.37  227.030 12563.16  339.415 12677.54  305.409  305.545   4.1358  306.994   3.7039 -1.449768 5.551949 
1 1 1   12    1  -21 o  259.521   2.1299  9049.61  148.465  9213.09  222.903  8919.27  199.039  261.773   3.1703  257.591   2.8768 4.182190 4.281003 
1 1 1   12    1  -20 o  135.592   1.4996  2469.66   54.615  2491.20   84.015  2453.90   71.873  136.160   2.2973  135.147   1.9800 1.013336 3.032818 
1 1 1   12    1  -19 o  180.575   1.7918  4380.51   86.903  4419.86  123.570  4342.00  122.239  181.354   2.5368  179.750   2.5319 1.604202 3.584156 
1 1 1   12    1  -18 o  368.509   3.4980 18259.93  346.223 18374.94  491.727 18146.87  487.564  369.436   4.9556  367.138   4.9444 2.297821 7.000309 
1 1 1   12    1  -17 o  103.833   1.1529  1448.06   32.153  1484.19   46.081  1413.78   44.887  105.113   1.6322  102.590   1.6290 2.523468 2.306010 
1 1 1   12    1  -16 o  149.063   2.1460  2985.31   85.920  2974.57  121.338  2996.12  121.680  148.762   3.0368  149.300   3.0344 -0.5381470 4.292956 
1 1 1   12    1  -15 o  255.490   2.8433  8772.42  195.112  9005.72  242.939  8348.49  327.478  258.818   3.4947  249.066   4.8953 9.752060 6.014698 
1 1 1   12    1  -14 o  255.093   2.4552  8743.16  168.223  8808.33  239.019  8679.19  236.802  255.979   3.4764  254.096   3.4697 1.882950 4.911690 
1 1 1   12    1  -13 o  367.800   3.4883 18183.13  344.603 18251.61  488.521 18115.30  486.174  368.328   4.9381  366.951   4.9328 1.377258 6.979731 
1 1 1   12    1  -12 o  208.857   2.0379  5859.70  114.321  5878.85  162.037  5840.72  161.313  209.169   2.8842  208.490   2.8807 0.6792603 4.076373 
1 1 1   12    1  -11 o  214.601   2.0886  6186.35  120.386  6232.21  170.964  6141.25  169.546  215.367   2.9555  213.790   2.9526 1.577225 4.177700 
1 1 1   12    1  -10 o  200.557   1.9626  5402.88  105.722  5330.81  148.285  5477.39  150.774  199.195   2.7716  201.914   2.7801 -2.719711 3.925658 
1 1 1   12    1   -9 o  331.735   2.6921 14784.06  239.870 14545.87  351.736 14991.15  327.965  328.984   3.9806  334.001   3.6558 -5.017242 5.404662 
1 1 1   12    1   -8 o  499.648   4.0151 33550.13  538.833 33255.70  725.195 33913.03  805.104  497.307   5.4292  502.130   5.9696 -4.823730 8.069223 
1 1 1   12    1   -7 o  258.649   2.0261  8985.74  140.757  8928.00  198.256  9044.43  199.876  257.795   2.8633  259.470   2.8680 -1.675293 4.052611 
1 1 1   12    1   -6 f  289.671   2.2572 11270.76  175.615 11327.59  249.106 11214.61  247.616  290.373   3.1940  288.921   3.1909 1.451599 4.514781 
1 1 1   12    1   -5 o  262.294   2.0537  9240.63  144.686  9310.14  205.605  9172.44  203.643  263.259   2.9078  261.305   2.9015 1.954010 4.107795 
1 1 1   12    1   -4 o  131.237   1.4447  2313.17   50.926  2271.75   66.673  2371.18   78.902  130.054   1.9087  132.867   2.2110 -2.813065 2.920865 
1 1 1   12    1   -3 o  449.864   3.4641 27188.94  418.563 27164.77  591.557 27213.18  592.318  449.577   4.8989  449.977   4.9009 -0.4002380 6.929491 
1 1 1   12    1   -2 o  291.695   2.3741 11428.73  186.004 11216.04  248.878 11697.85  279.955  288.947   3.2068  295.078   3.5323 -6.130737 4.770854 
1 1 1   12    1   -1 f  352.903   2.7317 16729.12  258.927 16607.79  364.553 16852.65  367.825  351.581   3.8605  354.163   3.8668 -2.582062 5.463995 
1 1 1   12    1    0 o  169.763   1.8012  3870.70   82.131  3898.06  126.014  3850.50  108.291  170.350   2.7541  169.313   2.3813 1.037552 3.640837 
1 1 1   12    1    1 f  162.072   1.8673  3527.99   81.284  3517.59  140.497  3533.22   99.656  161.816   3.2326  162.188   2.2877 -0.3720856 3.960195 
1 1 1   12    1    2 o  143.488   1.5574  2765.21   60.023  2815.85  113.357  2745.48   70.757  144.783   2.9150  142.973   1.8426 1.809174 3.448517 
1 1 1   12    1    3 o  227.923   1.9712  6977.36  120.674  7057.94  192.259  6924.98  155.010  229.213   3.1229  227.056   2.5418 2.157318 4.026533 
1 1 1   12    1    4 o  454.094   3.8304 27705.51  467.176 27620.63  737.321 27762.45  603.860  453.231   6.0568  454.486   4.9468 -1.254639 7.820214 
1 1 1   12    1    5 o  264.997   2.5393  9432.81  180.737  9409.89  255.120  9455.91  256.085  264.645   3.5891  265.291   3.5939 -0.6460571 5.079186 
1 1 1   12    1    6 f  282.575   2.4159 10725.66  183.361 10821.05  260.783 10632.40  257.865  283.798   3.4212  281.314   3.4128 2.484283 4.832353 
1 1 1   12    1    7 o  431.457   4.0735 25016.42  472.061 24888.19  665.128 25146.57  670.090  430.207   5.7562  432.433   5.7693 -2.226044 8.149756 
1 1 1   12    1    8 o  328.163   2.6606 14466.86  234.512 14365.28  346.313 14552.90  318.706  326.948   3.9436  329.095   3.6056 -2.146393 5.343466 
1 1 1   12    1    9 o  135.281   1.2436  2457.91   45.186  2409.93   63.206  2508.07   64.622  133.949   1.7568  136.649   1.7607 -2.700180 2.487264 
1 1 1   12    1   10 o  233.559   1.9237  7327.20  120.678  7460.31  181.022  7220.73  161.903  235.643   2.8601  231.837   2.6000 3.805908 3.865301 
1 1 1   12    1   11 o  291.870   2.4938 11444.58  195.500 11221.99  305.227 11599.41  254.573  288.940   3.9330  293.802   3.2260 -4.862122 5.086807 
1 1 1   12    1   12 o  168.224   1.4988  3801.04   67.721  3847.71  107.884  3770.70   86.996  169.235   2.3734  167.543   1.9332 1.691879 3.061126 
1 1 1   12    1   13 o  172.022   1.9726  3975.14   91.141  4047.28  130.500  3906.45  127.344  173.551   2.7996  170.505   2.7807 3.045639 3.945857 
1 1 1   12    1   14 o   59.189   0.9754  470.517   15.507  460.903   21.897  480.188   21.963   58.579   1.3917   59.792   1.3676 -1.213120 1.951223 
1 1 1   12    1   15 o  238.969   2.0636  7672.00  132.451  7632.95  208.792  7698.30  171.340  238.293   3.2622  239.348   2.6652 -1.055374 4.212532 
1 1 1   12    1   16 o  313.077   2.4358 13170.65  204.829 13127.14  289.031 13214.54  290.319  312.472   3.4438  313.510   3.4477 -1.038116 4.873062 
1 1 1   12    1   17 o  242.316   2.0909  7888.82  136.082  7915.96  192.896  7861.94  192.004  242.679   2.9594  241.850   2.9558 0.8292389 4.182647 
1 1 1   12    1   18 o  297.679   2.3213 11906.82  185.600 11977.79  263.472 11836.91  261.496  298.482   3.2864  296.722   3.2811 1.760071 4.643957 
1 1 1   12    1   19 o  283.574   2.2175 10804.82  168.896 10682.30  237.154 10930.92  240.593  281.890   3.1323  285.150   3.1414 -3.260681 4.436126 
1 1 1   12    1   20 o   97.605   0.8978  1279.52   23.537  1294.78   33.468  1264.59   33.107   98.181   1.2692   97.030   1.2703 1.151176 1.795694 
1 1 1   12    1   21 o   57.507   0.8258  444.153   12.755  463.272   17.239  421.026   18.960   58.730   1.0928   55.987   1.2609 2.743011 1.668550 
1 1 1   12    1   22 o   78.022   0.9107  817.598   19.085  793.443   25.282  849.597   29.099   76.858   1.2247   79.529   1.3623 -2.671516 1.831855 
1 1 1   12    1   23 o  114.656   1.0532  1765.69   32.435  1771.94   48.013  1760.44   43.991  114.849   1.5565  114.478   1.4307 0.3706131 2.114122 
1 1 1   12    1   24 f  150.580   1.2515  3045.71   50.618  3035.17   71.499  3056.31   71.670  150.302   1.7711  150.825   1.7692 -0.5225677 2.503357 
1 1 1   12    1   25 o  134.344   1.1415  2424.29   41.191  2382.64   57.627  2467.80   58.899  133.172   1.6111  135.531   1.6180 -2.358871 2.283324 
1 1 1   12    1   26 o  263.205   2.1609  9311.02  152.761  9316.18  226.695  9306.72  206.754  263.151   3.2073  263.056   2.9263 0.9469604E-01 4.341663 
1 1 1   12    1   27 o   90.638   1.0032  1103.49   24.422  1098.10   36.760  1107.74   32.675   90.405   1.5139   90.806   1.3397 -0.4000397 2.021537 
1 1 1   12    1   28 o   92.828   0.9240  1157.45   23.039  1178.96   34.324  1139.81   31.080   93.677   1.3642   92.111   1.2562 1.565613 1.854505 
1 1 1   12    1   29 f   82.642   0.8763  917.374   19.451  920.675   26.248  913.354   28.967   82.784   1.1805   82.451   1.3080 0.3330612 1.761962 
1 1 1   12    1   30 f   41.438   0.8179  230.641   9.1026  219.685   11.555  248.558   14.777   40.439   1.0639   43.011   1.2792 -2.572262 1.663741 
1 1 1   12    1   31 o  140.392   1.3713  2648.65   51.709  2629.12   69.130  2673.46   77.911  139.838   1.8406  140.992   2.0574 -1.154236 2.760512 
1 1 1   12    1   32 o   40.541   0.7583  220.772   8.2570  223.867   11.624  217.619   11.731   40.820   1.0602   40.246   1.0853 0.5740929 1.517166 
1 1 1   12    1   33 o   88.013   0.9092  1040.69   21.493  1053.47   29.132  1025.43   31.839   88.539   1.2250   87.346   1.3571 1.192970 1.828271 
1 1 1   12    1   34 o   30.413   0.8549  124.267   6.9838  120.738   9.4734  128.468   10.336   29.973   1.1767   30.917   1.2447 -0.9433994 1.712879 
1 1 1   12    1   35 o   61.096   0.8660  501.509   14.211  500.208   21.508  502.516   18.933   61.000   1.3127   61.148   1.1528 -0.1473885 1.747061 
1 1 1   12    1   36 f   45.869   0.8308  282.677   10.236  281.323   16.365  283.547   13.118   45.744   1.3320   45.933   1.0633 -0.1895142 1.704344 
1 1 1   12    1   37 o  190.413   1.6139  4877.73   82.538  4961.10  123.714  4810.86  110.804  191.829   2.4011  188.966   2.1831 2.863403 3.245214 
1 1 1   12    1   38 o   72.286   0.8108  702.078   15.742  716.081   22.412  688.442   22.117   72.986   1.1433   71.563   1.1506 1.422821 1.622044 
1 1 1   12    1   39 f   70.170   0.8072  661.606   15.213  634.792   21.209  690.025   21.835   68.714   1.1492   71.642   1.1347 -2.928032 1.614988 
1 1 1   12    1   40 o   33.857   0.8297  154.045   7.5449  152.355   10.657  155.744   10.683   33.659   1.1788   34.032   1.1688 -0.3727875 1.659968 
1 1 1   12    1   41 o   74.437   0.8244  744.674   16.482  728.829   23.218  760.772   23.402   73.612   1.1743   75.210   1.1585 -1.597397 1.649570 
1 1 1   12    1   42 o   39.134   0.8391  205.849   8.8199  206.646   11.803  204.840   13.272   39.196   1.1212   39.015   1.2665 0.1802940 1.691491 
1 1 1   12    1   43 o   49.557   0.8434  330.143   11.226  333.065   15.863  327.211   15.888   49.751   1.1871   49.311   1.1996 0.4402199 1.687690 
1 1 1   12    1   44 o   32.618   0.8861  143.053   7.7631  152.276   11.094  134.202   10.867   33.634   1.2280   31.572   1.2815 2.062370 1.774913 
1 1 1   12    1   45 o   16.026   1.4822   34.909   6.3078   33.545   9.0788   36.183   8.7704   15.586   2.2324   16.231   2.0581 -0.6443481 3.036364 
1 1 1   12    1   46 o   62.812   0.8579  530.525   14.473  509.486   21.587  547.705   19.507   61.501   1.3068   63.789   1.1385 -2.288090 1.733239 
1 1 1   12    1   47 o   28.759   1.0074  111.290   7.7816  105.027   10.919  117.753   11.092   27.870   1.4638   29.556   1.3973 -1.685789 2.023646 
1 1 1   12    1   48 o   9.6000   2.5379   12.990   6.6434   15.473   9.9456   10.989   8.9272   10.584   3.2151   9.2051   3.0750 1.378650 4.448905 
1 1 1   12    1   49 o   21.666   1.4115   63.593   8.1688   56.478   11.407   71.082   11.703   20.295   2.1241   22.830   1.9266 -2.534941 2.867714 
1 1 1   12    1   50 o   6.9048   2.6160   4.7062   6.6665  -0.1001   9.6963   9.0148   9.1805   6.8908   2.9474   8.7044   3.1076 -1.813599 4.283074 
1 1 1   12    1   51 o   48.097   0.9935  311.495   12.834  314.558   18.858  308.851   17.518   48.259   1.4549   47.836   1.3634 0.4231300 1.993876 
1 1 1   12    1   52 o   42.889   0.8919  247.590   10.275  253.247   14.665  242.136   14.400   43.328   1.2601   42.366   1.2654 0.9619217 1.785858 
1 1 1   12    1   53 o   44.593   0.9336  267.718   11.182  277.272   15.860  258.272   15.769   45.328   1.3027   43.741   1.3422 1.587109 1.870425 
1 1 1   12    1   54 o   60.440   0.9223  491.811   14.972  473.915   22.204  506.733   20.275   59.235   1.3956   61.290   1.2316 -2.055347 1.861327 
1 1 1   12    1   55 o   36.704   1.0421  181.546   10.274  178.943   13.686  184.907   15.550   36.390   1.4003   36.962   1.5663 -0.5727806 2.100976 
1 1 1   12    1   56 o   22.468   1.4473   68.577   8.6874   59.358   11.332   81.718   13.529   20.770   2.0585   24.394   2.0849 -3.624100 2.929888 
1 1 1   12    1   57 o   45.075   1.1734  274.427   14.206  268.397   20.626  279.870   19.595   44.428   1.7285   45.406   1.6067 -0.9777565 2.359951 
1 1 1   12    1   58 o   8.5163   2.9426   9.3747   8.1848   0.8418   11.438   18.330   11.717   7.5275   3.2100   11.303   3.5001 -3.775792 4.749161 
1 1 1   12    1   59 o   7.9584   3.0270   6.7415   8.9479  -7.0546   13.391   17.870   12.027   7.0187   3.2023   11.147   3.5592 -4.128194 4.787724 
1 1 1   12    1   60 o   16.227   2.1396   37.042   9.0977   48.369   13.084   26.440   12.659   18.339   2.7404   13.240   3.5048 5.099244 4.448956 
1 1 1   12    1   61 o   21.617   1.6545   64.490   9.5337   63.210   13.330   65.831   13.641   21.097   2.3949   21.532   2.3995 -0.4353333 3.390132 
1 1 1   12    2  -61 o   10.650   4.6126   5.5960   24.320   0.0000   0.0000   5.5960   24.320  ?   ?    10.650   4.6126 0.000000 4.612623 
1 1 1   12    2  -60 o   12.340   4.4247   21.896   18.630   28.310   25.116   14.050   27.779   13.806   5.1089   12.207   5.0923 1.598721 7.213306 
1 1 1   12    2  -59 o   19.103   1.9353   50.633   9.7930   55.361   13.758   45.779   13.942   19.715   2.6667   17.751   3.0333 1.964003 4.038824 
1 1 1   12    2  -58 o   39.396   0.9379  209.413   9.9249  210.361   14.098  208.482   13.975   39.392   1.3324   39.217   1.3267 0.1747932 1.880315 
1 1 1   12    2  -57 o   19.441   1.4599   51.522   7.5675   53.300   10.797   49.806   10.610   19.629   2.0796   18.957   2.1200 0.6721115 2.969669 
1 1 1   12    2  -56 o   25.044   1.1991   84.688   8.0658   91.079   11.350   78.169   11.464   25.860   1.6427   23.915   1.7979 1.944742 2.435305 
1 1 1   12    2  -55 o   19.651   1.4349   52.489   7.5213   45.743   10.623   59.271   10.651   18.179   2.2219   20.794   1.9289 -2.615330 2.942367 
1 1 1   12    2  -54 o   13.639   2.0065   25.806   7.1307   29.304   9.7697   21.819   10.432   14.411   2.6206   12.330   3.1411 2.081433 4.090742 
1 1 1   12    2  -53 o   50.506   0.9112  343.394   12.361  334.304   18.419  350.842   16.673   49.755   1.3782   51.002   1.2171 -1.246796 1.838709 
1 1 1   12    2  -52 f   31.868   1.1065  136.870   9.4713  132.884   13.355  140.904   13.434   31.302   1.5938   32.280   1.5495 -0.9779606 2.222829 
1 1 1   12    2  -51 o   13.003   1.9784   23.459   6.6917   20.991   9.7001   25.701   9.2434   12.117   2.9971   13.480   2.6475 -1.363006 3.999010 
1 1 1   12    2  -50 o   23.963   1.1964   77.405   7.7001   76.706   10.924   78.096   10.855   23.745   1.7246   23.965   1.6974 -0.2199497 2.419845 
1 1 1   12    2  -49 o   58.291   0.8229  457.059   12.884  447.247   18.083  467.176   18.361   57.613   1.1686   58.884   1.1609 -1.270847 1.647235 
1 1 1   12    2  -48 o   27.660   1.0140  102.976   7.5332  103.654   10.472  102.250   10.845   27.686   1.4130   27.489   1.4742 0.1969490 2.042017 
1 1 1   12    2  -47 o   9.5439   2.3350   12.854   5.9364   8.4919   8.4790   17.048   8.3142   8.4372   2.9893   10.974   2.8089 -2.536587 4.101931 
1 1 1   12    2  -46 o   42.231   0.9853  239.942   11.176  238.900   15.785  240.990   15.825   42.102   1.3959   42.286   1.3933 -0.1840744 1.972288 
1 1 1   12    2  -45 o   34.366   0.8629  158.810   7.9646  158.019   11.233  159.610   11.295   34.259   1.2208   34.430   1.2213 -0.1719437 1.726831 
1 1 1   12    2  -44 o   37.234   0.8917  186.428   8.9181  195.147   13.694  180.006   11.752   38.065   1.3394   36.569   1.1965 1.495842 1.795972 
1 1 1   12    2  -43 o   74.538   0.9114  747.057   18.246  746.589   25.839  747.523   25.770   74.468   1.2918   74.515   1.2876 -0.4719543E-01 1.823940 
1 1 1   12    2  -42 o   48.344   0.8078  314.146   10.489  305.021   14.093  325.476   15.705   47.619   1.1019   49.183   1.1888 -1.564228 1.620969 
1 1 1   12    2  -41 o   55.223   1.1398  410.181   16.906  400.596   25.168  418.062   22.821   54.520   1.7187   55.717   1.5250 -1.196720 2.297715 
1 1 1   12    2  -40 o   83.745   0.8583  942.566   19.305  951.008   27.355  934.189   27.249   84.087   1.2112   83.340   1.2173 0.7474976 1.717214 
1 1 1   12    2  -39 o   40.611   0.7688  221.603   8.3860  210.685   11.773  232.850   11.948   39.586   1.1072   41.618   1.0689 -2.031860 1.538995 
1 1 1   12    2  -38 o   62.028   0.7628  516.941   12.709  526.086   18.060  507.970   17.888   62.560   1.0748   61.473   1.0834 1.087040 1.526084 
1 1 1   12    2  -37 o   66.110   0.8440  587.243   14.987  590.028   19.447  583.170   23.519   66.255   1.0928   65.855   1.3296 0.3997269 1.721100 
1 1 1   12    2  -36 o  157.742   1.8602  3349.19   78.814  3331.78  111.170  3366.77  111.753  157.154   2.6337  157.977   2.6337 -0.8230438 3.724645 
1 1 1   12    2  -35 o  102.970   1.0981  1424.93   30.369  1498.51   46.274  1369.27   40.250  105.548   1.6323  100.908   1.4851 4.640030 2.206751 
1 1 1   12    2  -34 o   32.258   0.7607  139.793   6.5909  137.666   9.3363  141.906   9.3057   32.007   1.0860   32.496   1.0662 -0.4895401 1.521888 
1 1 1   12    2  -33 o   39.207   0.7357  206.488   7.7475  197.960   10.884  215.247   11.031   38.383   1.0557   40.025   1.0261 -1.641479 1.472223 
1 1 1   12    2  -32 o   83.955   0.9118  946.916   20.561  984.080   32.728  922.684   26.427   85.565   1.4241   82.864   1.1874 2.701164 1.854173 
1 1 1   12    2  -31 f  180.772   1.7999  4393.86   87.390  4311.84  109.456  4538.06  145.135  179.012   2.2765  183.529   2.9443 -4.517166 3.721711 
1 1 1   12    2  -30 o  155.616   1.3492  3254.06   56.393  3247.35   76.143  3262.21   83.928  155.419   1.8240  155.756   2.0062 -0.3379364 2.711443 
1 1 1   12    2  -29 o  107.219   1.0576  1544.32   30.456  1525.88   42.776  1563.29   43.374  106.560   1.4946  107.858   1.4972 -1.298241 2.115496 
1 1 1   12    2  -28 o  143.088   1.2013  2750.53   46.168  2709.20   64.721  2793.36   65.878  141.984   1.6971  144.172   1.7012 -2.188278 2.403009 
1 1 1   12    2  -27 o  110.240   0.9835  1632.40   29.122  1640.85   41.261  1624.00   41.110  110.513   1.3900  109.944   1.3921 0.5690918 1.967300 
1 1 1   12    2  -26 o  185.045   1.4949  4600.43   74.300  4611.98  105.229  4588.94  104.924  185.238   2.1150  184.775   2.1142 0.4631805 2.990481 
1 1 1   12    2  -25 o  156.445   1.2909  3287.82   54.243  3283.15   76.600  3292.51   76.822  156.312   1.8245  156.535   1.8272 -0.2227173 2.582127 
1 1 1   12    2  -24 o   95.122   0.8832  1215.28   22.566  1217.96   31.928  1212.60   31.898   95.221   1.2484   95.012   1.2500 0.2097473 1.766589 
1 1 1   12    2  -23 f  215.717   1.8795  6252.31  108.896  6193.23  139.817  6343.41  173.618  214.660   2.4250  217.203   2.9760 -2.542450 3.838954 
1 1 1   12    2  -22 o  135.835   1.3186  2478.47   48.108  2545.06   65.569  2400.83   70.801  137.635   1.7737  133.672   1.9720 3.963043 2.652308 
1 1 1   12    2  -21 o  184.876   1.8284  4591.98   90.794  4460.91  178.798  4637.52  105.393  182.110   3.6554  185.779   2.1122 -3.668900 4.221769 
1 1 1   12    2  -20 o  147.161   1.6091  2909.23   63.604  2942.38   98.137  2885.22   83.519  147.968   2.4693  146.537   2.1220 1.431107 3.255806 
1 1 1   12    2  -19 o  138.115   1.4287  2562.37   52.999  2545.04   74.642  2579.99   75.266  137.632   2.0192  138.574   2.0222 -0.9417572 2.857686 
1 1 1   12    2  -18 o  226.398   2.1989  6887.00  133.711  6932.25  189.856  6842.46  188.344  227.083   3.1128  225.608   3.1082 1.475098 4.398885 
1 1 1   12    2  -17 o  124.479   1.3149  2081.30   43.962  2075.51   62.064  2087.14   62.280  124.295   1.8591  124.643   1.8603 -0.3477325 2.630010 
1 1 1   12    2  -16 o  131.315   1.3705  2316.18   48.336  2318.17   68.404  2314.20   68.312  131.359   1.9388  131.246   1.9378 0.1125488 2.741182 
1 1 1   12    2  -15 o  103.441   2.2895  1437.71   63.611  1482.00   91.341  1396.00   88.639  104.996   3.2389  101.904   3.2385 3.091949 4.580222 
1 1 1   12    2  -14 o  344.108   4.6306 15933.04  427.981 16339.25  615.303 15552.31  595.685  348.121   6.5806  339.645   6.5298 8.476318 9.270542 
1 1 1   12    2  -13 o  129.797   1.3543  2262.87   47.213  2275.17   66.976  2250.72   66.566  130.139   1.9161  129.438   1.9147 0.7010193 2.708768 
1 1 1   12    2  -12 o  187.696   1.8498  4732.45   93.256  4673.25  130.885  4793.49  132.904  186.494   2.6130  188.877   2.6198 -2.383728 3.700128 
1 1 1   12    2  -11 o   98.950   1.4001  1315.09   37.209  1305.18   47.659  1330.56   59.549   98.572   1.8001   99.520   2.2278 -0.9478912 2.864157 
1 1 1   12    2  -10 o   95.928   1.0862  1235.90   27.987  1206.93   39.135  1266.23   40.041   94.793   1.5371   97.094   1.5354 -2.300827 2.172558 
1 1 1   12    2   -9 o  394.398   3.1825 20901.99  337.126 20661.14  453.016 21200.92  504.697  392.024   4.3024  397.068   4.7323 -5.043121 6.395727 
1 1 1   12    2   -8 o  376.614   2.9121 19056.81  294.571 18981.29  415.431 19133.18  417.752  375.782   4.1160  377.282   4.1225 -1.499969 5.825465 
1 1 1   12    2   -7 o  284.957   2.3221 10907.79  177.724 11130.38  266.977 10730.65  238.163  287.804   3.4537  282.603   3.1377 5.200775 4.666149 
1 1 1   12    2   -6 o  390.718   3.1519 20510.93  330.776 20730.37  493.936 20332.51  445.396  392.695   4.6830  388.941   4.2635 3.753296 6.333105 
1 1 1   12    2   -5 o  134.806   1.2380  2440.68   44.824  2390.74   62.774  2492.63   64.025  133.416   1.7518  136.229   1.7498 -2.813217 2.475988 
1 1 1   12    2   -4 o  266.153   2.1756  9514.99  155.523  9669.62  232.894  9390.54  208.937  268.275   3.2321  264.385   2.9423 3.890167 4.370764 
1 1 1   12    2   -3 o  109.710   1.1135  1616.51   32.813  1603.39   49.074  1627.12   44.127  109.261   1.6722  110.068   1.4926 -0.8070602 2.241502 
1 1 1   12    2   -2 o  483.671   3.7206 31433.48  483.342 31717.49  753.131 31234.58  630.261  485.670   5.7735  482.047   4.8679 3.622498 7.551762 
1 1 1   12    2   -1 o  326.664   2.7769 14334.79  243.647 14230.84  343.134 14440.51  346.022  325.431   3.9257  327.819   3.9299 -2.388367 5.554693 
1 1 1   12    2    0 o  247.401   2.1287  8221.29  141.451  8262.67  200.707  8180.45  199.383  248.002   3.0131  246.765   3.0082 1.236862 4.257742 
1 1 1   12    2    1 o  250.975   2.2748  8460.70  153.340  8473.51  265.850  8454.31  187.712  251.116   3.9416  250.868   2.7858 0.2481232 4.826697 
1 1 1   12    2    2 o  286.578   2.7375 11032.44  210.708 10384.89  331.175 11472.86  273.120  277.975   4.4357  292.216   3.4798 -14.24069 5.637763 
1 1 1   12    2    3 o  529.385   4.4569 37665.83  633.717 37651.63  1156.08 37671.93  757.697  528.801   8.1396  529.339   5.3293 -0.5383301 9.729057 
1 1 1   12    2    4 o   35.145   1.0469  165.890   9.8828  144.522   15.883  179.390   12.625   32.752   1.8125   36.547   1.2861 -3.794804 2.222445 
1 1 1   12    2    5 o  220.182   2.0125  6511.80  119.018  6423.74  204.406  6556.97  146.393  218.650   3.4806  220.935   2.4670 -2.284515 4.266191 
1 1 1   12    2    6 o  355.859   3.3741 17015.43  322.502 17085.90  527.722 16973.42  407.437  356.440   5.5122  355.364   4.2687 1.076569 6.971828 
1 1 1   12    2    7 o  128.186   1.3320  2206.89   45.862  2066.45   88.592  2258.30   53.603  124.024   2.6595  129.669   1.5391 -5.644524 3.072725 
1 1 1   12    2    8 o  142.263   1.2359  2718.20   47.223  2668.61   69.261  2761.28   64.554  140.952   1.8295  143.381   1.6763 -2.428543 2.481288 
1 1 1   12    2    9 o  144.252   1.4658  2794.87   56.791  2691.30   78.686  2907.49   82.050  141.546   2.0697  147.121   2.0764 -5.575226 2.931747 
1 1 1   12    2   10 o  151.887   1.3713  3098.51   55.942  3091.19   88.382  3103.41   72.259  151.693   2.1692  152.001   1.7699 -0.3073578 2.799664 
1 1 1   12    2   11 o  190.444   1.6732  4871.72   85.588  4846.95  120.606  4896.84  121.477  189.941   2.3641  190.916   2.3690 -0.9749451 3.346775 
1 1 1   12    2   12 o  177.258   1.5683  4220.42   74.667  4294.25  106.822  4149.89  104.409  178.785   2.2245  175.754   2.2118 3.030487 3.136960 
1 1 1   12    2   13 o  275.106   2.3572 10168.71  174.180 10002.41  272.594 10283.45  226.435  272.753   3.7210  276.611   3.0478 -3.858002 4.809818 
1 1 1   12    2   14 o  215.953   1.8788  6265.00  108.974  6327.28  173.320  6224.29  140.140  216.971   2.9741  215.227   2.4242 1.744034 3.836930 
1 1 1   12    2   15 o  312.020   2.5364 13082.70  212.567 12978.67  313.620 13171.11  289.104  310.661   3.7586  312.991   3.4390 -2.329529 5.094479 
1 1 1   12    2   16 o  176.163   1.7482  4168.93   82.719  4265.61  118.670  4077.57  115.364  178.166   2.4798  174.195   2.4657 3.970703 3.497049 
1 1 1   12    2   17 o  174.437   1.4783  4087.32   69.260  4202.52  104.506  3997.09   92.489  176.854   2.2001  172.485   1.9964 4.369080 2.970826 
1 1 1   12    2   18 o   60.492   0.9304  491.463   15.117  504.335   23.120  481.852   19.979   61.275   1.4048   59.895   1.2419 1.380024 1.875030 
1 1 1   12    2   19 o  200.820   1.6058  5417.52   86.615  5419.97  122.456  5415.06  122.529  200.838   2.2701  200.747   2.2725 0.9112549E-01 3.212067 
1 1 1   12    2   20 o  232.148   1.8359  7240.30  114.470  7252.25  162.023  7228.39  161.749  232.294   2.5968  231.912   2.5967 0.3824310 3.672405 
1 1 1   12    2   21 o  196.514   1.5767  5187.72   83.220  5203.77  117.943  5171.81  117.439  196.788   2.2314  196.183   2.2287 0.6049347 3.153813 
1 1 1   12    2   22 o   62.171   0.8787  519.141   14.674  546.147   18.820  477.266   23.435   63.766   1.0988   59.606   1.4638 4.160206 1.830361 
1 1 1   12    2   23 f   36.105   0.8112  175.076   7.8662  175.383   11.150  174.771   11.099   36.135   1.1488   36.072   1.1456 0.6305313E-01 1.622417 
1 1 1   12    2   24 o  163.916   1.4067  3609.40   61.930  3635.99   92.287  3587.61   83.531  164.489   2.0889  163.400   1.9033 1.088730 2.825924 
1 1 1   12    2   25 o  293.851   2.5163 11608.58  198.598 11443.42  311.169 11722.10  257.971  291.522   3.9740  295.179   3.2538 -3.657043 5.136179 
1 1 1   12    2   26 o  155.712   1.3466  3257.26   56.317  3217.58   82.884  3291.29   76.758  154.729   1.9944  156.501   1.8261 -1.771667 2.704069 
1 1 1   12    2   27 o  190.518   1.5376  4876.99   78.682  4902.83  111.632  4851.48  110.917  190.974   2.1763  189.972   2.1738 1.002289 3.075985 
1 1 1   12    2   28 o   42.659   0.8764  244.436   10.042  240.107   12.335  252.943   17.292   42.278   1.0863   43.388   1.4839 -1.110008 1.839009 
1 1 1   12    2   29 o  197.993   1.5920  5268.25   84.663  5256.47  119.537  5280.12  119.926  197.703   2.2511  198.147   2.2534 -0.4439087 3.185170 
1 1 1   12    2   30 o  124.548   1.2533  2084.27   41.927  2133.15   56.802  2025.77   62.145  125.975   1.6788  122.749   1.8849 3.226021 2.524128 
1 1 1   12    2   31 f   65.840   0.8959  582.327   15.843  562.671   18.955  627.880   28.856   64.714   1.0905   68.345   1.5720 -3.630821 1.913206 
1 1 1   12    2   32 o   81.327   0.9103  888.555   19.884  899.578   25.866  872.629   31.091   81.820   1.1770   80.573   1.4366 1.246628 1.857219 
1 1 1   12    2   33 o   81.359   0.8733  889.279   19.083  894.223   28.402  885.211   25.764   81.567   1.2964   81.160   1.1819 0.4064331 1.754307 
1 1 1   12    2   34 o   46.484   0.7940  290.287   9.9128  291.681   13.964  288.871   14.074   46.588   1.1160   46.363   1.1302 0.2253532 1.588313 
1 1 1   12    2   35 o  153.223   1.3991  3156.59   57.581  3097.66   80.528  3218.24   82.367  151.697   1.9764  154.620   1.9833 -2.922974 2.799959 
1 1 1   12    2   36 o   28.991   0.8983  112.932   6.9945  103.206   10.662  120.281   9.2674   27.666   1.4398   29.914   1.1534 -2.248543 1.844828 
1 1 1   12    2   37 o  117.995   1.1529  1871.57   36.538  1894.89   58.320  1856.51   46.878  118.642   1.8301  117.483   1.4856 1.159470 2.357216 
1 1 1   12    2   38 o   90.108   0.9323  1091.16   22.563  1079.40   33.261  1101.19   30.710   89.584   1.3823   90.495   1.2635 -0.9109726 1.872749 
1 1 1   12    2   39 o   80.355   0.8484  867.703   18.311  889.070   26.069  846.894   25.726   81.313   1.1936   79.359   1.2069 1.953247 1.697480 
1 1 1   12    2   40 o   21.205   1.0676   60.610   6.0609   59.073   8.6083   62.121   8.5349   20.891   1.5451   21.431   1.4920 -0.5404778 2.147945 
1 1 1   12    2   41 o   51.278   0.8460  353.427   11.651  362.759   18.304  347.069   15.107   51.920   1.3126   50.799   1.1072 1.120117 1.717211 
1 1 1   12    2   42 o   66.864   0.8204  600.947   14.734  593.820   19.769  609.851   22.097   66.441   1.1078   67.320   1.2221 -0.8787384 1.649474 
1 1 1   12    2   43 o   86.661   0.8814  1009.76   20.517  1039.14   27.182  970.860   31.277   87.877   1.1516   84.906   1.3715 2.971130 1.790877 
1 1 1   12    2   44 o   37.237   0.8302  186.420   8.3031  176.887   11.569  196.545   11.923   36.251   1.1882   38.214   1.1617 -1.963203 1.661718 
1 1 1   12    2   45 o   35.668   0.9574  171.120   9.1724  171.648   12.144  170.417   13.996   35.702   1.2664   35.557   1.4655 0.1448250 1.936857 
1 1 1   12    2   46 o   54.130   0.8503  394.023   12.363  396.619   16.791  390.948   18.270   54.278   1.1517   53.876   1.2625 0.4026642 1.708936 
1 1 1   12    2   47 o   23.512   1.1505   74.437   7.2656   81.816   13.106   71.163   8.7298   24.504   2.0091   22.929   1.4245 1.574408 2.462849 
1 1 1   12    2   48 o   11.173   2.0775   17.455   6.0051   21.095   8.5667   13.937   8.4202   12.206   2.6860   10.004   2.9394 2.201262 3.981793 
1 1 1   12    2   49 o   23.119   1.1535   72.011   7.1625   64.738   10.076   79.440   10.183   21.809   1.7345   24.198   1.5754 -2.389507 2.343161 
1 1 1   12    2   50 o   25.210   1.4731   86.128   9.9313   90.098   12.393   79.000   16.603   25.730   1.8047   23.900   2.6299 1.829231 3.189559 
1 1 1   12    2   51 o   45.812   0.9771  282.606   12.023  281.471   19.341  283.320   15.349   45.623   1.5784   45.832   1.2468 -0.2091789 2.011446 
1 1 1   12    2   52 f   57.287   0.8583  441.667   13.207  424.135   18.476  459.983   18.885   56.077   1.2267   58.403   1.2039 -2.326393 1.718756 
1 1 1   12    2   53 o   9.1041   2.7790   11.441   7.4173   8.2427   11.450   13.753   9.7361   9.0087   3.4247   10.045   3.2018 -1.036212 4.688309 
1 1 1   12    2   54 o   56.302   0.8680  426.686   13.126  437.951   18.668  415.673   18.459   56.977   1.2198   55.505   1.2382 1.471882 1.738123 
1 1 1   12    2   55 o   47.355   0.9262  302.011   11.781  289.761   17.019  313.281   16.325   46.306   1.3683   48.171   1.2617 -1.865013 1.861256 
1 1 1   12    2   56 o   42.305   0.9704  241.210   11.027  243.643   15.084  238.417   16.160   42.453   1.3228   41.971   1.4335 0.4818344 1.950588 
1 1 1   12    2   57 o   41.950   1.1383  237.710   12.826  247.914   16.953  224.055   19.612   42.757   1.4762   40.552   1.8006 2.205112 2.328405 
1 1 1   12    2   58 o   12.981   2.8108   24.407   9.5158   44.846   15.584   12.257   12.016   17.472   3.4433   9.8563   3.5514 7.615942 4.946571 
1 1 1   12    2   59 o   27.317   1.4837  101.881   10.845  102.379   14.579  101.263   16.229   27.200   2.0098   26.944   2.2634 0.2551823 3.026938 
1 1 1   12    2   60 o   10.206   3.1070   15.193   9.2808   25.200   13.759   6.8397   12.571   12.864   3.7511   8.7497   3.5102 4.114197 5.137356 
1 1 1   12    2   61 o   8.7799   3.1258   10.187   9.2823   8.3715   13.805   11.685   12.540   9.2039   3.6834   9.6200   3.6000 -0.4160738 5.150441 
1 1 1   12    3  -60 o   7.5162   3.5524 -17.0598   18.887  -9.0570   25.737 -26.4000   27.804   9.6189   4.4077   8.8205   4.2090 0.7983894 6.094584 
1 1 1   12    3  -59 o   19.534   2.3172   53.744   11.921   44.549   15.632   66.523   18.428   17.267   3.4906   21.279   3.3338 -4.011858 4.826845 
1 1 1   12    3  -58 o   33.293   1.1492  149.981   10.276  141.679   14.384  158.633   14.685   32.183   1.6698   34.119   1.6025 -1.935707 2.314317 
1 1 1   12    3  -57 o   25.941   1.1803   90.982   8.2240   82.023   11.500  100.361   11.766   24.470   1.7614   27.118   1.6229 -2.647844 2.395064 
1 1 1   12    3  -56 o   41.060   0.9210  227.190   10.157  225.037   14.333  229.362   14.394   40.793   1.3081   41.185   1.3012 -0.3916245 1.845109 
1 1 1   12    3  -55 o   22.238   1.3118   67.042   7.8007   78.276   11.255   56.657   10.822   23.949   1.7620   20.300   2.0112 3.648790 2.673882 
1 1 1   12    3  -54 o   23.601   1.2312   75.366   7.7778   74.498   10.962   76.246   11.037   23.374   1.7591   23.650   1.7499 -0.2758980 2.481242 
1 1 1   12    3  -53 o   21.708   1.5225   64.027   8.8206   69.077   12.329   58.731   12.625   22.445   2.0684   20.624   2.3194 1.821461 3.107656 
1 1 1   12    3  -52 o   41.250   0.9026  229.059   10.000  222.927   14.214  235.070   14.072   40.641   1.3022   41.741   1.2552 -1.099548 1.808636 
1 1 1   12    3  -51 o   14.516   2.0867   29.215   7.9020   26.818   11.524   31.342   10.856   13.669   3.1961   14.876   2.8201 -1.207382 4.262404 
1 1 1   12    3  -50 o   37.649   0.8944  190.777   9.0448  182.173   12.680  199.688   12.905   36.747   1.2847   38.478   1.2487 -1.730759 1.791596 
1 1 1   12    3  -49 o   34.126   0.9088  156.725   8.3296  162.607   11.839  150.959   11.722   34.725   1.2694   33.454   1.3045 1.270702 1.820143 
1 1 1   12    3  -48 f   8.7959   2.4308   10.853   5.9338   9.5163   8.2883   12.258   8.4990   8.6705   2.9626   9.5000   2.9873 -0.8295641 4.207286 
1 1 1   12    3  -47 o   23.070   1.4064   72.038   8.6733   71.471   11.247   72.870   13.624   22.915   1.8429   23.070   2.2263 -0.1552505 2.890116 
1 1 1   12    3  -46 o   20.203   1.2799   55.204   6.9091   58.431   9.1204   50.859   10.584   20.740   1.6509   19.271   2.0776 1.468273 2.653690 
1 1 1   12    3  -45 o   70.247   0.8795  663.615   16.594  677.859   23.870  650.292   23.085   70.946   1.2526   69.491   1.2368 1.455139 1.760355 
1 1 1   12    3  -44 o   34.860   0.9085  163.430   8.5065  144.573   12.671  178.902   11.477   32.753   1.4403   36.456   1.1721 -3.703121 1.856997 
1 1 1   12    3  -43 o   34.252   0.8533  157.732   7.8505  162.953   11.549  153.248   10.703   34.792   1.2359   33.743   1.1810 1.048500 1.709430 
1 1 1   12    3  -42 o   36.699   0.8886  181.076   8.7590  182.499   12.482  179.695   12.295   36.821   1.2621   36.538   1.2528 0.2833176 1.778275 
1 1 1   12    3  -41 o   44.842   0.7702  270.254   9.2764  278.314   13.168  262.312   13.071   45.489   1.0777   44.161   1.1020 1.328590 1.541363 
1 1 1   12    3  -40 o   43.231   0.9430  251.242   10.950  243.515   16.422  257.426   14.692   42.533   1.4375   43.743   1.2505 -1.210400 1.905311 
1 1 1   12    3  -39 o   22.989   0.9649   71.039   5.9580   71.214   8.4025   70.862   8.4496   22.966   1.3684   22.908   1.3797 0.5802155E-01 1.943201 
1 1 1   12    3  -38 o   39.379   0.7546  208.351   7.9812  220.184   11.227  196.262   11.348   40.473   1.0328   38.208   1.1058 2.264301 1.513082 
1 1 1   12    3  -37 o   67.541   0.8558  612.975   15.525  600.643   22.089  625.013   21.824   66.838   1.2304   68.183   1.1917 -1.344894 1.712922 
1 1 1   12    3  -36 o  137.601   1.2896  2545.70   47.661  2607.53   62.231  2457.97   74.122  139.208   1.6644  135.091   2.0428 4.116943 2.634997 
1 1 1   12    3  -35 o  111.820   1.2272  1680.81   36.858  1654.80   51.662  1707.79   52.600  110.898   1.7344  112.659   1.7383 -1.761116 2.455593 
1 1 1   12    3  -34 o  101.478   1.0266  1383.79   27.981  1378.42   43.782  1387.50   36.381  101.235   1.6102  101.592   1.3333 -0.3572006 2.090533 
1 1 1   12    3  -33 o   65.868   0.7602  582.839   13.449  579.501   18.955  586.223   19.085   65.669   1.0746   66.049   1.0758 -0.3797379 1.520604 
1 1 1   12    3  -32 o  136.864   1.3432  2517.74   49.378  2498.45   84.992  2527.57   60.666  136.223   2.3229  137.102   1.6474 -0.8782806 2.847810 
1 1 1   12    3  -31 o   37.206   0.8927  185.960   8.9206  193.092   13.395  180.278   11.958   37.905   1.3157   36.627   1.2155 1.277382 1.791265 
1 1 1   12    3  -30 o  217.747   1.9000  6375.75  111.124  6314.69  142.646  6470.03  177.232  216.609   2.4518  219.137   3.0112 -2.528015 3.883126 
1 1 1   12    3  -29 o  119.192   1.0852  1908.59   34.740  1929.82   47.432  1884.03   51.024  119.834   1.4737  118.397   1.6045 1.437592 2.178557 
1 1 1   12    3  -28 o  128.643   1.1045  2223.18   38.164  2248.92   54.282  2198.01   53.669  129.364   1.5622  127.891   1.5624 1.472687 2.209442 
1 1 1   12    3  -27 o   70.274   0.7648  663.308   14.435  682.247   20.589  645.001   20.243   71.266   1.0757   69.293   1.0877 1.972816 1.529720 
1 1 1   12    3  -26 o   62.677   0.8501  527.644   14.311  524.375   19.142  531.787   21.549   62.479   1.1407   62.916   1.2752 -0.4378433 1.710941 
1 1 1   12    3  -25 o   46.745   0.7017  293.472   8.8098  299.724   12.130  286.492   12.817   47.238   0.9560   46.183   1.0332 1.055099 1.407670 
1 1 1   12    3  -24 o   67.044   0.8345  603.711   15.026  581.722   22.126  622.534   20.471   65.807   1.2518   68.078   1.1195 -2.271072 1.679421 
1 1 1   12    3  -23 o   86.756   0.8338  1010.90   19.430  1010.67   27.429  1011.14   27.528   86.742   1.1773   86.762   1.1813 -0.2007294E-01 1.667775 
1 1 1   12    3  -22 o   96.540   1.0301  1251.81   26.710  1288.63   41.001  1224.66   35.205   97.940   1.5586   95.482   1.3728 2.458344 2.076972 
1 1 1   12    3  -21 o  117.811   1.2609  1864.33   39.898  1835.39   56.537  1893.05   56.311  116.880   1.8010  118.703   1.7662 -1.822716 2.522472 
1 1 1   12    3  -20 o  270.224   2.7768  9815.63  201.542  9645.33  372.844  9885.93  239.557  267.558   5.1882  271.139   3.2895 -3.581085 6.143128 
1 1 1   12    3  -19 o   85.291   1.0972  977.080   25.135  988.466   33.591  962.594   37.887   85.782   1.4579   84.649   1.6664 1.133247 2.214157 
1 1 1   12    3  -18 o  329.384   3.1378 14586.18  277.599 14670.53  394.173 14503.18  391.013  330.154   4.4451  328.267   4.4348 1.886780 6.279017 
1 1 1   12    3  -17 o   78.850   1.2298  835.094   26.045  807.224   33.220  879.560   41.960   77.519   1.5955   80.912   1.9308 -3.393608 2.504702 
1 1 1   12    3  -16 o  107.394   1.1808  1549.12   34.059  1530.90   47.798  1567.90   48.544  106.753   1.6670  108.035   1.6729 -1.282173 2.361702 
1 1 1   12    3  -15 o  288.316   2.7602 11172.24  213.745 11120.54  301.473 11224.50  303.096  287.535   3.9036  288.876   3.9064 -1.340515 5.522513 
1 1 1   12    3  -14 o  231.160   3.1702  7183.19  196.831  6930.66  272.111  7460.33  285.062  226.950   4.4640  235.458   4.5075 -8.507965 6.343873 
1 1 1   12    3  -13 o   52.738   1.1969  373.564   16.954  338.637   23.244  413.266   24.782   50.208   1.7236   55.466   1.6635 -5.257786 2.395411 
1 1 1   12    3  -12 o   79.231   1.3833  843.182   29.438  842.174   41.776  844.177   41.489   79.176   1.9645   79.271   1.9486 -0.9433746E-01 2.766983 
1 1 1   12    3  -11 o  120.255   1.1293  1942.29   36.475  1948.06   51.909  1936.67   51.263  120.427   1.6048  120.075   1.5895 0.3521652 2.258763 
1 1 1   12    3  -10 f  620.760   4.9820 51848.74  830.644 51896.53  1232.78 51809.00  1124.14  620.333   7.3989  620.028   6.7502 0.3050537 10.01546 
1 1 1   12    3   -9 o  251.971   1.9777  8528.73  133.847  8504.11  207.083  8546.40  175.412  251.558   3.0649  252.207   2.5895 -0.6488953 4.012341 
1 1 1   12    3   -8 o  136.960   1.2566  2519.40   46.227  2499.07   65.017  2540.17   65.739  136.400   1.7747  137.517   1.7798 -1.117081 2.513421 
1 1 1   12    3   -7 o   77.068   0.8028  797.684   16.618  766.733   24.305  824.858   22.774   75.557   1.1976   78.369   1.0819 -2.812202 1.613978 
1 1 1   12    3   -6 o  269.500   2.2022  9756.61  159.404  9615.19  234.186  9878.69  217.590  267.495   3.2595  271.149   2.9877 -3.653717 4.421638 
1 1 1   12    3   -5 o  174.617   1.4742  4095.30   69.141  4109.50  102.803  4083.57   93.428  174.907   2.1883  174.358   1.9950 0.5487976 2.961195 
1 1 1   12    3   -4 o  324.029   2.6274 14105.37  228.669 14178.56  340.352 14045.14  308.729  324.799   3.9014  323.289   3.5554 1.510284 5.278471 
1 1 1   12    3   -3 o  141.223   1.6609  2678.75   63.002  2625.34   88.155  2734.49   90.071  139.798   2.3478  142.675   2.3504 -2.876343 3.322115 
1 1 1   12    3   -2 o  312.984   2.4326 13159.27  204.497 13442.85  293.101 12890.28  285.457  316.293   3.4501  309.725   3.4314 6.567841 4.866005 
1 1 1   12    3   -1 o  139.551   1.5235  2615.61   57.103  2673.93   68.427  2481.85  103.638  141.094   1.8056  135.917   2.8389 5.177612 3.364469 
1 1 1   12    3    0 o  671.075   5.1471 60554.63  927.745 60462.93  1310.71 60646.70  1313.36  670.147   7.2819  671.164   7.2855 -1.016724 10.30072 
1 1 1   12    3    1 o  315.200   2.5580 13346.57  216.560 13228.18  291.580 13492.21  323.410  313.758   3.4600  316.855   3.8001 -3.097137 5.139301 
1 1 1   12    3    2 o  238.680   2.0588  7652.15  131.987  7590.42  207.647  7694.01  170.969  237.679   3.2527  239.315   2.6598 -1.636765 4.201753 
1 1 1   12    3    3 o  154.566   1.6613  3208.87   68.968  3283.23  106.655  3155.44   90.415  156.333   2.5400  153.266   2.1964 3.066406 3.357931 
1 1 1   12    3    4 o  393.520   3.3298 20808.69  351.946 21516.10  568.957 20370.23  447.928  399.979   5.2960  389.279   4.2840 10.69916 6.811829 
1 1 1   12    3    5 o  154.036   1.6559  3186.91   68.509  2958.91  122.970  3289.52   82.497  148.396   3.0852  156.491   1.9627 -8.094955 3.656609 
1 1 1   12    3    6 o  141.613   1.2924  2693.45   49.159  2706.44   78.086  2684.92   63.271  141.944   2.0482  141.384   1.6661 0.5596771 2.640260 
1 1 1   12    3    7 o  232.232   2.1159  7244.78  131.983  7281.04  198.565  7216.09  176.654  232.773   3.1760  231.746   2.8380 1.026169 4.259272 
1 1 1   12    3    8 o  300.276   2.5623 12114.06  206.652 12033.58  375.875 12148.93  247.398  299.127   4.6784  300.680   3.0634 -1.553162 5.592097 
1 1 1   12    3    9 o  194.152   1.7952  5063.44   93.617  5013.54  139.480  5104.36  126.290  193.165   2.6884  194.917   2.4123 -1.751434 3.611985 
1 1 1   12    3   10 f  330.550   2.6802 14681.71  237.955 14810.20  396.722 14609.51  297.389  331.832   4.4512  329.684   3.3584 2.147797 5.576022 
1 1 1   12    3   11 o  129.488   1.2030  2252.04   41.838  2248.26   66.070  2254.57   54.058  129.368   1.9015  129.556   1.5535 -0.1878204 2.455374 
1 1 1   12    3   12 o  183.440   1.5436  4520.06   76.054  4468.84  125.100  4550.08   95.788  182.364   2.5540  184.037   1.9378 -1.672928 3.205971 
1 1 1   12    3   13 o  255.413   2.1976  8764.88  150.758  8678.47  236.677  8823.87  195.564  254.064   3.4683  256.231   2.8416 -2.167603 4.483769 
1 1 1   12    3   14 o  129.390   1.2049  2248.66   41.873  2297.68   67.087  2217.38   53.595  130.778   1.9099  128.480   1.5531 2.297638 2.461664 
1 1 1   12    3   15 o   79.550   1.2145  849.972   25.950  899.985   42.474  820.182   32.780   81.847   1.9321   78.139   1.5619 3.707787 2.484435 
1 1 1   12    3   16 o  227.059   2.0756  6926.89  126.583  7045.31  192.045  6835.92  168.322  228.926   3.1233  225.523   2.7788 3.403336 4.180535 
1 1 1   12    3   17 o  168.485   1.5049  3813.22   68.103  3792.82   95.933  3833.94   96.694  168.014   2.1258  168.922   2.1312 -0.9080811 3.010188 
1 1 1   12    3   18 o   99.077   0.9948  1318.42   26.472  1307.09   41.791  1326.01   34.210   98.642   1.5773   99.358   1.2819 -0.7161331 2.032574 
1 1 1   12    3   19 o  242.706   1.9133  7914.23  124.728  7881.69  175.896  7947.13  176.891  242.156   2.7044  243.159   2.7085 -1.002853 3.827471 
1 1 1   12    3   20 o  103.970   0.9815  1451.89   27.408  1422.33   40.234  1477.48   37.440  102.900   1.4557  104.878   1.3291 -1.978142 1.971208 
1 1 1   12    3   21 o   40.536   0.8971  220.693   9.7672  214.510   14.896  225.356   12.936   39.961   1.3878   40.960   1.1759 -0.9993210 1.818967 
1 1 1   12    3   22 o  214.926   1.9743  6206.90  113.969  6117.71  169.669  6280.24  153.845  213.304   2.9615  216.145   2.6500 -2.841064 3.974031 
1 1 1   12    3   23 o   96.495   1.0290  1250.66   26.669  1251.20   39.875  1250.23   35.873   96.506   1.5384   96.472   1.3844 0.3394318E-01 2.069597 
1 1 1   12    3   24 o   84.030   0.8348  948.376   18.842  944.599   26.581  952.191   26.713   83.858   1.1802   84.194   1.1813 -0.3362732 1.669793 
1 1 1   12    3   25 o   58.743   0.7981  463.475   12.592  450.274   19.431  473.033   16.534   57.895   1.2496   59.343   1.0373 -1.447811 1.624035 
1 1 1   12    3   26 o  134.430   1.2514  2427.70   45.183  2420.54   58.290  2438.48   71.517  134.217   1.6169  134.695   1.9768 -0.4781799 2.553887 
1 1 1   12    3   27 o   95.700   0.9026  1230.18   23.200  1197.13   32.336  1265.24   33.303   94.397   1.2754   97.045   1.2777 -2.647942 1.805304 
1 1 1   12    3   28 o  173.762   1.4184  4057.00   66.197  4049.44   93.475  4064.61   93.758  173.553   2.0053  173.878   2.0076 -0.3245392 2.837504 
1 1 1   12    3   29 o   95.755   1.0455  1231.77   26.890  1224.27   35.889  1241.35   40.602   95.450   1.3999   96.106   1.5729 -0.6559219 2.105629 
1 1 1   12    3   30 o   93.251   1.0324  1168.25   25.857  1138.08   34.155  1208.74   39.575   92.025   1.3818   94.830   1.5537 -2.805145 2.079330 
1 1 1   12    3   31 o  202.145   1.7795  5494.87   96.616  5453.92  124.151  5557.75  153.848  201.302   2.2962  203.097   2.8203 -1.794632 3.636838 
1 1 1   12    3   32 o   58.999   0.8543  467.631   13.538  464.706   17.816  471.627   20.826   58.807   1.1279   59.237   1.3090 -0.4300766 1.727891 
1 1 1   12    3   33 o   78.931   0.8612  836.999   18.257  812.318   24.426  868.242   27.482   77.745   1.1697   80.372   1.2731 -2.626259 1.728887 
1 1 1   12    3   34 o  120.193   1.1562  1941.61   37.325  1907.77   52.235  1976.92   53.355  119.094   1.6330  121.233   1.6386 -2.138443 2.313325 
1 1 1   12    3   35 o   38.196   0.7749  196.006   7.9501  193.683   11.182  198.380   11.306   37.962   1.0967   38.420   1.0956 -0.4575882 1.550157 
1 1 1   12    3   36 o   29.636   0.8536  118.010   6.7944  122.420   9.6468  113.669   9.5712   30.177   1.1902   29.078   1.2255 1.099455 1.708320 
1 1 1   12    3   37 o   81.081   0.8835  883.415   19.240  901.467   28.948  869.131   25.751   81.876   1.3164   80.403   1.1924 1.472252 1.776137 
1 1 1   12    3   38 o   37.441   0.8843  188.382   8.8932  174.894   12.923  200.517   12.257   36.060   1.3342   38.617   1.1817 -2.557587 1.782339 
1 1 1   12    3   39 o   26.092   0.9680   91.510   6.7835   82.821   9.9804   98.971   9.2480   24.760   1.5079   27.126   1.2693 -2.365356 1.971039 
1 1 1   12    3   40 o   79.163   0.9749  842.513   20.729  866.023   36.333  831.167   25.241   80.174   1.6872   78.607   1.1955 1.567085 2.067839 
1 1 1   12    3   41 o   39.683   0.8388  211.671   8.9400  219.423   11.906  201.652   13.536   40.390   1.0975   38.708   1.3020 1.682297 1.702842 
1 1 1   12    3   42 o   6.8627   2.3000   5.9809   4.9946   5.6616   6.4791   6.4486   7.8409   7.1511   2.6031   7.7493   2.8571 -0.5982351 3.865078 
1 1 1   12    3   43 o   29.214   0.8497  114.742   6.6675  115.300   8.9069  114.032   10.056   29.271   1.1329   29.101   1.2865 0.1699791 1.714206 
1 1 1   12    3   44 o   50.323   0.9018  340.553   12.189  338.522   16.242  343.170   18.443   50.145   1.2060   50.472   1.3605 -0.3262329 1.818030 
1 1 1   12    3   45 o   57.054   0.8371  437.698   12.828  419.618   17.166  460.567   19.305   55.832   1.1447   58.483   1.2290 -2.650387 1.679506 
1 1 1   12    3   46 o   33.690   0.9548  152.699   8.6395  158.125   11.330  145.161   13.354   34.264   1.2311   32.805   1.5156 1.459213 1.952628 
1 1 1   12    3   47 o   26.478   1.1010   94.391   7.8303   91.471   10.417   98.185   11.872   25.994   1.4984   26.912   1.6504 -0.9181309 2.229142 
1 1 1   12    3   48 f   38.509   0.8942  199.521   9.2484  207.795   15.426  194.878   11.556   39.238   1.4637   38.037   1.1311 1.201294 1.849779 
1 1 1   12    3   49 o   18.248   1.3771   45.189   6.6997   40.963   9.4670   49.429   9.4825   17.248   2.0860   19.008   1.8821 -1.760677 2.809507 
1 1 1   12    3   50 o   80.703   0.9976  877.066   21.625  894.092   30.878  860.678   30.294   81.371   1.4128   79.836   1.4128 1.534981 1.998011 
1 1 1   12    3   51 o   37.096   1.0919  185.445   10.880  196.669   14.117  169.028   17.073   38.164   1.3772   35.267   1.8085 2.897640 2.273209 
1 1 1   12    3   52 o   30.611   1.2298  126.399   10.111  129.112   13.929  123.378   14.701   30.832   1.6884   30.109   1.8264 0.7234879 2.487307 
1 1 1   12    3   53 o   19.382   1.4394   51.036   7.4399   42.575   10.478   59.640   10.565   17.529   2.2794   20.877   1.9052 -3.347166 2.970826 
1 1 1   12    3   54 o   35.612   0.9919  170.845   9.4874  170.152   13.700  171.484   13.151   35.479   1.4377   35.627   1.3743 -0.1485214 1.988899 
1 1 1   12    3   55 o   30.710   1.0938  127.190   9.0218  128.893   12.533  125.359   12.997   30.856   1.5122   30.375   1.5987 0.4810047 2.200632 
1 1 1   12    3   56 o   37.272   1.1069  187.495   11.082  179.938   15.723  194.954   15.620   36.413   1.6076   37.920   1.5337 -1.506683 2.221864 
1 1 1   12    3   57 o   38.487   1.1144  200.125   11.520  222.869   16.657  179.271   15.950   40.508   1.5309   36.302   1.6358 4.206413 2.240481 
1 1 1   12    3   58 o   19.124   2.1088   50.924   10.652   71.808   14.159   23.692   16.168   22.654   2.3617   12.715   4.1333 9.939018 4.760450 
1 1 1   12    3   59 o   30.172   1.4091  123.888   11.419  119.416   17.721  127.064   14.932   29.237   2.2746   30.365   1.8396 -1.127829 2.925384 
1 1 1   12    3   60 o   17.005   2.4522   41.361   10.876   25.363   15.209   58.103   15.559   12.845   3.9893   19.937   2.9984 -7.091495 4.990482 
1 1 1   12    4  -60 o   19.340   5.0904   63.310   26.803   63.310   26.803   0.0000   0.0000   19.340   5.0904  ?   ?  0.000000 5.090439 
1 1 1   12    4  -59 o   17.968   3.2767   47.850   15.231   31.910   25.391   56.811   19.037   14.380   5.1645   19.327   3.8027 -4.946653 6.413466 
1 1 1   12    4  -58 o   16.395   2.5857   38.381   11.009   34.708   15.807   41.841   15.342   15.109   3.8760   16.754   3.5211 -1.645029 5.236588 
1 1 1   12    4  -57 o   39.210   1.0643  207.704   11.208  214.338   15.982  201.284   15.723   39.716   1.4982   38.481   1.5213 1.235435 2.135165 
1 1 1   12    4  -56 o   9.1908   2.6548   11.969   6.9208   16.766   9.7852   7.1682   9.7898   10.818   3.1660   8.3162   3.1654 2.501768 4.476974 
1 1 1   12    4  -55 o   9.7857   2.5619   13.657   6.8126   14.157   9.8078   13.191   9.4700   10.121   3.2122   9.8187   3.1607 0.3027239 4.506476 
1 1 1   12    4  -54 o   28.524   1.0775  109.689   8.2549  113.328   11.462  105.767   11.899   28.906   1.4813   27.900   1.5945 1.005693 2.176333 
1 1 1   12    4  -53 o   38.668   1.1065  201.563   11.492  195.595   16.551  207.117   15.968   38.009   1.6212   39.132   1.5192 -1.122810 2.221827 
1 1 1   12    4  -52 o   13.264   2.0108   24.435   6.9393   20.656   10.529   27.337   9.2264   12.008   3.2049   13.923   2.5616 -1.914980 4.102854 
1 1 1   12    4  -51 o   38.963   0.9194  204.384   9.6220  198.310   13.114  211.467   14.161   38.336   1.2736   39.578   1.3321 -1.242477 1.843029 
1 1 1   12    4  -50 o   45.623   0.9422  280.246   11.546  281.359   16.401  279.152   16.256   45.655   1.3375   45.477   1.3309 0.1783028 1.886834 
1 1 1   12    4  -49 o   48.302   0.8224  313.893   10.670  308.677   15.088  319.112   15.090   47.854   1.1738   48.659   1.1546 -0.8050461 1.646548 
1 1 1   12    4  -48 o   14.100   1.8335   27.361   6.7792   45.595   10.728   15.239   8.7471   18.181   2.2445   10.410   2.9780 7.770461 3.729143 
1 1 1   12    4  -47 o   39.471   1.0102  209.701   10.709  203.749   12.778  223.750   19.630   38.886   1.2235   40.671   1.7970 -1.785557 2.173934 
1 1 1   12    4  -46 o   19.290   1.2179   50.320   6.2775   47.196   8.8373   53.502   8.9187   18.601   1.7909   19.831   1.6906 -1.229700 2.462811 
1 1 1   12    4  -45 o   59.681   0.8424  478.977   13.504  464.326   18.145  497.164   20.216   58.727   1.1504   60.756   1.2389 -2.029114 1.690597 
1 1 1   12    4  -44 o   27.012   1.1045   98.198   8.0134   86.219   13.298  105.029   10.042   25.174   1.9827   27.921   1.3390 -2.747259 2.392482 
1 1 1   12    4  -43 o   32.866   0.8418  145.232   7.4307  142.826   10.499  147.647   10.519   32.573   1.2000   33.119   1.1825 -0.5463638 1.684717 
1 1 1   12    4  -42 o   16.875   1.2536   38.544   5.6414   45.525   8.0023   31.646   7.9542   18.300   1.6456   15.175   2.0002 3.125135 2.590170 
1 1 1   12    4  -41 o  109.625   1.0948  1616.62   32.236  1604.80   41.652  1634.29   50.906  109.161   1.4206  110.087   1.7216 -0.9256210 2.232079 
1 1 1   12    4  -40 o   40.745   0.7671  223.110   8.3949  226.517   11.839  219.665   11.905   41.040   1.0740   40.413   1.0968 0.6267357 1.535095 
1 1 1   12    4  -39 o   89.797   0.9840  1084.03   23.733  1111.75   38.370  1066.86   30.204   90.864   1.5722   89.053   1.2628 1.811081 2.016533 
1 1 1   12    4  -38 f   58.121   0.7984  453.931   12.464  460.600   18.713  448.613   16.711   58.525   1.1905   57.765   1.0771 0.7595520 1.605378 
1 1 1   12    4  -37 o   51.018   0.8291  349.745   11.361  355.653   16.153  343.961   15.983   51.432   1.1693   50.579   1.1765 0.8528366 1.658715 
1 1 1   12    4  -36 o   31.359   0.9158  132.147   7.7137  132.148   9.5270  132.147   13.143   31.354   1.1313   31.340   1.5614 0.1374626E-01 1.928139 
1 1 1   12    4  -35 o   65.561   0.7659  577.462   13.487  591.448   19.231  563.928   18.918   66.337   1.0794   64.775   1.0874 1.562103 1.532133 
1 1 1   12    4  -34 o  117.423   1.1989  1853.38   37.811  1794.20   55.536  1904.51   51.625  115.469   1.7907  118.988   1.6153 -3.518837 2.411596 
1 1 1   12    4  -33 o   51.648   0.7767  358.366   10.775  355.802   16.561  360.248   14.188   51.451   1.1984   51.777   1.0202 -0.3263931 1.573858 
1 1 1   12    4  -32 o  100.895   1.0219  1367.86   27.692  1349.33   43.381  1380.59   35.976  100.169   1.6124  101.345   1.3216 -1.176376 2.084836 
1 1 1   12    4  -31 o   42.575   0.9755  243.535   11.155  266.484   20.262  233.555   13.362   44.516   1.6946   41.689   1.1933 2.827045 2.072615 
1 1 1   12    4  -30 o  138.331   1.1710  2571.26   43.508  2598.13   61.853  2544.94   61.213  139.014   1.6566  137.583   1.6565 1.430435 2.342673 
1 1 1   12    4  -29 o   94.368   0.9682  1196.33   24.542  1182.39   31.678  1217.27   38.814   93.805   1.2573   95.167   1.5185 -1.361580 1.971427 
1 1 1   12    4  -28 o   53.638   0.7119  386.426   10.257  393.422   14.454  379.330   14.556   54.117   0.9944   53.138   1.0199 0.9784431 1.424452 
1 1 1   12    4  -27 o  105.629   0.9548  1498.76   27.088  1476.63   37.963  1521.70   38.663  104.834   1.3483  106.421   1.3526 -1.587486 1.909807 
1 1 1   12    4  -26 o   94.507   0.9701  1199.73   24.625  1233.90   39.045  1177.16   31.731   95.828   1.5170   93.606   1.2621 2.221489 1.973334 
1 1 1   12    4  -25 o  253.141   1.9932  8612.87  135.519  8449.62  189.239  8784.71  194.161  250.628   2.8112  255.546   2.8288 -4.918732 3.988087 
1 1 1   12    4  -24 o  150.489   1.2496  3042.26   50.508  3013.22   70.974  3072.05   71.894  149.747   1.7646  151.201   1.7703 -1.454391 2.499553 
1 1 1   12    4  -23 f  162.824   1.3344  3561.48   58.358  3594.56   82.945  3529.06   82.122  163.554   1.8882  162.057   1.8867 1.496735 2.669228 
1 1 1   12    4  -22 o   46.490   0.7108  290.280   8.8755  296.324   13.260  285.375   11.946   46.969   1.0511   46.094   0.9649 0.8753090 1.426840 
1 1 1   12    4  -21 o   71.235   0.8858  681.552   16.948  659.389   25.595  698.858   22.617   70.062   1.3601   72.131   1.1674 -2.068893 1.792446 
1 1 1   12    4  -20 o   72.239   1.0795  700.935   20.946  676.227   30.284  723.596   29.002   70.948   1.5892   73.393   1.4712 -2.444626 2.165642 
1 1 1   12    4  -19 o   17.030   1.1708   39.141   5.3231   40.426   13.612   38.909   5.7836   17.079   3.0807   16.972   1.2782 0.1074219 3.335330 
1 1 1   12    4  -18 o  123.289   1.2275  2041.68   40.649  2025.26   60.651  2055.07   54.770  122.778   1.8392  123.684   1.6487 -0.9054031 2.469965 
1 1 1   12    4  -17 o  104.307   1.0886  1461.33   30.499  1402.66   44.998  1511.20   41.481  102.183   1.6395  106.066   1.4561 -3.883263 2.192765 
1 1 1   12    4  -16 o   68.382   0.8620  628.040   15.833  641.180   24.160  618.150   20.961   69.090   1.3019   67.840   1.1504 1.250710 1.737330 
1 1 1   12    4  -15 o  139.280   1.2797  2605.65   47.871  2674.28   68.676  2540.80   66.764  141.090   1.8123  137.524   1.8075 3.566025 2.559541 
1 1 1   12    4  -14 o  191.676   1.6857  4935.48   86.782  4940.04  122.765  4930.94  122.693  191.736   2.3839  191.559   2.3846 0.1768036 3.371837 
1 1 1   12    4  -13 o  301.391   2.7142 12208.24  219.721 11982.45  291.050 12507.42  335.037  298.501   3.6302  304.914   4.0909 -6.412811 5.469380 
1 1 1   12    4  -12 o  209.538   2.1806  5899.15  122.727  6157.68  192.593  5722.39  159.247  214.013   3.3505  206.340   2.8734 7.672974 4.413866 
1 1 1   12    4  -11 o  107.414   1.0955  1549.64   31.607  1531.79   54.368  1558.75   38.845  106.781   1.8957  107.726   1.3425 -0.9449539 2.322919 
1 1 1   12    4  -10 o  282.243   2.2040 10702.88  167.079 10638.60  235.423 10768.11  237.158  281.332   3.1156  283.039   3.1196 -1.706940 4.408934 
1 1 1   12    4   -9 o  264.813   2.0735  9421.07  147.477  9361.90  207.722  9481.22  209.417  263.932   2.9302  265.608   2.9355 -1.676239 4.147675 
1 1 1   12    4   -8 o  347.014   2.6889 16181.17  250.623 16156.25  354.135 16206.17  354.734  346.645   3.8036  347.180   3.8041 -0.5350952 5.379466 
1 1 1   12    4   -7 o  247.411   1.9442  8222.88  129.193  8271.46  183.383  8175.01  182.039  248.105   2.7519  246.654   2.7478 1.450562 3.888868 
1 1 1   12    4   -6 o  218.187   1.7281  6394.58  101.274  6316.17  142.105  6475.51  144.368  216.822   2.4401  219.539   2.4483 -2.717621 3.456670 
1 1 1   12    4   -5 o  206.550   1.6429  5730.50   91.143  5794.22  129.726  5668.39  128.080  207.676   2.3257  205.409   2.3215 2.267258 3.286061 
1 1 1   12    4   -4 o  198.779   1.5863  5307.29   84.695  5302.14  119.703  5312.46  119.850  198.666   2.2433  198.859   2.2439 -0.1932220 3.172937 
1 1 1   12    4   -3 f  166.319   1.5614  3715.48   69.752  3626.08   92.278  3834.66  106.542  164.296   2.0911  168.949   2.3479 -4.653244 3.144071 
1 1 1   12    4   -2 o  288.340   2.4630 11169.52  190.746 11198.24  246.678 11126.81  300.819  288.674   3.1815  287.707   3.8928 0.9671021 5.027519 
1 1 1   12    4   -1 o  235.171   1.8531  7428.85  117.050  7473.66  166.150  7384.69  164.924  235.855   2.6228  234.447   2.6191 1.408005 3.706564 
1 1 1   12    4    0 o  118.392   1.1172  1882.52   35.526  1892.94   50.435  1872.25   50.049  118.715   1.5818  118.064   1.5783 0.6504364 2.234481 
1 1 1   12    4    1 o  159.507   1.5052  3417.29   64.485  3482.86   87.549  3339.53   95.340  161.021   2.0243  157.668   2.2513 3.352722 3.027599 
1 1 1   12    4    2 o  193.476   1.5477  5027.84   80.430  5117.21  114.938  4942.09  112.588  195.173   2.1926  191.805   2.1855 3.368469 3.095730 
1 1 1   12    4    3 f   98.071   1.1658  1291.76   30.708  1339.72   48.043  1258.63   39.929   99.869   1.7910   96.802   1.5357 3.067009 2.359267 
1 1 1   12    4    4 o  130.469   1.4428  2286.31   50.560  2323.49   78.208  2259.62   66.271  131.513   2.2141  129.699   1.9024 1.814438 2.919093 
1 1 1   12    4    5 o  167.057   1.6648  3748.64   74.701  3724.78  121.642  3763.09   94.651  166.498   2.7201  167.369   2.1055 -0.8712616 3.439775 
1 1 1   12    4    6 o  235.602   2.0350  7456.74  128.777  7579.61  205.750  7377.60  165.117  237.481   3.2257  234.325   2.6235 3.156128 4.157837 
1 1 1   12    4    7 o  283.756   2.4269 10817.98  184.962 10875.89  262.502 10760.87  260.659  284.450   3.4359  282.943   3.4299 1.507660 4.854829 
1 1 1   12    4    8 o  158.634   1.4984  3380.12   63.843  3456.08   97.051  3322.17   84.767  160.388   2.2529  157.257   2.0069 3.131195 3.017133 
1 1 1   12    4    9 o  162.433   1.3853  3543.89   60.436  3516.34   89.203  3567.27   82.169  161.784   2.0528  162.956   1.8773 -1.172165 2.781814 
1 1 1   12    4   10 o  148.568   1.2841  2964.70   51.241  3012.25   76.748  2926.45   68.830  149.742   1.9082  147.598   1.7362 2.143799 2.579884 
1 1 1   12    4   11 o   53.495   0.8167  384.346   11.735  392.807   19.314  379.395   14.775   54.078   1.3297   53.149   1.0350 0.9294510 1.685068 
1 1 1   12    4   12 o  171.021   1.4502  3928.70   66.614  3983.93   99.628  3884.06   89.582  172.197   2.1541  170.032   1.9616 2.165497 2.913379 
1 1 1   12    4   13 o  110.305   1.2669  1634.27   37.535  1612.57   56.901  1650.99   49.941  109.558   1.9337  110.861   1.6772 -1.302849 2.559724 
1 1 1   12    4   14 o   52.566   0.8991  371.118   12.694  377.099   19.876  366.999   16.496   52.985   1.3967   52.272   1.1749 0.7128143 1.825131 
1 1 1   12    4   15 o  195.242   1.8064  5121.08   94.728  5181.93  143.111  5073.62  126.376  196.355   2.7136  194.308   2.4215 2.047089 3.636881 
1 1 1   12    4   16 o  174.009   1.5489  4067.42   72.393  4033.19  131.525  4082.30   86.709  173.221   2.8269  174.317   1.8520 -1.095245 3.379538 
1 1 1   12    4   17 o   84.803   1.1528  965.931   26.257  983.960   45.544  956.954   32.136   85.578   1.9814   84.404   1.4175 1.173340 2.436257 
1 1 1   12    4   18 o  223.476   2.1727  6710.67  130.415  6692.30  184.473  6729.02  184.395  223.107   3.0784  223.719   3.0687 -0.6121521 4.346686 
1 1 1   12    4   19 o  257.262   2.3352  8894.20  161.361  8752.69  276.725  8967.10  198.623  255.035   4.0398  258.270   2.8633 -3.235138 4.951591 
1 1 1   12    4   20 o   86.671   1.1705  1009.00   27.248  957.260   37.504  1066.84   39.654   84.412   1.6542   89.113   1.6568 -4.700500 2.341195 
1 1 1   12    4   21 o  152.111   1.4514  3108.23   59.298  3086.19   88.462  3126.21   79.908  151.543   2.1734  152.532   1.9505 -0.9895325 2.920239 
1 1 1   12    4   22 o  320.761   2.4969 13830.64  215.117 13834.88  304.284 13826.41  304.158  320.656   3.5330  320.558   3.5326 0.9814453E-01 4.996187 
1 1 1   12    4   23 f   56.368   0.7197  426.745   10.897  427.527   15.416  425.964   15.404   56.417   1.0174   56.314   1.0184 0.1032181 1.439499 
1 1 1   12    4   24 o  109.358   0.9808  1606.35   28.810  1606.43   40.671  1606.28   40.816  109.351   1.3847  109.345   1.3898 0.5241394E-02 1.961875 
1 1 1   12    4   25 o  197.649   1.5872  5249.02   84.261  5186.62  118.272  5313.34  120.075  196.419   2.2419  198.803   2.2487 -2.384384 3.175322 
1 1 1   12    4   26 o  172.454   1.4085  3995.87   65.243  4003.76   92.326  3988.01   92.208  172.584   1.9917  172.244   1.9931 0.3399353 2.817718 
1 1 1   12    4   27 o   48.989   0.9049  322.365   11.906  325.264   16.862  319.483   16.814   49.203   1.2759   48.764   1.2837 0.4393578 1.809972 
1 1 1   12    4   28 o   84.732   0.8796  964.414   20.019  948.472   26.869  984.305   30.013   84.021   1.1906   85.590   1.3056 -1.568672 1.766941 
1 1 1   12    4   29 o   95.462   0.9901  1224.25   25.386  1199.81   35.482  1249.88   36.337   94.488   1.3981   96.439   1.4028 -1.951302 1.980558 
1 1 1   12    4   30 o   42.357   0.8414  241.016   9.5722  234.709   13.340  247.709   13.743   41.794   1.1884   42.935   1.1917 -1.141769 1.683001 
1 1 1   12    4   31 o   69.525   0.7801  649.328   14.567  646.607   20.453  652.129   20.751   69.369   1.0977   69.665   1.1090 -0.2951279 1.560440 
1 1 1   12    4   32 o  126.055   1.0949  2135.28   37.069  2130.10   52.268  2140.52   52.581  125.863   1.5461  126.170   1.5516 -0.3069763 2.190429 
1 1 1   12    4   33 o   69.022   0.9446  640.119   17.511  626.129   21.907  664.872   29.140   68.253   1.1950   70.313   1.5430 -2.060585 1.951632 
1 1 1   12    4   34 o   80.195   0.8678  864.091   18.692  857.359   25.268  872.229   27.780   79.866   1.1779   80.549   1.2840 -0.6830063 1.742478 
1 1 1   12    4   35 o   56.303   0.7537  425.879   11.398  424.349   15.997  427.457   16.244   56.191   1.0599   56.395   1.0724 -0.2048531 1.507799 
1 1 1   12    4   36 o   89.941   0.8868  1087.01   21.423  1106.56   30.495  1067.95   30.102   90.720   1.2515   89.122   1.2575 1.597145 1.774156 
1 1 1   12    4   37 o   92.586   0.9013  1151.99   22.413  1131.44   31.401  1173.33   32.001   91.726   1.2746   93.408   1.2755 -1.682350 1.803179 
1 1 1   12    4   38 f   43.194   0.8490  250.734   9.8503  274.964   15.742  235.141   12.628   45.213   1.2963   41.819   1.1243 3.393837 1.715902 
1 1 1   12    4   39 o   89.368   0.9738  1073.67   23.375  1077.90   36.865  1070.82   30.229   89.476   1.5340   89.218   1.2615 0.2577057 1.986054 
1 1 1   12    4   40 o   45.833   0.9081  282.395   11.179  273.557   16.570  289.779   15.145   45.080   1.3685   46.409   1.2150 -1.328808 1.830001 
1 1 1   12    4   41 o   13.511   1.5015   24.892   5.3565   23.898   7.0646   26.236   8.2154   13.144   2.0695   13.743   2.3074 -0.5991974 3.099503 
1 1 1   12    4   42 o   44.411   0.7761  265.124   9.2574  261.371   11.973  270.702   14.597   44.081   1.0113   44.846   1.2118 -0.7645340 1.578354 
1 1 1   12    4   43 o   43.742   0.8951  257.294   10.516  251.248   13.411  266.947   16.944   43.205   1.1556   44.510   1.4173 -1.304489 1.828756 
1 1 1   12    4   44 o   81.059   1.0176  884.019   22.154  873.235   33.383  892.506   29.616   80.468   1.5446   81.390   1.3548 -0.9224472 2.054524 
1 1 1   12    4   45 o   44.832   0.8683  270.301   10.455  283.305   14.794  257.327   14.778   45.868   1.2009   43.708   1.2588 2.159386 1.739747 
1 1 1   12    4   46 o   46.555   0.8212  291.469   10.269  295.137   14.500  287.778   14.545   46.816   1.1531   46.226   1.1715 0.5893097 1.643782 
1 1 1   12    4   47 o   78.703   0.8740  833.274   18.475  815.731   25.946  851.316   26.313   77.803   1.2416   79.484   1.2325 -1.680893 1.749475 
1 1 1   12    4   48 o   12.708   2.0032   22.419   6.6108   21.557   8.6954   23.600   10.177   12.327   2.7009   12.864   3.0004 -0.5374565 4.036993 
1 1 1   12    4   49 o   19.099   1.4245   49.525   7.2549   38.003   11.310   57.582   9.4569   16.472   2.6459   20.553   1.7292 -4.080830 3.160839 
1 1 1   12    4   50 o   25.486   1.1820   87.578   8.0912   88.724   15.310   87.134   9.5309   25.421   2.2661   25.362   1.4046 0.5862999E-01 2.666114 
1 1 1   12    4   51 o   79.966   1.0616  861.615   22.802  869.278   30.629  852.088   34.151   80.215   1.4216   79.354   1.6023 0.8607407 2.142053 
1 1 1   12    4   52 o   11.819   2.3374   19.708   7.1571   24.218   10.122   15.199   10.121   13.010   2.9629   10.477   3.2544 2.533648 4.401145 
1 1 1   12    4   53 o   24.490   1.2545   81.151   8.2245   62.753   12.266   96.180   11.086   21.356   2.1684   26.617   1.5575 -5.260653 2.669760 
1 1 1   12    4   54 o   63.477   0.9131  542.628   15.568  536.673   21.197  549.604   22.940   63.050   1.2517   63.781   1.3391 -0.7309875 1.832994 
1 1 1   12    4   55 o   17.514   1.6068   41.934   7.4742   42.701   10.742   41.215   10.406   17.505   2.3435   17.202   2.3107 0.3037605 3.291096 
1 1 1   12    4   56 o   24.869   1.4014   84.042   9.3230  104.422   13.269   64.170   13.102   27.632   1.7976   21.494   2.3056 6.138149 2.923554 
1 1 1   12    4   57 o   49.437   1.0189  330.018   13.529  339.265   19.460  321.369   18.821   49.986   1.4495   48.654   1.4403 1.332932 2.043360 
1 1 1   12    4   58 o   31.658   1.2499  135.899   10.628  129.835   14.947  142.100   15.114   30.729   1.8191   32.178   1.7554 -1.448639 2.527982 
1 1 1   12    4   59 o   26.466   1.6781   96.346   11.867   71.676   16.078  125.868   17.588   22.367   2.7332   30.022   2.1964 -7.655581 3.506366 
1 1 1   12    4   60 o   23.645   1.6497   77.147   10.411   75.401   15.499   78.582   14.054   22.953   2.5574   23.601   2.2440 -0.6480560 3.402378 
1 1 1   12    5  -60 o   8.2198   3.8747 -16.8200   22.203   0.0000   0.0000 -16.8200   22.203  ?   ?    8.2198   3.8747 0.000000 3.874654 
1 1 1   12    5  -59 o   16.971   3.5183   43.646   15.511   58.710   29.199   37.724   18.307   18.450   5.4876   15.409   4.2739 3.041087 6.955542 
1 1 1   12    5  -58 o   43.849   1.4988  262.133   17.652  248.007   24.410  277.619   25.557   42.265   2.1575   44.790   2.1244 -2.524906 3.027844 
1 1 1   12    5  -57 o   25.674   1.4703   89.903   10.097  102.036   16.200   82.196   12.911   27.089   2.2469   24.388   1.9883 2.700197 3.000318 
1 1 1   12    5  -56 o   36.270   1.0846  177.684   10.566  185.997   15.142  169.794   14.751   37.007   1.5234   35.350   1.5536 1.656570 2.175860 
1 1 1   12    5  -55 o   6.9668   2.6743   4.6664   7.0247   5.3799   9.8454   3.9266   10.026   7.9472   3.1329   7.6970   3.1182 0.2501569 4.420175 
1 1 1   12    5  -54 o   9.2919   2.5838   12.227   6.6823   3.0062   9.4189   21.571   9.4817   7.3482   3.0051   12.251   2.9225 -4.902638 4.191834 
1 1 1   12    5  -53 o   14.266   2.0806   28.271   7.7376   23.781   10.674   33.242   11.232   12.856   3.1224   15.307   2.8365 -2.450508 4.218405 
1 1 1   12    5  -52 o   30.080   1.1150  121.977   9.0081  114.460   12.307  130.652   13.220   29.040   1.5839   31.030   1.5916 -1.990255 2.245411 
1 1 1   12    5  -51 o   14.645   1.5811   29.351   6.1204   15.432   9.1400   40.666   8.2408   10.465   3.0590   17.224   1.8083 -6.758628 3.553474 
1 1 1   12    5  -50 o   17.160   1.4949   40.105   6.8212   45.708   9.6458   34.501   9.6474   18.235   2.0024   15.734   2.3552 2.500246 3.091397 
1 1 1   12    5  -49 o   23.644   1.2886   75.653   8.1528   76.447   12.013   74.975   11.101   23.663   1.9063   23.458   1.7750 0.2047176 2.604709 
1 1 1   12    5  -48 o   25.767   1.1257   89.461   7.7907   91.717   10.268   86.401   11.959   26.017   1.4755   25.198   1.7785 0.8191662 2.310852 
1 1 1   12    5  -47 o   36.927   0.9733  183.544   9.6531  189.299   12.265  174.176   15.648   37.478   1.2185   35.900   1.6228 1.577450 2.029299 
1 1 1   12    5  -46 o   45.745   0.8725  281.500   10.720  282.825   14.479  279.892   15.949   45.822   1.1765   45.568   1.3031 0.2537003 1.755579 
1 1 1   12    5  -45 o   36.855   0.8351  182.665   8.2665  186.009   11.713  179.346   11.668   37.165   1.1734   36.492   1.1905 0.6732101 1.671540 
1 1 1   12    5  -44 o   30.457   0.9097  124.766   7.4413  112.475   10.625  136.599   10.425   28.889   1.3693   31.849   1.2187 -2.959322 1.833075 
1 1 1   12    5  -43 o   41.250   0.8808  228.825   9.7586  219.863   14.662  235.951   13.075   40.397   1.3513   41.866   1.1628 -1.469254 1.782711 
1 1 1   12    5  -42 o   63.089   0.7896  535.080   13.380  535.396   18.944  534.765   18.900   63.075   1.1182   63.038   1.1162 0.3698349E-01 1.579978 
1 1 1   12    5  -41 o   27.877   0.9110  104.495   6.8214   95.724   10.150  111.720   9.2117   26.619   1.4248   28.812   1.1904 -2.192310 1.856642 
1 1 1   12    5  -40 o   59.949   0.8633  483.138   13.901  508.483   18.970  453.746   20.429   61.478   1.1489   58.059   1.3100 3.418831 1.742431 
1 1 1   12    5  -39 o   93.992   0.9104  1187.63   22.983  1208.24   32.693  1167.49   32.315   94.758   1.2846   93.145   1.2917 1.612740 1.821681 
1 1 1   12    5  -38 o   42.794   0.8501  246.128   9.7711  263.870   16.269  236.117   12.221   44.283   1.3679   41.905   1.0858 2.378250 1.746397 
1 1 1   12    5  -37 o   38.917   0.7995  203.512   8.3573  196.647   11.091  212.531   12.712   38.245   1.0797   39.756   1.1905 -1.510044 1.607180 
1 1 1   12    5  -36 o   90.923   0.9712  1111.09   23.717  1124.95   30.718  1090.64   37.320   91.465   1.2504   90.030   1.5434 1.435646 1.986319 
1 1 1   12    5  -35 o   32.777   0.8309  144.349   7.3145  139.652   9.5254  151.099   11.419   32.233   1.1003   33.523   1.2682 -1.290024 1.678941 
1 1 1   12    5  -34 o   85.725   0.8551  987.396   19.690  998.477   27.968  976.507   27.725   86.183   1.2082   85.229   1.2111 0.9536209 1.710728 
1 1 1   12    5  -33 o  130.189   1.3749  2278.92   48.078  2284.58   78.601  2275.53   60.772  130.221   2.2473  130.046   1.7399 0.1752625 2.842079 
1 1 1   12    5  -32 o  120.699   1.2223  1958.12   39.625  1899.99   67.191  1989.13   49.065  118.792   2.1059  121.623   1.5020 -2.831017 2.586615 
1 1 1   12    5  -31 o   22.104   0.9625   65.644   5.7144   53.865   7.3401   83.768   9.1049   19.970   1.3769   24.926   1.3652 -4.955757 1.938939 
1 1 1   12    5  -30 o   72.241   0.8466  701.084   16.427  687.950   25.307  710.646   21.594   71.544   1.3170   72.723   1.1055 -1.179169 1.719455 
1 1 1   12    5  -29 o   68.861   0.7613  636.952   14.081  620.929   19.657  653.837   20.179   67.981   1.0766   69.759   1.0770 -1.778152 1.522794 
1 1 1   12    5  -28 o  132.436   1.2340  2356.71   43.896  2386.95   57.227  2313.50   68.420  133.258   1.5989  131.164   1.9421 2.094330 2.515594 
1 1 1   12    5  -27 o  104.750   0.9501  1473.98   26.731  1455.19   37.470  1493.46   38.146  104.066   1.3405  105.425   1.3471 -1.359131 1.900476 
1 1 1   12    5  -26 o  116.035   1.0202  1808.68   31.796  1830.37   45.154  1787.35   44.780  116.712   1.4404  115.332   1.4456 1.379837 2.040701 
1 1 1   12    5  -25 o   48.321   0.6941  313.612   9.0089  329.471   12.715  297.627   12.766   49.526   0.9559   47.071   1.0097 2.454803 1.390412 
1 1 1   12    5  -24 o   84.534   0.9072  959.843   20.597  963.062   26.567  954.991   32.610   84.671   1.1682   84.309   1.4401 0.3619232 1.854337 
1 1 1   12    5  -23 o  188.382   1.5180  4767.98   76.807  4836.96  109.421  4700.98  107.840  189.698   2.1476  187.013   2.1469 2.685364 3.036662 
1 1 1   12    5  -22 o  241.698   1.8319  7849.84  118.922  7838.59  161.876  7863.03  175.285  241.464   2.4960  241.818   2.6988 -0.3540344 3.676018 
1 1 1   12    5  -21 o   83.717   0.8577  941.328   19.285  915.769   25.620  974.742   29.294   82.569   1.1553   85.184   1.2804 -2.615051 1.724516 
1 1 1   12    5  -20 o  111.453   1.0850  1668.49   32.479  1669.27   45.907  1667.71   45.958  111.470   1.5333  111.418   1.5357 0.5215454E-01 2.170124 
1 1 1   12    5  -19 o  170.917   1.7057  3924.71   78.304  4005.21  100.270  3798.89  125.364  172.640   2.1624  168.100   2.7766 4.540222 3.519307 
1 1 1   12    5  -18 o   53.216   0.9707  380.366   13.875  400.713   19.846  360.912   19.406   54.618   1.3528   51.834   1.3939 2.783775 1.942464 
1 1 1   12    5  -17 o   59.653   0.9159  477.936   14.676  443.101   21.659  507.505   19.955   57.434   1.4040   61.468   1.2086 -4.034328 1.852592 
1 1 1   12    5  -16 o  313.909   2.5530 13243.53  215.252 13265.45  319.505 13225.31  291.275  314.023   3.7881  313.592   3.4582 0.4311829 5.129208 
1 1 1   12    5  -15 o   82.209   0.9231  907.701   20.383  881.151   27.208  941.664   30.772   80.994   1.2507   83.728   1.3683 -2.733475 1.853792 
1 1 1   12    5  -14 o   81.563   0.9157  893.497   20.060  857.795   29.677  923.535   27.221   79.912   1.3827   82.920   1.2222 -3.007584 1.845433 
1 1 1   12    5  -13 o  146.015   1.2111  2863.69   47.497  2863.98   67.140  2863.40   67.202  146.011   1.7120  145.996   1.7138 0.1490784E-01 2.422382 
1 1 1   12    5  -12 o  181.533   1.6013  4426.81   78.074  4488.80  101.708  4337.89  121.822  182.782   2.0717  179.663   2.5245 3.118927 3.265736 
1 1 1   12    5  -11 o  130.337   1.2051  2281.73   42.189  2286.17   54.595  2275.16   66.470  130.457   1.5581  130.134   1.9017 0.3227386 2.458488 
1 1 1   12    5  -10 o  362.758   3.0771 17688.85  299.809 17835.66  476.434 17592.60  385.764  364.004   4.8731  361.657   3.9713 2.347107 6.286343 
1 1 1   12    5   -9 o  156.997   1.5734  3310.95   66.349  3182.46   91.577  3452.92   96.262  153.902   2.2154  160.308   2.2357 -6.405548 3.147412 
1 1 1   12    5   -8 o  183.836   1.6189  4539.76   79.938  4503.94  125.726  4564.06  103.567  183.075   2.5569  184.312   2.0921 -1.237152 3.303667 
1 1 1   12    5   -7 o  144.695   1.2005  2812.09   46.655  2808.95   65.929  2815.25   66.030  144.605   1.6975  144.767   1.6982 -0.1621246 2.401078 
1 1 1   12    5   -6 o  135.119   1.1337  2452.14   41.145  2486.20   58.661  2419.15   57.726  136.046   1.6054  134.200   1.6015 1.846725 2.267588 
1 1 1   12    5   -5 o  293.281   2.2859 11556.42  180.070 11744.63  257.296 11375.74  252.099  295.593   3.2408  290.915   3.2264 4.678040 4.572956 
1 1 1   12    5   -4 o  301.368   2.5706 12203.77  208.079 12276.36  269.632 12096.90  327.185  302.207   3.3218  299.922   4.0616 2.285065 5.246970 
1 1 1   12    5   -3 o  131.373   1.2815  2318.11   45.218  2363.49   61.335  2264.08   66.925  132.646   1.7216  129.822   1.9193 2.823364 2.578281 
1 1 1   12    5   -2 o  143.142   1.2419  2751.99   47.748  2795.66   65.282  2701.76   70.017  144.265   1.6848  141.819   1.8381 2.446472 2.493420 
1 1 1   12    5   -1 o  306.429   2.3841 12615.79  196.223 12663.48  278.217 12568.59  276.792  306.939   3.3747  305.787   3.3701 1.151733 4.769310 
1 1 1   12    5    0 o  202.283   1.6124  5496.29   87.606  5551.66  124.687  5442.31  123.113  203.279   2.2837  201.267   2.2774 2.011688 3.225190 
1 1 1   12    5    1 o   79.302   0.7805  844.609   16.624  865.072   23.821  825.179   23.211   80.255   1.1051   78.383   1.1025 1.872322 1.560991 
1 1 1   12    5    2 o  371.483   3.0020 18545.94  299.535 18546.34  405.537 18545.46  444.329  371.376   4.0656  371.318   4.4552 0.5758667E-01 6.031406 
1 1 1   12    5    3 o   99.064   1.1765  1318.08   31.304  1411.19   60.888  1284.64   36.496  102.489   2.2119   97.797   1.3894 4.691826 2.612084 
1 1 1   12    5    4 o  131.948   1.3623  2338.47   48.281  2322.90   68.212  2354.11   68.348  131.497   1.9313  132.378   1.9223 -0.8805542 2.724895 
1 1 1   12    5    5 o  346.695   3.1039 16155.24  289.034 16527.96  439.840 15871.97  383.450  350.489   4.6723  343.530   4.1558 6.958954 6.253057 
1 1 1   12    5    6 o  233.040   2.1242  7296.19  132.957  7310.46  230.575  7289.08  162.737  233.174   3.6816  232.903   2.6015 0.2710571 4.508000 
1 1 1   12    5    7 o   82.013   0.8763  903.348   19.303  894.427   30.541  909.282   24.910   81.602   1.3934   82.280   1.1272 -0.6773911 1.792241 
1 1 1   12    5    8 o  282.397   2.3035 10715.33  174.723 10620.09  257.729 10796.32  237.678  281.054   3.4141  283.402   3.1224 -2.348358 4.626657 
1 1 1   12    5    9 o   87.480   1.0935  1027.86   25.694  1042.41   39.608  1017.29   33.761   88.090   1.6740   87.026   1.4444 1.064613 2.211016 
1 1 1   12    5   10 o  170.095   1.5137  3886.35   69.154  3882.86  109.192  3888.70   89.360  169.990   2.3915  170.133   1.9555 -0.1436462 3.089251 
1 1 1   12    5   11 o  183.827   1.5469  4539.32   76.376  4513.14  112.791  4561.48  103.792  183.268   2.2914  184.256   2.0973 -0.9873199 3.106262 
1 1 1   12    5   12 o   42.170   0.8131  238.836   9.2094  249.688   13.239  228.661   12.819   43.116   1.1432   41.260   1.1567 1.855419 1.626332 
1 1 1   12    5   13 o  125.579   1.2391  2118.21   41.793  2084.16   62.107  2146.39   56.498  124.553   1.8565  126.403   1.6641 -1.850235 2.493171 
1 1 1   12    5   14 o  131.868   1.3666  2335.78   48.403  2337.91   68.730  2333.70   68.176  131.914   1.9398  131.796   1.9259 0.1184845 2.733520 
1 1 1   12    5   15 o  143.855   1.3853  2779.78   53.525  2802.12   93.135  2768.76   65.405  144.401   2.4013  143.562   1.6962 0.8384247 2.939982 
1 1 1   12    5   16 o  147.403   1.4145  2918.61   56.001  2944.88   97.455  2905.66   68.427  148.029   2.4511  147.067   1.7323 0.9629211 3.001470 
1 1 1   12    5   17 o  195.443   1.9177  5132.15  100.666  5277.74  167.298  5049.52  126.036  198.120   3.1439  193.837   2.4208 4.283051 3.967946 
1 1 1   12    5   18 o  208.980   1.8271  5867.55  102.553  5780.67  185.259  5905.93  123.141  207.323   3.3269  209.642   2.1869 -2.319229 3.981307 
1 1 1   12    5   19 o  208.253   2.1759  5828.08  121.709  5934.57  187.790  5750.95  159.818  210.055   3.3285  206.820   2.8770 3.235489 4.399546 
1 1 1   12    5   20 o  151.316   1.5383  3075.95   62.520  2976.78  100.676  3138.20   79.764  148.813   2.5188  152.823   1.9432 -4.010208 3.181274 
1 1 1   12    5   21 o   99.104   1.0029  1319.20   26.697  1303.43   42.035  1329.87   34.562   98.498   1.5889   99.498   1.2933 -1.000740 2.048708 
1 1 1   12    5   22 o   89.243   0.9004  1069.73   21.583  1088.15   29.273  1047.80   31.947   90.003   1.2109   88.316   1.3468 1.687149 1.811137 
1 1 1   12    5   23 o  100.437   0.9278  1354.94   25.029  1367.20   35.507  1342.83   35.287  100.882   1.3104   99.979   1.3141 0.9033966 1.855779 
1 1 1   12    5   24 o  153.432   1.3302  3162.70   54.819  3127.58   73.718  3206.16   81.993  152.554   1.7991  154.447   1.9765 -1.893585 2.672729 
1 1 1   12    5   25 o  145.263   1.3348  2835.02   52.079  2856.42   67.422  2803.38   82.001  145.790   1.7218  144.404   2.1142 1.385666 2.726640 
1 1 1   12    5   26 o   96.397   0.9451  1248.22   24.471  1233.32   32.871  1266.74   36.650   95.810   1.2774   97.095   1.4054 -1.285027 1.899129 
1 1 1   12    5   27 o   96.674   1.1030  1255.57   28.641  1265.84   46.982  1249.50   36.131   97.038   1.8026   96.429   1.3950 0.6090240 2.279352 
1 1 1   12    5   28 o   50.945   0.7917  348.627   10.834  334.045   15.067  364.233   15.588   49.863   1.1250   52.067   1.1146 -2.204559 1.583699 
1 1 1   12    5   29 o   80.844   0.8538  877.987   18.540  864.331   25.043  894.549   27.578   80.203   1.1625   81.589   1.2585 -1.386154 1.713257 
1 1 1   12    5   30 o   21.094   0.9637   59.783   5.4603   66.001   7.7050   53.509   7.7393   22.122   1.3025   19.898   1.4583 2.223993 1.955265 
1 1 1   12    5   31 o  144.219   1.2158  2795.38   47.097  2832.11   67.043  2759.59   66.176  145.108   1.7202  143.238   1.7201 1.869827 2.432628 
1 1 1   12    5   32 o   73.194   0.8613  719.784   16.933  732.586   24.093  707.289   23.803   73.827   1.2150   72.540   1.2217 1.286201 1.723018 
1 1 1   12    5   33 o   58.477   0.8893  459.454   13.968  445.070   21.023  470.823   18.689   57.535   1.3604   59.185   1.1757 -1.649864 1.798039 
1 1 1   12    5   34 o  161.252   1.3971  3496.63   60.512  3481.64   81.562  3514.99   90.249  160.818   1.8883  161.544   2.0800 -0.7266693 2.809236 
1 1 1   12    5   35 o   29.541   0.9711  117.276   7.7050  113.467   9.6058  124.150   12.903   29.051   1.2311   30.335   1.5891 -1.284149 2.010195 
1 1 1   12    5   36 o   40.280   0.8156  218.007   8.8241  230.933   13.386  208.073   11.735   41.443   1.2025   39.342   1.1105 2.101242 1.636875 
1 1 1   12    5   37 o   27.329   0.9817  100.387   7.2060  102.283   11.014   98.969   9.5283   27.529   1.4952   27.125   1.3078 0.4034328 1.986474 
1 1 1   12    5   38 o   53.796   0.7676  388.897   11.091  384.815   15.521  393.155   15.855   53.497   1.0802   54.073   1.0917 -0.5758553 1.535793 
1 1 1   12    5   39 o   57.017   0.7763  436.899   11.888  420.161   16.553  454.730   17.085   55.893   1.1026   58.148   1.0939 -2.254601 1.553192 
1 1 1   12    5   40 o   35.686   0.8323  171.184   7.9776  183.190   11.279  159.165   11.285   36.901   1.1380   34.391   1.2217 2.509403 1.669607 
1 1 1   12    5   41 o  134.112   1.2732  2421.38   45.862  2409.31   58.964  2439.85   72.967  133.669   1.6424  134.373   2.0217 -0.7038727 2.604754 
1 1 1   12    5   42 o   54.364   0.8114  397.329   11.848  404.517   16.039  388.696   17.578   54.829   1.0891   53.733   1.2180 1.096073 1.633909 
1 1 1   12    5   43 o   29.109   1.0433  114.009   8.1572  113.159   10.540  115.279   12.881   28.981   1.3541   29.183   1.6501 -0.2015171 2.134540 
1 1 1   12    5   44 o   80.899   0.8711  880.165   18.927  883.400   26.799  876.945   26.735   80.991   1.2319   80.694   1.2335 0.2967834 1.743347 
1 1 1   12    5   45 o   74.594   0.8475  748.342   16.979  762.636   24.204  734.492   23.825   75.250   1.1975   73.848   1.2012 1.402199 1.696159 
1 1 1   12    5   46 o   25.560   1.0366   87.945   7.1163   82.432   10.002   93.597   10.127   24.668   1.5169   26.302   1.4390 -1.634146 2.090911 
1 1 1   12    5   47 o   46.402   0.8311  289.640   10.358  287.047   14.550  292.304   14.748   46.156   1.1736   46.576   1.1789 -0.4200325 1.663523 
1 1 1   12    5   48 o   4.7227   2.1456  -3.5248   5.9315  -6.1423   8.5513  -1.0975   8.2345   5.5055   2.5294   6.1709   2.6783 -0.6654215 3.683907 
1 1 1   12    5   49 o   33.417   1.0316  150.421   9.2593  150.899   14.317  150.077   12.140   33.400   1.5960   33.342   1.3556 0.5768967E-01 2.093960 
1 1 1   12    5   50 o   24.693   1.2344   82.254   8.1869   83.028   10.850   81.230   12.476   24.712   1.6440   24.388   1.9202 0.3246555 2.527822 
1 1 1   12    5   51 o   23.146   1.4054   72.643   8.6958   84.788   14.150   65.272   11.023   24.866   2.1394   21.847   1.8974 3.018848 2.859583 
1 1 1   12    5   52 o   16.740   1.9405   38.562   8.5633   43.373   15.567   36.474   10.254   17.375   3.4574   16.162   2.4379 1.212200 4.230524 
1 1 1   12    5   53 o   19.114   1.5757   49.788   8.0173   54.581   10.769   43.829   12.008   19.925   2.0411   17.695   2.6044 2.230087 3.308905 
1 1 1   12    5   54 o   37.694   0.9724  191.465   9.8447  189.708   13.948  193.209   13.897   37.456   1.3865   37.803   1.3687 -0.3472748 1.948215 
1 1 1   12    5   55 o   40.196   1.1320  218.132   12.221  235.810   18.285  203.857   16.430   41.676   1.6335   38.763   1.5781 2.912315 2.271275 
1 1 1   12    5   56 o   54.165   0.9822  395.849   14.289  401.170   20.466  390.788   19.959   54.396   1.4008   53.694   1.3840 0.7024574 1.969182 
1 1 1   12    5   57 o   27.990   1.3699  106.350   10.299  102.147   14.538  110.583   14.592   27.198   2.0042   28.332   1.9289 -1.134415 2.781681 
1 1 1   12    5   58 o   34.521   1.2931  161.846   11.989  164.273   18.745  160.166   15.597   34.441   2.0353   34.204   1.6978 0.2377663 2.650492 
1 1 1   12    5   59 o   12.893   2.6704   24.328   8.9432   27.710   12.575   20.867   12.721   13.496   3.4546   11.773   3.6471 1.722240 5.023509 
1 1 1   12    5   60 o   17.418   2.6276   44.070   11.911   39.818   19.422   46.633   15.079   15.586   4.4302   17.558   3.3192 -1.972008 5.535687 
1 1 1   12    6  -59 o   24.504   3.0871   88.229   19.867   71.470   27.968  105.300   28.227   20.549   5.0929   25.922   4.1976 -5.373093 6.599808 
1 1 1   12    6  -58 o   10.701   3.9062   15.270   14.604   22.253   17.279  -2.1900   27.324   12.309   4.2743   10.522   4.7075 1.786954 6.358490 
1 1 1   12    6  -57 o   34.624   1.6899  163.908   15.716  142.554   21.991  186.197   22.467   31.816   2.5961   36.563   2.2995 -4.746695 3.468050 
1 1 1   12    6  -56 o   22.454   1.4705   68.780   8.8196   72.707   12.346   64.687   12.604   22.932   2.0252   21.562   2.2074 1.370148 2.995652 
1 1 1   12    6  -55 o   7.5028   2.8560   5.7281   7.9697   3.0965   11.282   8.3493   11.260   7.8838   3.2633   8.9058   3.3936 -1.022027 4.708056 
1 1 1   12    6  -54 o   19.145   1.4979   49.947   7.6407   42.648   11.213   56.274   10.440   17.457   2.4596   20.233   1.9450 -2.775585 3.135740 
1 1 1   12    6  -53 o   58.261   0.8958  457.116   14.018  467.064   19.038  445.338   20.716   58.825   1.2050   57.406   1.3436 1.419476 1.804734 
1 1 1   12    6  -52 o   23.056   1.2662   71.973   7.8113   71.599   12.332   72.224   10.094   22.852   2.0304   23.034   1.6424 -0.1816254 2.611485 
1 1 1   12    6  -51 o   9.7169   2.4975   13.411   6.5538   7.7511   9.4385   18.681   9.1072   8.4229   3.1289   11.427   2.9478 -3.004562 4.298757 
1 1 1   12    6  -50 o   22.516   1.2708   68.634   7.6535   72.238   11.841   66.049   10.030   22.982   1.9364   22.014   1.7098 0.9682293 2.583195 
1 1 1   12    6  -49 o   60.178   0.9009  487.523   14.562  469.377   21.134  503.923   20.092   58.963   1.3345   61.120   1.2239 -2.156994 1.810752 
1 1 1   12    6  -48 o   13.600   2.1372   25.744   7.5494   26.644   9.3461   24.054   12.806   13.734   2.6294   12.947   3.5681 0.7871294 4.432306 
1 1 1   12    6  -47 o   55.494   0.8552  414.361   12.747  413.829   18.983  414.798   17.201   55.394   1.2759   55.480   1.1543 -0.8600235E-01 1.720572 
1 1 1   12    6  -46 o   26.993   1.0429   98.103   7.5615   90.640   9.8731  108.691   11.760   25.879   1.4259   28.327   1.5515 -2.448427 2.107239 
1 1 1   12    6  -45 o   49.827   0.7964  333.874   10.659  326.930   15.003  340.952   15.146   49.272   1.1336   50.319   1.1207 -1.047096 1.594077 
1 1 1   12    6  -44 o   61.119   0.7960  502.298   13.066  507.359   18.538  497.301   18.420   61.388   1.1243   60.776   1.1284 0.6121407 1.592929 
1 1 1   12    6  -43 o   57.290   0.8802  441.410   13.544  432.743   21.968  446.724   17.202   56.656   1.4436   57.609   1.1117 -0.9531937 1.822076 
1 1 1   12    6  -42 o   35.671   0.8150  171.077   7.8088  164.158   10.883  178.418   11.210   34.921   1.1603   36.407   1.1464 -1.486160 1.631158 
1 1 1   12    6  -41 o   25.164   0.9276   85.160   6.2693   91.259   8.7221   78.641   9.0176   26.035   1.2473   24.120   1.3979 1.914690 1.873499 
1 1 1   12    6  -40 o   72.287   0.8219  702.466   15.958  708.291   24.623  698.248   20.955   72.536   1.2639   72.043   1.0829 0.4932175 1.664344 
1 1 1   12    6  -39 o   47.185   0.8608  299.291   10.909  299.653   14.962  298.880   15.939   47.192   1.1804   47.126   1.2592 0.6695175E-01 1.725964 
1 1 1   12    6  -38 o   56.036   0.7953  422.011   11.969  407.880   17.561  434.273   16.358   55.065   1.1873   56.827   1.0717 -1.762417 1.599486 
1 1 1   12    6  -37 o   23.244   1.0654   72.643   6.6516   60.546   9.5672   83.962   9.2541   21.134   1.6998   24.941   1.3869 -3.806965 2.193845 
1 1 1   12    6  -36 o   49.543   0.7776  329.809   10.347  324.934   13.821  336.028   15.608   49.164   1.0466   49.991   1.1625 -0.8264351 1.564195 
1 1 1   12    6  -35 o   76.099   0.8841  778.212   18.071  764.451   23.200  799.446   28.818   75.407   1.1455   77.094   1.3917 -1.686981 1.802500 
1 1 1   12    6  -34 o   51.115   0.7660  351.031   10.516  353.636   14.151  347.818   15.717   51.295   1.0271   50.866   1.1504 0.4287262 1.542165 
1 1 1   12    6  -33 o   16.650   1.1978   37.460   5.3209   28.983   8.3657   43.220   6.8953   14.501   2.2184   17.868   1.4492 -3.367141 2.649864 
1 1 1   12    6  -32 o  133.117   1.3146  2382.34   47.003  2430.08   71.065  2345.22   62.669  134.352   1.9693  132.017   1.7674 2.335220 2.646111 
1 1 1   12    6  -31 o   98.761   1.0654  1310.74   28.262  1245.28   40.638  1372.06   39.332   96.226   1.5724  101.016   1.4496 -4.790588 2.138646 
1 1 1   12    6  -30 o   77.427   0.9305  805.453   19.351  790.299   28.061  819.196   26.721   76.675   1.3625   78.069   1.2743 -1.393982 1.865595 
1 1 1   12    6  -29 o   73.732   0.9005  730.357   17.833  729.027   26.179  731.508   24.359   73.648   1.3234   73.778   1.2292 -0.1293564 1.806231 
1 1 1   12    6  -28 o  118.650   1.0403  1891.43   33.153  1908.19   46.988  1874.81   46.783  119.148   1.4683  118.101   1.4748 1.047455 2.081094 
1 1 1   12    6  -27 o  250.644   2.1642  8451.01  145.693  8415.06  187.663  8505.55  231.150  249.970   2.7951  251.134   3.4269 -1.163452 4.422212 
1 1 1   12    6  -26 o  171.966   1.4030  3973.88   64.802  3961.08   91.362  3986.83   91.930  171.636   1.9818  172.192   1.9877 -0.5564270 2.806873 
1 1 1   12    6  -25 o   62.457   0.8004  523.966   13.428  503.002   18.911  545.282   19.070   61.189   1.1507   63.710   1.1144 -2.520504 1.601856 
1 1 1   12    6  -24 o   52.225   0.6992  366.323   9.8083  368.955   12.531  362.160   15.759   52.410   0.8902   51.922   1.1300 0.4879341 1.438533 
1 1 1   12    6  -23 o   70.589   0.7860  669.261   14.903  654.694   18.372  697.294   25.485   69.814   0.9797   72.043   1.3171 -2.229370 1.641507 
1 1 1   12    6  -22 o  129.646   1.1067  2257.81   38.538  2267.44   50.379  2244.23   59.834  129.911   1.4438  129.233   1.7238 0.6779938 2.248560 
1 1 1   12    6  -21 o  114.514   1.0056  1761.41   30.928  1814.90   40.958  1690.43   47.178  116.232   1.3119  112.168   1.5659 4.064026 2.042888 
1 1 1   12    6  -20 o   63.555   0.8577  542.521   14.642  550.424   16.915  518.901   29.243   64.015   0.9838   62.144   1.7520 1.870998 2.009313 
1 1 1   12    6  -19 o  168.413   1.3729  3810.10   62.101  3788.01   87.471  3832.56   88.183  167.899   1.9396  168.883   1.9440 -0.9843445 2.746180 
1 1 1   12    6  -18 o   72.509   0.7902  706.122   15.389  687.339   20.632  729.670   23.102   71.535   1.0738   73.704   1.1670 -2.168793 1.585884 
1 1 1   12    6  -17 o  131.438   1.5672  2320.87   55.328  2264.53   66.838  2443.53   98.620  129.822   1.9168  134.822   2.7234 -4.999130 3.330342 
1 1 1   12    6  -16 o  137.815   1.2095  2551.14   44.770  2624.91   61.599  2468.54   65.181  139.782   1.6407  135.550   1.7903 4.231979 2.428393 
1 1 1   12    6  -15 o  260.559   2.0446  9122.21  143.086  9102.33  202.045  9142.21  202.665  260.208   2.8909  260.777   2.8935 -0.5692444 4.090172 
1 1 1   12    6  -14 o  197.142   1.5773  5220.96   83.518  5203.24  117.822  5238.84  118.405  196.778   2.2292  197.450   2.2327 -0.6718445 3.155029 
1 1 1   12    6  -13 o  121.746   1.0463  1990.80   34.214  1998.95   48.478  1982.71   48.293  121.987   1.4796  121.491   1.4800 0.4965439 2.092708 
1 1 1   12    6  -12 o  232.732   1.8373  7276.79  114.852  7220.89  161.585  7333.87  163.278  231.792   2.5954  233.597   2.6024 -1.805862 3.675397 
1 1 1   12    6  -11 o   46.493   0.8039  290.312   10.039  289.810   14.516  290.772   13.899   46.451   1.1635   46.528   1.1122 -0.7730103E-01 1.609534 
1 1 1   12    6  -10 o   13.920   1.0381   26.171   3.8532   23.059   4.9513   30.949   6.1358   13.023   1.4396   15.101   1.5341 -2.078116 2.103813 
1 1 1   12    6   -9 f  113.383   1.0341  1726.68   31.493  1707.73   46.480  1742.75   42.821  112.752   1.5348  113.904   1.3997 -1.152588 2.077181 
1 1 1   12    6   -8 o   92.147   0.9405  1140.43   23.278  1117.84   36.617  1155.76   30.156   91.223   1.4945   92.762   1.2103 -1.538109 1.923114 
1 1 1   12    6   -7 o  190.481   1.6721  4874.00   85.549  4906.74  135.694  4852.41  110.212  191.080   2.6440  190.041   2.1592 1.038864 3.413586 
1 1 1   12    6   -6 o   62.650   0.8061  527.141   13.565  524.467   20.149  529.357   18.345   62.488   1.2005   62.780   1.0880 -0.2913933 1.620168 
1 1 1   12    6   -5 o  157.392   1.5801  3327.66   66.799  3308.05   93.993  3347.67   94.950  156.908   2.2303  157.845   2.2396 -0.9363556 3.160689 
1 1 1   12    6   -4 o  233.981   2.1318  7355.65  133.973  7376.62  201.122  7338.92  179.627  234.249   3.1966  233.673   2.8620 0.5756836 4.290627 
1 1 1   12    6   -3 o   73.453   0.8213  724.625   16.203  733.974   25.684  718.444   20.883   73.922   1.2936   73.138   1.0631 0.7842789 1.674346 
1 1 1   12    6   -2 o  114.550   0.9965  1762.37   30.660  1772.48   43.501  1752.39   43.221  114.873   1.4099  114.220   1.4088 0.6530304 1.993140 
1 1 1   12    6   -1 o  130.355   1.1021  2282.29   38.588  2371.78   55.802  2200.29   53.418  132.879   1.5635  127.985   1.5540 4.893715 2.204396 
1 1 1   12    6    0 o   45.113   0.7706  273.336   9.3380  280.702   12.714  264.709   13.760   45.716   1.0354   44.394   1.1540 1.321934 1.550403 
1 1 1   12    6    1 o  171.323   1.7016  3942.90   78.301  4144.99  161.626  3880.92   89.506  175.584   3.4272  169.964   1.9607 5.620590 3.948370 
1 1 1   12    6    2 o  159.057   1.5033  3398.30   64.221  3497.99   98.083  3323.49   84.967  161.350   2.2632  157.283   2.0113 4.067642 3.027811 
1 1 1   12    6    3 o   99.180   0.9395  1321.14   25.028  1334.60   37.422  1310.25   33.664   99.679   1.3977   98.767   1.2690 0.9117508 1.887882 
1 1 1   12    6    4 o  506.389   4.0712 34494.19  553.737 34649.65  752.064 34310.13  818.330  507.178   5.5208  504.538   6.0387 2.640747 8.181993 
1 1 1   12    6    5 o  316.335   2.6948 13448.62  228.961 13423.80  323.643 13473.49  323.956  315.927   3.8141  316.511   3.8107 -0.5845337 5.391520 
1 1 1   12    6    6 o  184.762   1.8204  4585.95   90.338  4601.49  147.758  4576.68  114.159  185.026   2.9732  184.558   2.3030 0.4678040 3.760808 
1 1 1   12    6    7 o  186.475   1.8370  4671.39   92.006  4937.84  155.421  4527.64  114.158  191.665   3.0191  183.565   2.3154 8.099716 3.804724 
1 1 1   12    6    8 o  379.770   3.3940 19392.75  346.197 19641.33  604.964 19271.71  422.154  381.720   5.9006  378.467   4.1529 3.253143 7.215475 
1 1 1   12    6    9 f  127.680   1.2544  2189.68   43.019  2223.88   65.291  2163.44   57.188  128.659   1.8894  126.904   1.6778 1.755241 2.526813 
1 1 1   12    6   10 o  154.205   1.4662  3194.20   60.729  3035.28  101.993  3281.49   75.589  150.285   2.5268  156.288   1.8007 -6.003464 3.102749 
1 1 1   12    6   11 o   61.939   0.9132  515.268   15.193  530.290   28.164  509.102   18.043   62.829   1.6690   61.566   1.0911 1.262489 1.993986 
1 1 1   12    6   12 o  150.773   1.5271  3053.70   61.842  3117.04  102.035  3016.91   77.749  152.295   2.4944  149.850   1.9317 2.444824 3.154953 
1 1 1   12    6   13 o  102.207   1.1261  1403.10   30.915  1384.61   43.472  1422.02   43.973  101.524   1.5942  102.886   1.5912 -1.362503 2.252460 
1 1 1   12    6   14 o  246.936   2.0306  8193.06  134.679  8018.44  197.151  8345.85  184.416  244.219   3.0056  249.176   2.7555 -4.957672 4.077535 
1 1 1   12    6   15 o  139.058   1.3497  2597.46   50.411  2554.83   74.793  2632.95   68.240  137.892   2.0194  139.992   1.8149 -2.099228 2.715121 
1 1 1   12    6   16 o  263.926   2.1634  9360.28  153.358  9501.51  229.682  9246.67  206.005  265.812   3.2171  262.254   2.9246 3.558502 4.347732 
1 1 1   12    6   17 o  170.188   1.4491  3890.85   66.240  3854.32   97.688  3921.94   90.124  169.359   2.1475  170.846   1.9640 -1.487701 2.910191 
1 1 1   12    6   18 o   44.823   0.9351  269.846   11.257  272.139   21.417  268.971   13.233   45.006   1.7718   44.749   1.1010 0.2565384 2.085984 
1 1 1   12    6   19 o  292.521   2.5039 11502.57  196.731 11793.98  316.022 11318.17  251.382  295.986   3.9752  290.074   3.2265 5.911774 5.119781 
1 1 1   12    6   20 o  211.394   1.9474  6005.14  110.568  6087.67  149.711  5906.10  163.999  212.787   2.6195  209.562   2.9137 3.225662 3.918041 
1 1 1   12    6   21 o  139.786   1.3634  2625.04   51.190  2548.15   87.284  2665.36   63.200  137.677   2.3604  140.844   1.6707 -3.166702 2.891806 
1 1 1   12    6   22 o  181.247   1.8038  4414.57   87.812  4364.14  142.445  4445.49  111.523  180.112   2.9445  181.845   2.2833 -1.733597 3.726093 
1 1 1   12    6   23 o   69.106   0.8956  641.456   16.624  636.611   21.936  647.992   25.480   68.840   1.1864   69.449   1.3660 -0.6091003 1.809265 
1 1 1   12    6   24 o  126.637   1.3303  2154.62   45.247  2153.77   63.938  2155.47   64.039  126.584   1.8806  126.634   1.8828 -0.5004883E-01 2.661092 
1 1 1   12    6   25 o  134.002   1.1411  2412.36   41.072  2382.61   57.589  2443.15   58.592  133.149   1.6103  134.830   1.6179 -1.680756 2.282715 
1 1 1   12    6   26 o   97.334   0.9452  1272.65   24.711  1282.08   33.616  1261.57   36.447   97.682   1.2813   96.893   1.4005 0.7895355 1.898171 
1 1 1   12    6   27 o   62.597   0.9084  526.380   15.273  554.840   22.279  501.145   20.979   64.257   1.2909   61.069   1.2790 3.188042 1.817173 
1 1 1   12    6   28 o  120.593   1.0557  1953.91   34.194  1952.69   48.258  1955.14   48.458  120.528   1.4907  120.603   1.4960 -0.7530212E-01 2.111880 
1 1 1   12    6   29 o  113.094   1.0101  1718.51   30.682  1759.84   43.847  1678.84   42.950  114.420   1.4267  111.755   1.4309 2.664734 2.020646 
1 1 1   12    6   30 o   56.060   0.7406  422.172   11.152  417.209   15.658  427.282   15.888   55.721   1.0462   56.390   1.0490 -0.6685371 1.481517 
1 1 1   12    6   31 o   13.987   1.3445   26.544   4.9890   21.706   7.0370   31.434   7.0743   12.518   2.1718   15.183   1.7678 -2.665545 2.800302 
1 1 1   12    6   32 o  115.184   1.1174  1783.17   34.570  1800.96   49.148  1765.74   48.635  115.711   1.5814  114.575   1.5804 1.136780 2.235724 
1 1 1   12    6   33 o   62.103   0.7600  518.162   12.676  519.291   17.812  517.003   18.045   62.159   1.0669   62.021   1.0832 0.1378021 1.520390 
1 1 1   12    6   34 o   37.435   0.8142  188.287   8.1866  179.897   12.071  195.432   11.140   36.579   1.2286   38.131   1.0877 -1.551357 1.640933 
1 1 1   12    6   35 o  110.843   1.1637  1651.80   34.645  1699.70   52.252  1614.23   46.279  112.363   1.7314  109.525   1.5732 2.838005 2.339364 
1 1 1   12    6   36 o   39.277   0.8880  207.326   9.3678  201.725   11.325  219.465   16.672   38.736   1.0885   40.382   1.5371 -1.645702 1.883498 
1 1 1   12    6   37 o   58.596   0.8019  461.402   12.621  449.593   16.921  476.209   18.947   57.825   1.0895   59.505   1.1855 -1.680298 1.610074 
1 1 1   12    6   38 o   74.315   0.8485  742.318   16.936  753.258   23.023  729.417   25.000   74.835   1.1454   73.629   1.2642 1.206245 1.705904 
1 1 1   12    6   39 o   61.845   0.8636  514.161   14.345  495.811   17.922  546.876   23.930   60.712   1.0991   63.730   1.3980 -3.017933 1.778311 
1 1 1   12    6   40 o  131.430   1.2515  2325.26   44.178  2310.17   52.523  2361.74   81.680  130.939   1.4935  132.090   2.3023 -1.151215 2.744236 
1 1 1   12    6   41 o   66.215   0.9341  589.652   16.614  568.790   25.000  606.151   22.233   64.971   1.4326   67.099   1.2336 -2.128891 1.890585 
1 1 1   12    6   42 o   64.131   0.8995  553.116   15.495  558.978   21.154  546.330   22.760   64.431   1.2223   63.683   1.3306 0.7485199 1.806852 
1 1 1   12    6   43 o   38.787   0.8695  202.327   9.0586  217.538   13.507  189.893   12.212   40.189   1.2513   37.552   1.2108 2.636887 1.741193 
1 1 1   12    6   44 o   31.044   0.9134  129.640   7.6164  131.322   10.789  127.969   10.754   31.219   1.2866   30.817   1.2992 0.4021149 1.828478 
1 1 1   12    6   45 o   35.651   0.8716  170.967   8.3460  170.778   11.749  171.159   11.858   35.603   1.2287   35.641   1.2387 -0.3870010E-01 1.744680 
1 1 1   12    6   46 o   26.686   1.0238   95.874   7.3385  110.837   10.387   80.960   10.370   28.667   1.3490   24.430   1.5890 4.237341 2.084373 
1 1 1   12    6   47 o   76.288   0.8656  783.102   17.735  767.554   24.912  799.082   25.255   75.453   1.2293   76.989   1.2213 -1.535980 1.732824 
1 1 1   12    6   48 o   40.475   1.0135  220.647   11.018  233.053   16.159  209.868   15.062   41.535   1.4484   39.419   1.4226 2.116066 2.030251 
1 1 1   12    6   49 o   23.581   1.1645   74.981   7.3758   76.827   10.414   73.123   10.448   23.767   1.6413   23.176   1.6902 0.5917244 2.355991 
1 1 1   12    6   50 o   49.678   0.9030  332.266   12.048  325.224   17.012  339.353   17.066   49.085   1.2903   50.145   1.2671 -1.059502 1.808489 
1 1 1   12    6   51 o   25.516   1.3564   88.179   9.2622   82.456   11.079  101.458   16.878   24.614   1.6861   27.161   2.3364 -2.547028 2.881222 
1 1 1   12    6   52 o   45.937   0.9264  284.176   11.430  307.787   16.658  263.166   15.713   47.744   1.2990   44.143   1.3253 3.601181 1.855765 
1 1 1   12    6   53 o   15.231   2.1446   32.239   8.5304   28.197   12.167   36.148   11.963   13.962   3.2971   15.947   2.8999 -1.985286 4.390931 
1 1 1   12    6   54 o   43.114   0.9637  250.534   11.159  262.396   15.077  236.162   16.596   44.063   1.2739   41.757   1.4797 2.306496 1.952541 
1 1 1   12    6   55 o   20.933   1.6055   59.873   8.9579   55.971   12.657   63.788   12.680   20.023   2.4014   21.444   2.2343 -1.421434 3.280066 
1 1 1   12    6   56 o   39.463   1.2032  210.779   12.753  213.977   19.464  208.372   16.882   39.560   1.8318   39.119   1.6067 0.4412727 2.436602 
1 1 1   12    6   57 o   25.414   1.6080   88.490   10.920   86.611   14.254   91.160   16.988   24.949   2.1481   25.438   2.5196 -0.4885750 3.310992 
1 1 1   12    6   58 o   48.321   1.1291  316.533   14.655  336.808   22.108  300.641   19.573   49.577   1.6602   46.897   1.5539 2.679237 2.273973 
1 1 1   12    6   59 o   19.035   2.4672   51.903   12.317   55.786   19.398   49.279   15.944   18.898   3.9489   18.052   3.4135 0.8465061 5.219730 
1 1 1   12    7  -59 o   8.6337   3.7599   1.3999   16.337  -4.5320   24.246   6.3330   22.110   9.5698   4.3440   10.288   4.4269 -0.7179365 6.202215 
1 1 1   12    7  -58 o   7.6873   3.4188  -2.5471   14.183 -32.2900   26.461   9.4434   16.801   8.2010   3.9627   9.9427   4.0335 -1.741633 5.654393 
1 1 1   12    7  -57 o   14.843   3.1136   32.595   12.017   16.769   16.404   50.924   17.654   11.229   4.1336   18.348   3.7098 -7.119106 5.554195 
1 1 1   12    7  -56 o   40.378   1.6153  222.379   17.518  205.978   24.578  239.314   24.975   38.442   2.3922   41.534   2.2472 -3.091690 3.282157 
1 1 1   12    7  -55 o   28.708   1.3165  111.655   10.151  131.609   15.470   96.566   13.453   30.977   1.8680   26.507   1.9022 4.469837 2.666034 
1 1 1   12    7  -54 o   17.833   1.6360   43.553   7.7490   52.174   10.384   32.717   11.641   19.442   2.0179   15.083   2.9792 4.358529 3.598288 
1 1 1   12    7  -53 o   20.030   1.4539   54.587   7.7684   63.376   10.555   44.196   11.476   21.510   1.8447   17.780   2.4696 3.729950 3.082546 
1 1 1   12    7  -52 o   10.279   2.4848   15.054   6.7842   11.320   9.6552   18.695   9.5346   9.3544   3.1976   11.419   3.0508 -2.064371 4.419473 
1 1 1   12    7  -51 o   5.0689   2.2918  -3.5246   6.6692 -14.1652   10.549   3.5591   8.6075   5.3817   2.5748   7.2199   2.9017 -1.838195 3.879384 
1 1 1   12    7  -50 o   10.661   2.6610   16.208   7.5955   16.270   11.327   16.157   10.238   10.862   3.4526   10.739   3.2620 0.1231737 4.749875 
1 1 1   12    7  -49 o   15.348   1.8534   32.420   7.4857   31.147   10.284   33.855   10.917   14.851   2.6767   15.487   2.7239 -0.6356068 3.818958 
1 1 1   12    7  -48 o   58.534   0.8714  461.177   13.699  452.315   18.121  472.996   20.928   57.917   1.1649   59.193   1.3163 -1.276123 1.757734 
1 1 1   12    7  -47 o   23.395   1.0918   73.752   6.8606   74.055   9.5169   73.423   9.8990   23.358   1.5253   23.246   1.5951 0.1118755 2.207028 
1 1 1   12    7  -46 o   14.318   1.6037   28.052   6.0616   35.549   8.3646   19.760   8.7966   16.072   1.9795   11.781   2.8179 4.291176 3.443683 
1 1 1   12    7  -45 o   43.409   0.8520  253.489   9.9334  259.867   13.377  245.649   14.831   43.924   1.1339   42.686   1.2936 1.237656 1.720206 
1 1 1   12    7  -44 o   16.910   1.2963   38.765   5.8431   42.130   8.1280   35.166   8.4059   17.570   1.7455   15.992   2.0007 1.577440 2.655091 
1 1 1   12    7  -43 o   48.767   0.7818  319.771   10.240  328.935   14.502  310.656   14.462   49.432   1.0922   48.036   1.1209 1.396164 1.565051 
1 1 1   12    7  -42 o   71.660   0.9606  690.820   18.489  686.388   29.327  693.744   23.819   71.336   1.5306   71.771   1.2356 -0.4356384 1.967103 
1 1 1   12    7  -41 o   51.173   0.8037  352.078   11.047  336.605   14.670  372.349   16.790   50.012   1.0921   52.590   1.1887 -2.578209 1.614186 
1 1 1   12    7  -40 o   72.601   0.8252  708.641   16.092  721.364   24.715  699.278   21.201   73.196   1.2571   72.089   1.0950 1.106750 1.667143 
1 1 1   12    7  -39 o   31.143   0.8991  130.408   7.5207  125.649   12.003  133.483   9.6495   30.539   1.4634   31.496   1.1407 -0.9573364 1.855416 
1 1 1   12    7  -38 o   44.620   0.8047  267.604   9.6443  266.750   12.614  268.806   14.964   44.535   1.0545   44.693   1.2466 -0.1580544 1.632749 
1 1 1   12    7  -37 o   50.250   0.7792  339.341   10.517  348.434   14.097  327.928   15.793   50.905   1.0310   49.374   1.1909 1.530876 1.575187 
1 1 1   12    7  -36 o   82.243   0.9322  909.176   20.593  903.467   29.052  914.939   29.194   81.948   1.3199   82.466   1.3180 -0.5188522 1.865314 
1 1 1   12    7  -35 o   8.9586   1.9122   11.226   4.4611   8.5958   6.0014   14.475   6.6693   8.0181   2.5085   10.153   2.4694 -2.134515 3.520046 
1 1 1   12    7  -34 o   86.742   0.9411  1011.20   21.927  1016.54   28.342  1003.25   34.605   86.949   1.2136   86.352   1.4920 0.5970154 1.923276 
1 1 1   12    7  -33 o   64.859   0.8054  565.210   14.030  563.165   20.827  566.909   18.984   64.722   1.1981   64.943   1.0883 -0.2209244 1.618615 
1 1 1   12    7  -32 o   50.376   0.7615  340.950   10.303  336.465   15.327  344.648   13.917   50.031   1.1406   50.641   1.0232 -0.6092339 1.532253 
1 1 1   12    7  -31 f   72.077   1.0264  698.160   19.871  686.709   25.597  715.529   31.525   71.467   1.3335   72.932   1.6093 -1.465149 2.089988 
1 1 1   12    7  -30 o  174.077   1.7424  4076.85   81.466  4113.18  115.315  4040.65  115.106  174.695   2.4576  173.144   2.4751 1.551437 3.487993 
1 1 1   12    7  -29 o   76.433   0.9232  784.918   18.953  781.195   27.555  788.261   26.111   76.232   1.3458   76.580   1.2695 -0.3481216 1.850018 
1 1 1   12    7  -28 o   64.951   0.8073  566.715   14.084  539.684   21.331  587.605   18.753   63.369   1.2533   66.130   1.0558 -2.760757 1.638721 
1 1 1   12    7  -27 o  105.808   1.0027  1504.12   28.495  1461.51   41.696  1541.45   39.032  104.272   1.4888  107.094   1.3569 -2.822334 2.014409 
1 1 1   12    7  -26 o  183.883   1.6276  4545.40   80.387  4551.20   96.147  4531.92  146.530  183.961   1.9459  183.398   2.9747 0.5627747 3.554601 
1 1 1   12    7  -25 o  145.265   1.2150  2835.25   47.406  2828.23   61.775  2845.31   73.935  145.060   1.5855  145.472   1.8922 -0.4121704 2.468707 
1 1 1   12    7  -24 o   15.035   1.0065   30.503   4.0409   36.450   4.7117   13.964   7.8576   16.437   1.0731   10.045   2.8049 6.391614 3.003153 
1 1 1   12    7  -23 o   93.779   0.8464  1181.28   21.320  1200.69   29.088  1158.75   31.341   94.539   1.1455   92.870   1.2565 1.669228 1.700287 
1 1 1   12    7  -22 o  115.415   1.0146  1789.34   31.452  1747.61   43.797  1833.79   45.197  114.048   1.4298  116.826   1.4404 -2.777832 2.029503 
1 1 1   12    7  -21 o  156.331   1.2904  3283.28   54.184  3286.65   76.597  3279.91   76.660  156.384   1.8236  156.223   1.8270 0.1606903 2.581324 
1 1 1   12    7  -20 o   66.450   0.7383  593.051   13.176  608.282   18.743  578.169   18.527   67.294   1.0370   65.607   1.0514 1.687019 1.476750 
1 1 1   12    7  -19 o  181.210   1.4655  4411.56   71.330  4419.89  100.950  4403.25  100.801  181.346   2.0726  181.005   2.0734 0.3417358 2.931641 
1 1 1   12    7  -18 o  278.821   2.1822 10448.46  163.421 10337.82  229.432 10562.39  232.828  277.233   3.0812  280.226   3.0934 -2.993317 4.366098 
1 1 1   12    7  -17 o  119.216   1.0341  1909.00   33.112  1900.28   46.658  1917.85   47.000  118.934   1.4606  119.483   1.4645 -0.5486145 2.068371 
1 1 1   12    7  -16 o   52.589   0.9425  371.451   13.312  357.573   18.397  386.706   19.287   51.594   1.3276   53.654   1.3384 -2.060520 1.885103 
1 1 1   12    7  -15 o  200.354   1.7546  5393.14   94.419  5262.41  120.022  5605.42  152.941  197.883   2.2582  204.193   2.7886 -6.309647 3.588305 
1 1 1   12    7  -14 o  139.411   1.2210  2610.60   45.719  2614.19   61.910  2606.29   67.805  139.495   1.6524  139.279   1.8125 0.2159424 2.452660 
1 1 1   12    7  -13 o  196.348   1.5721  5179.08   82.910  5162.59  116.955  5195.73  117.551  196.005   2.2216  196.633   2.2258 -0.6279907 3.144742 
1 1 1   12    7  -12 o  199.662   1.6681  5355.52   89.453  5437.64  134.027  5289.55  120.124  201.145   2.4808  198.400   2.2542 2.744919 3.351993 
1 1 1   12    7  -11 o  197.187   1.5771  5223.35   83.526  5164.40  117.286  5284.00  118.980  196.042   2.2274  198.299   2.2339 -2.256729 3.154627 
1 1 1   12    7  -10 o  158.443   1.4213  3372.21   60.484  3326.76   77.491  3443.06   96.756  157.360   1.8334  160.070   2.2505 -2.710770 2.902786 
1 1 1   12    7   -9 o   88.290   1.1701  1047.02   27.747  1056.11   34.179  1029.44   47.521   88.669   1.4351   87.532   2.0213 1.136856 2.478959 
1 1 1   12    7   -8 o  177.387   1.4973  4226.86   71.340  4231.05   96.633  4221.85  105.763  177.456   2.0274  177.255   2.2215 0.2015076 3.007566 
1 1 1   12    7   -7 o  258.840   2.2247  9002.60  154.669  8972.16  199.154  9048.88  245.523  258.353   2.8700  259.394   3.5240 -1.040619 4.544857 
1 1 1   12    7   -6 f  131.650   1.1624  2327.94   41.103  2355.30   55.940  2295.84   60.595  132.413   1.5729  130.727   1.7258 1.685852 2.334991 
1 1 1   12    7   -5 o   99.216   1.2719  1322.21   33.893  1354.85   42.066  1261.82   57.223  100.428   1.5595   96.906   2.1985 3.522255 2.695468 
1 1 1   12    7   -4 o  141.796   1.1816  2700.56   45.002  2706.76   63.739  2694.40   63.545  141.947   1.6718  141.623   1.6705 0.3245392 2.363407 
1 1 1   12    7   -3 o  113.284   1.0347  1723.64   31.483  1713.43   46.656  1732.18   42.660  112.939   1.5380  113.558   1.3987 -0.6189117 2.078896 
1 1 1   12    7   -2 o  211.277   1.9391  5997.13  110.036  5953.92  164.382  6032.21  148.116  210.460   2.9080  211.859   2.6029 -1.398560 3.902778 
1 1 1   12    7   -1 o   93.739   1.0612  1180.19   26.717  1175.70   37.918  1184.62   37.651   93.554   1.5090   93.909   1.4927 -0.3543015 2.122575 
1 1 1   12    7    0 o  172.009   1.7083  3974.69   78.922  4001.39  158.516  3965.89   91.003  172.504   3.4212  171.810   1.9720 0.6939392 3.948898 
1 1 1   12    7    1 o  233.058   2.2532  7298.46  141.042  7517.63  287.075  7228.71  161.933  236.334   4.5225  231.921   2.5996 4.413101 5.216393 
1 1 1   12    7    2 o  224.678   1.9470  6782.09  117.494  6724.52  184.714  6821.22  152.271  223.653   3.0749  225.294   2.5164 -1.640839 3.973307 
1 1 1   12    7    3 o  213.695   1.8587  6135.00  106.681  6099.62  168.097  6158.87  138.044  213.017   2.9380  214.083   2.4007 -1.065842 3.794127 
1 1 1   12    7    4 o  292.871   2.5025 11527.04  196.852 11371.69  308.366 11633.88  255.741  290.740   3.9488  294.157   3.2369 -3.416168 5.105965 
1 1 1   12    7    5 o   46.717   0.8116  293.114   10.184  273.317   16.493  305.315   12.947   45.108   1.3613   47.678   1.0111 -2.569580 1.695662 
1 1 1   12    7    6 f  389.974   3.3032 20448.76  345.984 20351.31  545.291 20514.43  447.628  388.685   5.2232  390.438   4.2685 -1.753662 6.745515 
1 1 1   12    7    7 o   91.098   1.2035  1114.69   29.447  1063.48   50.144  1141.64   36.380   88.966   2.0985   92.189   1.4692 -3.223122 2.561686 
1 1 1   12    7    8 o  165.074   1.6502  3660.62   73.164  3732.28  120.972  3619.29   91.871  166.638   2.7028  164.124   2.0841 2.514038 3.413007 
1 1 1   12    7    9 o  203.010   1.6924  5536.56   92.283  5573.17  137.508  5506.56  124.477  203.639   2.5141  202.431   2.2894 1.207794 3.400269 
1 1 1   12    7   10 o   63.445   0.7487  540.612   12.758  562.129   19.211  523.632   17.065   64.693   1.1056   62.439   1.0176 2.253796 1.502590 
1 1 1   12    7   11 o  161.681   1.5275  3511.59   66.335  3533.77   89.427  3484.44   98.912  162.173   2.0531  161.027   2.2870 1.145752 3.073312 
1 1 1   12    7   12 o  302.815   2.7249 12325.83  221.622 12368.98  298.073 12272.48  331.414  303.233   3.6598  301.987   4.0859 1.246735 5.485320 
1 1 1   12    7   13 o   69.776   0.7804  653.894   14.626  638.065   21.453  667.639   19.991   68.923   1.1589   70.503   1.0557 -1.580162 1.567646 
1 1 1   12    7   14 o  205.046   1.7097  5648.50   94.161  5550.21  138.175  5733.72  128.662  203.208   2.5316  206.554   2.3191 -3.346008 3.433284 
1 1 1   12    7   15 o  175.230   1.4854  4124.85   69.909  4087.59  103.121  4156.55   95.097  174.404   2.2014  175.879   2.0131 -1.474640 2.983054 
1 1 1   12    7   16 o   83.729   0.8642  941.588   19.434  949.701   28.882  934.875   26.271   84.084   1.2789   83.426   1.1724 0.6573334 1.734961 
1 1 1   12    7   17 o   77.717   1.0333  811.276   21.569  771.322   32.221  843.714   29.033   75.771   1.5832   79.251   1.3639 -3.479919 2.089720 
1 1 1   12    7   18 o  145.103   1.3985  2828.48   54.502  2929.91   83.317  2752.60   72.059  147.652   2.1009  143.125   1.8745 4.526749 2.815556 
1 1 1   12    7   19 o   60.653   0.8086  494.110   13.173  501.636   18.561  486.472   18.698   61.110   1.1309   60.179   1.1568 0.9310951 1.617725 
1 1 1   12    7   20 o  142.883   1.5681  2743.04   60.181  2722.41   91.341  2758.87   79.999  142.300   2.3898  143.269   2.0789 -0.9689178 3.167535 
1 1 1   12    7   21 o  228.947   2.0963  7045.92  128.907  6976.47  171.734  7135.55  195.097  227.732   2.8076  230.264   3.1545 -2.531342 4.223000 
1 1 1   12    7   22 o   66.297   1.0141  590.410   18.058  628.569   24.366  543.910   26.897   68.400   1.3263   63.622   1.5740 4.778076 2.058291 
1 1 1   12    7   23 o  226.239   1.8770  6880.05  114.054  7028.13  171.492  6762.61  152.729  228.534   2.7938  224.215   2.5361 4.318787 3.773224 
1 1 1   12    7   24 o  287.768   2.3549 11138.99  182.016 10959.19  298.446 11245.46  229.675  285.039   3.8983  289.006   2.9588 -3.967682 4.893966 
1 1 1   12    7   25 o   71.733   0.8201  691.191   15.801  676.969   22.906  704.102   21.824   70.982   1.2014   72.393   1.1224 -1.410706 1.644166 
1 1 1   12    7   26 o   76.726   0.8799  790.807   18.133  806.936   25.744  774.928   25.544   77.493   1.2369   75.940   1.2524 1.552994 1.760175 
1 1 1   12    7   27 o   62.138   0.8155  518.682   13.611  509.234   18.954  528.742   19.558   61.561   1.1463   62.729   1.1608 -1.167614 1.631427 
1 1 1   12    7   28 o   24.658   0.8686   81.684   5.7530   83.400   7.9187   79.766   8.3722   24.912   1.1835   24.328   1.2858 0.5841961 1.747566 
1 1 1   12    7   29 o   70.038   0.8500  659.012   15.990  665.832   22.605  652.182   22.623   70.386   1.1957   69.660   1.2091 0.7258377 1.700504 
1 1 1   12    7   30 o  119.469   1.0529  1918.04   33.785  1936.57   47.928  1899.74   47.632  120.005   1.4870  118.858   1.4920 1.147186 2.106461 
1 1 1   12    7   31 f  121.230   1.1597  1975.43   37.762  1979.53   53.448  1971.34   53.358  121.303   1.6405  121.052   1.6411 0.2512970 2.320432 
1 1 1   12    7   32 o   26.611   0.9109   95.159   6.5105   79.822   9.4897  108.795   8.9485   24.318   1.4596   28.449   1.1711 -4.130735 1.871348 
1 1 1   12    7   33 o   56.185   0.8147  424.145   12.294  411.685   18.909  433.268   16.181   55.333   1.2723   56.776   1.0611 -1.442402 1.656700 
1 1 1   12    7   34 o   60.137   0.7788  485.925   12.579  466.043   17.958  505.074   17.625   58.878   1.1356   61.297   1.0705 -2.419559 1.560609 
1 1 1   12    7   35 o   63.441   0.7694  540.802   13.110  531.762   18.308  550.316   18.782   62.892   1.0838   63.979   1.0930 -1.087158 1.539249 
1 1 1   12    7   36 o   48.641   0.7571  317.925   9.8915  325.613   13.878  309.986   14.102   49.212   1.0499   48.015   1.0935 1.197754 1.515949 
1 1 1   12    7   37 o   13.272   1.6950   24.117   5.9042   25.854   7.4845   21.255   9.6070   13.683   2.1039   12.276   2.9503 1.407725 3.623635 
1 1 1   12    7   38 o   27.144   1.0287   99.087   7.4999   97.374   8.8118  103.587   14.286   26.901   1.2196   27.637   1.9368 -0.7365646 2.288782 
1 1 1   12    7   39 o   70.225   0.8847  663.057   16.687  658.596   21.533  669.765   26.404   69.961   1.1460   70.518   1.3940 -0.5577011 1.804584 
1 1 1   12    7   40 o   52.107   0.8623  365.069   12.069  382.602   15.529  338.334   19.177   53.324   1.0843   50.110   1.4248 3.214615 1.790465 
1 1 1   12    7   41 o   15.829   1.4228   34.039   5.9845   35.931   8.2840   31.975   8.6548   16.189   1.9440   15.216   2.1800 0.9731827 2.920846 
1 1 1   12    7   42 o   49.218   0.8215  325.726   10.859  331.797   14.770  318.583   16.021   49.649   1.1076   48.638   1.2264 1.011234 1.652494 
1 1 1   12    7   43 o   28.757   0.9714  111.266   7.5028  116.716   10.235  104.936   11.030   29.432   1.2948   27.854   1.4797 1.577749 1.966204 
1 1 1   12    7   44 o   28.235   1.0050  107.293   7.6215   98.244   11.058  115.481   10.519   26.936   1.5348   29.268   1.3381 -2.331713 2.036204 
1 1 1   12    7   45 o   29.898   0.9825  120.316   7.8898  118.622   11.509  121.818   10.837   29.648   1.4453   30.055   1.3424 -0.4067230 1.972536 
1 1 1   12    7   46 o   6.0784   2.5007   1.6423   6.5715  -1.5547   10.062   4.0202   8.6777   6.7742   2.9504   7.3647   2.9292 -0.5904899 4.157475 
1 1 1   12    7   47 o   68.378   0.9369  629.454   17.207  613.338   24.331  645.576   24.337   67.410   1.3439   69.167   1.3100 -1.757568 1.876717 
1 1 1   12    7   48 o   49.729   0.8411  332.808   11.234  339.309   15.793  326.148   15.984   50.162   1.1722   49.173   1.2102 0.9890862 1.684814 
1 1 1   12    7   49 o   18.306   1.5431   45.650   7.5160   42.976   9.8305   49.411   11.661   17.645   2.1164   18.882   2.3501 -1.236776 3.162638 
1 1 1   12    7   50 o   29.134   1.0835  114.418   8.4783  114.808   11.599  113.969   12.424   29.099   1.4890   28.970   1.6029 0.1286144 2.187819 
1 1 1   12    7   51 o   33.979   0.9746  155.532   8.8950  153.264   12.577  157.801   12.582   33.677   1.3904   34.175   1.3707 -0.4978104 1.952468 
1 1 1   12    7   52 o   58.153   0.9895  455.675   15.455  467.793   20.156  438.385   24.077   58.856   1.2751   56.893   1.5756 1.962822 2.026875 
1 1 1   12    7   53 o   42.267   0.9870  240.797   11.205  225.674   16.565  253.556   15.215   40.818   1.5109   43.312   1.3079 -2.494442 1.998363 
1 1 1   12    7   54 o   15.403   2.3337   33.289   9.3525   30.889   15.108   34.781   11.909   14.455   3.8300   15.570   2.9558 -1.114530 4.837908 
1 1 1   12    7   55 o   12.862   2.7538   23.880   9.2263   1.1529   14.291   40.122   12.081   8.3682   3.5788   16.761   2.7812 -8.392405 4.532437 
1 1 1   12    7   56 o   8.9517   3.2491   9.8991   10.084   15.814   12.502  -1.1105   17.057   10.686   3.6387   8.7098   3.8160 1.976253 5.272750 
1 1 1   12    7   57 o   8.1411   2.9925   7.9614   8.5927   5.5248   11.830   10.682   12.501   8.3555   3.3864   9.4976   3.5861 -1.142111 4.932339 
1 1 1   12    7   58 o   17.018   3.2932   43.426   14.509   33.180   17.990   62.490   24.539   14.436   4.3105   19.540   4.7271 -5.104014 6.397309 
1 1 1   12    7   59 o   11.310   3.6771   19.416   12.796   24.372   18.556   14.923   17.668   12.540   4.4243   10.826   4.2177 1.713609 6.112582 
1 1 1   12    8  -58 o   11.804   3.9253   21.213   14.552   8.2420   27.893   26.062   17.056   11.356   4.9290   12.877   4.2482 -1.521876 6.507088 
1 1 1   12    8  -57 o   7.2842   3.1560   0.0736   11.394  -1.1366   15.618   1.4506   16.659   8.2463   3.6312   8.8164   3.8180 -0.5701370 5.269029 
1 1 1   12    8  -56 o   36.165   1.6487  178.857   16.015  188.501   23.230  170.122   22.108   36.711   2.3685   34.865   2.3750 1.846325 3.354186 
1 1 1   12    8  -55 o   35.358   1.5824  170.311   15.028  170.891   23.299  169.897   19.665   34.972   2.4969   35.070   2.0973 -0.9792328E-01 3.260852 
1 1 1   12    8  -54 o   17.742   1.8990   43.475   8.9086   46.092   11.656   39.799   13.814   18.111   2.4598   16.553   3.2231 1.557829 4.054489 
1 1 1   12    8  -53 o   52.665   0.8936  373.714   12.640  369.192   17.039  379.247   18.848   52.272   1.2136   52.948   1.3253 -0.6760178 1.797045 
1 1 1   12    8  -52 o   15.025   1.7650   31.073   6.9873   26.146   9.5832   36.666   10.210   13.541   2.7292   16.182   2.4236 -2.641376 3.650030 
1 1 1   12    8  -51 o   27.407   1.3075  101.462   9.6250  127.777   18.593   91.829   11.250   30.494   2.2868   25.984   1.6199 4.509747 2.802434 
1 1 1   12    8  -50 o   15.747   1.5678   33.891   6.5429   38.754   9.2058   28.927   9.3010   16.744   2.0927   14.333   2.5073 2.410433 3.265909 
1 1 1   12    8  -49 o   5.2756   2.3360  -2.0577   6.5519  -3.1578   8.3343  -0.2779   10.601   5.8473   2.6092   7.1448   3.0696 -1.297499 4.028700 
1 1 1   12    8  -48 o   37.941   0.8635  193.778   8.7998  187.413   12.236  200.597   12.665   37.269   1.2223   38.558   1.2229 -1.288506 1.729057 
1 1 1   12    8  -47 o   48.188   0.8175  312.473   10.581  307.931   14.806  317.212   15.125   47.789   1.1535   48.503   1.1610 -0.7135811 1.636639 
1 1 1   12    8  -46 o   33.457   0.8957  150.661   8.0493  162.325   11.263  138.484   11.508   34.696   1.2086   32.032   1.3375 2.663639 1.802713 
1 1 1   12    8  -45 o   21.546   1.2168   62.776   7.0129   70.525   9.0864   51.359   11.029   22.804   1.4917   19.325   2.1618 3.478357 2.626546 
1 1 1   12    8  -44 o   49.032   0.7870  323.323   10.364  321.235   14.491  325.509   14.830   48.839   1.1047   49.160   1.1231 -0.3214188 1.575333 
1 1 1   12    8  -43 o   76.227   0.8422  781.525   17.243  772.343   24.139  791.093   24.640   75.722   1.1869   76.633   1.1971 -0.9116211 1.685742 
1 1 1   12    8  -42 o   60.553   0.8079  493.063   13.140  506.426   19.156  481.190   18.057   61.326   1.1630   59.783   1.1245 1.542263 1.617767 
1 1 1   12    8  -41 o   24.096   1.0483   78.135   6.7844   80.785   10.003   75.878   9.2328   24.425   1.5325   23.678   1.4589 0.7469654 2.115843 
1 1 1   12    8  -40 o   38.171   0.8212  195.911   8.4190  195.588   12.466  196.182   11.416   38.113   1.2177   38.179   1.1133 -0.6603241E-01 1.649927 
1 1 1   12    8  -39 o   30.382   0.9191  124.134   7.5005  117.126   12.028  128.592   9.5942   29.437   1.5266   30.910   1.1556 -1.473351 1.914663 
1 1 1   12    8  -38 o   62.645   0.7830  527.513   13.174  519.288   19.839  534.001   17.621   62.117   1.1891   63.007   1.0412 -0.8893738 1.580531 
1 1 1   12    8  -37 o   52.433   0.8457  369.557   11.910  380.614   14.763  348.944   20.156   53.199   1.0332   50.900   1.4744 2.299007 1.800333 
1 1 1   12    8  -36 o   85.739   0.8996  988.183   20.717  995.646   27.915  979.033   30.908   86.030   1.2081   85.291   1.3492 0.7388840 1.811043 
1 1 1   12    8  -35 o   43.336   1.0223  252.485   11.899  235.437   18.686  264.112   15.432   41.810   1.6640   44.308   1.2967 -2.498020 2.109587 
1 1 1   12    8  -34 o   95.001   0.9088  1212.98   23.190  1238.31   32.959  1188.15   32.634   95.952   1.2789   93.987   1.2927 1.964981 1.818411 
1 1 1   12    8  -33 o   76.748   0.9426  791.633   19.432  788.785   26.120  795.163   29.078   76.587   1.2698   76.884   1.4081 -0.2970963 1.896078 
1 1 1   12    8  -32 o   64.393   0.8053  557.125   13.927  562.755   20.684  552.455   18.838   64.698   1.1903   64.109   1.0940 0.5893707 1.616676 
1 1 1   12    8  -31 o   56.692   0.7326  431.791   11.156  436.326   15.634  427.087   15.923   56.979   1.0215   56.371   1.0517 0.6077576 1.466123 
1 1 1   12    8  -30 o   43.001   0.8655  248.445   9.9962  233.240   13.120  269.486   15.434   41.655   1.1726   44.771   1.2835 -3.115814 1.738495 
1 1 1   12    8  -29 o   72.646   0.8945  709.075   17.453  690.268   22.634  736.658   27.410   71.663   1.1759   74.020   1.3787 -2.357216 1.812078 
1 1 1   12    8  -28 o   44.543   0.7689  266.540   9.1989  263.475   11.023  273.570   16.695   44.283   0.9268   45.110   1.3779 -0.8273201 1.660566 
1 1 1   12    8  -27 o  107.008   1.0565  1538.63   30.365  1528.64   42.247  1549.30   43.673  106.632   1.4751  107.346   1.5147 -0.7148972 2.114299 
1 1 1   12    8  -26 o   62.788   0.7028  529.557   11.853  557.148   16.201  497.781   17.386   64.398   0.9367   60.867   1.0635 3.531017 1.417152 
1 1 1   12    8  -25 o   82.937   0.8990  924.052   20.025  910.445   25.778  944.761   31.802   82.315   1.1659   83.842   1.4122 -1.526466 1.831322 
1 1 1   12    8  -24 o   24.314   0.8049   79.408   5.2565   73.378   6.9507   87.463   8.0340   23.370   1.1073   25.514   1.1724 -2.143856 1.612641 
1 1 1   12    8  -23 o   91.082   0.9470  1114.43   23.167  1105.93   29.777  1127.46   36.876   90.726   1.2220   91.595   1.4989 -0.8685455 1.933893 
1 1 1   12    8  -22 o   73.068   0.7743  717.121   15.196  716.140   21.359  718.127   21.625   73.012   1.0892   73.113   1.1012 -0.1009521 1.548846 
1 1 1   12    8  -21 o   92.886   0.8790  1158.89   21.929  1187.03   31.263  1131.64   30.768   93.998   1.2383   91.778   1.2482 2.219910 1.758201 
1 1 1   12    8  -20 o   67.518   0.7837  612.301   14.212  603.654   20.802  619.869   19.462   67.034   1.1554   67.930   1.0667 -0.8958664 1.572474 
1 1 1   12    8  -19 o   73.021   0.8841  716.182   17.339  686.395   25.653  741.237   23.527   71.478   1.3362   74.282   1.1792 -2.803719 1.782118 
1 1 1   12    8  -18 o  173.829   1.4129  4059.49   65.966  4032.05   92.892  4087.39   93.693  173.207   1.9967  174.391   2.0003 -1.184235 2.826327 
1 1 1   12    8  -17 o  174.699   1.4186  4100.15   66.564  4143.37   94.696  4057.95   93.584  175.586   2.0079  173.766   2.0051 1.819244 2.837674 
1 1 1   12    8  -16 f  130.052   1.1076  2271.86   38.691  2282.47   54.803  2261.33   54.631  130.341   1.5654  129.736   1.5678 0.6050110 2.215517 
1 1 1   12    8  -15 o   49.807   0.8414  333.192   11.256  329.595   15.146  337.630   16.823   49.535   1.1384   50.134   1.2493 -0.5991478 1.690194 
1 1 1   12    8  -14 o  133.216   1.2336  2383.83   44.139  2380.95   62.282  2386.73   62.562  133.121   1.7419  133.282   1.7476 -0.1612549 2.467465 
1 1 1   12    8  -13 o  166.543   1.4882  3726.08   66.572  3616.50   84.388  3906.66  108.328  164.059   1.9151  170.490   2.3657 -6.431061 3.043663 
1 1 1   12    8  -12 o  159.948   1.4355  3436.69   61.668  3483.37   80.283  3369.51   96.312  161.015   1.8564  158.343   2.2646 2.671463 2.928228 
1 1 1   12    8  -11 o  123.219   1.1603  2039.35   38.401  2087.47   50.156  1971.19   59.697  124.656   1.4980  121.126   1.8349 3.530663 2.368770 
1 1 1   12    8  -10 o  166.240   1.4168  3712.31   63.263  3734.42   85.947  3686.18   93.458  166.716   1.9194  165.628   2.1008 1.088013 2.845622 
1 1 1   12    8   -9 o  363.032   3.2494 17722.73  316.836 17347.19  382.374 18545.40  565.943  359.048   3.9650  370.853   5.6817 -11.80560 6.928428 
1 1 1   12    8   -8 o  188.553   1.7505  4776.32   88.652  4895.46  110.274  4558.64  149.061  190.872   2.1510  184.137   3.0139 6.734268 3.702765 
1 1 1   12    8   -7 o  195.668   1.5664  5143.16   82.320  5108.62  115.911  5178.32  116.931  194.980   2.2133  196.306   2.2177 -1.325531 3.133200 
1 1 1   12    8   -6 o  159.713   1.3082  3426.36   56.120  3399.93   79.002  3453.27   79.733  159.080   1.8490  160.322   1.8516 -1.242905 2.616724 
1 1 1   12    8   -5 o   24.632   0.9194   81.490   6.0826   84.971   8.1067   77.006   9.2011   25.152   1.2000   23.900   1.4401 1.252117 1.874540 
1 1 1   12    8   -4 o   55.181   0.7832  408.953   11.608  428.177   17.655  394.314   15.406   56.461   1.1642   54.183   1.0586 2.277866 1.573529 
1 1 1   12    8   -3 o  228.801   1.8887  7033.30  116.067  6939.26  155.860  7150.38  173.907  227.226   2.5538  230.638   2.8073 -3.412216 3.795118 
1 1 1   12    8   -2 o  212.365   1.7632  6058.83  100.574  6082.33  149.555  6039.44  135.891  212.730   2.6175  211.993   2.3866 0.7368622 3.542161 
1 1 1   12    8   -1 o  306.194   2.6124 12600.96  214.849 12621.08  339.883 12587.57  277.273  306.254   4.1319  305.949   3.3742 0.3049011 5.334604 
1 1 1   12    8    0 o  111.894   0.9815  1681.62   29.497  1663.50   41.577  1699.98   41.855  111.284   1.3910  112.497   1.3852 -1.213821 1.963081 
1 1 1   12    8    1 o  124.012   1.0613  2065.59   35.351  2060.90   50.003  2070.27   49.985  123.863   1.5030  124.144   1.4991 -0.2812729 2.122796 
1 1 1   12    8    2 o  124.674   1.0655  2087.73   35.681  2097.66   50.649  2077.93   50.274  124.962   1.5090  124.373   1.5050 0.5890198 2.131234 
1 1 1   12    8    3 o  119.308   1.0760  1911.87   34.480  1932.71   51.543  1895.00   46.387  119.946   1.5999  118.773   1.4541 1.172890 2.161942 
1 1 1   12    8    4 o  119.776   1.0339  1926.88   33.260  1941.13   47.271  1912.90   46.806  120.210   1.4641  119.333   1.4603 0.8774261 2.067861 
1 1 1   12    8    5 o   30.936   0.7723  128.531   6.4173  137.056   8.3102  115.939   10.100   31.944   0.9686   29.379   1.2800 2.565022 1.605136 
1 1 1   12    8    6 o  188.507   1.6594  4773.75   84.019  4839.59  133.944  4731.04  107.883  189.755   2.6281  187.641   2.1406 2.113800 3.389534 
1 1 1   12    8    7 o   82.871   0.9893  922.390   22.020  899.233   30.787  946.641   31.506   81.819   1.4009   83.948   1.3973 -2.129143 1.978672 
1 1 1   12    8    8 o  263.291   2.2616  9315.58  159.935  9449.59  228.378  9186.61  224.048  265.093   3.2075  261.380   3.1914 3.713043 4.524682 
1 1 1   12    8    9 o   17.459   1.3389   41.184   6.2304   49.899   12.997   38.584   7.0992   19.092   2.6023   16.873   1.5851 2.218979 3.047074 
1 1 1   12    8   10 o  249.725   2.2688  8380.63  152.178  8386.76  204.552  8373.04  227.733  249.750   3.0493  249.509   3.3982 0.2406464 4.565768 
1 1 1   12    8   11 o  137.982   1.2130  2557.37   44.955  2559.47   66.697  2555.62   60.857  138.023   1.7991  137.924   1.6428 0.9892273E-01 2.436296 
1 1 1   12    8   12 o  274.830   2.2481 10150.61  165.945 10309.43  248.694 10023.14  222.798  276.855   3.3444  273.021   3.0383 3.834686 4.518415 
1 1 1   12    8   13 o  220.854   1.8311  6553.58  108.618  6477.59  159.982  6618.56  147.941  219.507   2.7135  221.901   2.4822 -2.394669 3.677567 
1 1 1   12    8   14 o  265.686   2.1773  9486.54  155.375  9533.88  231.196  9447.55  209.823  266.235   3.2331  265.062   2.9472 1.173279 4.374845 
1 1 1   12    8   15 o  132.232   1.2330  2348.76   43.792  2400.95   62.663  2298.95   61.225  133.677   1.7453  130.807   1.7426 2.870087 2.466321 
1 1 1   12    8   16 f  355.765   3.6157 17034.78  345.500 16946.54  525.690 17101.87  458.414  354.328   5.5237  356.172   4.7919 -1.843658 7.312563 
1 1 1   12    8   17 o   54.593   0.8877  400.317   13.017  385.216   18.235  416.008   18.588   53.550   1.2678   55.649   1.2436 -2.099380 1.775894 
1 1 1   12    8   18 o  178.054   1.5834  4259.65   75.724  4409.59  109.316  4121.33  104.994  181.116   2.2472  175.097   2.2325 6.018677 3.167628 
1 1 1   12    8   19 o  121.557   1.1048  1984.89   36.071  1989.91   53.486  1980.70   48.853  121.693   1.6364  121.416   1.4981 0.2766495 2.218536 
1 1 1   12    8   20 o   84.349   0.8753  955.640   19.831  945.581   29.297  964.146   26.941   83.895   1.3002   84.717   1.1840 -0.8223267 1.758474 
1 1 1   12    8   21 o   80.271   0.9970  865.532   21.495  894.317   35.099  848.257   27.190   81.578   1.6019   79.459   1.2740 2.119171 2.046734 
1 1 1   12    8   22 o  162.182   1.4626  3534.47   63.712  3539.62   90.118  3529.31   90.087  162.252   2.0679  162.016   2.0702 0.2366180 2.926090 
1 1 1   12    8   23 o   88.012   0.8961  1040.54   21.182  1054.67   31.499  1028.87   28.620   88.595   1.3237   87.509   1.2177 1.086578 1.798605 
1 1 1   12    8   24 o   75.843   0.8349  772.670   17.007  790.762   25.467  758.107   22.849   76.714   1.2360   75.117   1.1325 1.597496 1.676347 
1 1 1   12    8   25 o   46.709   1.0956  293.135   13.745  299.739   17.519  282.561   22.168   47.226   1.3812   45.840   1.8005 1.385273 2.269193 
1 1 1   12    8   26 o   27.939   0.9251  104.868   6.9422  110.850   10.799  100.654   9.0632   28.718   1.4000   27.368   1.2330 1.349905 1.865550 
1 1 1   12    8   27 o   28.287   0.8741  107.501   6.6414  103.515   9.4546  111.383   9.3312   27.752   1.2684   28.789   1.2068 -1.036600 1.750756 
1 1 1   12    8   28 o  140.081   1.1887  2637.31   44.723  2615.68   68.673  2653.24   58.935  139.430   1.8337  140.463   1.5621 -1.033463 2.408908 
1 1 1   12    8   29 o  149.070   1.2491  2987.14   50.013  3011.63   70.976  2963.00   70.485  149.608   1.7663  148.395   1.7684 1.213104 2.499410 
1 1 1   12    8   30 o   47.847   0.8159  307.589   10.486  302.641   15.551  311.714   14.200   47.448   1.2203   48.159   1.0978 -0.7105331 1.641373 
1 1 1   12    8   31 o  126.095   1.1997  2137.49   40.632  2145.79   64.018  2131.89   52.580  126.244   1.8880  125.886   1.5551 0.3583984 2.445963 
1 1 1   12    8   32 o   49.729   0.7579  332.253   10.123  345.783   14.649  319.887   14.006   50.720   1.0754   48.784   1.0689 1.935940 1.516222 
1 1 1   12    8   33 o   54.975   0.7413  406.058   10.946  396.259   15.104  416.898   15.885   54.295   1.0357   55.690   1.0620 -1.394749 1.483418 
1 1 1   12    8   34 o   49.177   0.7449  324.941   9.8387  323.254   13.581  326.804   14.273   49.037   1.0311   49.304   1.0778 -0.2662430 1.491613 
1 1 1   12    8   35 o   21.685   0.9887   63.218   5.7585   56.386   7.6882   71.949   8.6912   20.421   1.4103   23.080   1.4088 -2.658657 1.993415 
1 1 1   12    8   36 o   67.401   0.8286  610.592   15.001  617.653   20.129  601.771   22.496   67.769   1.1059   66.878   1.2524 0.8905563 1.670742 
1 1 1   12    8   37 o   65.841   0.9154  582.834   16.189  596.522   21.579  565.211   24.485   66.582   1.2066   64.789   1.4070 1.793678 1.853574 
1 1 1   12    8   38 o   45.922   0.9166  283.569   11.306  272.059   14.680  300.348   17.725   44.959   1.2157   47.222   1.3975 -2.262947 1.852269 
1 1 1   12    8   39 o   64.988   0.8320  567.828   14.522  567.575   17.862  568.321   24.942   64.954   1.0238   64.943   1.4299 0.1055145E-01 1.758654 
1 1 1   12    8   40 o   26.810   0.8939   96.663   6.4368  102.255   8.4812   89.065   9.8854   27.562   1.1457   25.665   1.4398 1.896328 1.840015 
1 1 1   12    8   41 o   16.143   1.4915   35.439   6.3938   20.705   9.5849   47.252   8.5824   12.081   2.9739   18.626   1.7355 -6.544898 3.443294 
1 1 1   12    8   42 o   22.698   1.1713   69.562   7.1167   60.006   10.568   77.491   9.6267   20.979   1.8960   23.920   1.5060 -2.941126 2.421345 
1 1 1   12    8   43 o   54.805   0.7989  403.915   11.760  379.075   16.207  431.541   17.092   53.056   1.1373   56.610   1.1241 -3.554447 1.599089 
1 1 1   12    8   44 o   11.256   2.0785   17.716   6.0520   24.325   8.2555   10.038   8.8983   13.169   2.4233   8.9284   3.0692 4.240390 3.910535 
1 1 1   12    8   45 o   60.132   0.8877  486.569   14.337  482.693   22.028  489.417   18.884   59.809   1.3713   60.264   1.1666 -0.4547081 1.800393 
1 1 1   12    8   46 o   26.013   1.2402   91.262   8.6647  101.171   13.050   83.450   11.587   27.268   1.7918   24.761   1.7537 2.506765 2.507169 
1 1 1   12    8   47 o   19.056   1.3950   49.308   7.0902   53.386   10.191   45.483   9.8704   19.733   1.9483   18.176   2.0581 1.556936 2.833976 
1 1 1   12    8   48 o   20.241   1.3809   55.604   7.4626   58.438   9.7145   51.525   11.656   20.686   1.7654   19.299   2.2936 1.386238 2.894344 
1 1 1   12    8   49 o   28.470   1.1203  109.291   8.5667  110.938   11.592  107.309   12.716   28.596   1.5147   28.088   1.6934 0.5085793 2.271993 
1 1 1   12    8   50 o   27.823   1.0750  104.357   8.0339  105.721   11.150  102.884   11.586   27.917   1.4924   27.523   1.5738 0.3936844 2.168888 
1 1 1   12    8   51 o   49.238   0.8689  326.417   11.491  314.871   16.019  338.655   16.493   48.296   1.2349   50.089   1.2259 -1.792694 1.740072 
1 1 1   12    8   52 o   18.920   1.4817   48.751   7.4695   55.950   10.345   40.911   10.796   20.184   1.9319   17.113   2.4161 3.071140 3.093477 
1 1 1   12    8   53 o   5.4525   2.5052  -5.8393   8.3898 -16.0183   13.682   0.2943   10.621   6.2786   2.9838   7.2147   3.0853 -0.9361320 4.292118 
1 1 1   12    8   54 o   50.267   1.0994  341.330   14.843  327.172   23.812  350.327   18.983   48.969   1.8105   50.836   1.3902 -1.867176 2.282661 
1 1 1   12    8   55 o   13.939   2.4104   27.653   8.6978   22.888   12.322   32.386   12.280   12.431   3.5270   14.855   3.1740 -2.423739 4.744935 
1 1 1   12    8   56 o   34.965   1.3503  166.200   12.682  163.289   20.872  167.903   15.966   34.206   2.2850   35.021   1.6974 -0.8151321 2.846429 
1 1 1   12    8   57 o   21.879   2.5328   68.254   14.609   66.684   17.926   71.360   25.207   21.244   3.2446   21.098   4.5798 0.1461105 5.612617 
1 1 1   12    8   58 o   17.894   2.7734   46.823   12.898   62.279   18.636   32.612   17.870   20.199   3.5653   14.212   4.3080 5.987436 5.592014 
1 1 1   12    9  -58 o   16.585   4.0722   44.512   18.006   56.350   28.448   36.600   23.258   17.568   5.4559   14.620   4.9630 2.948460 7.375571 
1 1 1   12    9  -57 o   12.344   3.7304   23.502   13.414   14.380   22.111   28.815   16.874   11.356   4.6197   13.482   4.2044 -2.126045 6.246516 
1 1 1   12    9  -56 o   13.102   3.4400   26.008   12.260   32.429   17.045   19.125   17.647   14.387   4.1693   11.734   4.2922 2.653089 5.983865 
1 1 1   12    9  -55 o   14.807   3.2525   32.518   12.582   36.353   17.820   28.705   17.766   15.323   4.2034   13.718   4.3200 1.605570 6.027486 
1 1 1   12    9  -54 o   28.929   1.5537  114.210   12.028  122.004   19.317  109.275   15.372   29.559   2.4553   28.131   2.0485 1.428894 3.197659 
1 1 1   12    9  -53 o   17.021   1.9700   40.114   8.8399   36.907   11.339   45.085   14.116   16.102   2.7185   17.709   3.0795 -1.607500 4.107731 
1 1 1   12    9  -52 o   29.199   1.1946  115.161   9.3686   99.337   15.417  124.426   11.796   26.862   2.1550   30.309   1.4491 -3.446606 2.596863 
1 1 1   12    9  -51 o   21.252   1.3129   61.265   7.4574   51.620   10.474   71.179   10.620   19.355   2.0459   22.830   1.7451 -3.475800 2.689064 
1 1 1   12    9  -50 o   22.094   1.2473   66.111   7.3714   59.733   10.081   73.440   10.806   20.896   1.8142   23.200   1.7470 -2.303621 2.518568 
1 1 1   12    9  -49 o   8.0027   2.6777   8.3421   6.7694   13.880   8.5868  -0.7515   11.003   9.9528   2.9794   7.1975   3.1099 2.755319 4.306774 
1 1 1   12    9  -48 o   35.271   0.9185  167.536   8.7015  170.314   12.148  164.610   12.470   35.517   1.2735   34.909   1.3299 0.6081886 1.841306 
1 1 1   12    9  -47 o   10.459   2.1847   15.453   5.9392   21.528   8.2562   8.9385   8.5502   12.310   2.5795   8.5285   3.0039 3.781987 3.959471 
1 1 1   12    9  -46 o   6.2940   2.3961   3.8288   5.6097   0.8018   7.7068   7.2399   8.1810   6.3239   2.6629   7.9971   2.9229 -1.673290 3.954051 
1 1 1   12    9  -45 o   14.782   1.5276   29.845   5.9774   27.526   7.9833   32.803   9.0174   14.064   2.1843   15.364   2.2520 -1.300633 3.137294 
1 1 1   12    9  -44 o   8.3627   2.4229   9.7322   5.7567   5.2713   7.2982   17.078   9.3656   7.2501   2.7394   10.984   3.0605 -3.733720 4.107487 
1 1 1   12    9  -43 o   43.699   0.7926  256.831   9.3031  250.229   12.774  264.290   13.576   43.104   1.1033   44.294   1.1411 -1.190125 1.587293 
1 1 1   12    9  -42 o   26.036   0.9352   91.205   6.5397   93.725   8.9708   88.346   9.5537   26.372   1.2665   25.557   1.3971 0.8150845 1.885672 
1 1 1   12    9  -41 o   23.605   1.0552   74.998   6.6900   76.331   9.7896   73.829   9.1637   23.734   1.5441   23.350   1.4686 0.3836784 2.130961 
1 1 1   12    9  -40 o   32.204   0.9305  139.513   8.0491  144.735   12.067  135.326   10.804   32.770   1.3709   31.695   1.2691 1.074923 1.868189 
1 1 1   12    9  -39 o   15.863   1.3477   34.149   5.6879   28.457   8.2488   39.308   7.8535   14.330   2.2146   16.973   1.7477 -2.643189 2.821101 
1 1 1   12    9  -38 o   49.361   0.7754  327.541   10.280  327.113   15.235  327.900   13.928   49.299   1.1506   49.367   1.0504 -0.6830978E-01 1.557976 
1 1 1   12    9  -37 o   74.174   0.8243  739.621   16.422  731.287   24.736  746.189   21.959   73.705   1.2495   74.472   1.0978 -0.7673264 1.663263 
1 1 1   12    9  -36 o   35.619   0.8526  170.549   8.1563  178.758   10.061  154.816   13.930   36.458   1.0275   33.899   1.5299 2.558849 1.842918 
1 1 1   12    9  -35 o   64.188   0.8048  553.752   13.875  565.482   18.616  539.093   20.810   64.845   1.0689   63.301   1.2240 1.544666 1.624990 
1 1 1   12    9  -34 o   31.252   0.9306  131.287   7.8117  145.932   12.858  122.720   9.8347   32.927   1.4539   30.206   1.2122 2.721670 1.892969 
1 1 1   12    9  -33 o   51.663   0.7781  358.653   10.797  363.206   15.859  354.718   14.741   51.973   1.1360   51.366   1.0685 0.6072311 1.559569 
1 1 1   12    9  -32 o   31.837   0.9042  136.217   7.7323  131.516   10.306  142.271   11.695   31.273   1.2270   32.523   1.3388 -1.249619 1.816018 
1 1 1   12    9  -31 o   64.414   0.7508  557.461   12.990  570.347   16.872  538.709   20.354   65.145   0.9643   63.299   1.1972 1.845253 1.537252 
1 1 1   12    9  -30 o   39.316   0.7120  207.663   7.5189  204.950   9.4394  212.374   12.437   39.054   0.8999   39.747   1.1649 -0.6930275 1.472041 
1 1 1   12    9  -29 o   28.211   0.8783  106.938   6.6547  102.511   8.3309  114.742   11.062   27.616   1.1231   29.210   1.4099 -1.593868 1.802597 
1 1 1   12    9  -28 o  118.572   1.2020  1889.85   38.280  1937.61   51.577  1831.27   57.118  120.019   1.6000  116.650   1.8230 3.368370 2.425579 
1 1 1   12    9  -27 o   70.939   0.8479  676.103   16.156  684.990   22.392  666.453   23.333   71.390   1.1678   70.414   1.2337 0.9758530 1.698759 
1 1 1   12    9  -26 o   61.054   0.9512  500.839   15.599  491.492   19.880  515.809   25.160   60.472   1.2240   61.937   1.5124 -1.465019 1.945638 
1 1 1   12    9  -25 o   45.588   0.8606  279.203   10.538  267.883   12.830  302.663   18.471   44.650   1.0699   47.450   1.4493 -2.799374 1.801419 
1 1 1   12    9  -24 o  130.864   1.2233  2301.31   42.997  2303.23   55.606  2298.44   67.806  130.891   1.5817  130.720   1.9312 0.1701355 2.496284 
1 1 1   12    9  -23 o  101.299   0.9294  1378.52   25.288  1360.50   35.393  1397.31   36.142  100.618   1.3096  101.970   1.3196 -1.351807 1.859184 
1 1 1   12    9  -22 o  125.246   1.0799  2107.47   36.327  2085.10   50.974  2130.56   51.783  124.555   1.5237  125.905   1.5313 -1.350037 2.160196 
1 1 1   12    9  -21 o   47.955   0.6974  308.888   8.9826  297.777   12.417  321.086   13.010   47.082   0.9819   48.889   0.9908 -1.807880 1.394923 
1 1 1   12    9  -20 o  119.762   1.0433  1926.79   33.559  1886.35   46.808  1969.56   48.138  118.482   1.4709  121.066   1.4804 -2.584572 2.086863 
1 1 1   12    9  -19 o   37.361   0.7210  187.484   7.2353  190.965   10.012  183.679   10.468   37.704   0.9886   36.978   1.0540 0.7269592 1.445084 
1 1 1   12    9  -18 o   32.406   0.7318  141.052   6.3697  129.999   8.7066  153.780   9.3431   31.109   1.0420   33.835   1.0281 -2.726116 1.463821 
1 1 1   12    9  -17 o   55.165   0.8116  408.742   12.025  381.525   15.692  447.462   18.716   53.294   1.0963   57.714   1.2074 -4.420250 1.630817 
1 1 1   12    9  -16 o  245.095   1.9329  8073.29  127.243  7904.17  177.305  8252.89  182.715  242.426   2.7230  247.713   2.7462 -5.286926 3.867372 
1 1 1   12    9  -15 o   21.291   0.9205   60.887   5.2637   57.399   6.6041   66.962   8.7159   20.636   1.1966   22.277   1.4648 -1.640730 1.891469 
1 1 1   12    9  -14 o   52.816   0.8044  374.660   11.411  376.501   16.519  372.981   15.781   52.942   1.1617   52.694   1.1150 0.2475662 1.610235 
1 1 1   12    9  -13 o   89.774   0.9364  1082.50   22.580  1072.47   31.521  1093.07   32.362   89.351   1.3134   90.205   1.3357 -0.8539352 1.873277 
1 1 1   12    9  -12 o   76.148   0.8165  778.788   16.700  764.518   22.341  796.862   25.143   75.443   1.1025   77.021   1.2154 -1.577713 1.640945 
1 1 1   12    9  -11 o  100.285   1.0036  1350.84   27.032  1342.28   34.673  1364.10   43.167   99.962   1.2914  100.765   1.5950 -0.8026733 2.052230 
1 1 1   12    9  -10 o  148.916   1.3524  2978.93   54.094  2901.97   68.779  3103.73   87.586  146.967   1.7424  151.973   2.1457 -5.005844 2.764078 
1 1 1   12    9   -9 o  136.898   1.2617  2517.41   46.392  2493.47   59.602  2554.20   73.897  136.235   1.6288  137.871   1.9955 -1.636124 2.575906 
1 1 1   12    9   -8 o   28.382   0.8462  108.193   6.4506   99.806   7.9006  124.964   11.172   27.259   1.0791   30.500   1.3637 -3.241232 1.739029 
1 1 1   12    9   -7 o  143.598   1.6876  2770.29   65.088  2817.87   80.660  2681.48  110.200  144.811   2.0738  141.224   2.9052 3.587601 3.569453 
1 1 1   12    9   -6 o  168.459   1.4316  3812.16   64.776  3852.23   88.322  3765.51   95.290  169.323   1.9420  167.398   2.1194 1.924866 2.874587 
1 1 1   12    9   -5 o   42.101   0.6716  238.056   7.5940  249.161   10.974  227.854   10.519   43.071   0.9487   41.188   0.9509 1.882744 1.343161 
1 1 1   12    9   -4 o  100.044   0.9977  1344.32   26.809  1348.88   42.732  1341.37   34.428  100.204   1.5877   99.930   1.2827 0.2733612 2.041114 
1 1 1   12    9   -3 o   39.648   0.7469  211.123   7.9535  202.716   13.119  216.009   10.001   38.848   1.2573   40.103   0.9285 -1.255310 1.562983 
1 1 1   12    9   -2 o  181.891   1.5327  4444.43   74.881  4447.50  111.244  4441.88  101.254  181.921   2.2767  181.816   2.0734 0.1047363 3.079347 
1 1 1   12    9   -1 o   95.697   0.8837  1230.00   22.714  1226.06   32.182  1233.91   32.063   95.539   1.2541   95.845   1.2455 -0.3058014 1.767502 
1 1 1   12    9    0 o  205.969   1.6417  5699.23   90.820  5669.19  128.081  5729.62  128.799  205.390   2.3217  206.482   2.3224 -1.091736 3.283916 
1 1 1   12    9    1 o   71.040   0.7811  677.798   14.903  673.555   22.210  681.274   20.101   70.814   1.1677   71.220   1.0508 -0.4058380 1.570889 
1 1 1   12    9    2 o  153.221   1.2634  3153.47   51.994  3218.22   74.437  3091.77   72.657  154.770   1.7907  151.699   1.7832 3.070633 2.527101 
1 1 1   12    9    3 o  108.297   0.9613  1575.23   27.963  1580.59   39.690  1569.94   39.402  108.474   1.3623  108.108   1.3570 0.3660889 1.922791 
1 1 1   12    9    4 o   61.077   0.7826  501.015   12.838  508.071   18.504  494.466   17.827   61.503   1.1202   60.674   1.0939 0.8288612 1.565718 
1 1 1   12    9    5 o  161.422   1.3214  3500.16   57.292  3491.60   80.945  3508.75   81.102  161.206   1.8695  161.601   1.8685 -0.3952484 2.643144 
1 1 1   12    9    6 o   98.575   0.9864  1305.12   26.117  1309.99   37.162  1300.36   36.711   98.752   1.4011   98.389   1.3892 0.3634567 1.973038 
1 1 1   12    9    7 o   84.781   0.9532  965.416   21.706  959.386   32.711  970.161   29.015   84.509   1.4411   84.985   1.2711 -0.4759216 1.921597 
1 1 1   12    9    8 o   52.548   0.7270  370.855   10.260  376.592   15.410  366.288   13.751   52.950   1.0836   52.222   0.9804 0.7286949 1.461249 
1 1 1   12    9    9 o  104.101   1.3221  1455.72   36.966  1486.23   53.008  1426.83   51.576  105.173   1.8765  103.050   1.8634 2.122841 2.644531 
1 1 1   12    9   10 o  214.312   2.0881  6172.06  120.197  6097.36  194.716  6218.06  152.780  212.898   3.4052  215.067   2.6449 -2.169067 4.311660 
1 1 1   12    9   11 o  174.593   1.7374  4095.57   81.474  4091.84  103.035  4101.80  133.097  174.490   2.1985  174.659   2.8372 -0.1696320 3.589256 
1 1 1   12    9   12 o  130.630   1.3635  2292.30   47.839  2238.15   59.750  2389.01   79.848  129.066   1.7236  133.324   2.2298 -4.258072 2.818278 
1 1 1   12    9   13 o  134.323   1.3158  2423.74   47.470  2346.04   69.869  2490.36   64.694  132.129   1.9688  136.141   1.7692 -4.011932 2.646925 
1 1 1   12    9   14 o  133.471   1.3850  2393.19   49.652  2446.10   71.098  2342.83   69.372  134.915   1.9620  132.036   1.9561 2.878464 2.770559 
1 1 1   12    9   15 o  133.426   1.3092  2391.57   46.916  2397.98   81.148  2388.35   57.501  133.563   2.2621  133.326   1.6057 0.2370300 2.774019 
1 1 1   12    9   16 o  228.346   1.8906  7007.36  115.951  7164.73  174.359  6882.58  155.258  230.796   2.8127  226.237   2.5550 4.559082 3.799938 
1 1 1   12    9   17 o  247.433   2.0380  8229.26  135.441  8273.53  201.564  8192.82  182.882  247.966   3.0264  246.794   2.7589 1.171890 4.095249 
1 1 1   12    9   18 o   37.790   0.7688  191.807   7.8035  186.656   11.167  196.723   10.909   37.276   1.1154   38.268   1.0613 -0.9925117 1.539650 
1 1 1   12    9   19 o  160.901   1.3841  3478.46   59.817  3414.37   87.711  3534.19   81.786  159.366   2.0491  162.152   1.8779 -2.785965 2.779441 
1 1 1   12    9   20 o  217.947   1.8127  6384.92  106.114  6386.56  157.361  6383.55  143.703  217.858   2.6893  217.842   2.4560 0.1554871E-01 3.642001 
1 1 1   12    9   21 o   81.595   0.9545  894.347   20.917  930.456   31.934  867.212   27.683   83.211   1.4288   80.338   1.2829 2.872932 1.920257 
1 1 1   12    9   22 o   37.915   0.8083  193.096   8.2316  180.927   11.358  206.559   11.947   36.696   1.1523   39.210   1.1344 -2.513607 1.617022 
1 1 1   12    9   23 o  107.940   1.0652  1565.37   30.883  1530.83   43.106  1601.79   44.268  106.720   1.5038  109.165   1.5098 -2.444763 2.130929 
1 1 1   12    9   24 o   41.724   0.8254  233.860   9.2499  233.920   12.493  233.787   13.761   41.724   1.1148   41.710   1.2283 0.1418304E-01 1.658784 
1 1 1   12    9   25 o  125.889   1.0894  2129.51   36.835  2156.40   52.324  2103.09   51.863  126.646   1.5382  125.070   1.5439 1.575722 2.179379 
1 1 1   12    9   26 o   43.526   0.7969  254.507   9.3158  258.056   13.161  250.942   13.188   43.821   1.1182   43.212   1.1363 0.6087303 1.594198 
1 1 1   12    9   27 o   49.790   0.7616  333.032   10.185  333.566   15.003  332.576   13.872   49.820   1.1212   49.748   1.0382 0.7139969E-01 1.528033 
1 1 1   12    9   28 o   61.927   0.8410  515.249   13.988  520.640   22.538  511.872   17.841   62.228   1.3484   61.715   1.0763 0.5132179 1.725310 
1 1 1   12    9   29 o   42.901   0.9533  247.329   10.985  279.900   26.073  240.299   12.113   45.582   2.1297   42.284   1.0665 3.298042 2.381802 
1 1 1   12    9   30 o   61.439   0.7659  507.155   12.639  506.503   19.199  507.654   16.791   61.382   1.1645   61.459   1.0172 -0.7700348E-01 1.546194 
1 1 1   12    9   31 o   86.732   0.8613  1010.82   20.065  1018.28   28.274  1003.25   28.479   87.026   1.2096   86.380   1.2275 0.6461105 1.723318 
1 1 1   12    9   32 o   62.509   0.7959  525.029   13.363  528.232   17.927  521.026   20.045   62.686   1.0648   62.248   1.1989 0.4371719 1.603493 
1 1 1   12    9   33 o   36.464   0.7708  178.660   7.5489  187.193   10.393  169.133   10.983   37.316   1.0370   35.466   1.1529 1.850060 1.550673 
1 1 1   12    9   34 o   53.729   0.7904  387.950   11.406  403.800   15.261  367.891   17.169   54.803   1.0368   52.298   1.2223 2.505146 1.602791 
1 1 1   12    9   35 o   27.766   0.8879  103.630   6.6216   97.918   8.5774  112.054   10.417   26.980   1.1837   28.854   1.3441 -1.874792 1.791023 
1 1 1   12    9   36 o   36.834   1.1114  182.510   10.996  170.637   17.484  190.279   14.143   35.517   1.8391   37.591   1.4007 -2.074265 2.311765 
1 1 1   12    9   37 o   18.529   1.0846   46.347   5.3741   52.795   6.6734   34.452   9.0647   19.763   1.2638   15.811   2.1936 3.951695 2.531568 
1 1 1   12    9   38 o   31.901   0.8084  136.820   6.9271  133.750   8.7518  141.971   11.334   31.530   1.0334   32.468   1.2997 -0.9377174 1.660484 
1 1 1   12    9   39 o   11.974   1.5677   19.665   4.9207   15.935   6.1112   26.542   8.2979   10.653   2.2083   13.809   2.3195 -3.155801 3.202621 
1 1 1   12    9   40 o   65.450   0.8814  576.142   15.495  564.838   20.816  590.186   23.203   64.764   1.1967   66.184   1.3053 -1.420082 1.770796 
1 1 1   12    9   41 o   37.556   0.9392  189.751   9.4739  189.998   12.905  189.464   13.952   37.551   1.2795   37.488   1.3857 0.6352997E-01 1.886076 
1 1 1   12    9   42 o   45.694   0.7957  280.792   9.7658  282.181   13.601  279.312   14.031   45.778   1.1062   45.540   1.1471 0.2378387 1.593546 
1 1 1   12    9   43 o   17.298   1.5916   40.755   7.3117   27.400   12.628   47.491   8.9679   13.829   3.4190   18.647   1.8135 -4.818059 3.870209 
1 1 1   12    9   44 o   42.122   0.8918  238.758   10.090  235.593   15.045  241.346   13.602   41.789   1.3404   42.315   1.1968 -0.5266533 1.796921 
1 1 1   12    9   45 o   60.903   0.8660  499.176   14.165  506.587   19.056  490.023   21.177   61.303   1.1573   60.261   1.3084 1.041916 1.746801 
1 1 1   12    9   46 o   22.751   1.2687   70.065   7.7220   72.012   9.7768   66.837   12.590   23.015   1.5914   22.054   2.1529 0.9605465 2.677246 
1 1 1   12    9   47 o   25.151   1.1248   85.295   7.5983   88.257   10.098   81.430   11.536   25.504   1.4806   24.440   1.7693 1.064116 2.307039 
1 1 1   12    9   48 o   12.829   2.0128   22.914   6.7073   13.599   9.2333   33.322   9.7598   9.9299   3.1123   15.425   2.4366 -5.495114 3.952654 
1 1 1   12    9   49 o   11.374   2.3332   18.310   6.8888   25.740   9.9565   11.486   9.5412   13.423   2.8497   9.3844   3.1788 4.038775 4.269147 
1 1 1   12    9   50 o   44.884   0.8860  271.273   10.681  274.400   15.070  268.116   15.142   45.083   1.2446   44.560   1.2652 0.5231133 1.774691 
1 1 1   12    9   51 o   19.766   1.3898   53.095   7.3316   49.285   9.9980   57.528   10.783   18.918   1.9978   20.457   1.9876 -1.538830 2.818172 
1 1 1   12    9   52 o   45.589   1.0048  280.265   12.303  283.565   17.102  276.725   17.713   45.771   1.3911   45.198   1.4591 0.5731239 2.015953 
1 1 1   12    9   53 o   42.273   1.2515  241.757   14.210  251.110   20.826  233.609   19.439   42.914   1.8068   41.412   1.7476 1.502335 2.513741 
1 1 1   12    9   54 o   15.341   2.1824   33.028   8.7386   37.308   12.368   28.762   12.349   16.054   2.9779   13.950   3.3401 2.104656 4.474783 
1 1 1   12    9   55 o   10.722   3.1547   16.808   9.6929   26.193   14.769   9.7065   12.847   13.161   3.9001   9.3949   3.6142 3.765718 5.317230 
1 1 1   12    9   56 o   22.835   2.0617   72.801   12.509   31.583   17.912  112.030   17.475   14.180   4.3164   28.227   2.3257 -14.04651 4.903021 
1 1 1   12    9   57 o   14.375   3.2850   31.377   12.406   19.690   17.349   43.607   17.748   11.688   4.2588   16.595   4.0235 -4.906618 5.858809 
1 1 1   12    9   58 o   34.381   1.8994  164.970   17.472  221.600   33.597  143.978   20.455   38.487   3.2814   31.744   2.4173 6.743507 4.075647 
1 1 1   12   10  -57 f   14.311   3.7084   32.325   14.371   43.380   25.366   27.100   17.440   15.721   5.1805   12.998   4.2961 2.723604 6.730075 
1 1 1   12   10  -56 o   19.252   2.5613   53.309   12.916   22.340   17.912   86.852   18.641   12.236   4.3437   24.436   2.8965 -12.19981 5.220871 
1 1 1   12   10  -55 o   18.848   3.4360   53.067   16.754   67.080   24.081   39.920   23.324   20.580   4.4833   15.676   4.9513 4.903974 6.679468 
1 1 1   12   10  -54 f   36.545   1.6966  182.633   16.653  156.384   23.035  211.374   24.104   33.333   2.5933   38.955   2.3141 -5.622097 3.475682 
1 1 1   12   10  -53 f   18.231   2.1765   46.372   10.447   50.253   16.998   44.016   13.243   18.464   3.5567   17.502   2.9200 0.9618664 4.601777 
1 1 1   12   10  -52 f   6.5770   2.7186   1.9957   7.8147   9.1053   9.8086 -10.3599   12.931   8.7694   3.2012   6.5582   3.0473 2.211223 4.419672 
1 1 1   12   10  -51 o   18.278   1.4402   45.519   7.0135   53.564   9.5875   36.257   10.287   19.757   1.8274   16.064   2.4627 3.693624 3.066663 
1 1 1   12   10  -50 o   13.981   2.1533   27.288   7.8268   19.631   10.492   36.898   11.753   11.683   3.2335   16.127   2.8159 -4.443186 4.287762 
1 1 1   12   10  -49 o   45.140   0.9105  274.433   11.039  263.915   14.414  289.353   17.168   44.217   1.2137   46.264   1.3816 -2.046940 1.838965 
1 1 1   12   10  -48 o   23.074   1.1221   71.812   6.9544   74.804   9.5417   68.421   10.157   23.460   1.5225   22.398   1.7011 1.061596 2.282902 
1 1 1   12   10  -47 o   20.550   1.2349   57.209   6.7843   54.053   9.2122   60.950   10.029   19.887   1.7422   21.118   1.7848 -1.230772 2.494177 
1 1 1   12   10  -46 o   41.581   0.8335  232.714   9.3086  228.972   12.787  236.932   13.577   41.202   1.1555   41.904   1.2063 -0.7019272 1.670416 
1 1 1   12   10  -45 o   13.102   1.6989   23.635   5.8377   15.519   7.8229   33.834   8.7696   10.441   2.7509   15.623   2.1466 -5.181254 3.489383 
1 1 1   12   10  -44 o   16.050   1.4243   35.064   6.0765   29.667   7.9388   42.699   9.4422   14.633   2.0782   17.615   2.0330 -2.982036 2.907262 
1 1 1   12   10  -43 o   40.517   0.8595  220.879   9.3536  224.557   12.226  215.687   14.526   40.826   1.1149   39.981   1.3527 0.8446617 1.752932 
1 1 1   12   10  -42 o   44.886   0.7898  270.973   9.5221  296.104   13.372  245.116   13.563   46.893   1.0616   42.651   1.1840 4.241829 1.590228 
1 1 1   12   10  -41 o   39.153   0.7983  206.156   8.3946  212.807   11.635  198.933   12.124   39.755   1.0896   38.429   1.1746 1.325886 1.602161 
1 1 1   12   10  -40 o   17.692   1.3913   42.463   6.5580   49.879   10.312   37.427   8.4978   19.084   2.0437   16.517   1.9534 2.566910 2.827051 
1 1 1   12   10  -39 o   53.443   0.8621  384.132   12.374  382.064   18.603  385.773   16.572   53.250   1.3007   53.527   1.1527 -0.2768517 1.737982 
1 1 1   12   10  -38 o   38.842   0.7707  202.835   8.0404  207.257   11.035  197.832   11.739   39.245   1.0469   38.335   1.1401 0.9099007 1.547852 
1 1 1   12   10  -37 o   33.827   0.8203  153.849   7.4530  152.730   10.632  154.930   10.450   33.683   1.1752   33.927   1.1468 -0.2436142 1.642043 
1 1 1   12   10  -36 o   54.881   0.7702  404.868   11.353  386.961   16.682  420.314   15.494   53.622   1.1583   55.898   1.0320 -2.275238 1.551302 
1 1 1   12   10  -35 o   35.829   0.8526  172.577   8.2045  173.486   9.9561  170.654   14.483   35.915   1.0321   35.590   1.5151 0.3250809 1.833251 
1 1 1   12   10  -34 f   4.1849   1.8699  -1.8609   4.2962  -4.8506   5.1188   5.2650   7.9026   4.0868   1.9050   7.4644   2.8433 -3.377639 3.422529 
1 1 1   12   10  -33 o   36.959   0.8772  183.605   8.7082  182.320   14.034  184.409   11.105   36.805   1.4196   37.031   1.1165 -0.2259521 1.806085 
1 1 1   12   10  -32 o   18.868   1.0378   48.004   5.2392   53.058   6.5279   38.856   8.7828   19.824   1.2321   16.863   1.9766 2.960642 2.329211 
1 1 1   12   10  -31 o   61.364   0.8705  506.043   14.348  519.951   17.571  478.215   24.856   62.192   1.0519   59.609   1.5525 2.583241 1.875288 
1 1 1   12   10  -30 o   43.703   0.7608  256.617   8.9307  248.383   11.640  268.402   13.925   42.988   1.0081   44.681   1.1603 -1.692703 1.537098 
1 1 1   12   10  -29 o   99.496   0.9706  1330.42   25.939  1339.19   35.044  1319.78   38.576   99.794   1.3074   99.053   1.4500 0.7406158 1.952373 
1 1 1   12   10  -28 o  118.104   1.1441  1874.99   36.294  1891.08   51.420  1859.01   51.234  118.554   1.6148  117.543   1.6228 1.010666 2.289360 
1 1 1   12   10  -27 o   30.073   0.9148  121.525   7.3893  116.991   9.5601  128.254   11.646   29.501   1.2065   30.883   1.4040 -1.382019 1.851184 
1 1 1   12   10  -26 o   89.630   0.9034  1079.42   21.749  1088.44   31.923  1071.60   29.711   89.978   1.3209   89.285   1.2389 0.6929398 1.810999 
1 1 1   12   10  -25 o   65.445   0.9154  575.463   16.090  572.415   22.033  578.947   23.554   65.257   1.2570   65.625   1.3363 -0.3674622 1.834616 
1 1 1   12   10  -24 o   59.629   0.8426  477.675   13.494  496.635   19.868  461.438   18.386   60.789   1.2169   58.597   1.1682 2.191963 1.686856 
1 1 1   12   10  -23 o   92.849   1.0143  1158.31   25.296  1143.47   30.766  1189.27   44.438   92.241   1.2418   94.037   1.7594 -1.795609 2.153512 
1 1 1   12   10  -22 o  146.959   1.3481  2902.56   53.210  2883.84   68.209  2931.65   85.048  146.448   1.7341  147.608   2.1452 -1.160004 2.758394 
1 1 1   12   10  -21 o   19.250   1.0057   49.921   5.1817   53.058   6.5197   44.541   8.5377   19.833   1.2300   18.114   1.7777 1.718817 2.161721 
1 1 1   12   10  -20 o   61.783   0.7719  512.732   12.809  504.194   16.997  523.954   19.487   61.262   1.0330   62.448   1.1618 -1.185905 1.554608 
1 1 1   12   10  -19 o  138.283   1.2212  2569.20   45.357  2515.35   60.500  2638.31   68.540  136.801   1.6466  140.092   1.8215 -3.290939 2.455429 
1 1 1   12   10  -18 o  106.453   1.0047  1522.31   28.727  1505.49   38.473  1543.50   43.186  105.852   1.3532  107.173   1.5002 -1.321602 2.020384 
1 1 1   12   10  -17 o   66.783   0.7505  599.038   13.462  596.823   18.866  601.336   19.215   66.655   1.0538   66.906   1.0692 -0.2512665 1.501251 
1 1 1   12   10  -16 o  201.061   1.6824  5432.63   90.857  5439.94  122.981  5423.84  134.817  201.139   2.2764  200.816   2.4995 0.3234253 3.380760 
1 1 1   12   10  -15 o  147.561   1.2859  2925.28   50.963  2916.86   68.706  2935.58   75.988  147.326   1.7363  147.788   1.9143 -0.4613800 2.584435 
1 1 1   12   10  -14 o  160.410   1.3782  3456.97   59.380  3398.71   79.415  3530.84   89.425  159.026   1.8593  162.075   2.0542 -3.048813 2.770715 
1 1 1   12   10  -13 o  140.436   1.3614  2649.59   51.353  2684.69   77.291  2621.85   68.711  141.331   2.0361  139.678   1.8315 1.652847 2.738623 
1 1 1   12   10  -12 o  114.457   1.1003  1759.73   33.826  1755.79   53.204  1762.40   43.823  114.310   1.7329  114.535   1.4245 -0.2255936 2.243264 
1 1 1   12   10  -11 o  105.586   0.9500  1497.44   26.942  1464.86   37.646  1531.64   38.574  104.423   1.3422  106.777   1.3450 -2.353477 1.900174 
1 1 1   12   10  -10 o  357.945   2.8991 17231.34  278.722 17287.50  378.149 17164.54  412.423  358.313   3.9292  356.943   4.3018 1.369965 5.826199 
1 1 1   12   10   -9 o  182.036   1.6102  4452.07   78.729  4445.17  124.243  4456.70  101.769  181.837   2.5439  182.105   2.0807 -0.2678528 3.286418 
1 1 1   12   10   -8 o  222.455   1.8416  6649.41  110.032  6651.89  149.079  6646.43  163.080  222.447   2.4952  222.333   2.7309 0.1131592 3.699134 
1 1 1   12   10   -7 o  133.227   1.1788  2384.20   42.181  2362.18   62.305  2402.83   57.314  132.593   1.7495  133.735   1.5956 -1.141602 2.367826 
1 1 1   12   10   -6 o  156.869   1.4902  3305.86   62.789  3322.66   84.599  3285.25   93.689  157.246   2.0031  156.347   2.2311 0.8992310 2.998306 
1 1 1   12   10   -5 o  107.191   1.2509  1543.42   36.013  1513.39   47.439  1584.26   55.328  106.134   1.6641  108.584   1.8971 -2.449860 2.523528 
1 1 1   12   10   -4 o  113.240   1.1494  1722.44   34.959  1732.88   47.136  1709.68   52.118  113.573   1.5452  112.806   1.7201 0.7675629 2.312254 
1 1 1   12   10   -3 o   31.780   0.9063  135.652   7.7362  137.611   9.4711  131.726   13.410   32.008   1.1017   31.272   1.6019 0.7360783 1.944184 
1 1 1   12   10   -2 o   77.741   0.9082  811.738   18.963  786.278   25.228  844.805   28.751   76.508   1.2277   79.303   1.3498 -2.794548 1.824608 
1 1 1   12   10   -1 o   36.400   0.9501  177.963   9.2893  186.465   12.644  167.992   13.693   37.258   1.2635   35.363   1.4416 1.894924 1.916946 
1 1 1   12   10    0 o  190.697   1.6782  4885.70   85.955  4883.17  110.946  4889.50  135.947  190.622   2.1669  190.713   2.6540 -0.9114075E-01 3.426251 
1 1 1   12   10    1 o  149.598   1.3582  3006.29   54.573  3029.96   70.821  2971.69   85.624  150.173   1.7558  148.706   2.1438 1.467224 2.771039 
1 1 1   12   10    2 o   65.485   0.8512  575.965   14.972  558.308   20.062  598.162   22.494   64.471   1.1585   66.731   1.2550 -2.260277 1.707985 
1 1 1   12   10    3 o   93.069   0.9539  1163.41   23.845  1166.91   30.900  1158.26   37.491   93.205   1.2343   92.854   1.5032 0.3512115 1.945074 
1 1 1   12   10    4 o  239.595   2.0701  7714.24  133.219  7752.97  172.558  7657.11  209.600  240.145   2.6753  238.593   3.2707 1.551559 4.225474 
1 1 1   12   10    5 o  255.509   2.1993  8773.82  150.934  8856.67  196.092  8653.39  236.426  256.650   2.8446  253.613   3.4708 3.037399 4.487602 
1 1 1   12   10    6 o  229.130   1.9858  7054.82  122.213  7077.72  158.116  7020.84  192.617  229.455   2.5656  228.474   3.1388 0.9808655 4.053934 
1 1 1   12   10    7 o  137.418   1.5114  2536.92   55.785  2506.26   73.360  2578.95   85.898  136.567   2.0000  138.519   2.3088 -1.951920 3.054549 
1 1 1   12   10    8 o  146.656   1.3390  2889.25   52.742  2808.90   73.322  2975.40   75.923  144.582   1.8881  148.805   1.8996 -4.223022 2.678342 
1 1 1   12   10    9 o   43.180   0.7653  250.418   8.8754  255.355   14.356  247.363   11.292   43.600   1.2259   42.914   0.9797 0.6857834 1.569229 
1 1 1   12   10   10 o  132.115   1.1723  2344.58   41.600  2341.01   61.677  2347.56   56.346  131.995   1.7397  132.186   1.5870 -0.1903687 2.354821 
1 1 1   12   10   11 o  130.781   1.2199  2297.57   42.852  2286.39   60.628  2308.73   60.575  130.445   1.7304  131.081   1.7205 -0.6361542 2.440207 
1 1 1   12   10   12 o  102.519   1.1431  1411.82   31.477  1446.12   52.012  1391.99   39.540  103.736   1.8667  101.789   1.4462 1.946594 2.361419 
1 1 1   12   10   13 o  122.137   1.2218  2003.93   40.082  2035.09   69.926  1988.68   48.915  123.046   2.1158  121.662   1.4969 1.384209 2.591801 
1 1 1   12   10   14 o  121.962   1.2959  1998.32   42.452  2102.41   71.657  1942.04   52.694  125.061   2.1333  120.220   1.6319 4.840546 2.685879 
1 1 1   12   10   15 o  133.701   1.2449  2401.49   44.707  2426.73   63.733  2377.03   62.729  134.378   1.7658  132.995   1.7561 1.382751 2.490357 
1 1 1   12   10   16 o   88.133   0.8971  1043.34   21.236  1066.39   31.817  1024.82   28.519   89.091   1.3296   87.340   1.2157 1.750748 1.801616 
1 1 1   12   10   17 o   89.969   0.9402  1087.29   22.720  1067.18   31.802  1108.27   32.471   89.123   1.3285   90.822   1.3311 -1.699532 1.880651 
1 1 1   12   10   18 o   62.033   0.7972  516.874   13.283  494.800   18.340  541.224   19.263   60.689   1.1251   63.472   1.1299 -2.783092 1.594564 
1 1 1   12   10   19 o  123.381   1.0703  2045.08   35.468  2029.92   49.876  2060.59   50.449  122.901   1.5109  123.826   1.5169 -0.9245758 2.140974 
1 1 1   12   10   20 o   95.899   0.8999  1235.41   23.180  1226.07   32.548  1245.03   33.019   95.523   1.2686   96.259   1.2771 -0.7353592 1.800118 
1 1 1   12   10   21 o   93.296   0.9271  1169.31   23.233  1123.21   33.769  1210.74   32.014   91.421   1.3752   94.922   1.2557 -3.500755 1.862264 
1 1 1   12   10   22 o  208.656   1.8279  5855.00  102.440  5951.43  163.445  5792.62  131.466  210.147   2.8957  207.445   2.3595 2.701477 3.735298 
1 1 1   12   10   23 o  103.263   1.1537  1432.91   31.998  1438.57   40.727  1423.76   51.723  103.447   1.4658  102.881   1.8718 0.5660477 2.377421 
1 1 1   12   10   24 o  105.236   1.1096  1488.22   31.365  1521.07   47.633  1463.07   41.675  106.349   1.6676  104.317   1.4874 2.032349 2.234524 
1 1 1   12   10   25 o   47.578   0.8406  304.118   10.743  295.412   16.280  310.832   14.297   46.879   1.2929   48.093   1.1068 -1.214039 1.701986 
1 1 1   12   10   26 o  104.740   1.1065  1474.40   31.128  1495.73   53.993  1463.78   38.096  105.416   1.9070  104.342   1.3593 1.074158 2.341853 
1 1 1   12   10   27 o  109.716   1.1348  1617.99   33.440  1596.37   56.426  1629.69   41.516  108.891   1.9293  110.086   1.4041 -1.195305 2.386116 
1 1 1   12   10   28 o   49.633   0.8837  331.011   11.780  314.400   18.389  342.574   15.342   48.350   1.4160   50.483   1.1315 -2.133106 1.812546 
1 1 1   12   10   29 o   80.219   0.8255  864.660   17.787  864.786   24.987  864.530   25.325   80.204   1.1599   80.191   1.1758 0.1303101E-01 1.651629 
1 1 1   12   10   30 o  114.024   1.1211  1747.87   34.336  1735.16   54.174  1756.40   44.391  113.520   1.7768  114.263   1.4464 -0.7431107 2.291082 
1 1 1   12   10   31 o   26.148   1.0894   91.919   7.6512  113.454   13.932   82.620   9.1554   28.968   1.7995   24.744   1.3831 4.224272 2.269651 
1 1 1   12   10   32 o   45.428   0.8583  277.343   10.473  272.720   15.971  280.832   13.872   45.025   1.3206   45.700   1.1301 -0.6753349 1.738161 
1 1 1   12   10   33 o   47.371   0.7804  301.569   9.9295  304.730   13.151  297.376   15.144   47.607   1.0285   47.019   1.1992 0.5877991 1.579785 
1 1 1   12   10   34 f   59.923   0.8480  482.661   13.648  463.280   19.023  503.219   19.591   58.681   1.2069   61.159   1.1926 -2.478436 1.696798 
1 1 1   12   10   35 o   50.475   0.8678  342.515   11.766  345.843   13.874  333.992   22.202   50.710   1.0186   49.773   1.6608 0.9365883 1.948267 
1 1 1   12   10   36 o   59.857   0.7640  481.603   12.283  486.557   15.868  474.198   19.401   60.146   0.9822   59.353   1.2170 0.7927628 1.563907 
1 1 1   12   10   37 o   32.728   0.7920  144.002   6.9618  151.907   8.7688  130.522   11.450   33.605   0.9715   31.125   1.3696 2.479950 1.679194 
1 1 1   12   10   38 o   21.978   0.9530   64.981   5.6257   67.309   7.1391   61.168   9.1379   22.326   1.1948   21.230   1.6146 1.096302 2.008644 
1 1 1   12   10   39 o   35.611   0.8420  170.540   8.0531  167.171   11.052  174.355   11.759   35.235   1.1678   35.980   1.2168 -0.7450218 1.686525 
1 1 1   12   10   40 o   66.303   0.8023  591.155   14.288  583.500   19.864  599.360   20.565   65.830   1.1235   66.715   1.1477 -0.8849106 1.606042 
1 1 1   12   10   41 o   33.303   0.8981  149.208   8.0331  139.051   11.566  158.676   11.166   32.114   1.3409   34.318   1.2114 -2.203945 1.807029 
1 1 1   12   10   42 o   28.074   0.9338  106.067   7.0415  111.689   9.7190   99.857   10.216   28.785   1.2571   27.169   1.4048 1.615772 1.885126 
1 1 1   12   10   43 o   17.381   1.4249   41.051   6.5936   46.094   8.1964   31.804   11.100   18.385   1.6784   14.995   2.8603 3.389571 3.316365 
1 1 1   12   10   44 o   16.266   1.4729   36.040   6.3654   34.381   8.5241   38.131   9.5706   15.777   2.0608   16.598   2.2011 -0.8209562 3.015263 
1 1 1   12   10   45 o   13.024   1.9450   23.534   6.5954   26.674   8.4602   18.668   10.531   13.790   2.3696   11.453   3.2645 2.336755 4.033870 
1 1 1   12   10   46 o   36.737   0.9950  181.827   9.8179  189.949   14.079  174.140   13.698   37.490   1.3982   35.892   1.4209 1.597748 1.993494 
1 1 1   12   10   47 o   32.413   1.0546  141.619   9.1808  150.936   13.866  134.346   12.251   33.391   1.5461   31.518   1.4471 1.872820 2.117697 
1 1 1   12   10   48 o   19.211   1.4100   50.164   7.2245   58.936   9.5538   38.450   11.041   20.773   1.7280   16.554   2.5662 4.219431 3.093772 
1 1 1   12   10   49 o   30.094   1.0277  122.076   8.3072  117.491   11.086  127.947   12.546   29.478   1.4001   30.743   1.5194 -1.265123 2.066136 
1 1 1   12   10   50 o   59.613   0.8523  478.520   13.647  472.461   19.072  484.878   19.537   59.156   1.2003   59.925   1.2138 -0.7687302 1.707096 
1 1 1   12   10   51 o   26.832   1.2714   97.320   9.1630   99.629   14.639   95.833   11.749   26.938   2.0383   26.516   1.6581 0.4223766 2.627552 
1 1 1   12   10   52 f   23.546   1.5351   75.575   9.6551   81.827   14.704   70.836   12.801   24.296   2.2800   22.637   2.1305 1.658463 3.120487 
1 1 1   12   10   53 f   42.887   1.0268  248.416   11.828  246.444   16.622  250.438   16.833   42.595   1.4529   42.937   1.4596 -0.3415298 2.059480 
1 1 1   12   10   54 f   22.783   2.1647   72.361   13.087   88.592   20.830   61.774   16.822   24.723   3.2128   20.625   3.1355 4.098234 4.489277 
1 1 1   12   10   55 o   9.0323   3.5256   8.5845   12.363   24.629   17.502  -7.3936   17.466   12.786   4.3055   8.0339   3.6622 4.752383 5.652347 
1 1 1   12   10   56 o   19.709   2.6038   55.956   13.446   40.595   19.077   71.121   18.955   15.854   4.3492   21.816   3.3413 -5.962710 5.484480 
1 1 1   12   10   57 f   7.2092   3.0732   1.7024   10.476   7.7673   17.646  -1.5987   13.019   9.7040   4.0543   7.4226   3.2895 2.281417 5.220901 
1 1 1   12   11  -56 o   13.679   4.2420   30.309   17.204   0.0000   0.0000   30.309   17.204  ?   ?    13.679   4.2420 0.000000 4.241987 
1 1 1   12   11  -55 o   21.912   2.9086   69.990   16.695   33.330   31.871   83.854   19.599   14.585   5.6695   23.868   3.1329 -9.283449 6.477528 
1 1 1   12   11  -54 o   39.250   2.1458  214.399   22.536  205.800   31.105  223.900   32.695   37.751   3.0948   39.364   3.1179 -1.612999 4.393074 
1 1 1   12   11  -53 o   14.887   3.2965   32.860   12.833   40.208   17.592   24.501   18.763   16.193   4.0539   12.956   4.4566 3.236783 6.024590 
1 1 1   12   11  -52 o   34.884   1.2392  164.767   11.611  167.791   15.826  161.243   17.086   35.084   1.6795   34.286   1.8624 0.7972984 2.507792 
1 1 1   12   11  -51 o   7.2532   2.6944   5.7818   6.9996   17.771   9.3486  -9.5144   10.560   11.089   3.0455   5.8319   2.7244 5.257479 4.086258 
1 1 1   12   11  -50 o   19.380   1.4248   51.121   7.3645   50.192   9.3025   52.681   12.054   19.118   1.8341   19.456   2.3547 -0.3379192 2.984756 
1 1 1   12   11  -49 o   7.9941   2.7614   8.0771   7.2075   7.3334   9.4287   9.1227   11.179   8.2953   3.1182   9.0970   3.4001 -0.8016920 4.613424 
1 1 1   12   11  -48 o   16.035   1.5451   35.136   6.5720   31.336   8.9150   39.660   9.7264   14.974   2.2894   16.907   2.1936 -1.932760 3.170660 
1 1 1   12   11  -47 o   19.911   1.2273   53.721   6.5315   59.399   8.7477   46.569   9.8185   20.883   1.5711   18.384   2.0219 2.498949 2.560555 
1 1 1   12   11  -46 o   23.625   1.1135   75.279   7.0656   87.025   9.6817   61.895   10.335   25.327   1.4290   21.270   1.8267 4.057072 2.319287 
1 1 1   12   11  -45 o   51.127   0.8129  351.816   11.163  366.694   15.591  336.166   15.991   52.147   1.1132   49.914   1.1928 2.233059 1.631525 
1 1 1   12   11  -44 o   22.823   1.0675   70.200   6.5440   71.490   8.7939   68.600   9.7962   22.955   1.4335   22.449   1.6359 0.5054665 2.175145 
1 1 1   12   11  -43 f   24.956   1.0792   83.923   7.2338   83.308   8.9969   85.049   12.166   24.804   1.3556   24.981   1.8259 -0.1763515 2.274091 
1 1 1   12   11  -42 o   18.922   1.1808   48.447   5.9714   40.535   7.7265   60.183   9.4099   17.228   1.6916   21.025   1.6803 -3.797871 2.384335 
1 1 1   12   11  -41 o   28.493   0.9057  109.245   6.9309  102.368   9.1483  118.512   10.619   27.558   1.2360   29.642   1.3338 -2.084442 1.818380 
1 1 1   12   11  -40 o   39.523   0.8491  210.124   9.0140  203.236   13.100  216.317   12.422   38.832   1.2560   40.074   1.1541 -1.241318 1.705727 
1 1 1   12   11  -39 o   21.715   1.2058   63.713   7.0050   64.454   10.926   63.196   9.1280   21.745   1.8895   21.578   1.5861 0.1673088 2.466956 
1 1 1   12   11  -38 o   35.248   0.8243  167.080   7.8042  151.784   10.361  187.136   11.864   33.574   1.1490   37.276   1.1850 -3.702206 1.650576 
1 1 1   12   11  -37 o   89.215   0.8894  1070.52   21.312  1046.04   29.567  1097.00   30.747   88.124   1.2492   90.241   1.2685 -2.116882 1.780343 
1 1 1   12   11  -36 o   47.340   0.7703  301.284   9.7940  316.029   14.549  289.068   13.244   48.456   1.1179   46.348   1.0639 2.108181 1.543229 
1 1 1   12   11  -35 o   30.083   0.7787  121.654   6.2922  125.456   8.3331  116.609   9.5973   30.539   1.0159   29.432   1.2141 1.107084 1.583062 
1 1 1   12   11  -34 o   32.994   0.8712  146.362   7.7210  148.978   9.3765  140.853   13.608   33.280   1.0490   32.327   1.5672 0.9523163 1.885846 
1 1 1   12   11  -33 o   70.670   0.8293  671.312   15.742  687.347   21.194  651.579   23.510   71.484   1.1038   69.583   1.2579 1.901390 1.673580 
1 1 1   12   11  -32 o   59.364   0.7908  473.612   12.609  488.521   16.853  454.658   19.003   60.275   1.0410   58.135   1.2170 2.140053 1.601488 
1 1 1   12   11  -31 f   85.152   0.8528  974.500   19.504  964.115   27.131  985.607   28.058   84.666   1.1931   85.602   1.2203 -0.9355316 1.706636 
1 1 1   12   11  -30 o   66.172   0.8438  588.435   14.997  597.920   19.245  573.769   23.931   66.689   1.0744   65.306   1.3643 1.382675 1.736577 
1 1 1   12   11  -29 o  138.821   1.2323  2591.48   45.947  2557.53   61.585  2634.10   69.003  137.833   1.6635  139.844   1.8371 -2.010986 2.478355 
1 1 1   12   11  -28 o   47.971   0.8539  309.226   11.002  287.871   14.172  341.611   17.452   46.274   1.1402   50.401   1.2892 -4.127083 1.721107 
1 1 1   12   11  -27 o   63.483   0.8827  541.547   15.052  535.995   22.315  546.181   20.388   63.134   1.3159   63.739   1.1909 -0.6047134 1.774816 
1 1 1   12   11  -26 o   8.5864   2.0721   10.330   4.7241   11.531   5.8255   8.0246   8.0736   9.0813   2.3650   8.2622   2.9180 0.8190517 3.756049 
1 1 1   12   11  -25 o   49.911   0.8636  334.709   11.577  331.010   15.528  339.339   17.372   49.624   1.1650   50.240   1.2874 -0.6154175 1.736299 
1 1 1   12   11  -24 f   48.507   0.7558  316.100   9.8476  311.993   12.922  321.790   15.209   48.185   0.9985   48.930   1.1573 -0.7455330 1.528460 
1 1 1   12   11  -23 f   45.051   0.8208  272.670   9.9321  281.331   14.159  264.280   13.936   45.753   1.1522   44.344   1.1701 1.408737 1.642125 
1 1 1   12   11  -22 o   67.743   1.0378  616.646   18.883  565.994   25.191  681.610   28.529   64.885   1.4454   71.202   1.4918 -6.316780 2.077177 
1 1 1   12   11  -21 f  143.798   1.3916  2779.43   53.749  2765.48   65.651  2807.79   93.604  143.404   1.7045  144.399   2.4134 -0.9950104 2.954646 
1 1 1   12   11  -20 o  109.664   1.0271  1615.80   30.254  1615.93   40.792  1615.64   45.104  109.649   1.3851  109.629   1.5318 0.1971436E-01 2.065138 
1 1 1   12   11  -19 o   55.507   0.7815  413.866   11.652  402.937   15.907  426.519   17.115   54.763   1.0815   56.342   1.1310 -1.578552 1.564832 
1 1 1   12   11  -18 o  112.718   1.0008  1706.86   30.298  1720.59   42.896  1693.19   42.800  113.150   1.4114  112.246   1.4197 0.9048080 2.001900 
1 1 1   12   11  -17 o  196.601   1.5790  5194.94   83.380  5160.59  117.325  5230.00  118.519  195.873   2.2301  197.184   2.2378 -1.311768 3.159293 
1 1 1   12   11  -16 o   48.743   0.7567  319.123   9.9068  306.526   13.630  333.233   14.425   47.767   1.0623   49.804   1.0783 -2.037239 1.513721 
1 1 1   12   11  -15 o   70.131   0.7676  660.628   14.459  661.258   20.349  659.984   20.549   70.159   1.0798   70.091   1.0915 0.6787872E-01 1.535427 
1 1 1   12   11  -14 o  110.366   1.0295  1636.25   30.519  1659.25   41.534  1609.25   44.994  111.126   1.3915  109.434   1.5308 1.692757 2.068730 
1 1 1   12   11  -13 o  138.741   1.2214  2585.98   45.514  2537.93   60.936  2646.61   68.449  137.425   1.6509  140.327   1.8161 -2.901764 2.454298 
1 1 1   12   11  -12 o   71.634   0.8785  689.250   16.903  698.683   25.371  681.721   22.666   72.115   1.3099   71.237   1.1846 0.8781586 1.766077 
1 1 1   12   11  -11 o   67.597   0.8574  613.748   15.566  583.907   22.858  639.556   21.257   65.927   1.2909   69.000   1.1470 -3.072701 1.726843 
1 1 1   12   11  -10 o  103.230   0.9837  1431.41   27.276  1459.88   40.945  1408.70   36.572  104.239   1.4625  102.399   1.3297 1.839684 1.976593 
1 1 1   12   11   -9 o   14.301   1.3280   27.712   5.0429   36.739   7.6674   20.830   6.6947   16.441   1.7639   12.276   2.1062 4.164621 2.747285 
1 1 1   12   11   -8 o  137.674   1.2125  2546.18   44.837  2602.14   67.480  2501.96   59.996  139.155   1.8055  136.457   1.6369 2.697357 2.437061 
1 1 1   12   11   -7 o   73.771   0.9479  730.972   18.782  741.239   24.199  715.414   29.787   74.283   1.2129   72.972   1.5198 1.311203 1.944433 
1 1 1   12   11   -6 o  281.249   2.2000 10632.20  166.186 10586.92  234.391 10677.97  235.661  280.526   3.1108  281.729   3.1143 -1.203186 4.401835 
1 1 1   12   11   -5 o  140.841   1.2924  2664.71   48.889  2663.71   63.230  2666.19   77.091  140.801   1.6720  140.849   2.0378 -0.4844666E-01 2.635907 
1 1 1   12   11   -4 o  178.318   1.5067  4271.94   72.164  4320.71   98.467  4215.36  106.067  179.303   2.0446  177.092   2.2299 2.211685 3.025401 
1 1 1   12   11   -3 o   87.889   0.8424  1037.50   19.887  1045.50   28.301  1029.70   27.951   88.222   1.1943   87.553   1.1886 0.6692352 1.685003 
1 1 1   12   11   -2 o  166.713   1.4208  3733.80   63.622  3695.59   85.671  3780.80   95.002  165.834   1.9234  167.725   2.1088 -1.890396 2.854232 
1 1 1   12   11   -1 o   88.514   0.8837  1052.32   21.009  1047.24   31.256  1056.51   28.376   88.293   1.3180   88.686   1.1913 -0.3921509 1.776565 
1 1 1   12   11    0 o   68.191   0.7431  624.533   13.611  632.777   19.503  616.705   19.004   68.636   1.0579   67.759   1.0442 0.8770905 1.486459 
1 1 1   12   11    1 o  194.240   1.5579  5068.92   81.277  5061.20  114.858  5076.67  115.029  194.052   2.2037  194.348   2.2036 -0.2963257 3.116441 
1 1 1   12   11    2 o   48.913   0.6869  321.330   9.0248  334.438   13.059  309.347   12.486   49.899   0.9744   47.991   0.9687 1.908298 1.373964 
1 1 1   12   11    3 o  187.052   1.5062  4700.64   75.671  4734.60  107.507  4667.29  106.530  187.690   2.1326  186.351   2.1284 1.338699 3.012946 
1 1 1   12   11    4 o   91.740   0.8651  1130.40   21.316  1148.27   30.476  1113.29   29.824   92.456   1.2273   91.037   1.2197 1.419357 1.730271 
1 1 1   12   11    5 o   42.978   0.9072  248.094   10.473  251.749   14.228  243.773   15.471   43.291   1.2237   42.598   1.3522 0.6925049 1.823669 
1 1 1   12   11    6 o  295.090   2.5230 11707.71  199.972 11705.55  258.227 11710.93  316.065  294.949   3.2596  294.876   3.9907 0.7333374E-01 5.152690 
1 1 1   12   11    7 o   37.421   0.7181  188.075   7.2178  185.757   10.399  190.231   10.027   37.188   1.0411   37.633   0.9919 -0.4454842 1.437991 
1 1 1   12   11    8 o  133.240   1.1304  2384.71   40.453  2374.47   57.122  2395.01   57.296  132.937   1.5998  133.511   1.5978 -0.5738678 2.261026 
1 1 1   12   11    9 o  108.459   1.0132  1580.10   29.516  1609.30   44.342  1556.87   39.552  109.443   1.5085  107.650   1.3679 1.793221 2.036331 
1 1 1   12   11   10 o  172.259   1.4653  3986.74   67.795  4029.56  101.212  3951.89   91.304  173.135   2.1765  171.473   1.9825 1.662415 2.944006 
1 1 1   12   11   11 o  106.674   1.0024  1528.52   28.721  1565.52   43.046  1498.83   38.558  107.943   1.4847  105.623   1.3591 2.319992 2.012874 
1 1 1   12   11   12 o   82.948   1.0063  924.227   22.419  903.248   36.425  937.022   28.446   81.985   1.6541   83.515   1.2681 -1.529488 2.084313 
1 1 1   12   11   13 o  123.204   1.2326  2039.26   40.789  2103.11   71.711  2008.72   49.593  125.072   2.1347  122.267   1.5101 2.805405 2.614832 
1 1 1   12   11   14 o  167.027   1.4992  3748.76   67.257  3728.18   94.805  3769.62   95.428  166.520   2.1197  167.443   2.1219 -0.9227905 2.999231 
1 1 1   12   11   15 o   63.683   0.8668  544.757   14.826  532.057   22.166  555.039   19.944   62.928   1.3114   64.276   1.1552 -1.348103 1.747671 
1 1 1   12   11   16 o  154.277   1.2785  3197.95   52.977  3140.86   74.049  3257.82   75.824  152.857   1.8036  155.676   1.8134 -2.819244 2.557621 
1 1 1   12   11   17 o   70.548   0.7688  668.514   14.568  654.568   20.277  683.392   20.943   69.802   1.0815   71.322   1.0933 -1.520020 1.537865 
1 1 1   12   11   18 o   66.187   0.7550  588.430   13.421  604.278   18.984  572.594   18.977   67.066   1.0539   65.284   1.0823 1.782600 1.510593 
1 1 1   12   11   19 o  136.794   1.1589  2514.30   42.579  2543.99   60.491  2485.15   59.944  137.564   1.6372  135.964   1.6414 1.600357 2.318334 
1 1 1   12   11   20 o   37.523   0.7857  189.137   7.9183  168.533   11.578  207.246   10.854   35.414   1.2172   39.275   1.0289 -3.860809 1.593784 
1 1 1   12   11   21 f   58.226   0.7305  455.404   11.424  448.181   15.880  463.151   16.447   57.755   1.0237   58.711   1.0430 -0.9560585 1.461434 
1 1 1   12   11   22 o   79.696   0.8873  853.322   18.994  874.136   24.838  824.006   29.477   80.651   1.1466   78.292   1.4018 2.359756 1.810994 
1 1 1   12   11   23 f   45.664   0.8184  280.137   10.038  266.579   16.034  288.874   12.872   44.531   1.3406   46.365   1.0336 -1.834309 1.692785 
1 1 1   12   11   24 f   38.503   0.8330  199.174   8.6147  200.811   12.126  197.505   12.240   38.653   1.1680   38.333   1.1889 0.3201141 1.666651 
1 1 1   12   11   25 o   92.169   0.9751  1141.57   24.140  1133.45   38.085  1147.03   31.210   91.796   1.5447   92.369   1.2580 -0.5729446 1.992110 
1 1 1   12   11   26 o   78.703   0.9400  832.371   19.870  849.161   34.371  823.943   24.351   79.444   1.6108   78.291   1.1580 1.153435 1.983875 
1 1 1   12   11   27 o   26.650   0.9119   95.441   6.5271  108.722   9.4838   83.489   8.9968   28.436   1.2417   24.880   1.3514 3.556654 1.835243 
1 1 1   12   11   28 o   95.471   0.9488  1224.95   24.330  1240.23   36.242  1212.42   32.826   96.022   1.4052   94.952   1.2871 1.070549 1.905613 
1 1 1   12   11   29 o   71.291   0.8276  682.964   15.847  687.456   23.343  679.125   21.581   71.501   1.2155   71.072   1.1305 0.4283371 1.659985 
1 1 1   12   11   30 o   45.821   0.8110  282.138   9.9816  275.804   13.563  289.621   14.742   45.291   1.1150   46.408   1.1827 -1.117195 1.625414 
1 1 1   12   11   31 f   68.256   0.8128  626.107   14.900  627.137   20.019  624.828   22.312   68.293   1.0914   68.157   1.2188 0.1363602 1.636005 
1 1 1   12   11   32 o   30.601   0.8710  125.865   7.1585  123.497   9.7506  128.633   10.543   30.299   1.1981   30.920   1.2695 -0.6204147 1.745605 
1 1 1   12   11   33 o   61.151   0.8773  502.705   14.410  490.144   21.865  512.351   19.160   60.341   1.3491   61.712   1.1559 -1.371307 1.776567 
1 1 1   12   11   34 o   55.347   0.8251  411.803   12.266  389.731   16.634  438.113   18.160   53.818   1.1507   57.058   1.1850 -3.239529 1.651775 
1 1 1   12   11   35 o   21.356   1.0263   61.356   5.8871   62.790   7.3364   58.762   9.8659   21.557   1.2727   20.789   1.7842 0.7683868 2.191619 
1 1 1   12   11   36 o   48.280   0.7410  313.347   9.6085  302.428   12.091  332.055   15.828   47.417   0.9494   49.663   1.1866 -2.246010 1.519647 
1 1 1   12   11   37 o   10.671   1.6780   15.741   4.6505   18.095   5.7123   11.112   8.0088   11.413   1.9324   9.1087   2.9040 2.304300 3.488159 
1 1 1   12   11   38 o   20.713   1.0715   57.902   5.9407   51.794   7.6616   67.111   9.4076   19.541   1.4705   22.243   1.5851 -2.701405 2.162152 
1 1 1   12   11   39 o   25.463   0.9856   87.255   6.7404   71.130   9.2511  105.501   9.8409   22.909   1.5120   27.977   1.3096 -5.068113 2.000267 
1 1 1   12   11   40 o   58.530   0.8484  460.814   13.338  463.198   20.174  458.963   17.777   58.620   1.2813   58.375   1.1338 0.2451286 1.710929 
1 1 1   12   11   41 o   23.194   1.0283   72.430   6.4062   79.886   8.5365   62.818   9.6926   24.304   1.3126   21.488   1.6931 2.816029 2.142336 
1 1 1   12   11   42 o   5.2850   2.2051   0.7864   5.2100   3.3556   6.8910  -2.6419   7.9603   6.6173   2.6171   5.7915   2.5691 0.8257632 3.667356 
1 1 1   12   11   43 f   32.493   0.9347  142.149   8.1575  143.048   10.553  140.815   12.858   32.569   1.2064   32.279   1.4831 0.2897606 1.911811 
1 1 1   12   11   44 o   4.0178   1.9107  -7.0720   5.6295  -2.4076   7.1259 -14.8165   9.1821   5.4687   2.4281   4.7936   2.3206 0.6751361 3.358728 
1 1 1   12   11   45 o   34.659   0.9448  161.803   8.7957  165.850   11.278  155.519   14.052   35.058   1.1977   33.896   1.5435 1.162685 1.953712 
1 1 1   12   11   46 o   18.190   1.4877   45.065   7.2047   42.906   8.8910   49.194   12.295   17.666   1.9039   18.784   2.4991 -1.118174 3.141712 
1 1 1   12   11   47 o   30.126   0.9656  122.286   7.8131  134.383   10.742  108.698   11.385   31.544   1.2679   28.298   1.5033 3.245459 1.966558 
1 1 1   12   11   48 o   10.778   2.2392   16.447   6.2708   2.1488   8.3521   34.921   9.4937   6.8226   2.8145   15.821   2.3016 -8.998604 3.635779 
1 1 1   12   11   49 o   40.219   0.8991  217.891   9.7124  221.751   13.494  213.741   13.991   40.519   1.2399   39.767   1.3098 0.7516556 1.803614 
1 1 1   12   11   50 o   17.009   1.8305   39.819   8.2311   33.045   13.910   43.468   10.210   15.033   3.5089   17.691   2.1961 -2.657476 4.139485 
1 1 1   12   11   51 o   21.956   1.4840   65.681   8.6999   60.808   11.561   72.042   13.210   20.975   2.0795   22.816   2.1822 -1.840809 3.014356 
1 1 1   12   11   52 o   41.219   1.0780  229.582   11.934  234.080   15.556  223.149   18.604   41.534   1.3945   40.447   1.7125 1.086906 2.208439 
1 1 1   12   11   53 o   36.077   1.8990  179.199   18.337  194.200   29.323  169.567   23.498   36.913   2.9832   34.761   2.5343 2.152115 3.914290 
1 1 1   12   11   54 o   23.825   2.2387   79.622   14.158   92.342   20.364   67.720   19.697   25.225   3.0688   21.276   3.5735 3.948782 4.710364 
1 1 1   12   11   55 o   19.885   2.5411   56.732   13.262   48.201   19.373   64.254   18.192   17.402   4.1941   20.701   3.3891 -3.299212 5.392296 
1 1 1   12   11   56 o   19.772   2.5200   56.448   13.079   71.805   19.918   44.809   17.341   21.655   3.5474   16.786   3.9175 4.869080 5.284973 
1 1 1   12   12    0 o   54.542   0.9976  399.553   14.614  393.229   20.682  405.858   20.653   54.106   1.4232   54.968   1.3989 -0.8621864 1.995586 
1 1 1   12   12    1 o  156.514   1.2903  3290.94   54.240  3323.54   77.194  3259.14   76.230  157.260   1.8276  155.730   1.8225 1.530609 2.580960 
1 1 1   12   12    2 f   39.878   0.7487  213.589   8.0189  205.104   12.144  220.150   10.678   39.075   1.1571   40.484   0.9820 -1.409466 1.517614 
1 1 1   12   12    3 o   70.447   0.8348  666.573   15.795  657.075   20.547  680.298   24.698   69.939   1.0938   71.161   1.2922 -1.221672 1.692959 
1 1 1   12   12    4 o   67.760   0.8237  616.688   14.990  615.085   19.547  618.976   23.357   67.668   1.0755   67.878   1.2811 -0.2101746 1.672718 
1 1 1   12   12    5 o  171.240   1.3952  3939.65   64.169  3937.59   90.769  3941.71   90.728  171.159   1.9744  171.249   1.9725 -0.8947754E-01 2.790926 
1 1 1   12   12    6 o   25.688   0.8447   88.631   5.8282   84.070   8.4577   92.755   8.0426   24.984   1.2645   26.277   1.1395 -1.293379 1.702214 
1 1 1   12   12    7 o   65.014   0.7443  567.723   12.997  552.937   18.314  582.727   18.449   64.158   1.0628   65.864   1.0429 -1.705925 1.488984 
1 1 1   12   12    8 o   41.797   0.7145  234.645   8.0210  241.452   11.652  228.514   11.058   42.397   1.0232   41.245   0.9982 1.151371 1.429475 
1 1 1   12   12    9 o  109.096   1.0207  1598.80   29.909  1599.22   44.529  1598.46   40.372  109.094   1.5197  109.073   1.3781 0.2040863E-01 2.051449 
1 1 1   12   12   10 o   83.282   0.9556  931.674   21.376  951.391   37.333  922.057   26.074   84.139   1.6520   82.846   1.1718 1.292854 2.025345 
1 1 1   12   12   11 o  128.294   1.2061  2211.30   41.559  2197.42   65.527  2220.65   53.754  127.853   1.9082  128.549   1.5569 -0.6951828 2.462700 
1 1 1   12   12   12 o  162.582   1.3960  3551.77   60.962  3531.60   90.169  3568.75   82.735  162.066   2.0715  162.932   1.8906 -0.8666229 2.804492 
1 1 1   12   12   13 o  109.586   1.0264  1613.29   30.212  1604.97   44.780  1620.23   40.932  109.283   1.5256  109.808   1.3879 -0.5250320 2.062415 
1 1 1   12   12   14 o  166.768   1.4960  3737.64   67.007  3767.68   95.333  3708.31   94.203  167.376   2.1206  166.053   2.1122 1.322998 2.993017 
1 1 1   12   12   15 o  137.252   1.4230  2531.65   52.457  2470.66   84.436  2569.99   66.944  135.510   2.3199  138.258   1.8027 -2.748001 2.937951 
1 1 1   12   12   16 o   66.781   0.7535  599.039   13.515  589.679   18.806  609.035   19.434   66.250   1.0569   67.328   1.0747 -1.078079 1.507293 
1 1 1   12   12   17 o   66.648   0.7578  596.682   13.566  596.928   19.059  596.428   19.314   66.655   1.0646   66.626   1.0793 0.2833557E-01 1.515961 
1 1 1   12   12   18 o  111.814   0.9962  1679.77   29.918  1681.37   42.246  1678.15   42.376  111.844   1.4063  111.736   1.4120 0.1077805 1.992835 
1 1 1   12   12   19 o   44.720   0.8006  268.660   9.6166  263.694   14.328  272.732   12.973   44.296   1.2043   45.052   1.0721 -0.7559929 1.612332 
1 1 1   12   12   20 o   74.735   0.9490  750.443   19.050  737.429   26.617  764.111   27.278   74.067   1.3379   75.395   1.3470 -1.327576 1.898570 
1 1 1   12   12   21 o   23.083   0.9768   71.596   6.0558   66.110   8.2126   78.132   8.9651   22.132   1.3886   24.067   1.3929 -1.935266 1.966804 
1 1 1   12   12   22 o  166.208   1.3655  3714.22   60.960  3705.31   86.012  3723.22   86.411  165.912   1.9301  166.312   1.9344 -0.3997955 2.732673 
1 1 1   12   12   23 f   17.168   1.0823   39.772   4.9650   40.956   6.5368   38.157   7.6332   17.395   1.4113   16.752   1.7210 0.6427956 2.225653 
1 1 1   12   12   24 o   67.312   0.8292  608.782   14.992  599.168   20.687  619.416   21.758   66.763   1.1536   67.879   1.1934 -1.116394 1.659835 
1 1 1   12   12   25 f  107.766   1.1241  1561.16   32.538  1521.14   47.828  1595.64   44.394  106.313   1.6750  108.906   1.5177 -2.593185 2.260283 
1 1 1   12   12   26 o  105.621   1.0113  1499.43   28.689  1507.61   42.602  1492.64   38.807  105.857   1.4984  105.345   1.3715 0.5116196 2.031300 
1 1 1   12   12   27 o   69.213   0.8136  643.696   15.125  628.937   20.117  662.890   22.941   68.399   1.0950   70.212   1.2165 -1.813408 1.636763 
1 1 1   12   12   28 o   59.208   0.8164  471.073   12.983  492.821   16.789  438.728   20.475   60.548   1.0324   57.109   1.3348 3.438572 1.687496 
1 1 1   12   12   29 o   40.831   0.8283  224.050   9.0841  227.568   12.593  220.234   13.116   41.137   1.1398   40.466   1.2068 0.6715965 1.659924 
1 1 1   12   12   30 o   51.634   0.8208  358.307   11.383  352.907   15.712  364.272   16.514   51.225   1.1420   52.041   1.1815 -0.8155594 1.643176 
1 1 1   12   12   31 o   34.915   0.8938  163.873   8.3821  168.665   11.202  157.778   12.635   35.409   1.1779   34.236   1.3740 1.172554 1.809796 
1 1 1   12   12   32 o   28.594   0.9057  109.930   6.9557  115.016   9.7460  104.650   9.9301   29.234   1.2412   27.881   1.3260 1.352732 1.816329 
1 1 1   12   12   33 o   50.394   0.7459  341.344   10.096  339.438   12.453  345.001   17.247   50.241   0.9229   50.622   1.2685 -0.3802795 1.568653 
1 1 1   12   12   34 o   19.327   1.0245   50.393   5.2989   46.680   6.4787   57.895   9.2098   18.571   1.3072   20.647   1.6752 -2.075420 2.124876 
1 1 1   12   12   35 o   36.223   0.7887  176.417   7.6734  188.085   10.043  160.054   11.894   37.389   1.0001   34.470   1.2847 2.919186 1.628033 
1 1 1   12   12   36 o   40.500   0.7309  220.518   7.9506  230.831   10.377  205.855   12.373   41.423   0.9327   39.098   1.1782 2.325291 1.502662 
1 1 1   12   12   37 o   29.988   0.8515  120.951   6.8581  115.248   8.8814  129.376   10.793   29.255   1.1303   30.984   1.2970 -1.728294 1.720377 
1 1 1   12   12   38 o   27.323   1.0652  100.510   7.8174  102.335   12.228   99.249   10.167   27.471   1.6651   27.091   1.4020 0.3806381 2.176701 
1 1 1   12   12   39 o   44.337   0.8337  264.421   9.9279  253.650   14.383  274.222   13.720   43.382   1.2344   45.120   1.1321 -1.737644 1.674961 
1 1 1   12   12   40 o   33.994   0.9157  155.517   8.3609  172.242   12.173  140.581   11.503   35.741   1.2681   32.283   1.3267 3.457706 1.835221 
1 1 1   12   12   41 o   45.993   0.7989  284.582   9.8696  290.361   13.514  277.978   14.448   46.424   1.0838   45.410   1.1846 1.014740 1.605581 
1 1 1   12   12   42 o   29.457   0.9880  116.868   7.8170  116.840   9.6144  116.922   13.427   29.431   1.2162   29.330   1.7118 0.1010914 2.099852 
1 1 1   12   12   43 o   30.943   0.9117  128.928   7.5771  138.969   10.177  116.443   11.349   32.096   1.1806   29.348   1.4398 2.748131 1.861907 
1 1 1   12   12   44 o   7.8851   2.4277   8.5268   5.6464   4.9406   7.2661   13.994   8.9711   7.1301   2.7239   10.014   3.0561 -2.883523 4.093867 
1 1 1   12   12   45 o   23.218   1.1004   72.708   6.8624   69.507   9.0521   77.034   10.523   22.612   1.4990   23.778   1.6580 -1.166788 2.235170 
1 1 1   12   12   46 o   9.1381   2.3924   11.863   5.9410   12.869   7.6418   10.325   9.4458   9.5593   2.7979   9.0499   3.1592 0.5093889 4.220060 
1 1 1   12   12   47 o   14.106   1.7113   27.390   6.3509   25.020   8.3685   30.609   9.7524   13.311   2.4303   14.724   2.5589 -1.413328 3.529101 
1 1 1   12   12   48 o   42.939   0.8665  248.317   9.9936  251.764   13.719  244.419   14.587   43.183   1.1828   42.529   1.2770 0.6532784 1.740630 
1 1 1   12   12   49 o   24.291   1.2104   79.720   7.8971   88.434   10.077   65.850   12.714   25.505   1.4773   21.823   2.1990 3.682009 2.649139 
1 1 1   12   12   50 o   23.136   1.4316   72.834   8.8526   81.269   10.998   57.317   14.918   24.384   1.6898   20.113   2.8405 4.270523 3.305155 
1 1 1   12   12   51 o   38.299   1.0761  198.202   11.070  203.105   14.314  190.906   17.461   38.694   1.3773   37.403   1.7381 1.290741 2.217591 
1 1 1   12   12   52 o   38.462   1.9377  203.801   19.954  192.349   25.363  222.400   32.324   37.014   2.5671   39.448   3.0750 -2.434635 4.005699 
1 1 1   12   12   53 o   26.228   2.5776   97.618   17.924   91.330   24.881  104.400   25.842   24.551   3.9039   26.384   3.7523 -1.833511 5.414789 
1 1 1   12   12   54 o   11.345   3.9527   18.746   14.783 -13.2800   27.648   31.566   17.493   9.5891   4.4557   14.088   4.2605 -4.498583 6.164834 
1 1 1   12   12   55 o   33.412   1.9289  155.765   17.237  173.800   30.135  146.996   21.013   34.079   3.3351   32.084   2.4571 1.994934 4.142483 
1 1 1   13    0  -60 o   8.0810   4.8298   14.403   18.601   14.403   18.601   14.403   18.601   8.0810   4.8298   8.0810   4.8298 0.000000 0.000000 
1 1 1   13    0  -59 o   4.8414   3.4020 -15.3281   17.073 -15.3281   17.073 -15.3281   17.073   4.8414   3.4020   4.8414   3.4020 0.000000 0.000000 
1 1 1   13    0  -58 o   8.1566   3.9568   14.226   10.139   14.226   10.139   14.226   10.139   8.1566   3.9568   8.1566   3.9568 -0.000000 0.000000 
1 1 1   13    0  -57 o   4.6432   3.0505  -0.9537   9.5956  -0.9537   9.5956  -0.9537   9.5956   4.6432   3.0505   4.6432   3.0505 0.000000 0.000000 
1 1 1   13    0  -56 o   44.029   1.2893  262.654   15.217  262.654   15.217  262.654   15.217   44.029   1.2893   44.029   1.2893 0.000000 0.000000 
1 1 1   13    0  -55 o   13.592   3.4121   29.744   10.774   29.744   10.774   29.744   10.774   13.592   3.4121   13.592   3.4121 -0.000000 0.000000 
1 1 1   13    0  -54 o   39.640   1.2907  212.722   13.709  212.722   13.709  212.722   13.709   39.640   1.2907   39.640   1.2907 0.000000 0.000000 
1 1 1   13    0  -53 o   22.042   2.0756   67.707   12.038   67.707   12.038   67.707   12.038   22.042   2.0756   22.042   2.0756 -0.000000 0.000000 
1 1 1   13    0  -52 o   3.1113   2.2231 -12.5520   8.4189 -12.5520   8.4189 -12.5520   8.4189   3.1113   2.2231   3.1113   2.2231 -0.000000 0.000000 
1 1 1   13    0  -51 o   5.3820   3.2675   3.8681   8.7855   3.8681   8.7855   3.8681   8.7855   5.3820   3.2675   5.3820   3.2675 -0.000000 0.000000 
1 1 1   13    0  -50 o   8.6674   3.7259   14.713   8.8927   14.713   8.8927   14.713   8.8927   8.6674   3.7259   8.6674   3.7259 0.000000 0.000000 
1 1 1   13    0  -49 o   15.988   2.1381   36.417   8.7208   36.417   8.7208   36.417   8.7208   15.988   2.1381   15.988   2.1381 0.000000 0.000000 
1 1 1   13    0  -48 o   38.648   1.2416  201.767   12.858  201.767   12.858  201.767   12.858   38.648   1.2416   38.648   1.2416 0.000000 0.000000 
1 1 1   13    0  -47 o   73.130   1.3879  721.221   27.240  721.221   27.240  721.221   27.240   73.130   1.3879   73.130   1.3879 0.000000 0.000000 
1 1 1   13    0  -46 o   39.451   1.3234  210.249   13.987  210.249   13.987  210.249   13.987   39.451   1.3234   39.451   1.3234 0.000000 0.000000 
1 1 1   13    0  -45 o   49.823   1.1175  334.417   14.938  334.417   14.938  334.417   14.938   49.823   1.1175   49.823   1.1175 0.000000 0.000000 
1 1 1   13    0  -44 o   76.076   1.4155  779.951   28.901  779.951   28.901  779.951   28.901   76.076   1.4155   76.076   1.4155 -0.000000 0.000000 
1 1 1   13    0  -43 o   10.307   3.2327   18.035   7.8554   18.035   7.8554   18.035   7.8554   10.307   3.2327   10.307   3.2327 0.000000 0.000000 
1 1 1   13    0  -42 o   52.465   1.1018  370.590   15.510  370.590   15.510  370.590   15.510   52.465   1.1018   52.465   1.1018 0.000000 0.000000 
1 1 1   13    0  -41 o  120.592   1.8865  1960.30   61.071  1960.30   61.071  1960.30   61.071  120.592   1.8865  120.592   1.8865 -0.000000 0.000000 
1 1 1   13    0  -40 o   99.591   1.3358  1334.41   35.717  1334.41   35.717  1334.41   35.717   99.591   1.3358   99.591   1.3358 -0.000000 0.000000 
1 1 1   13    0  -39 o   47.582   1.2000  304.903   15.314  304.903   15.314  304.903   15.314   47.582   1.2000   47.582   1.2000 -0.000000 0.000000 
1 1 1   13    0  -38 o   75.960   1.2447  776.142   25.378  776.142   25.378  776.142   25.378   75.960   1.2447   75.960   1.2447 0.000000 0.000000 
1 1 1   13    0  -37 o  116.482   1.4719  1824.86   46.032  1824.86   46.032  1824.86   46.032  116.482   1.4719  116.482   1.4719 0.000000 0.000000 
1 1 1   13    0  -36 o   34.576   1.5841  161.729   14.641  161.729   14.641  161.729   14.641   34.576   1.5841   34.576   1.5841 0.000000 0.000000 
1 1 1   13    0  -35 o   11.522   2.3081   19.859   6.3361   19.859   6.3361   19.859   6.3361   11.522   2.3081   11.522   2.3081 0.000000 0.000000 
1 1 1   13    0  -34 o   30.274   1.0979  123.617   8.9007  123.617   8.9007  123.617   8.9007   30.274   1.0979   30.274   1.0979 0.000000 0.000000 
1 1 1   13    0  -33 o   13.522   1.8531   25.928   6.3716   25.928   6.3716   25.928   6.3716   13.522   1.8531   13.522   1.8531 0.000000 0.000000 
1 1 1   13    0  -32 o   33.689   1.2196  153.076   11.003  153.076   11.003  153.076   11.003   33.689   1.2196   33.689   1.2196 0.000000 0.000000 
1 1 1   13    0  -31 o  130.328   1.9508  2284.49   68.253  2284.49   68.253  2284.49   68.253  130.328   1.9508  130.328   1.9508 0.000000 0.000000 
1 1 1   13    0  -30 o  189.281   2.1625  4817.49  109.905  4817.49  109.905  4817.49  109.905  189.281   2.1625  189.281   2.1625 0.000000 0.000000 
1 1 1   13    0  -29 o   11.103   2.1240   18.272   5.6626   18.272   5.6626   18.272   5.6626   11.103   2.1240   11.103   2.1240 -0.000000 0.000000 
1 1 1   13    0  -28 o   5.4697   2.7750   5.8958   5.0912   5.8958   5.0912   5.8958   5.0912   5.4697   2.7750   5.4697   2.7750 0.000000 0.000000 
1 1 1   13    0  -27 o   52.313   0.9995  367.962   14.033  367.962   14.033  367.962   14.033   52.313   0.9995   52.313   0.9995 0.000000 0.000000 
1 1 1   13    0  -26 o  242.064   2.7043  7877.97  175.773  7877.97  175.773  7877.97  175.773  242.064   2.7043  242.064   2.7043 -0.000000 0.000000 
1 1 1   13    0  -25 o  207.131   2.3404  5766.81  130.169  5766.81  130.169  5766.81  130.169  207.131   2.3404  207.131   2.3404 0.000000 0.000000 
1 1 1   13    0  -24 o  145.048   1.7128  2827.27   66.708  2827.27   66.708  2827.27   66.708  145.048   1.7128  145.048   1.7128 -0.000000 0.000000 
1 1 1   13    0  -23 o   56.066   1.0684  422.644   16.075  422.644   16.075  422.644   16.075   56.066   1.0684   56.066   1.0684 -0.000000 0.000000 
1 1 1   13    0  -22 o  192.714   3.1028  4994.67  160.513  4994.67  160.513  4994.67  160.513  192.714   3.1028  192.714   3.1028 0.000000 0.000000 
1 1 1   13    0  -21 o   41.697   1.5365  234.481   17.155  234.481   17.155  234.481   17.155   41.697   1.5365   41.697   1.5365 0.000000 0.000000 
1 1 1   13    0  -20 o  336.688   4.5385 15250.38  410.255 15250.38  410.255 15250.38  410.255  336.688   4.5385  336.688   4.5385 -0.000000 0.000000 
1 1 1   13    0  -19 o  360.521   4.8490 17487.65  469.350 17487.65  469.350 17487.65  469.350  360.521   4.8490  360.521   4.8490 0.000000 0.000000 
1 1 1   13    0  -18 o   78.986   1.6002  838.990   33.918  838.990   33.918  838.990   33.918   78.986   1.6002   78.986   1.6002 0.000000 0.000000 
1 1 1   13    0  -17 o  117.202   2.5075  1847.88   78.855  1847.88   78.855  1847.88   78.855  117.202   2.5075  117.202   2.5075 0.000000 0.000000 
1 1 1   13    0  -16 o  465.432   6.2243 29164.25  777.795 29164.25  777.795 29164.25  777.795  465.432   6.2243  465.432   6.2243 -0.000000 0.000000 
1 1 1   13    0  -15 o  338.441   6.4569 15429.96  586.467 15429.96  586.467 15429.96  586.467  338.441   6.4569  338.441   6.4569 -0.000000 0.000000 
1 1 1   13    0  -14 o  283.815   4.4465 10835.11  338.771 10835.11  338.771 10835.11  338.771  283.815   4.4465  283.815   4.4465 0.000000 0.000000 
1 1 1   13    0  -13 o  360.994   4.8498 17527.07  470.040 17527.07  470.040 17527.07  470.040  360.994   4.8498  360.994   4.8498 -0.000000 0.000000 
1 1 1   13    0  -12 o  141.920   2.0591  2707.01   78.454  2707.01   78.454  2707.01   78.454  141.920   2.0591  141.920   2.0591 0.000000 0.000000 
1 1 1   13    0  -11 o  371.531   4.9864 18562.82  497.386 18562.82  497.386 18562.82  497.386  371.531   4.9864  371.531   4.9864 -0.000000 0.000000 
1 1 1   13    0  -10 o   30.946   1.6961  129.773   14.001  129.773   14.001  129.773   14.001   30.946   1.6961   30.946   1.6961 -0.000000 0.000000 
1 1 1   13    0   -9 o  206.415   2.3254  5724.99  128.884  5724.99  128.884  5724.99  128.884  206.415   2.3254  206.415   2.3254 -0.000000 0.000000 
1 1 1   13    0   -8 o  158.099   1.8294  3358.37   77.662  3358.37   77.662  3358.37   77.662  158.099   1.8294  158.099   1.8294 -0.000000 0.000000 
1 1 1   13    0   -7 o  305.473   3.3628 12539.37  275.834 12539.37  275.834 12539.37  275.834  305.473   3.3628  305.473   3.3628 -0.000000 0.000000 
1 1 1   13    0   -6 o  415.327   4.5330 23183.86  505.537 23183.86  505.537 23183.86  505.537  415.327   4.5330  415.327   4.5330 0.000000 0.000000 
1 1 1   13    0   -5 o  124.743   1.8426  2091.25   61.706  2091.25   61.706  2091.25   61.706  124.743   1.8426  124.743   1.8426 0.000000 0.000000 
1 1 1   13    0   -4 o  290.399   3.2026 11331.67  249.727 11331.67  249.727 11331.67  249.727  290.399   3.2026  290.399   3.2026 0.000000 0.000000 
1 1 1   13    0   -3 o   61.852   1.0852  514.255   18.015  514.255   18.015  514.255   18.015   61.852   1.0852   61.852   1.0852 0.000000 0.000000 
1 1 1   13    0   -2 o   77.940   1.5595  816.819   32.616  816.819   32.616  816.819   32.616   77.940   1.5595   77.940   1.5595 0.000000 0.000000 
1 1 1   13    0   -1 o  637.109   6.9151 54575.58  1183.01 54575.58  1183.01 54575.58  1183.01  637.109   6.9151  637.109   6.9151 -0.000000 0.000000 
1 1 1   13    0    0 o  284.412   3.4417 10870.18  262.825 10870.18  262.825 10870.18  262.825  284.412   3.4417  284.412   3.4417 0.000000 0.000000 
1 1 1   13    0    1 o  1140.36   15.166 175422.80  4643.25 175422.80  4643.25 175422.80  4643.25  1140.36   15.166  1140.36   15.166 -0.000000 0.000000 
1 1 1   13    0    2 o  164.304   2.0724  3627.42   91.424  3627.42   91.424  3627.42   91.424  164.304   2.0724  164.304   2.0724 -0.000000 0.000000 
1 1 1   13    0    3 o  369.700   4.0456 18367.28  401.614 18367.28  401.614 18367.28  401.614  369.700   4.0456  369.700   4.0456 0.000000 0.000000 
1 1 1   13    0    4 o  256.037   2.8408  8808.32  195.303  8808.32  195.303  8808.32  195.303  256.037   2.8408  256.037   2.8408 -0.000000 0.000000 
1 1 1   13    0    5 o  312.738   3.4397 13142.66  288.855 13142.66  288.855 13142.66  288.855  312.738   3.4397  312.738   3.4397 -0.000000 0.000000 
1 1 1   13    0    6 o  146.074   2.4192  2868.28   94.856  2868.28   94.856  2868.28   94.856  146.074   2.4192  146.074   2.4192 -0.000000 0.000000 
1 1 1   13    0    7 o  225.043   3.0844  6806.63  186.359  6806.63  186.359  6806.63  186.359  225.043   3.0844  225.043   3.0844 -0.000000 0.000000 
1 1 1   13    0    8 o  252.649   3.0742  8578.12  208.542  8578.12  208.542  8578.12  208.542  252.649   3.0742  252.649   3.0742 -0.000000 0.000000 
1 1 1   13    0    9 o  269.628   2.9850  9769.11  216.111  9769.11  216.111  9769.11  216.111  269.628   2.9850  269.628   2.9850 0.000000 0.000000 
1 1 1   13    0   10 o  211.741   2.3793  6024.34  135.277  6024.34  135.277  6024.34  135.277  211.741   2.3793  211.741   2.3793 -0.000000 0.000000 
1 1 1   13    0   11 o  245.487   2.7319  8098.22  180.078  8098.22  180.078  8098.22  180.078  245.487   2.7319  245.487   2.7319 0.000000 0.000000 
1 1 1   13    0   12 o  588.473   6.3984 46593.18  1011.05 46593.18  1011.05 46593.18  1011.05  588.473   6.3984  588.473   6.3984 0.000000 0.000000 
1 1 1   13    0   13 o   75.710   1.8868  771.326   38.314  771.326   38.314  771.326   38.314   75.710   1.8868   75.710   1.8868 0.000000 0.000000 
1 1 1   13    0   14 o  434.262   5.1944 25367.19  605.674 25367.19  605.674 25367.19  605.674  434.262   5.1944  434.262   5.1944 -0.000000 0.000000 
1 1 1   13    0   15 o  205.331   2.8351  5667.40  156.291  5667.40  156.291  5667.40  156.291  205.331   2.8351  205.331   2.8351 0.000000 0.000000 
1 1 1   13    0   16 o  341.939   4.1133 15722.32  377.650 15722.32  377.650 15722.32  377.650  341.939   4.1133  341.939   4.1133 0.000000 0.000000 
1 1 1   13    0   17 o  337.128   4.0569 15283.22  367.230 15283.22  367.230 15283.22  367.230  337.128   4.0569  337.128   4.0569 0.000000 0.000000 
1 1 1   13    0   18 o   32.215   0.9954  139.782   8.5941  139.782   8.5941  139.782   8.5941   32.215   0.9954   32.215   0.9954 0.000000 0.000000 
1 1 1   13    0   19 o  280.432   3.1033 10570.87  233.678 10570.87  233.678 10570.87  233.678  280.432   3.1033  280.432   3.1033 0.000000 0.000000 
1 1 1   13    0   20 o  338.785   3.7230 15432.06  338.682 15432.06  338.682 15432.06  338.682  338.785   3.7230  338.785   3.7230 0.000000 0.000000 
1 1 1   13    0   21 o   22.042   1.3065   65.942   7.6730   65.942   7.6730   65.942   7.6730   22.042   1.3065   22.042   1.3065 0.000000 0.000000 
1 1 1   13    0   22 o  128.703   1.7014  2226.14   58.790  2226.14   58.790  2226.14   58.790  128.703   1.7014  128.703   1.7014 0.000000 0.000000 
1 1 1   13    0   23 o  101.451   1.3123  1383.09   35.746  1383.09   35.746  1383.09   35.746  101.451   1.3123  101.451   1.3123 0.000000 0.000000 
1 1 1   13    0   24 o  386.596   4.2365 20107.96  439.779 20107.96  439.779 20107.96  439.779  386.596   4.2365  386.596   4.2365 0.000000 0.000000 
1 1 1   13    0   25 o  118.332   1.4662  1881.71   46.585  1881.71   46.585  1881.71   46.585  118.332   1.4662  118.332   1.4662 0.000000 0.000000 
1 1 1   13    0   26 o   88.883   1.5097  1062.12   36.017  1062.12   36.017  1062.12   36.017   88.883   1.5097   88.883   1.5097 0.000000 0.000000 
1 1 1   13    0   27 o  115.073   1.7739  1780.23   54.796  1780.23   54.796  1780.23   54.796  115.073   1.7739  115.073   1.7739 0.000000 0.000000 
1 1 1   13    0   28 o   30.495   1.5446  125.885   12.578  125.885   12.578  125.885   12.578   30.495   1.5446   30.495   1.5446 -0.000000 0.000000 
1 1 1   13    0   29 o  216.962   2.6818  6331.71  156.224  6331.71  156.224  6331.71  156.224  216.962   2.6818  216.962   2.6818 -0.000000 0.000000 
1 1 1   13    0   30 o   9.9610   3.2847   17.064   7.8051   17.064   7.8051   17.064   7.8051   9.9610   3.2847   9.9610   3.2847 -0.000000 0.000000 
1 1 1   13    0   31 o   72.386   1.5378  704.982   29.868  704.982   29.868  704.982   29.868   72.386   1.5378   72.386   1.5378 0.000000 0.000000 
1 1 1   13    0   32 o  134.758   1.6309  2441.53   59.012  2441.53   59.012  2441.53   59.012  134.758   1.6309  134.758   1.6309 0.000000 0.000000 
1 1 1   13    0   33 o   43.632   1.0578  256.201   12.380  256.201   12.380  256.201   12.380   43.632   1.0578   43.632   1.0578 0.000000 0.000000 
1 1 1   13    0   34 o   3.5364   2.4452  -6.4032   7.8934  -6.4032   7.8934  -6.4032   7.8934   3.5364   2.4452   3.5364   2.4452 -0.000000 0.000000 
1 1 1   13    0   35 o   23.041   1.5522   72.325   9.5060   72.325   9.5060   72.325   9.5060   23.041   1.5522   23.041   1.5522 0.000000 0.000000 
1 1 1   13    0   36 o   4.3401   2.7228   1.2967   6.5988   1.2967   6.5988   1.2967   6.5988   4.3401   2.7228   4.3401   2.7228 0.000000 0.000000 
1 1 1   13    0   37 o  107.452   1.3944  1552.78   40.228  1552.78   40.228  1552.78   40.228  107.452   1.3944  107.452   1.3944 0.000000 0.000000 
1 1 1   13    0   38 o   70.442   1.1342  667.354   21.447  667.354   21.447  667.354   21.447   70.442   1.1342   70.442   1.1342 0.000000 0.000000 
1 1 1   13    0   39 o   50.399   1.3831  342.293   18.690  342.293   18.690  342.293   18.690   50.399   1.3831   50.399   1.3831 -0.000000 0.000000 
1 1 1   13    0   40 o   73.084   1.1571  718.537   22.701  718.537   22.701  718.537   22.701   73.084   1.1571   73.084   1.1571 -0.000000 0.000000 
1 1 1   13    0   41 o   6.9373   3.3900   9.5923   7.4650   9.5923   7.4650   9.5923   7.4650   6.9373   3.3900   6.9373   3.3900 0.000000 0.000000 
1 1 1   13    0   42 o   44.987   1.2478  272.835   15.051  272.835   15.051  272.835   15.051   44.987   1.2478   44.987   1.2478 0.000000 0.000000 
1 1 1   13    0   43 o   98.847   1.3516  1315.56   35.871  1315.56   35.871  1315.56   35.871   98.847   1.3516   98.847   1.3516 -0.000000 0.000000 
1 1 1   13    0   44 o   76.214   1.2933  782.342   26.458  782.342   26.458  782.342   26.458   76.214   1.2933   76.214   1.2933 -0.000000 0.000000 
1 1 1   13    0   45 o   62.738   1.3203  530.525   22.227  530.525   22.227  530.525   22.227   62.738   1.3203   62.738   1.3203 0.000000 0.000000 
1 1 1   13    0   46 o   50.945   1.1241  349.697   15.365  349.697   15.365  349.697   15.365   50.945   1.1241   50.945   1.1241 -0.000000 0.000000 
1 1 1   13    0   47 o   13.771   2.6937   28.441   8.8732   28.441   8.8732   28.441   8.8732   13.771   2.6937   13.771   2.6937 0.000000 0.000000 
1 1 1   13    0   48 o   28.426   1.6238  110.083   12.305  110.083   12.305  110.083   12.305   28.426   1.6238   28.426   1.6238 0.000000 0.000000 
1 1 1   13    0   49 o   6.0834   3.4791   6.6264   8.9671   6.6264   8.9671   6.6264   8.9671   6.0834   3.4791   6.0834   3.4791 -0.000000 0.000000 
1 1 1   13    0   50 o   54.034   1.3424  394.452   19.456  394.452   19.456  394.452   19.456   54.034   1.3424   54.034   1.3424 0.000000 0.000000 
1 1 1   13    0   51 o   15.266   2.5606   34.250   9.6115   34.250   9.6115   34.250   9.6115   15.266   2.5606   15.266   2.5606 -0.000000 0.000000 
1 1 1   13    0   52 o   42.007   1.2732  238.645   14.335  238.645   14.335  238.645   14.335   42.007   1.2732   42.007   1.2732 0.000000 0.000000 
1 1 1   13    0   53 o   21.825   1.9333   66.094   11.128   66.094   11.128   66.094   11.128   21.825   1.9333   21.825   1.9333 -0.000000 0.000000 
1 1 1   13    0   54 o   55.374   1.2495  414.296   18.562  414.296   18.562  414.296   18.562   55.374   1.2495   55.374   1.2495 -0.000000 0.000000 
1 1 1   13    0   55 o   44.158   1.4905  264.656   17.632  264.656   17.632  264.656   17.632   44.158   1.4905   44.158   1.4905 0.000000 0.000000 
1 1 1   13    0   56 o   42.344   1.5217  243.847   17.256  243.847   17.256  243.847   17.256   42.344   1.5217   42.344   1.5217 -0.000000 0.000000 
1 1 1   13    0   57 o   8.0968   4.2464   14.027   12.186   14.027   12.186   14.027   12.186   8.0968   4.2464   8.0968   4.2464 0.000000 0.000000 
1 1 1   13    0   58 o   21.533   2.4563   66.661   13.729   66.661   13.729   66.661   13.729   21.533   2.4563   21.533   2.4563 0.000000 0.000000 
1 1 1   13    0   59 o   16.951   3.1534   44.501   12.898   44.501   12.898   44.501   12.898   16.951   3.1534   16.951   3.1534 -0.000000 0.000000 
1 1 1   13    0   60 o   9.0613   4.4036   18.658   12.568   18.658   12.568   18.658   12.568   9.0613   4.4036   9.0613   4.4036 -0.000000 0.000000 
1 1 1   13    0   61 o   7.2326   4.0919   11.960   12.230   11.960   12.230   11.960   12.230   7.2326   4.0919   7.2326   4.0919 0.000000 0.000000 
1 1 1   13    1  -60 o   13.968   4.4503   30.647   18.811   38.450   26.047   22.140   27.197   15.339   5.2519   13.054   5.1876 2.285626 7.381967 
1 1 1   13    1  -59 o   12.744   3.7704   24.426   13.811   45.272   19.771   4.5562   19.302   17.038   4.3155   9.8581   4.1861 7.180237 6.012230 
1 1 1   13    1  -58 o   31.936   1.0941  137.887   9.3853  133.155   12.333  144.400   14.467   31.301   1.4670   32.500   1.6628 -1.199614 2.217411 
1 1 1   13    1  -57 o   15.041   1.8686   31.330   7.3865   34.578   10.590   28.253   10.308   15.604   2.6196   14.011   2.8365 1.593340 3.861088 
1 1 1   13    1  -56 o   16.871   1.6100   38.957   7.2072   40.279   10.263   37.671   10.124   16.995   2.3080   16.411   2.3651 0.5840168 3.304634 
1 1 1   13    1  -55 o   33.141   1.0330  148.043   9.1956  152.572   12.928  143.406   13.083   33.587   1.4330   32.552   1.4963 1.034832 2.071841 
1 1 1   13    1  -54 o   46.601   0.9156  292.410   11.460  291.766   16.354  293.032   16.064   46.486   1.3098   46.592   1.2837 -0.1057091 1.833959 
1 1 1   13    1  -53 o   23.358   1.2730   73.837   7.9564   75.928   10.549   71.078   12.117   23.622   1.6735   22.787   2.0000 0.8352432 2.607830 
1 1 1   13    1  -52 o   20.318   1.5752   56.171   8.5289   76.693   13.171   41.349   11.193   23.657   2.0944   17.223   2.4920 6.433640 3.255226 
1 1 1   13    1  -51 o   34.518   0.9910  160.462   9.1876  150.950   12.889  170.290   13.100   33.428   1.4355   35.514   1.3734 -2.085686 1.986649 
1 1 1   13    1  -50 o   23.771   1.1370   76.151   7.2597   63.899   10.116   89.161   10.424   21.653   1.7545   25.642   1.5203 -3.988600 2.321562 
1 1 1   13    1  -49 o   44.333   0.8258  264.397   9.8326  256.293   13.872  272.577   13.939   43.609   1.1844   44.977   1.1538 -1.368065 1.653494 
1 1 1   13    1  -48 o   34.628   0.8844  161.322   8.2257  153.598   11.582  169.184   11.685   33.757   1.2774   35.433   1.2278 -1.676277 1.771761 
1 1 1   13    1  -47 o   44.863   0.9593  270.809   11.559  260.272   15.698  283.288   17.084   43.943   1.3300   45.838   1.3876 -1.894508 1.922117 
1 1 1   13    1  -46 o   64.275   0.8615  555.601   14.873  551.220   21.176  559.867   20.895   63.975   1.2324   64.478   1.2065 -0.5036316 1.724638 
1 1 1   13    1  -45 o   26.100   0.9753   91.635   6.8369   95.369   9.7963   88.089   9.5464   26.569   1.3775   25.529   1.3975 1.039299 1.962292 
1 1 1   13    1  -44 o   54.704   0.8108  402.326   11.914  404.231   16.511  400.256   17.207   54.806   1.1217   54.531   1.1748 0.2756310 1.624295 
1 1 1   13    1  -43 o   27.673   1.0649  103.021   7.9147   97.978   11.296  107.884   11.093   26.914   1.5695   28.258   1.4665 -1.344439 2.148006 
1 1 1   13    1  -42 o   63.749   0.7888  546.249   13.506  547.781   19.145  544.730   19.056   63.810   1.1170   63.632   1.1150 0.1777649 1.578255 
1 1 1   13    1  -41 o   18.483   1.2147   46.161   5.9965   48.035   8.1829   43.988   8.8128   18.810   1.6359   17.965   1.8530 0.8452644 2.471794 
1 1 1   13    1  -40 o   66.502   0.9837  594.551   17.570  593.562   25.496  595.446   24.246   66.407   1.4295   66.520   1.3570 -0.1126938 1.971015 
1 1 1   13    1  -39 o   15.915   1.2512   34.274   5.3052   36.573   7.5937   32.083   7.4147   16.386   1.7526   15.323   1.8383 1.062979 2.539873 
1 1 1   13    1  -38 o   14.781   1.3553   29.631   5.3205   26.714   7.8701   32.087   7.2204   13.911   2.1777   15.334   1.7867 -1.422453 2.816866 
1 1 1   13    1  -37 o   89.727   1.0208  1082.06   24.602  1112.30   36.875  1057.80   33.027   90.930   1.5098   88.686   1.3865 2.244095 2.049892 
1 1 1   13    1  -36 o   30.837   0.8641  127.767   7.1571  119.342   9.3593  139.631   11.107   29.796   1.1695   32.227   1.2832 -2.430292 1.736130 
1 1 1   13    1  -35 o   47.027   0.7886  297.114   9.9612  306.108   15.666  291.011   12.906   47.720   1.2223   46.535   1.0326 1.185413 1.600044 
1 1 1   13    1  -34 o  136.250   1.1607  2495.00   42.475  2466.58   59.696  2524.15   60.448  135.419   1.6412  136.990   1.6429 -1.571213 2.322210 
1 1 1   13    1  -33 o   64.475   0.7552  558.437   13.078  576.529   18.676  541.032   18.319   65.502   1.0616   63.453   1.0748 2.048931 1.510708 
1 1 1   13    1  -32 o   84.973   0.9376  970.062   21.399  982.822   30.551  957.774   29.981   85.513   1.3302   84.416   1.3223 1.096306 1.875592 
1 1 1   13    1  -31 o   93.445   1.0716  1173.20   26.895  1188.62   38.289  1158.19   37.787   94.035   1.5160   92.824   1.5156 1.211380 2.143679 
1 1 1   13    1  -30 o   67.999   0.9265  621.156   16.921  640.765   21.811  591.510   26.818   69.058   1.1759   66.341   1.5051 2.717377 1.909977 
1 1 1   13    1  -29 o  139.348   1.1755  2608.79   43.997  2625.24   62.430  2592.55   62.014  139.758   1.6631  138.885   1.6624 0.8728790 2.351510 
1 1 1   13    1  -28 o   64.523   0.7736  559.197   13.407  563.909   18.185  553.585   19.845   64.791   1.0450   64.193   1.1510 0.5977631 1.554591 
1 1 1   13    1  -27 o   75.329   0.7836  762.156   15.853  760.745   22.382  763.576   22.458   75.254   1.1073   75.394   1.1091 -0.1398621 1.567224 
1 1 1   13    1  -26 o   90.573   0.8637  1101.86   21.010  1114.10   29.866  1089.87   29.562   91.068   1.2210   90.072   1.2220 0.9955521 1.727449 
1 1 1   13    1  -25 o  102.550   0.9328  1412.54   25.694  1420.43   36.379  1404.69   36.294  102.828   1.3172  102.256   1.3215 0.5716095 1.865824 
1 1 1   13    1  -24 o  266.319   2.0907  9531.77  149.549  9482.36  210.900  9581.75  212.094  265.534   2.9571  266.922   2.9584 -1.387726 4.182858 
1 1 1   13    1  -23 o  302.858   2.5919 12330.12  210.841 12325.06  298.294 12335.17  298.055  302.646   3.6696  302.771   3.6651 -0.1249390 5.186431 
1 1 1   13    1  -22 o  109.775   1.2918  1618.69   38.089  1658.96   51.136  1568.50   57.086  111.122   1.7133  108.043   1.9672 3.079124 2.608656 
1 1 1   13    1  -21 o  152.803   2.2033  3137.55   90.425  3283.23  131.223  3005.82  124.781  156.262   3.1265  149.516   3.1072 6.746063 4.407944 
1 1 1   13    1  -20 o  198.939   2.2595  5318.18  120.734  5152.78  205.029  5405.98  149.381  195.703   3.9005  200.543   2.7733 -4.839966 4.785944 
1 1 1   13    1  -19 o  297.796   2.8491 11920.63  227.887 11939.87  322.824 11901.52  321.741  297.899   4.0346  297.421   4.0276 0.4778442 5.700836 
1 1 1   13    1  -18 o  324.361   3.0918 14143.99  269.361 14396.85  385.188 13902.00  376.819  327.076   4.3846  321.409   4.3650 5.667267 6.186927 
1 1 1   13    1  -17 o  282.927   2.7115 10758.44  206.050 10740.40  291.174 10776.54  291.625  282.580   3.8364  283.055   3.8359 -0.4751587 5.425080 
1 1 1   13    1  -16 o  218.400   2.2736  6409.14  133.370  6399.90  203.415  6416.11  176.634  218.164   3.4714  218.474   3.0101 -0.3101349 4.594719 
1 1 1   13    1  -15 o  249.059   2.4022  8335.25  160.698  8366.15  227.830  8304.66  226.696  249.447   3.4005  248.529   3.3960 0.9180298 4.805875 
1 1 1   13    1  -14 o  325.831   4.3927 14284.30  384.432 14816.35  556.635 13799.09  531.568  331.526   6.2512  319.956   6.1855 11.57065 8.794189 
1 1 1   13    1  -13 o  200.614   2.7807  5408.71  149.835  5250.35  208.129  5579.09  215.882  197.586   3.9218  203.676   3.9462 -6.090088 5.563556 
1 1 1   13    1  -12 o  111.124   1.2047  1658.56   35.956  1620.61   50.277  1698.29   51.442  109.839   1.7042  112.440   1.7034 -2.601570 2.409519 
1 1 1   13    1  -11 o  133.524   1.3833  2394.69   49.609  2382.41   69.958  2407.11   70.360  133.172   1.9558  133.860   1.9570 -0.6885681 2.766778 
1 1 1   13    1  -10 f  151.134   1.5305  3068.02   62.127  3102.50   79.077  3012.42  100.419  151.973   1.9373  149.737   2.4969 2.235779 3.160275 
1 1 1   13    1   -9 o  257.437   2.2127  8903.17  153.000  9052.96  218.589  8759.30  214.225  259.551   3.1356  255.308   3.1240 4.243729 4.426198 
1 1 1   13    1   -8 o  324.509   2.5194 14147.68  219.592 14037.54  308.969 14260.09  312.157  323.181   3.5594  325.733   3.5680 -2.551208 5.039801 
1 1 1   13    1   -7 o   59.902   0.8205  481.898   13.201  464.875   18.349  500.165   19.008   58.833   1.1612   61.025   1.1596 -2.192295 1.641057 
1 1 1   13    1   -6 o  175.163   1.4772  4120.94   69.498  4056.62   93.255  4201.29  104.227  173.782   1.9979  176.850   2.1942 -3.067673 2.967537 
1 1 1   13    1   -5 o  438.472   3.3797 25834.18  398.030 26193.87  567.940 25486.98  557.990  441.386   4.7906  435.392   4.7715 5.994568 6.761452 
1 1 1   13    1   -4 o  238.168   2.0548  7619.32  131.444  7620.18  185.887  7618.47  185.892  238.157   2.9060  238.131   2.9064 0.2667236E-01 4.109965 
1 1 1   13    1   -3 o  362.684   2.8056 17671.61  273.303 17741.02  387.498 17602.90  385.529  363.330   3.9708  361.913   3.9661 1.416748 5.612201 
1 1 1   13    1   -2 o  598.652   4.5950 48174.96  738.844 48341.41  1047.21 48009.98  1042.57  599.400   6.5047  597.343   6.4981 2.057190 9.194383 
1 1 1   13    1   -1 o  204.075   1.8761  5593.82  102.836  5511.92  136.783  5700.31  155.961  202.563   2.5141  205.988   2.8189 -3.425354 3.777160 
1 1 1   13    1    0 o  543.541   4.5748 39712.27  667.880 39810.34  946.002 39614.80  943.056  543.963   6.4749  542.626   6.4706 1.336914 9.153831 
1 1 1   13    1    1 o   60.474   0.7916  491.149   12.858  493.620   19.400  489.213   17.171   60.625   1.1914   60.354   1.0593 0.2708435 1.594201 
1 1 1   13    1    2 o  224.962   1.9476  6797.61  117.680  6813.11  166.609  6782.17  166.241  225.200   2.7545  224.688   2.7546 0.5118713 3.895530 
1 1 1   13    1    3 o  106.292   1.1514  1517.38   32.872  1542.09   46.969  1493.64   46.023  107.151   1.6320  105.455   1.6249 1.696632 2.302947 
1 1 1   13    1    4 o  124.729   1.0617  2089.40   35.568  2094.93   50.395  2083.91   50.208  124.891   1.5023  124.562   1.5007 0.3290176 2.123451 
1 1 1   13    1    5 o   99.398   0.9384  1326.88   25.052  1306.71   36.908  1344.12   34.114   98.637   1.3931  100.039   1.2696 -1.402603 1.884866 
1 1 1   13    1    6 o  133.149   1.4641  2381.16   52.361  2335.69   79.101  2416.62   69.858  131.862   2.2334  134.131   1.9391 -2.269562 2.957727 
1 1 1   13    1    7 o  189.527   1.5870  4824.68   80.785  4837.65  120.035  4813.95  109.224  189.766   2.3550  189.305   2.1481 0.4603119 3.187585 
1 1 1   13    1    8 o   48.536   0.7259  316.371   9.4626  315.665   13.389  317.076   13.375   48.481   1.0282   48.589   1.0249 -0.1081963 1.451766 
1 1 1   13    1    9 o  104.312   1.0186  1461.36   28.537  1452.02   40.254  1470.80   40.462  103.974   1.4414  104.644   1.4396 -0.6701889 2.037192 
1 1 1   13    1   10 f   86.605   0.9012  1007.33   20.963  1012.68   29.637  1001.97   29.656   86.832   1.2707   86.372   1.2784 0.4604492 1.802486 
1 1 1   13    1   11 o  153.113   1.3818  3148.84   56.826  3211.61   90.968  3108.67   72.771  154.614   2.1905  152.126   1.7810 2.488144 2.823190 
1 1 1   13    1   12 o  192.857   1.6143  4996.08   83.618  5022.03  113.518  4965.29  123.637  193.339   2.1860  192.236   2.3945 1.103165 3.242297 
1 1 1   13    1   13 o   86.213   1.0689  998.283   24.752  992.627   37.605  1002.61   32.878   85.963   1.6287   86.396   1.4168 -0.4335480 2.158721 
1 1 1   13    1   14 o  332.421   2.8277 14851.68  252.474 14806.39  325.242 14920.34  400.492  331.828   3.6492  332.994   4.4778 -1.165741 5.776476 
1 1 1   13    1   15 o  164.436   1.6455  3632.24   72.675  3432.24   99.341  3862.54  106.599  159.823   2.3142  169.545   2.3409 -9.721863 3.291656 
1 1 1   13    1   16 o  159.547   1.4329  3419.25   61.403  3418.36   86.811  3420.13   86.864  159.509   2.0263  159.550   2.0270 -0.4138184E-01 2.866077 
1 1 1   13    1   17 o  147.905   1.2277  2938.29   48.772  2957.64   69.221  2919.22   68.730  148.379   1.7369  147.412   1.7359 0.9668427 2.455629 
1 1 1   13    1   18 o   91.162   0.9926  1116.19   24.305  1100.92   32.409  1135.81   36.742   90.533   1.3328   91.954   1.4877 -1.420799 1.997381 
1 1 1   13    1   19 o  131.917   1.1192  2337.34   39.656  2350.84   56.240  2323.99   55.925  132.288   1.5828  131.530   1.5830 0.7578583 2.238612 
1 1 1   13    1   20 o  148.677   1.2357  2969.11   49.347  2987.84   70.022  2950.64   69.556  149.131   1.7481  148.200   1.7474 0.9312286 2.471710 
1 1 1   13    1   21 o  145.944   1.3302  2861.10   52.142  2860.94   73.721  2861.26   73.758  145.924   1.8809  145.932   1.8818 -0.8377075E-02 2.660632 
1 1 1   13    1   22 o  132.498   1.2338  2358.16   43.910  2351.28   61.998  2365.07   62.199  132.292   1.7448  132.679   1.7454 -0.3874054 2.467946 
1 1 1   13    1   23 o  208.665   1.6655  5849.74   93.342  5798.56  131.270  5902.07  132.753  207.708   2.3530  209.553   2.3586 -1.845230 3.331611 
1 1 1   13    1   24 o  218.278   1.7363  6401.69  101.793  6396.24  143.840  6407.16  144.074  218.132   2.4551  218.318   2.4570 -0.1859589 3.473366 
1 1 1   13    1   25 o  160.619   1.3837  3465.83   59.696  3502.05   89.175  3436.41   80.357  161.423   2.0568  159.913   1.8709 1.509369 2.780380 
1 1 1   13    1   26 o   76.046   1.0467  776.806   21.379  825.851   42.174  759.844   24.802   78.387   2.0031   75.208   1.2278 3.178894 2.349478 
1 1 1   13    1   27 o  121.246   1.1038  1974.76   35.947  1978.96   53.291  1971.26   48.694  121.354   1.6349  121.124   1.4968 0.2303925 2.216606 
1 1 1   13    1   28 o   54.411   0.7712  397.656   11.270  391.144   15.044  405.987   17.015   53.961   1.0380   54.973   1.1523 -1.012547 1.550888 
1 1 1   13    1   29 o  164.825   1.4860  3650.84   65.788  3672.16   85.146  3619.25  103.630  165.270   1.9181  164.029   2.3522 1.240082 3.035126 
1 1 1   13    1   30 o   15.006   1.4533   30.545   5.7839   32.751   7.8594   27.940   8.5428   15.487   1.9314   14.229   2.3149 1.258199 3.014857 
1 1 1   13    1   31 o   57.140   0.7411  438.567   11.374  439.246   16.104  437.891   16.067   57.178   1.0486   57.090   1.0478 0.8819580E-01 1.482373 
1 1 1   13    1   32 o   88.856   0.9577  1060.77   22.857  1063.43   32.363  1058.13   32.287   88.949   1.3546   88.727   1.3548 0.2216568 1.915868 
1 1 1   13    1   33 o   70.543   0.8267  668.533   15.664  665.786   21.087  671.915   23.395   70.388   1.1154   70.706   1.2319 -0.3182831 1.661855 
1 1 1   13    1   34 o   44.711   0.7958  268.567   9.5563  274.549   13.543  262.635   13.487   45.198   1.1156   44.206   1.1359 0.9921761 1.592061 
1 1 1   13    1   35 o   72.515   0.8392  706.499   16.345  696.934   24.227  714.490   22.145   72.003   1.2527   72.911   1.1308 -0.9078751 1.687602 
1 1 1   13    1   36 o   36.563   0.8263  179.621   8.1151  167.614   11.830  190.295   11.153   35.310   1.2473   37.627   1.1036 -2.317570 1.665460 
1 1 1   13    1   37 o  128.679   1.1184  2225.81   38.654  2229.74   54.719  2221.89   54.613  128.733   1.5825  128.506   1.5823 0.2268829 2.237849 
1 1 1   13    1   38 o   43.325   0.7689  252.200   8.9474  256.120   12.627  248.248   12.680   43.649   1.0771   42.973   1.0986 0.6768188 1.538484 
1 1 1   13    1   39 o   67.955   0.8010  620.549   14.620  615.496   20.649  625.628   20.702   67.657   1.1363   68.212   1.1299 -0.5551071 1.602486 
1 1 1   13    1   40 o   5.7164   2.2564   2.4252   5.1135   5.4317   7.2230  -0.5956   7.2401   7.3103   2.7329   5.8944   2.5348 1.415857 3.727401 
1 1 1   13    1   41 o   28.126   1.0133  106.374   7.6551   98.832   10.645  114.453   11.017   27.051   1.4706   29.157   1.4068 -2.105467 2.035092 
1 1 1   13    1   42 o   5.2887   2.2697  -0.3855   5.7846   7.7659   9.2076  -5.7004   7.4350   8.4389   3.0984   5.1052   2.3503 3.333645 3.888944 
1 1 1   13    1   43 o   72.225   0.8568  701.340   16.622  690.041   24.117  711.564   22.941   71.594   1.2542   72.713   1.1746 -1.118858 1.718347 
1 1 1   13    1   44 o   37.422   0.8479  188.295   8.5225  181.392   11.035  198.500   13.417   36.714   1.1190   38.392   1.3011 -1.678314 1.716138 
1 1 1   13    1   45 o   36.602   0.8546  180.148   8.4012  168.915   10.617  198.959   13.740   35.426   1.1158   38.430   1.3311 -3.003944 1.736932 
1 1 1   13    1   46 o   50.229   0.8837  339.327   11.923  325.285   18.673  348.991   15.492   49.122   1.4153   50.915   1.1328 -1.793148 1.812788 
1 1 1   13    1   47 o   26.976   1.0378   97.944   7.5191   90.230   12.001  102.929   9.6475   25.782   1.7433   27.637   1.2997 -1.854435 2.174445 
1 1 1   13    1   48 o   39.460   0.9530  209.541   10.101  215.635   13.016  200.313   16.016   40.004   1.2113   38.516   1.5482 1.487965 1.965781 
1 1 1   13    1   49 o   35.452   1.0272  169.238   9.7812  183.960   12.586  146.788   15.542   36.936   1.2687   32.886   1.7661 4.050526 2.174506 
1 1 1   13    1   50 o   63.565   1.0414  544.219   17.779  555.772   28.488  536.848   22.754   64.093   1.6548   63.072   1.3432 1.021259 2.131352 
1 1 1   13    1   51 o   5.8494   2.4564   0.7508   6.5288  -3.3674   9.0117   5.3001   9.4717   6.0909   2.7159   7.8741   3.0824 -1.783174 4.108203 
1 1 1   13    1   52 o   75.958   0.9536  776.890   19.456  781.061   27.550  772.741   27.480   76.061   1.3485   75.653   1.3524 0.4073105 1.909835 
1 1 1   13    1   53 o   32.708   1.0022  144.102   8.8046  142.833   12.380  145.400   12.525   32.516   1.4175   32.806   1.4214 -0.2903252 2.007420 
1 1 1   13    1   54 o   14.663   2.0982   29.836   8.0276   32.856   11.824   27.254   10.934   15.181   3.0062   13.793   3.0338 1.387205 4.270956 
1 1 1   13    1   55 o   20.124   1.4689   55.074   7.8847   53.457   11.077   56.735   11.226   19.689   2.1286   20.299   2.0887 -0.6108074 2.982210 
1 1 1   13    1   56 o   42.621   1.0226  244.968   11.706  246.848   15.989  242.796   17.185   42.709   1.3939   42.329   1.5116 0.3803749 2.056149 
1 1 1   13    1   57 o   22.242   1.7800   67.836   10.545   56.978   15.939   76.287   14.061   19.959   3.0718   23.453   2.2602 -3.493855 3.813689 
1 1 1   13    1   58 o   51.359   1.1325  356.770   15.623  356.878   21.433  356.647   22.820   51.204   1.5584   51.141   1.6613 0.6322861E-01 2.277856 
1 1 1   13    1   59 o   32.017   1.3337  139.273   11.470  137.265   17.224  140.874   15.374   31.479   2.0483   32.004   1.7958 -0.5249004 2.724006 
1 1 1   13    1   60 o   16.866   2.0917   40.017   9.2725   25.211   13.008   55.313   13.221   12.859   3.6153   19.666   2.5640 -6.806837 4.432232 
1 1 1   13    2  -60 o   20.087   3.7329   61.640   19.399   54.270   27.012   69.490   27.876   17.821   5.2729   20.336   5.1098 -2.514706 7.342614 
1 1 1   13    2  -59 o   11.796   4.0632   20.037   15.600   12.590   18.675   37.230   28.375   10.830   4.3004   15.321   5.4641 -4.490575 6.953368 
1 1 1   13    2  -58 o   19.282   2.3112   52.179   11.731   62.457   16.542   41.779   16.640   20.813   3.0495   16.645   3.8050 4.168840 4.876243 
1 1 1   13    2  -57 o   21.467   1.3400   62.683   7.6876   66.049   10.877   59.324   10.867   21.910   1.8661   20.726   1.9760 1.183983 2.717912 
1 1 1   13    2  -56 o   32.376   1.0104  141.378   8.7865  145.235   12.403  137.493   12.449   32.748   1.4102   31.854   1.4550 0.8934746 2.026240 
1 1 1   13    2  -55 o   16.645   1.6295   37.915   7.1915   51.425   9.9157   22.923   10.446   19.344   1.9344   12.603   3.1059 6.741725 3.659006 
1 1 1   13    2  -54 o   25.261   1.1609   86.076   7.8764   85.203   11.205   86.929   11.073   25.019   1.6772   25.280   1.6397 -0.2608089 2.345596 
1 1 1   13    2  -53 o   18.354   1.5440   45.886   7.5408   56.769   11.178   36.797   10.215   20.325   2.0767   16.242   2.4152 4.083387 3.185251 
1 1 1   13    2  -52 o   17.838   1.7223   43.497   8.1489   36.056   12.606   48.837   10.680   15.916   3.0600   18.824   2.1511 -2.907156 3.740442 
1 1 1   13    2  -51 o   41.112   0.9825  227.624   10.849  212.550   15.197  243.293   15.494   39.666   1.4264   42.449   1.3589 -2.783291 1.970124 
1 1 1   13    2  -50 o   43.384   0.8432  253.270   9.8256  262.286   14.068  244.684   13.729   44.106   1.1876   42.598   1.1999 1.507477 1.688221 
1 1 1   13    2  -49 o   43.683   0.8894  256.795   10.436  248.528   15.821  263.163   13.884   42.912   1.3726   44.187   1.1699 -1.275318 1.803512 
1 1 1   13    2  -48 o   17.450   1.5608   41.456   7.2384   55.553   10.370   28.062   10.108   20.158   1.9393   14.093   2.7692 6.064794 3.380736 
1 1 1   13    2  -47 o   24.578   1.0667   81.325   7.0416   83.368   9.8751   79.212   10.044   24.812   1.4887   24.174   1.5551 0.6379204 2.152818 
1 1 1   13    2  -46 o   57.400   0.8359  443.082   12.887  444.411   17.378  441.457   19.208   57.453   1.1262   57.245   1.2492 0.2078400 1.681898 
1 1 1   13    2  -45 o   22.703   1.0955   69.370   6.6799   68.881   9.5458   69.839   9.3510   22.540   1.5869   22.703   1.5426 -0.1628170 2.213130 
1 1 1   13    2  -44 o   36.777   0.8542  181.868   8.4374  176.919   13.024  185.447   11.076   36.240   1.3380   37.121   1.1109 -0.8808708 1.739078 
1 1 1   13    2  -43 o   30.374   0.9446  124.081   7.7065  118.179   11.726  128.570   10.225   29.612   1.4743   30.903   1.2319 -1.290823 1.921190 
1 1 1   13    2  -42 o   46.317   0.9118  288.460   11.343  287.820   16.333  289.056   15.766   46.235   1.3152   46.338   1.2667 -0.1034851 1.826056 
1 1 1   13    2  -41 o   17.888   1.1678   43.232   5.5798   51.268   7.9742   35.523   7.8102   19.447   1.5392   16.124   1.8361 3.322767 2.395959 
1 1 1   13    2  -40 o   22.941   0.9687   70.756   5.9690   67.804   8.4533   73.691   8.4297   22.399   1.4123   23.361   1.3492 -0.9619427 1.953225 
1 1 1   13    2  -39 o   37.189   0.7908  185.859   7.8988  189.866   11.155  181.828   11.187   37.577   1.1052   36.772   1.1327 0.8052330 1.582531 
1 1 1   13    2  -38 o   35.305   0.8821  167.514   8.3646  158.537   11.669  177.002   11.997   34.334   1.2653   36.279   1.2311 -1.945824 1.765453 
1 1 1   13    2  -37 o   14.954   1.3990   30.342   5.5540   34.485   7.6485   25.721   8.0783   15.900   1.8240   13.628   2.2881 2.272261 2.926172 
1 1 1   13    2  -36 o   62.212   0.8107  520.024   13.547  515.610   19.006  524.582   19.313   61.933   1.1426   62.469   1.1511 -0.5360947 1.621849 
1 1 1   13    2  -35 o  112.875   1.0590  1712.30   32.107  1690.82   43.280  1738.57   47.879  112.130   1.4371  113.687   1.5680 -1.557495 2.126894 
1 1 1   13    2  -34 o   12.530   1.4274   21.383   4.7181   18.993   7.0854   23.287   6.3240   11.666   2.3426   13.024   1.8608 -1.357445 2.991714 
1 1 1   13    2  -33 o   24.976   0.9899   83.818   6.6407   92.786   9.4431   75.045   9.3404   26.238   1.3445   23.578   1.4825 2.659410 2.001339 
1 1 1   13    2  -32 o   80.372   0.8598  867.821   18.562  851.782   24.819  888.180   27.962   79.614   1.1606   81.291   1.2807 -1.677261 1.728349 
1 1 1   13    2  -31 o   38.425   0.7737  198.337   7.9849  213.751   12.370  187.326   10.455   39.884   1.1547   37.339   1.0425 2.544498 1.555679 
1 1 1   13    2  -30 o   96.816   1.0399  1259.31   27.042  1253.85   36.442  1266.00   40.343   96.589   1.4047   97.048   1.5477 -0.4590149 2.090099 
1 1 1   13    2  -29 o  102.547   0.9388  1412.65   25.858  1417.35   36.588  1407.95   36.550  102.703   1.3264  102.361   1.3294 0.3413773 1.877941 
1 1 1   13    2  -28 o  114.017   1.0094  1746.35   30.910  1755.25   43.836  1737.55   43.593  114.291   1.4280  113.713   1.4273 0.5777130 2.018998 
1 1 1   13    2  -27 o   98.401   0.9102  1300.63   24.056  1318.59   34.200  1283.05   33.844   99.068   1.2853   97.724   1.2894 1.344437 1.820587 
1 1 1   13    2  -26 o  138.571   1.1683  2579.52   43.483  2604.75   61.780  2554.76   61.212  139.226   1.6521  137.883   1.6528 1.342453 2.336940 
1 1 1   13    2  -25 o  118.119   1.0308  1874.11   32.703  1846.23   45.869  1902.94   46.640  117.225   1.4568  119.012   1.4591 -1.786484 2.061829 
1 1 1   13    2  -24 o   94.172   1.0689  1191.23   27.036  1151.99   37.939  1231.72   38.537   92.599   1.5254   95.750   1.4985 -3.151138 2.138301 
1 1 1   13    2  -23 o   80.991   1.0777  881.078   23.444  879.199   36.313  882.421   30.699   80.894   1.6713   81.047   1.4103 -0.1532898 2.186814 
1 1 1   13    2  -22 o  164.143   2.0891  3620.62   92.103  3809.72  122.622  3375.84  139.514  168.338   2.7120  158.423   3.2787 9.914581 4.255024 
1 1 1   13    2  -21 o   88.229   1.0567  1045.56   25.041  1030.91   35.062  1060.81   35.775   87.602   1.4901   88.863   1.4989 -1.260750 2.113557 
1 1 1   13    2  -20 o  208.421   2.8889  5839.91  161.719  6100.44  234.985  5605.48  222.904  212.905   4.1093  204.089   4.0664 8.815155 5.781113 
1 1 1   13    2  -19 o   26.283   1.2397   92.788   8.7514   99.371   15.609   89.770   10.569   27.108   2.1618   25.805   1.5317 1.302902 2.649409 
1 1 1   13    2  -18 o  200.937   1.9728  5424.72  106.473  5344.19  149.185  5508.33  152.007  199.396   2.7856  202.434   2.7957 -3.038269 3.946553 
1 1 1   13    2  -17 o  146.954   1.5024  2900.91   59.301  2950.00   84.640  2853.58   83.109  148.174   2.1267  145.732   2.1232 2.441681 3.005194 
1 1 1   13    2  -16 o  323.898   3.0868 14103.38  268.537 14136.27  380.372 14070.69  379.170  324.108   4.3694  323.356   4.3658 0.7521362 6.176727 
1 1 1   13    2  -15 o  126.951   1.3342  2164.80   45.495  2136.44   63.811  2194.12   64.883  126.105   1.8839  127.796   1.8903 -1.690979 2.668766 
1 1 1   13    2  -14 o  192.970   1.8993  5002.67   98.440  5002.52  139.101  5002.82  139.329  192.931   2.6843  192.936   2.6887 -0.5508423E-02 3.799275 
1 1 1   13    2  -13 o  243.893   3.3316  7997.13  218.245  8214.62  313.934  7793.70  303.615  247.051   4.7311  240.642   4.6974 6.409042 6.667001 
1 1 1   13    2  -12 o   94.113   1.7573  1189.84   44.421  1153.00   75.694  1209.19   54.862   92.617   3.0428   94.868   2.1531 -2.250916 3.727541 
1 1 1   13    2  -11 o  120.085   1.1347  1936.81   36.597  1946.48   47.257  1922.31   57.846  120.379   1.4616  119.624   1.8004 0.7556381 2.318955 
1 1 1   13    2  -10 o  145.847   1.2630  2857.05   49.477  2812.84   72.790  2895.02   67.456  144.703   1.8729  146.805   1.7107 -2.102051 2.536579 
1 1 1   13    2   -9 o  235.887   1.8589  7474.63  117.773  7352.73  164.863  7601.67  168.303  233.924   2.6240  237.850   2.6345 -3.926331 3.718289 
1 1 1   13    2   -8 o  150.798   1.2420  3054.25   50.305  3006.18   70.456  3104.25   71.850  149.598   1.7535  152.019   1.7597 -2.420380 2.484171 
1 1 1   13    2   -7 o  373.682   2.8900 18763.63  290.063 18506.34  406.560 19030.36  413.963  371.005   4.0799  376.219   4.0966 -5.214233 5.781728 
1 1 1   13    2   -6 o  517.477   3.9799 35999.01  553.160 35823.59  779.554 36176.91  785.049  515.951   5.6253  518.487   5.6372 -2.535828 7.963828 
1 1 1   13    2   -5 o  377.708   3.0511 19170.11  309.529 19131.25  458.178 19202.74  419.815  377.196   4.5225  377.939   4.1357 -0.7431335 6.128317 
1 1 1   13    2   -4 o  247.314   1.9432  8215.89  129.077  8289.89  183.597  8143.57  181.506  248.397   2.7519  246.195   2.7449 2.201599 3.886772 
1 1 1   13    2   -3 o  298.560   2.5480 11975.30  204.323 11905.91  287.876 12045.74  290.050  297.639   3.6010  299.381   3.6071 -1.742401 5.096889 
1 1 1   13    2   -2 o  367.029   2.8394 18099.09  279.914 18131.69  396.209 18066.61  395.508  367.276   4.0164  366.617   4.0165 0.6597595 5.680154 
1 1 1   13    2   -1 o  227.018   1.9644  6922.70  119.781  6864.78  168.526  6981.84  170.281  226.043   2.7758  227.962   2.7811 -1.918915 3.929282 
1 1 1   13    2    0 o   77.938   0.8482  815.783   17.756  816.764   25.131  814.806   25.091   77.983   1.1998   77.890   1.1994 0.9356689E-01 1.696481 
1 1 1   13    2    1 o  176.632   1.4257  4190.36   67.639  4157.03   95.217  4224.31   96.101  175.919   2.0152  177.337   2.0176 -1.417862 2.851606 
1 1 1   13    2    2 o  254.722   1.9978  8715.51  136.684  8743.32  193.697  8687.93  192.908  255.100   2.8270  254.291   2.8244 0.8091736 3.996120 
1 1 1   13    2    3 o  110.337   1.1164  1635.06   33.084  1690.76   50.567  1593.37   43.746  112.195   1.6780  108.918   1.4954 3.277466 2.247643 
1 1 1   13    2    4 o  278.693   2.5128 10434.60  188.094 10464.56  252.856 10397.50  281.445  279.051   3.3736  278.132   3.7675 0.9186401 5.057192 
1 1 1   13    2    5 o  213.430   1.8546  6118.78  106.314  6090.55  149.932  6147.32  150.772  212.915   2.6218  213.904   2.6243 -0.9900208 3.709523 
1 1 1   13    2    6 o  252.846   1.9846  8587.83  134.777  8580.22  190.508  8595.45  190.699  252.701   2.8068  252.925   2.8071 -0.2241211 3.969666 
1 1 1   13    2    7 o  200.160   1.6688  5381.45   89.714  5501.48  134.918  5286.32  120.118  202.356   2.4823  198.367   2.2545 3.989075 3.353307 
1 1 1   13    2    8 o  319.259   2.7179 13695.70  233.057 13608.77  328.210 13784.11  330.991  318.158   3.8408  320.200   3.8486 -2.042328 5.437199 
1 1 1   13    2    9 o   68.442   1.0400  629.144   19.118  636.279   27.172  622.148   26.905   68.826   1.4698   68.058   1.4718 0.7685699 2.080080 
1 1 1   13    2   10 o  191.609   1.6829  4931.71   86.609  4867.15  121.459  4998.49  123.535  190.328   2.3759  192.879   2.3846 -2.550644 3.366209 
1 1 1   13    2   11 o  373.035   3.0156 18703.31  302.141 18605.47  446.694 18785.83  410.216  371.875   4.4722  373.729   4.0866 -1.853851 6.058136 
1 1 1   13    2   12 o  191.877   1.5383  4945.46   79.279  4964.53  112.299  4926.52  111.937  192.225   2.1751  191.488   2.1764 0.7373962 3.076972 
1 1 1   13    2   13 o  292.135   2.2795 11467.05  178.864 11579.24  254.574 11357.67  251.361  293.486   3.2295  290.665   3.2197 2.820679 4.560263 
1 1 1   13    2   14 o  100.574   0.9507  1358.55   25.683  1340.23   37.774  1374.30   35.023   99.888   1.4079  101.151   1.2891 -1.263046 1.908960 
1 1 1   13    2   15 o  181.030   1.7901  4402.61   87.040  4378.17  109.705  4444.12  142.993  180.509   2.2627  181.830   2.9279 -1.321182 3.700357 
1 1 1   13    2   16 o  318.156   2.5854 13603.60  220.933 13646.42  328.336 13568.18  298.661  318.518   3.8379  317.646   3.5006 0.8721924 5.194573 
1 1 1   13    2   17 o  110.459   0.9758  1638.73   28.952  1624.91   40.744  1652.83   41.146  109.986   1.3792  110.927   1.3810 -0.9408340 1.951794 
1 1 1   13    2   18 o   39.792   0.7014  212.656   7.4968  209.176   10.148  216.836   11.123   39.464   0.9574   40.180   1.0307 -0.7157364 1.406726 
1 1 1   13    2   19 o  194.891   1.7126  5102.68   89.650  5091.43  126.625  5113.98  126.944  194.642   2.4221  195.072   2.4228 -0.4305878 3.425881 
1 1 1   13    2   20 o  177.993   1.5774  4256.04   75.410  4240.47  106.413  4271.74  106.881  177.639   2.2303  178.293   2.2319 -0.6537781 3.155240 
1 1 1   13    2   21 o  135.777   1.3203  2476.36   48.150  2509.94   72.670  2450.09   64.288  136.674   1.9796  135.042   1.7724 1.632431 2.657129 
1 1 1   13    2   22 o  197.720   1.6572  5252.16   88.009  5354.55  132.172  5170.59  117.964  199.589   2.4655  196.146   2.2391 3.443085 3.330541 
1 1 1   13    2   23 o  322.359   2.7493 13972.29  238.044 13811.00  373.579 14082.55  308.868  320.202   4.3438  323.496   3.5548 -3.294128 5.612907 
1 1 1   13    2   24 o  257.708   2.1173  8926.17  146.556  8984.25  218.292  8878.51  197.749  258.421   3.1450  256.935   2.8655 1.486877 4.254639 
1 1 1   13    2   25 o   30.441   0.8103  124.465   6.6253  120.199   9.3738  128.723   9.3654   29.913   1.1667   30.956   1.1264 -1.042759 1.621717 
1 1 1   13    2   26 o  188.333   1.5209  4765.82   76.937  4707.66  107.952  4825.86  109.678  187.133   2.1478  189.466   2.1552 -2.333893 3.042698 
1 1 1   13    2   27 o  148.179   1.2385  2949.88   49.293  2933.16   69.448  2966.84   69.977  147.730   1.7503  148.576   1.7535 -0.8454895 2.477558 
1 1 1   13    2   28 o  155.887   1.2935  3265.06   54.157  3268.59   76.605  3261.52   76.574  155.934   1.8290  155.765   1.8303 0.1687927 2.587531 
1 1 1   13    2   29 o   96.828   1.0602  1259.58   27.572  1261.94   36.897  1256.60   41.491   96.904   1.4176   96.690   1.5976 0.2140503 2.135898 
1 1 1   13    2   30 o  130.013   1.2942  2271.51   45.194  2272.44   55.235  2269.63   78.609  130.019   1.5817  129.874   2.2535 0.1447296 2.753151 
1 1 1   13    2   31 o  104.172   1.0497  1458.07   29.370  1438.31   37.643  1488.80   46.955  103.448   1.3548  105.226   1.6614 -1.778709 2.143718 
1 1 1   13    2   32 o   36.630   0.8134  180.254   8.0025  178.197   11.873  181.966   10.833   36.413   1.2139   36.799   1.0960 -0.3855743 1.635521 
1 1 1   13    2   33 o  139.286   1.2926  2607.86   48.357  2573.69   67.841  2643.16   68.947  138.307   1.8262  140.160   1.8315 -1.853287 2.586375 
1 1 1   13    2   34 o  126.791   1.2783  2161.09   43.533  2171.30   65.307  2152.92   58.401  127.011   1.9144  126.500   1.7189 0.5110855 2.572799 
1 1 1   13    2   35 o   86.052   0.8658  994.956   20.011  999.451   28.347  990.491   28.253   86.225   1.2240   85.838   1.2254 0.3874512 1.732019 
1 1 1   13    2   36 o   62.946   0.8121  532.353   13.731  525.466   20.397  538.061   18.568   62.519   1.2147   63.270   1.0926 -0.7512856 1.633783 
1 1 1   13    2   37 o   93.785   0.9505  1182.06   23.942  1161.64   35.292  1199.48   32.588   92.930   1.4139   94.445   1.2847 -1.514824 1.910380 
1 1 1   13    2   38 o   55.266   0.7675  410.398   11.392  418.483   16.214  402.516   16.010   55.793   1.0820   54.718   1.0893 1.075085 1.535369 
1 1 1   13    2   39 o   54.444   0.7784  398.320   11.383  402.623   16.137  394.059   16.058   54.720   1.0980   54.135   1.1044 0.5854912 1.557308 
1 1 1   13    2   40 o   7.7988   2.3013   8.3418   5.1513   14.961   7.5109   2.4635   7.0782   10.321   2.6842   6.4971   2.6242 3.823498 3.753890 
1 1 1   13    2   41 o   41.772   0.8814  234.583   9.8896  228.374   15.455  238.888   12.869   41.183   1.3972   42.139   1.1370 -0.9560089 1.801405 
1 1 1   13    2   42 o   34.237   0.8540  157.592   7.8536  152.561   11.001  162.823   11.216   33.667   1.2165   34.782   1.2005 -1.114902 1.709159 
1 1 1   13    2   43 o   24.786   0.9320   82.622   6.2047   79.002   8.1785   87.530   9.5237   24.190   1.2631   25.451   1.3985 -1.261116 1.884526 
1 1 1   13    2   44 o   15.228   1.4190   31.519   5.7372   28.112   7.4804   36.386   8.9408   14.282   2.0053   16.267   2.0950 -1.985447 2.900003 
1 1 1   13    2   45 o   41.473   0.8936  231.331   9.9546  237.047   13.361  224.198   14.924   41.959   1.1856   40.789   1.3622 1.169865 1.805889 
1 1 1   13    2   46 o   27.158   1.1678   99.319   8.5184  113.138   11.370   81.636   12.862   28.926   1.4682   24.483   1.9726 4.443144 2.458990 
1 1 1   13    2   47 o   59.628   0.9048  478.341   14.491  488.026   21.201  469.850   19.851   60.170   1.3119   59.049   1.2516 1.121216 1.813155 
1 1 1   13    2   48 o   18.809   1.2702   47.909   6.3793   57.139   9.9418   41.449   8.3174   20.466   1.8279   17.409   1.8050 3.056540 2.568859 
1 1 1   13    2   49 o   43.746   1.0083  257.690   11.847  256.142   16.105  259.515   17.489   43.564   1.3764   43.832   1.4855 -0.2679024 2.025109 
1 1 1   13    2   50 o   18.121   1.5820   44.740   7.6224   43.991   11.852   45.268   9.9544   17.765   2.5576   18.135   2.0813 -0.3704548 3.297459 
1 1 1   13    2   51 o   56.332   0.8958  427.153   13.554  437.052   20.342  419.250   18.176   56.900   1.3310   55.754   1.2137 1.146736 1.801330 
1 1 1   13    2   52 o   5.6300   2.4770  -1.8308   7.2534   11.588   11.367 -11.0475   9.4207   9.7331   3.4597   5.2615   2.4933 4.471614 4.264526 
1 1 1   13    2   53 o   48.799   0.9433  320.671   12.364  323.264   16.524  317.372   18.637   48.945   1.2570   48.462   1.4318 0.4826508 1.905285 
1 1 1   13    2   54 o   5.3385   2.3779  -2.5393   6.8888  -5.8210   9.9113   0.5276   9.5816   6.0730   2.7647   6.9393   2.9481 -0.8663492 4.041593 
1 1 1   13    2   55 o   29.520   1.1133  117.559   8.8269  118.391   12.489  116.728   12.478   29.516   1.5811   29.305   1.5912 0.2110176 2.243171 
1 1 1   13    2   56 o   42.161   1.1022  239.946   12.482  245.751   17.073  233.281   18.293   42.576   1.4929   41.441   1.6435 1.135365 2.220358 
1 1 1   13    2   57 o   8.1880   3.0945   7.2108   9.3141   8.4810   12.352   5.5366   14.181   9.1399   3.5361   9.0181   3.6876 0.1217623 5.109022 
1 1 1   13    2   58 o   21.154   1.8523   61.762   10.418   62.723   16.669   61.146   13.346   20.850   3.0683   20.848   2.4289 0.1235962E-02 3.913346 
1 1 1   13    2   59 o   5.5586   2.5765  -6.9484   9.1584   1.6753   12.184 -18.1478   13.885   7.7913   3.3176   6.0838   2.9221 1.707565 4.420993 
1 1 1   13    2   60 o   7.8754   3.0915   6.1063   9.5492   9.5625   14.760   3.6182   12.523   9.6107   3.8209   8.1390   3.4092 1.471638 5.120696 
1 1 1   13    3  -60 o   11.760   4.8194   15.480   24.287   0.0000   0.0000   15.480   24.287  ?   ?    11.760   4.8194 0.000000 4.819415 
1 1 1   13    3  -59 o   9.0853   3.9450   1.2918   17.882   27.450   24.284 -29.6900   26.429   13.600   5.0254   8.3857   4.0287 5.214658 6.440917 
1 1 1   13    3  -58 f   18.497   2.2310   48.026   10.860   70.632   15.401   25.669   15.316   22.315   2.6194   13.050   3.9950 9.264954 4.777181 
1 1 1   13    3  -57 o   11.557   2.6942   19.347   8.2087   10.146   11.796   27.986   11.430   9.3493   3.4930   13.814   3.1505 -4.464492 4.703874 
1 1 1   13    3  -56 o   14.619   1.9021   29.645   7.2919   26.947   10.518   32.141   10.118   13.650   2.9545   15.043   2.5983 -1.392755 3.934474 
1 1 1   13    3  -55 o   32.650   1.0124  143.735   8.8781  137.259   12.505  150.316   12.607   31.837   1.4624   33.327   1.4084 -1.489922 2.030295 
1 1 1   13    3  -54 o   11.516   2.3806   18.800   7.1203   20.504   10.520   17.359   9.6725   11.940   3.2107   11.033   3.1231 0.9075336 4.479099 
1 1 1   13    3  -53 o   34.748   1.0385  162.706   9.6922  142.092   13.596  184.005   13.820   32.403   1.5622   36.902   1.3943 -4.499332 2.093974 
1 1 1   13    3  -52 o   50.751   0.9662  346.884   13.170  352.552   18.651  341.247   18.600   51.094   1.3591   50.264   1.3777 0.8297234 1.935276 
1 1 1   13    3  -51 o   33.623   0.9447  152.232   8.5312  147.442   12.046  157.051   12.084   33.043   1.3573   34.108   1.3191 -1.064926 1.892636 
1 1 1   13    3  -50 o   10.799   2.6489   16.605   7.6252   21.927   12.566   13.502   9.5933   12.398   3.5761   9.9596   3.1786 2.438580 4.784565 
1 1 1   13    3  -49 o   29.764   1.1465  119.407   9.1653  118.742   12.804  120.105   13.125   29.585   1.6174   29.749   1.6491 -0.1637573 2.309891 
1 1 1   13    3  -48 o   7.6150   2.4617   7.6880   5.7401   4.3367   8.0667   11.126   8.1697   7.2469   2.8425   9.1116   2.9360 -1.864632 4.086517 
1 1 1   13    3  -47 f   18.772   1.2716   47.716   6.3735   48.299   8.9285   47.111   9.1008   18.812   1.7886   18.567   1.8496 0.2453575 2.572905 
1 1 1   13    3  -46 o   41.600   0.8857  232.791   9.8964  223.791   12.852  245.901   15.512   40.763   1.1738   42.709   1.3522 -1.946110 1.790650 
1 1 1   13    3  -45 o   24.204   1.0301   78.838   6.6970   71.553   9.2761   86.768   9.6786   22.983   1.5111   25.329   1.4285 -2.345921 2.079464 
1 1 1   13    3  -44 o   45.431   0.8729  277.561   10.651  283.698   14.520  270.410   15.672   45.904   1.1777   44.804   1.3023 1.100407 1.755859 
1 1 1   13    3  -43 o   33.810   0.9036  153.732   8.2061  159.059   12.560  149.765   10.840   34.361   1.3609   33.353   1.2100 1.008053 1.821052 
1 1 1   13    3  -42 o   33.113   0.8318  147.416   7.3977  145.596   10.531  149.189   10.395   32.889   1.1921   33.294   1.1624 -0.4052315 1.664989 
1 1 1   13    3  -41 o   69.110   0.8685  642.129   16.121  655.178   21.310  624.667   24.651   69.782   1.1369   68.112   1.3475 1.669975 1.763031 
1 1 1   13    3  -40 o   39.240   0.7762  206.949   8.1809  204.178   11.446  209.844   11.697   38.962   1.0938   39.498   1.1026 -0.5363770 1.553065 
1 1 1   13    3  -39 o   71.095   0.8399  679.344   16.038  674.274   23.869  683.516   21.655   70.794   1.2553   71.290   1.1309 -0.4955444 1.689603 
1 1 1   13    3  -38 o   76.450   0.8609  785.489   17.678  797.648   23.938  770.903   26.218   77.017   1.1572   75.703   1.2894 1.314240 1.732546 
1 1 1   13    3  -37 o   45.734   0.7426  281.025   9.1216  287.488   12.780  274.313   13.023   46.246   1.0289   45.173   1.0733 1.073971 1.486850 
1 1 1   13    3  -36 o   35.422   0.8659  168.598   8.2379  171.089   11.274  165.745   12.066   35.673   1.1767   35.108   1.2796 0.5649529 1.738361 
1 1 1   13    3  -35 o   50.216   0.8165  338.806   11.013  336.289   14.732  341.996   16.581   50.020   1.0965   50.437   1.2240 -0.4173813 1.643348 
1 1 1   13    3  -34 o   70.066   0.9569  659.692   18.008  670.972   29.812  653.211   22.596   70.627   1.5716   69.709   1.2069 0.9180222 1.981498 
1 1 1   13    3  -33 o   52.917   0.8445  376.221   12.003  362.818   17.185  388.990   16.773   51.954   1.2315   53.797   1.1608 -1.843956 1.692334 
1 1 1   13    3  -32 o   43.890   0.7058  258.774   8.3200  262.149   11.750  255.380   11.782   44.170   0.9904   43.596   1.0062 0.5743294 1.411905 
1 1 1   13    3  -31 o   43.360   0.7091  252.552   8.2579  251.931   11.656  253.178   11.701   43.302   1.0022   43.409   1.0036 -0.1069870 1.418301 
1 1 1   13    3  -30 o   71.252   0.8383  682.012   16.044  698.301   25.183  670.885   20.814   72.083   1.3007   70.661   1.0967 1.421761 1.701358 
1 1 1   13    3  -29 o   50.049   0.7577  336.472   10.185  333.731   13.359  340.277   15.739   49.841   0.9979   50.324   1.1644 -0.4830322 1.533557 
1 1 1   13    3  -28 o   55.092   0.8052  407.685   11.914  389.883   15.829  430.955   18.097   53.871   1.0940   56.635   1.1897 -2.764484 1.616212 
1 1 1   13    3  -27 o  120.468   1.0918  1949.62   35.325  1936.65   47.762  1965.27   52.487  120.049   1.4813  120.926   1.6160 -0.8764572 2.192153 
1 1 1   13    3  -26 f   42.664   0.7070  244.479   8.1021  238.444   11.721  250.002   11.212   42.131   1.0358   43.141   0.9676 -1.009705 1.417436 
1 1 1   13    3  -25 o  126.938   1.1943  2164.62   40.720  2172.93   57.964  2156.54   57.218  127.161   1.6971  126.681   1.6816 0.4796829 2.389153 
1 1 1   13    3  -24 o  179.522   1.5970  4330.27   77.004  4332.20  122.141  4329.01   99.204  179.493   2.5335  179.465   2.0580 0.2738953E-01 3.264076 
1 1 1   13    3  -23 o  177.621   1.6697  4239.05   79.656  4273.81  120.194  4211.82  106.371  178.292   2.5099  177.015   2.2373 1.277191 3.362300 
1 1 1   13    3  -22 o  117.535   1.2700  1855.73   40.094  1835.11   56.380  1876.82   57.028  116.866   1.7962  118.186   1.7965 -1.320496 2.540412 
1 1 1   13    3  -21 o  115.079   1.2492  1778.92   38.613  1768.58   54.381  1789.44   54.835  114.731   1.7647  115.406   1.7690 -0.6745605 2.498738 
1 1 1   13    3  -20 o   45.419   0.8932  277.063   10.896  264.661   15.171  290.275   15.659   44.388   1.2725   46.486   1.2541 -2.098465 1.786632 
1 1 1   13    3  -19 o  225.529   3.1039  6839.26  188.017  6819.34  265.281  6859.38  266.516  225.060   4.3885  225.719   4.3961 -0.6587219 6.211617 
1 1 1   13    3  -18 o  260.481   2.8979  9121.42  202.746  8974.44  347.326  9197.39  249.704  258.109   5.0100  261.496   3.5552 -3.386017 6.143313 
1 1 1   13    3  -17 o  358.440   3.4064 17277.77  327.947 17228.53  463.051 17327.32  464.525  357.685   4.8199  358.708   4.8214 -1.023712 6.817434 
1 1 1   13    3  -16 o  174.502   1.7387  4090.85   81.494  4125.40  115.773  4056.92  114.735  175.208   2.4601  173.747   2.4586 1.460266 3.478071 
1 1 1   13    3  -15 o  233.100   2.2590  7301.12  141.430  7315.77  200.252  7286.53  199.773  233.268   3.1962  232.801   3.1949 0.4665375 4.519191 
1 1 1   13    3  -14 f  102.295   1.1409  1405.50   31.346  1434.56   44.734  1377.47   43.938  103.340   1.6117  101.262   1.6155 2.077148 2.281922 
1 1 1   13    3  -13 o   25.403   0.8599   86.666   5.8670   86.405   7.2874   87.147   9.8909   25.364   1.0697   25.429   1.4542 -0.6578064E-01 1.805239 
1 1 1   13    3  -12 o  105.038   1.4635  1482.01   41.290  1529.35   54.146  1416.24   63.827  106.695   1.8894  102.664   2.3147 4.030800 2.987942 
1 1 1   13    3  -11 f   76.093   1.0765  777.681   22.002  855.407   32.472  711.710   29.917   79.801   1.5150   72.790   1.5302 7.010834 2.153316 
1 1 1   13    3  -10 o  202.717   1.7694  5520.47   96.339  5503.99  175.561  5527.57  115.239  202.343   3.2303  202.835   2.1153 -0.4914551 3.861278 
1 1 1   13    3   -9 o  299.577   2.3334 12058.59  187.757 12108.17  291.736 12023.54  245.313  300.086   3.6195  299.087   3.0537 0.9984131 4.735642 
1 1 1   13    3   -8 o  214.612   1.7026  6187.00   98.143  6315.99  154.051  6098.87  127.327  216.799   2.6455  213.059   2.2250 3.739822 3.456810 
1 1 1   13    3   -7 o  202.626   1.6145  5514.99   87.864  5551.48  136.754  5489.34  114.663  203.264   2.5049  202.138   2.1119 1.125519 3.276393 
1 1 1   13    3   -6 o  276.023   2.1568 10235.59  159.900 10154.76  246.475 10294.34  210.118  274.860   3.3386  276.777   2.8264 -1.917328 4.374388 
1 1 1   13    3   -5 o   28.170   1.0508  106.578   7.9504  107.527   9.6051  104.514   14.169   28.294   1.2639   27.828   1.9071 0.4667130 2.287928 
1 1 1   13    3   -4 o   69.843   0.7336  655.130   13.762  692.273   21.954  631.086   17.664   71.794   1.1385   68.549   0.9594 3.245216 1.488850 
1 1 1   13    3   -3 o  165.735   1.3484  3689.30   60.022  3729.50   93.607  3661.24   78.219  166.620   2.0917  165.095   1.7639 1.524445 2.736158 
1 1 1   13    3   -2 o  219.068   1.9010  6446.60  111.854  6444.03  158.147  6449.17  158.223  218.997   2.6886  219.085   2.6888 -0.8735657E-01 3.802440 
1 1 1   13    3   -1 o  250.490   1.9672  8428.62  132.355  8630.75  208.178  8291.49  171.472  253.428   3.0584  248.421   2.5699 5.007584 3.994724 
1 1 1   13    3    0 o  174.223   1.4091  4076.93   65.941  4212.61  104.179  3986.24   85.175  177.082   2.1904  172.266   1.8408 4.815292 2.861180 
1 1 1   13    3    1 o  228.246   1.8026  6997.85  110.510  7048.93  171.981  6961.92  144.228  229.042   2.7956  227.641   2.3589 1.400574 3.657815 
1 1 1   13    3    2 o  209.776   1.6674  5910.96   93.950  5806.98  143.852  5988.29  124.064  207.895   2.5762  211.129   2.1878 -3.234207 3.379819 
1 1 1   13    3    3 o   66.104   0.7878  586.860   13.988  593.823   22.324  582.359   17.948   66.493   1.2500   65.849   1.0148 0.6437454 1.610058 
1 1 1   13    3    4 o  119.270   1.2567  1910.61   40.260  1896.61   56.792  1924.76   57.081  118.825   1.7794  119.703   1.7754 -0.8784866 2.513636 
1 1 1   13    3    5 o   46.993   0.7986  296.588   10.080  304.918   14.452  288.697   14.067   47.647   1.1293   46.363   1.1296 1.284710 1.597312 
1 1 1   13    3    6 o  254.706   2.0890  8715.44  142.910  8782.57  212.705  8660.21  192.947  255.631   3.0979  253.860   2.8298 1.770905 4.195813 
1 1 1   13    3    7 o  241.564   2.0843  7839.39  135.232  7886.75  247.910  7819.33  161.352  242.189   3.8111  241.236   2.4902 0.9538422 4.552536 
1 1 1   13    3    8 o   26.614   0.8131   95.128   5.8123   96.075   9.3670   94.536   7.4117   26.745   1.3040   26.531   1.0401 0.2143383 1.667982 
1 1 1   13    3    9 o  120.948   1.0882  1964.75   35.351  1972.17   58.672  1960.53   44.294  121.164   1.8029  120.814   1.3650 0.3503036 2.261314 
1 1 1   13    3   10 o  119.414   1.1882  1915.28   38.111  1954.75   57.995  1885.28   50.561  120.628   1.7900  118.469   1.5890 2.158806 2.393527 
1 1 1   13    3   11 f  116.695   1.1099  1829.01   34.787  1840.58   55.201  1821.38   44.804  117.052   1.7558  116.446   1.4325 0.6060944 2.266024 
1 1 1   13    3   12 o  175.618   1.4853  4142.85   70.063  4083.51  103.009  4193.94   95.575  174.332   2.1999  176.680   2.0140 -2.348465 2.982604 
1 1 1   13    3   13 o  205.290   1.7101  5661.53   94.293  5717.24  140.708  5616.12  127.037  206.259   2.5399  204.439   2.3135 1.820267 3.435611 
1 1 1   13    3   14 f  106.723   1.1576  1529.83   33.182  1533.19   46.960  1526.48   46.893  106.833   1.6366  106.599   1.6378 0.2341995 2.315347 
1 1 1   13    3   15 o  155.205   1.4740  3235.78   61.447  3259.55   82.925  3206.84   91.505  155.759   1.9822  154.487   2.2053 1.272430 2.965162 
1 1 1   13    3   16 o  280.302   2.4018 10558.43  180.822 10587.63  233.775 10514.95  285.291  280.628   3.1015  279.587   3.7991 1.041199 4.904334 
1 1 1   13    3   17 o  129.173   1.1508  2241.15   39.927  2303.15   60.137  2192.28   53.393  130.935   1.7100  127.748   1.5561 3.186562 2.312027 
1 1 1   13    3   18 o  145.744   1.2693  2853.19   49.688  2805.84   72.896  2894.28   67.909  144.513   1.8780  146.778   1.7226 -2.264938 2.548379 
1 1 1   13    3   19 o  129.579   1.1557  2255.31   40.223  2227.32   59.271  2279.21   54.763  128.759   1.7139  130.254   1.5653 -1.495132 2.321102 
1 1 1   13    3   20 o  177.356   1.7580  4226.10   83.747  4182.92  135.783  4252.62  106.393  176.385   2.8661  177.889   2.2267 -1.503265 3.629453 
1 1 1   13    3   21 o  278.906   2.2805 10454.77  170.835 10526.02  254.395 10396.26  230.556  279.725   3.3860  278.035   3.0873 1.689697 4.582201 
1 1 1   13    3   22 o  101.280   0.9295  1377.76   25.286  1409.47   36.197  1347.54   35.339  102.432   1.3157  100.156   1.3137 2.275711 1.859224 
1 1 1   13    3   23 o  122.693   1.1673  2022.14   38.467  2038.65   61.116  2011.30   49.503  123.171   1.8474  122.354   1.5063 0.8164444 2.383666 
1 1 1   13    3   24 o  107.905   0.9722  1563.96   28.176  1566.94   39.879  1560.99   39.815  107.998   1.3748  107.792   1.3752 0.2053299 1.944542 
1 1 1   13    3   25 o  157.371   1.3009  3327.17   54.989  3263.27   76.872  3394.13   78.693  155.824   1.8367  158.917   1.8436 -3.093292 2.602402 
1 1 1   13    3   26 f  234.415   1.8567  7385.91  116.898  7248.73  163.334  7529.96  167.377  232.129   2.6197  236.587   2.6340 -4.457932 3.714949 
1 1 1   13    3   27 o   76.099   1.0292  777.951   21.037  784.054   38.743  775.399   25.051   76.370   1.8888   75.969   1.2277 0.4005356 2.252720 
1 1 1   13    3   28 o   99.903   1.0706  1340.85   28.728  1337.90   38.380  1344.61   43.321   99.778   1.4321  100.020   1.6126 -0.2411880 2.156721 
1 1 1   13    3   29 o   58.356   0.8561  457.458   13.418  453.236   17.912  462.855   20.255   58.080   1.1482   58.689   1.2849 -0.6094437 1.723219 
1 1 1   13    3   30 o   93.770   0.9413  1181.28   23.706  1193.67   32.077  1166.37   35.191   94.246   1.2672   93.154   1.4065 1.091278 1.893125 
1 1 1   13    3   31 o   18.380   1.2310   45.604   6.0421   43.758   7.6448   48.677   9.8621   17.969   1.6008   18.919   1.9697 -0.9500103 2.538173 
1 1 1   13    3   32 o   93.456   0.9757  1173.56   24.491  1211.11   32.295  1122.75   37.571   94.923   1.2667   91.376   1.5308 3.546410 1.986942 
1 1 1   13    3   33 o  145.779   1.3412  2857.10   52.514  2861.42   74.292  2852.79   74.242  145.811   1.8970  145.590   1.8986 0.2201843 2.683837 
1 1 1   13    3   34 o   73.708   0.8106  729.930   16.048  730.923   22.657  728.931   22.734   73.743   1.1439   73.642   1.1494 0.1008530 1.621600 
1 1 1   13    3   35 o   32.172   0.8193  139.071   7.0800  137.666   9.9041  140.539   10.125   32.002   1.1523   32.334   1.1658 -0.3317757 1.639156 
1 1 1   13    3   36 o  120.558   1.0659  1953.63   34.514  1961.44   48.875  1945.85   48.747  120.746   1.5070  120.265   1.5091 0.4811249 2.132723 
1 1 1   13    3   37 o   94.120   0.9549  1190.61   24.139  1215.28   36.137  1170.74   32.438   95.045   1.4156   93.300   1.2944 1.744614 1.918171 
1 1 1   13    3   38 o   28.880   0.9072  112.101   7.0373   97.778   10.257  124.838   9.6730   26.919   1.4238   30.468   1.1820 -3.549349 1.850471 
1 1 1   13    3   39 o   28.503   1.0210  109.230   7.8163   86.873   13.278  121.086   9.6690   25.303   1.9693   30.003   1.1999 -4.700203 2.306033 
1 1 1   13    3   40 o   60.603   0.9101  493.757   14.814  498.915   21.694  489.250   20.278   60.882   1.3266   60.297   1.2521 0.5851173 1.824192 
1 1 1   13    3   41 o   27.709   0.9415  103.240   7.0071  112.768   10.034   94.170   9.7897   28.943   1.2908   26.408   1.3850 2.534864 1.893245 
1 1 1   13    3   42 o   39.289   0.8230  207.522   8.6846  211.470   12.237  203.516   12.327   39.640   1.1493   38.886   1.1803 0.7548141 1.647425 
1 1 1   13    3   43 o   53.983   0.8692  391.861   12.602  392.247   15.500  391.107   21.644   53.992   1.0689   53.863   1.4961 0.1287231 1.838689 
1 1 1   13    3   44 o   48.480   0.8274  316.024   10.773  312.082   13.529  322.857   17.811   48.159   1.0459   48.950   1.3547 -0.7915840 1.711476 
1 1 1   13    3   45 o   60.426   0.8630  491.067   14.007  476.738   18.457  510.527   21.508   59.504   1.1548   61.556   1.3009 -2.051289 1.739525 
1 1 1   13    3   46 o   61.033   0.8230  500.973   13.491  502.845   19.192  499.145   18.968   61.103   1.1694   60.879   1.1600 0.2238197 1.647166 
1 1 1   13    3   47 f   40.059   0.9174  215.925   9.8712  210.580   13.023  223.142   15.133   39.530   1.2266   40.673   1.3853 -1.142685 1.850266 
1 1 1   13    3   48 o   28.179   1.0685  106.946   8.0871  109.109   12.240  105.270   10.774   28.365   1.6133   27.887   1.4433 0.4777164 2.164676 
1 1 1   13    3   49 o   39.717   0.9258  212.343   9.8764  218.589   15.150  207.726   13.024   40.235   1.4019   39.246   1.2356 0.9887848 1.868675 
1 1 1   13    3   50 o   75.748   0.9233  772.477   18.785  768.406   25.342  777.441   27.987   75.471   1.2502   75.878   1.3732 -0.4068832 1.857080 
1 1 1   13    3   51 o   41.714   1.0618  234.474   11.896  231.782   18.665  236.315   15.438   41.369   1.6798   41.830   1.3740 -0.4606819 2.170214 
1 1 1   13    3   52 o   10.754   2.8205   16.481   8.2474   15.508   11.928   17.371   11.416   10.746   3.5530   11.162   3.4545 -0.4159288 4.955537 
1 1 1   13    3   53 o   14.884   1.9004   30.562   7.4239   18.700   10.591   42.023   10.410   11.459   3.2764   17.406   2.2816 -5.946565 3.992574 
1 1 1   13    3   54 o   40.978   0.9492  226.208   10.447  218.802   15.022  233.147   14.539   40.230   1.3902   41.545   1.3030 -1.314610 1.905349 
1 1 1   13    3   55 o   27.910   1.1656  105.169   8.7376  118.545   12.158   90.879   12.566   29.535   1.5379   25.784   1.8264 3.751442 2.387603 
1 1 1   13    3   56 o   50.402   0.9961  342.717   13.484  339.521   19.173  345.846   18.968   50.047   1.4263   50.520   1.3979 -0.4732361 1.997132 
1 1 1   13    3   57 o   43.727   1.1359  258.592   13.341  254.290   19.222  262.591   18.531   43.192   1.6570   43.924   1.5707 -0.7321968 2.283121 
1 1 1   13    3   58 f   13.264   2.7737   25.612   9.5638   29.828   12.695   20.080   14.542   14.131   3.3887   11.782   3.9244 2.348837 5.184984 
1 1 1   13    3   59 o   13.464   2.7134   26.478   9.4732   21.802   14.224   30.205   12.700   12.058   3.8727   14.144   3.3876 -2.085755 5.145297 
1 1 1   13    3   60 o   6.5693   2.8455  -0.0671   9.2582  -7.7887   12.075   10.946   14.421   6.4321   2.9733   9.7568   3.8079 -3.324703 4.831172 
1 1 1   13    4  -59 o   15.443   4.3881   38.290   19.057   22.380   26.110   56.430   27.880   12.914   5.0984   18.121   5.3556 -5.206556 7.394318 
1 1 1   13    4  -58 o   13.593   3.8373   28.227   14.623 -13.8100   26.365   46.903   17.574   9.4550   4.3786   17.531   3.8385 -8.076015 5.822941 
1 1 1   13    4  -57 o   10.147   3.4001   14.254   10.915   6.3479   15.611   21.816   15.267   9.4049   3.8601   12.246   4.0183 -2.841248 5.571942 
1 1 1   13    4  -56 o   37.721   1.0804  192.213   10.946  184.952   15.594  199.264   15.368   36.881   1.5742   38.305   1.4937 -1.423923 2.170130 
1 1 1   13    4  -55 o   11.067   2.5344   17.540   7.3714   12.666   10.830   21.747   10.061   9.8346   3.3857   12.250   3.0654 -2.415064 4.567253 
1 1 1   13    4  -54 f   21.774   1.4013   64.391   8.1514   71.212   11.790   58.143   11.283   22.789   1.9447   20.546   2.0729 2.243486 2.842298 
1 1 1   13    4  -53 o   48.565   0.8664  317.531   11.301  322.442   15.952  312.583   16.012   48.880   1.2151   48.122   1.2388 0.7576904 1.735257 
1 1 1   13    4  -52 o   12.413   2.3385   21.704   7.5104   26.091   10.291   16.704   10.986   13.512   2.9206   10.948   3.3889 2.564643 4.473758 
1 1 1   13    4  -51 o   45.966   0.9180  284.479   11.334  280.065   17.222  287.850   15.053   45.528   1.4083   46.193   1.2133 -0.6644783 1.858888 
1 1 1   13    4  -50 o   37.823   1.0214  192.727   10.377  187.437   14.574  198.166   14.779   37.240   1.4570   38.295   1.4368 -1.054302 2.046314 
1 1 1   13    4  -49 o   30.645   1.1605  126.609   9.5521  126.807   12.514  126.333   14.786   30.626   1.5213   30.473   1.8147 0.1526566 2.368021 
1 1 1   13    4  -48 o   23.146   1.1046   72.184   6.8672   80.319   9.7043   64.024   9.7190   24.337   1.4917   21.688   1.6816 2.649790 2.247915 
1 1 1   13    4  -47 o   39.543   0.8390  210.354   8.9108  206.850   12.508  213.965   12.698   39.178   1.1886   39.846   1.1865 -0.6683273 1.679447 
1 1 1   13    4  -46 o   46.028   0.9354  285.078   11.564  279.401   14.036  297.074   20.404   45.545   1.1474   46.895   1.6199 -1.350086 1.985100 
1 1 1   13    4  -45 o   22.047   1.0713   65.431   6.3436   62.371   9.0122   68.436   8.9309   21.439   1.5761   22.475   1.4879 -1.035591 2.167495 
1 1 1   13    4  -44 o   64.679   0.8022  562.496   13.937  561.466   19.730  563.521   19.690   64.580   1.1374   64.698   1.1331 -0.1186905 1.605488 
1 1 1   13    4  -43 o   81.764   0.9081  899.134   19.943  884.371   29.682  911.283   26.927   81.015   1.3641   82.266   1.2186 -1.250969 1.829141 
1 1 1   13    4  -42 o   13.634   1.5965   25.410   5.7359   28.784   8.7946   22.913   7.5667   14.391   2.3569   12.819   2.2813 1.571776 3.280187 
1 1 1   13    4  -41 o   91.876   0.9070  1135.08   22.383  1141.20   31.717  1129.01   31.591   92.065   1.2827   91.572   1.2844 0.4931870 1.815222 
1 1 1   13    4  -40 o   54.409   0.8718  397.985   12.740  399.810   17.615  395.984   18.447   54.507   1.2032   54.240   1.2662 0.2673988 1.746716 
1 1 1   13    4  -39 o   31.564   0.8592  133.917   7.2836  128.567   9.6152  141.120   11.157   30.915   1.1580   32.383   1.2828 -1.467916 1.728108 
1 1 1   13    4  -38 o   66.575   0.8198  595.674   14.659  596.138   19.711  595.099   21.927   66.582   1.1022   66.513   1.2274 0.6861115E-01 1.649641 
1 1 1   13    4  -37 o   29.207   0.8298  114.633   6.5096  118.566   9.2459  110.768   9.1665   29.694   1.1593   28.700   1.1891 0.9939728 1.660711 
1 1 1   13    4  -36 o   63.370   0.7616  539.558   12.962  538.448   18.275  540.682   18.387   63.289   1.0751   63.420   1.0794 -0.1308708 1.523493 
1 1 1   13    4  -35 o  100.957   1.1556  1370.18   31.336  1392.59   45.059  1349.20   43.608  101.725   1.6492  100.131   1.6214 1.593567 2.312745 
1 1 1   13    4  -34 o   18.700   1.3843   47.283   6.9035   43.566   8.9748   52.668   10.804   17.889   1.8968   19.665   2.0768 -1.776449 2.812653 
1 1 1   13    4  -33 o   25.180   0.9150   85.193   6.1880   79.496   8.1257   93.057   9.5473   24.286   1.2500   26.273   1.3576 -1.987251 1.845394 
1 1 1   13    4  -32 o   54.729   0.7837  402.403   11.520  389.539   17.697  411.862   15.175   53.833   1.2239   55.362   1.0206 -1.528587 1.593591 
1 1 1   13    4  -31 o   24.622   0.8015   81.447   5.3003   84.900   7.4510   77.909   7.5413   25.135   1.1037   24.077   1.1661 1.057999 1.605616 
1 1 1   13    4  -30 o  111.033   1.0324  1656.49   30.788  1641.80   45.213  1669.20   42.042  110.506   1.5233  111.434   1.4047 -0.9278336 2.072071 
1 1 1   13    4  -29 o   29.135   0.7778  114.026   6.0867  109.819   9.0584  117.489   8.2185   28.588   1.1797   29.571   1.0347 -0.9833832 1.569215 
1 1 1   13    4  -28 o  159.579   1.4383  3422.56   61.648  3384.98   79.205  3480.30   98.189  158.660   1.8586  160.827   2.2731 -2.167145 2.936197 
1 1 1   13    4  -27 o  154.523   1.2806  3208.31   53.149  3128.95   74.049  3292.63   76.330  152.559   1.8071  156.498   1.8159 -3.938644 2.561881 
1 1 1   13    4  -26 o   61.428   0.7220  506.824   11.913  504.028   16.690  509.729   17.009   61.254   1.0145   61.599   1.0280 -0.3452187 1.444286 
1 1 1   13    4  -25 o   56.962   0.7974  435.820   12.200  437.973   20.075  434.559   15.363   57.095   1.3091   56.877   1.0056 0.2179565 1.650740 
1 1 1   13    4  -24 o   91.268   0.9589  1118.90   23.507  1150.79   38.142  1099.36   29.851   92.545   1.5345   90.462   1.2286 2.082794 1.965695 
1 1 1   13    4  -23 o  135.409   1.2597  2463.19   45.814  2384.05   71.448  2518.44   59.704  133.184   1.9973  136.905   1.6237 -3.720947 2.574001 
1 1 1   13    4  -22 o  127.148   1.2669  2171.74   43.264  2196.59   65.410  2152.42   57.685  127.850   1.9048  126.566   1.6969 1.283134 2.551034 
1 1 1   13    4  -21 o   95.187   1.1079  1217.04   28.326  1209.51   39.861  1224.72   40.261   94.882   1.5641   95.477   1.5700 -0.5945282 2.216134 
1 1 1   13    4  -20 o  174.627   1.7449  4097.20   81.841  4011.50  114.224  4187.60  117.319  172.751   2.4618  176.501   2.4747 -3.750198 3.490633 
1 1 1   13    4  -19 o  143.913   1.4823  2782.27   57.297  2754.96   80.524  2810.29   81.545  143.183   2.0938  144.613   2.0994 -1.430542 2.965072 
1 1 1   13    4  -18 o  163.808   2.3341  3606.18  102.695  3665.98  146.485  3548.38  144.012  165.100   3.3033  162.430   3.3009 2.669418 4.669932 
1 1 1   13    4  -17 o  239.688   3.2833  7725.88  211.375  7660.85  297.151  7792.48  300.740  238.514   4.6384  240.552   4.6547 -2.038132 6.571233 
1 1 1   13    4  -16 o  127.405   1.2628  2180.32   43.212  2231.62   58.556  2118.97   64.033  128.885   1.6915  125.584   1.8984 3.301064 2.542628 
1 1 1   13    4  -15 o   84.484   0.9536  958.640   21.638  983.127   33.168  940.496   28.551   85.550   1.4435   83.677   1.2703 1.873077 1.922844 
1 1 1   13    4  -14 o  122.833   1.2233  2026.58   40.360  2073.03   61.403  1991.25   53.555  124.219   1.8404  121.749   1.6377 2.469879 2.463562 
1 1 1   13    4  -13 o  118.212   1.1229  1876.92   35.654  1856.54   50.077  1897.88   50.776  117.560   1.5859  118.862   1.5905 -1.301392 2.246057 
1 1 1   13    4  -12 o  151.686   1.3704  3090.60   55.832  3021.94   77.986  3162.78   79.967  149.976   1.9360  153.431   1.9405 -3.454819 2.741063 
1 1 1   13    4  -11 o  263.230   2.2594  9310.49  159.739  9377.60  227.057  9244.72  224.770  264.103   3.2009  262.226   3.1913 1.877045 4.519970 
1 1 1   13    4  -10 f  290.724   2.6188 11359.01  204.495 11269.00  273.088 11473.92  308.545  289.486   3.5122  292.058   3.9333 -2.571808 5.273204 
1 1 1   13    4   -9 o  164.640   1.5489  3641.13   68.495  3642.70  118.602  3640.34   83.902  164.637   2.6821  164.613   1.8976 0.2433777E-01 3.285518 
1 1 1   13    4   -8 o  200.868   1.7552  5420.23   94.697  5631.06  153.299  5290.13  120.420  204.689   2.7884  198.422   2.2595 6.266418 3.588949 
1 1 1   13    4   -7 o   49.904   0.7521  334.475   10.082  321.158   17.328  341.289   12.395   48.898   1.3194   50.410   0.9155 -1.511497 1.605900 
1 1 1   13    4   -6 o  143.510   1.1920  2766.20   45.945  2810.90   65.543  2723.02   64.423  144.655   1.6869  142.376   1.6847 2.279327 2.384097 
1 1 1   13    4   -5 o  186.740   1.4994  4684.09   75.206  4732.73  107.068  4636.73  105.660  187.687   2.1239  185.774   2.1176 1.913025 2.999159 
1 1 1   13    4   -4 o   99.836   1.1106  1338.70   29.781  1355.04   42.385  1322.78   41.853  100.438   1.5712   99.235   1.5703 1.202660 2.221332 
1 1 1   13    4   -3 o   88.484   0.9657  1051.54   22.951  1070.46   31.054  1028.76   34.069   89.274   1.2951   87.516   1.4494 1.757698 1.943720 
1 1 1   13    4   -2 o  344.297   2.6688 15929.14  246.799 15896.31  348.631 15962.11  349.424  343.837   3.7750  344.548   3.7758 -0.7107849 5.339258 
1 1 1   13    4   -1 o  212.303   1.6857  6054.48   96.125  6014.41  135.426  6095.16  136.462  211.573   2.3831  212.989   2.3854 -1.415466 3.371871 
1 1 1   13    4    0 o  282.832   2.2077 10747.29  167.713 10820.59  238.251 10675.28  236.126  283.737   3.1263  281.826   3.1194 1.911011 4.416371 
1 1 1   13    4    1 o   86.407   0.9009  1002.74   20.908  998.721   33.141  1005.40   26.948   86.229   1.4309   86.519   1.1596 -0.2902756 1.841828 
1 1 1   13    4    2 o  302.170   2.3526 12267.91  190.939 12427.65  272.343 12113.49  267.772  304.059   3.3348  300.192   3.3210 3.866608 4.706387 
1 1 1   13    4    3 o   16.320   1.1280   35.944   4.9142   36.946   7.7571   35.272   6.3513   16.488   1.7798   16.137   1.4819 0.3515129 2.316025 
1 1 1   13    4    4 o  113.551   1.0851  1731.78   33.095  1710.63   52.091  1746.09   42.855  112.847   1.7186  114.016   1.3994 -1.168808 2.216319 
1 1 1   13    4    5 o  163.814   1.4628  3604.52   64.360  3594.20   83.031  3620.05  101.866  163.568   1.8899  164.142   2.3106 -0.5740204 2.985065 
1 1 1   13    4    6 o  186.668   1.6427  4680.74   82.361  4752.25  117.578  4611.85  115.404  188.065   2.3277  185.266   2.3192 2.798660 3.285837 
1 1 1   13    4    7 o  175.133   1.4171  4119.87   66.659  4143.63   94.600  4096.45   93.943  175.620   2.0055  174.617   2.0030 1.002533 2.834456 
1 1 1   13    4    8 o   79.429   0.8570  847.329   18.282  861.107   26.061  833.978   25.654   80.069   1.2118   78.798   1.2121 1.271393 1.713987 
1 1 1   13    4    9 o  183.855   1.5467  4540.64   76.378  4628.93  114.712  4470.33  102.368  185.608   2.3010  182.409   2.0894 3.199097 3.108118 
1 1 1   13    4   10 f   80.342   0.9136  866.923   19.714  886.476   34.430  857.386   24.046   81.235   1.5780   79.897   1.1205 1.338768 1.935339 
1 1 1   13    4   11 o   38.191   0.7136  195.891   7.3198  193.111   12.022  197.528   9.2275   37.917   1.1804   38.350   0.8958 -0.4324379 1.481864 
1 1 1   13    4   12 o  204.214   1.7023  5602.35   93.369  5641.05  155.380  5580.48  116.811  204.861   2.8239  203.796   2.1340 1.064468 3.539527 
1 1 1   13    4   13 o  269.777   2.4408  9780.46  176.859  9740.55  264.567  9812.71  237.802  269.114   3.6602  270.149   3.2773 -1.034943 4.913053 
1 1 1   13    4   14 o  135.370   1.3181  2461.47   47.923  2411.02   71.073  2503.53   64.895  133.959   1.9753  136.511   1.7699 -2.551651 2.652271 
1 1 1   13    4   15 o  213.060   1.7713  6098.53  101.364  6043.94  167.027  6130.35  127.534  212.036   2.9328  213.592   2.2230 -1.556198 3.680122 
1 1 1   13    4   16 o   57.181   0.9693  439.153   14.887  422.483   24.646  448.729   18.680   56.079   1.6362   57.799   1.2032 -1.720013 2.031015 
1 1 1   13    4   17 o  146.878   1.4971  2897.99   59.061  2894.40   83.364  2901.60   83.688  146.766   2.1148  146.948   2.1203 -0.1821899 2.994674 
1 1 1   13    4   18 o   82.706   0.9366  918.732   20.806  935.800   31.443  905.439   27.750   83.465   1.4026   82.102   1.2584 1.363007 1.884343 
1 1 1   13    4   19 o   52.654   0.7960  372.360   11.257  359.491   16.630  383.242   15.293   51.733   1.1968   53.416   1.0659 -1.682751 1.602670 
1 1 1   13    4   20 o   77.866   0.7972  814.320   16.672  833.183   23.765  796.042   23.394   78.758   1.1235   76.983   1.1314 1.775528 1.594447 
1 1 1   13    4   21 o  104.666   1.0386  1471.47   29.197  1514.34   41.631  1429.97   40.959  106.170   1.4599  103.170   1.4781 3.000351 2.077523 
1 1 1   13    4   22 o  216.044   1.7197  6271.63   99.791  6269.48  140.980  6273.78  141.271  215.949   2.4306  216.022   2.4348 -0.7362366E-01 3.440362 
1 1 1   13    4   23 o   71.088   0.8098  678.745   15.461  659.042   22.581  696.133   21.214   70.043   1.2003   71.988   1.0971 -1.945740 1.626180 
1 1 1   13    4   24 o   5.7629   2.1723   3.2137   4.5823  -1.2347   6.2518   8.3781   6.7361   5.3426   2.3262   8.0933   2.6697 -2.750798 3.541028 
1 1 1   13    4   25 o   57.021   0.9451  436.746   14.475  437.384   19.300  435.927   21.885   57.058   1.2594   56.959   1.4305 0.9840393E-01 1.905851 
1 1 1   13    4   26 o  172.639   1.5444  4005.28   71.615  3991.36   92.192  4026.45  113.721  172.300   1.9921  173.006   2.4473 -0.7059784 3.155607 
1 1 1   13    4   27 o   81.823   0.8641  899.316   18.990  914.273   25.787  881.594   28.070   82.492   1.1638   81.000   1.2902 1.491753 1.737568 
1 1 1   13    4   28 o  129.429   1.2208  2250.95   42.440  2262.70   60.097  2239.27   59.943  129.730   1.7247  129.057   1.7293 0.6737976 2.442349 
1 1 1   13    4   29 o   43.763   0.7307  257.259   8.5886  266.884   12.180  247.740   12.112   44.569   1.0175   42.940   1.0502 1.628822 1.462260 
1 1 1   13    4   30 o   33.585   0.7741  151.525   6.9826  146.308   9.6795  157.186   10.083   32.997   1.0922   34.202   1.0976 -1.204571 1.548371 
1 1 1   13    4   31 o   78.977   0.8646  837.990   18.340  850.672   24.756  822.561   27.306   79.560   1.1585   78.227   1.2996 1.332932 1.741004 
1 1 1   13    4   32 o   78.674   0.9418  831.679   19.902  818.610   26.266  849.297   30.496   78.038   1.2531   79.476   1.4286 -1.438080 1.900344 
1 1 1   13    4   33 o  189.362   1.6030  4823.60   81.528  4823.00  110.342  4824.33  120.986  189.219   2.1711  189.186   2.3810 0.3239441E-01 3.222246 
1 1 1   13    4   34 o   34.692   0.8286  161.704   7.7204  164.081   11.488  159.746   10.426   34.936   1.2242   34.474   1.1260 0.4617310 1.663322 
1 1 1   13    4   35 o   41.414   0.7609  230.438   8.4644  230.789   11.757  230.060   12.196   41.437   1.0564   41.370   1.0976 0.6689453E-01 1.523339 
1 1 1   13    4   36 o   47.690   0.7616  305.589   9.7549  301.253   13.677  310.078   13.917   47.339   1.0756   48.027   1.0789 -0.6882896 1.523486 
1 1 1   13    4   37 o   10.360   2.0663   14.983   5.5481   9.5475   8.3359   19.305   7.4338   8.7384   2.9712   11.741   2.4370 -3.003042 3.842792 
1 1 1   13    4   38 o   15.176   1.5095   31.311   6.0712   26.487   9.4657   34.683   7.9133   13.762   2.6570   15.929   1.8862 -2.167304 3.258461 
1 1 1   13    4   39 o   73.174   0.9581  719.907   18.830  718.006   28.350  721.407   25.190   73.024   1.4454   73.217   1.2809 -0.1932907 1.931310 
1 1 1   13    4   40 o   19.810   1.1848   52.996   6.2754   66.602   9.3163   41.694   8.4907   22.176   1.5744   17.484   1.8354 4.691729 2.418160 
1 1 1   13    4   41 o   50.907   0.8111  348.389   11.090  357.178   16.005  340.272   15.380   51.518   1.1566   50.286   1.1388 1.232456 1.623138 
1 1 1   13    4   42 o   25.043   0.9910   84.362   6.6655   84.433   8.3392   84.237   11.092   25.042   1.2398   24.932   1.6660 0.1099758 2.076709 
1 1 1   13    4   43 o   31.859   1.0779  136.589   9.2232  135.732   13.901  137.264   12.327   31.673   1.6397   31.911   1.4382 -0.2379055 2.181074 
1 1 1   13    4   44 o   33.979   0.8404  155.264   7.6699  157.889   9.9268  151.374   12.081   34.250   1.0791   33.516   1.3421 0.7342949 1.722085 
1 1 1   13    4   45 o   87.124   0.9006  1021.08   21.076  1038.99   29.897  1003.39   29.715   87.813   1.2676   86.293   1.2821 1.520584 1.802897 
1 1 1   13    4   46 o   50.478   0.8175  342.695   11.083  332.182   15.495  353.706   15.859   49.660   1.1617   51.244   1.1522 -1.584824 1.636207 
1 1 1   13    4   47 o   39.677   0.8632  211.802   9.1987  213.318   12.919  210.244   13.100   39.783   1.2090   39.493   1.2350 0.2907562 1.728322 
1 1 1   13    4   48 o   11.612   2.5515   19.125   7.7407   7.8204   9.8013   37.864   12.619   8.5417   3.1854   16.357   2.9822 -7.815606 4.363496 
1 1 1   13    4   49 o   34.390   1.0026  159.291   9.2611  147.108   14.085  168.569   12.292   32.976   1.5902   35.343   1.2948 -2.366817 2.050719 
1 1 1   13    4   50 o   19.021   1.6663   49.358   8.4272   36.437   15.597   54.685   10.015   15.843   3.7276   19.986   1.8880 -4.143034 4.178431 
1 1 1   13    4   51 o   14.575   2.0220   29.414   7.7021   12.990   12.044   40.778   10.018   10.164   3.5663   17.159   2.2263 -6.994405 4.204129 
1 1 1   13    4   52 o   35.222   0.9932  167.115   9.3956  169.889   13.165  164.236   13.414   35.461   1.3822   34.859   1.4327 0.6026001 1.990703 
1 1 1   13    4   53 o   11.678   2.6041   19.436   7.9604   36.411   11.401   3.2912   11.119   16.058   2.7419   7.9241   3.2557 8.133856 4.256458 
1 1 1   13    4   54 f   30.707   1.1308  127.230   9.3267  111.876   12.425  147.048   14.116   28.680   1.6196   32.936   1.5957 -4.255919 2.273634 
1 1 1   13    4   55 o   51.139   0.9998  352.701   13.732  352.841   19.533  352.564   19.309   51.038   1.4249   51.023   1.4090 0.1523590E-01 2.003890 
1 1 1   13    4   56 o   40.966   1.0730  226.682   11.807  234.590   16.754  218.879   16.641   41.559   1.5009   40.131   1.5439 1.428829 2.153172 
1 1 1   13    4   57 o   16.022   2.1548   36.002   9.0379   36.714   13.210   35.375   12.392   15.806   3.2210   15.563   3.0736 0.2430191 4.452177 
1 1 1   13    4   58 o   21.057   1.6876   61.093   9.4643   64.022   13.324   58.110   13.446   21.306   2.3684   20.219   2.5313 1.086691 3.466550 
1 1 1   13    4   59 o   18.280   2.2409   47.305   10.772   53.750   12.942   32.770   19.436   19.362   2.5507   14.317   4.5196 5.045504 5.189688 
1 1 1   13    5  -59 f   6.7094   3.2364 -22.6291   17.466 -32.3600   24.498 -12.5700   24.908   7.7552   3.7629   9.0993   4.2285 -1.344121 5.660311 
1 1 1   13    5  -58 o   15.245   3.6538   35.558   14.766   43.120   25.789   31.870   18.010   16.118   5.2187   14.233   4.3272 1.885552 6.779300 
1 1 1   13    5  -57 o   45.758   1.6979  286.473   20.868  306.100   35.174  275.814   25.922   46.469   2.8317   44.643   2.1618 1.825886 3.562590 
1 1 1   13    5  -56 o   10.887   3.3870   17.026   10.958   7.2935   16.992   23.956   14.339   9.8624   4.0351   12.725   3.8592 -2.862835 5.583553 
1 1 1   13    5  -55 o   16.011   2.0186   35.603   8.4878   31.061   11.651   40.739   12.390   14.641   3.0614   16.899   2.8297 -2.257955 4.168843 
1 1 1   13    5  -54 o   24.111   1.2658   78.786   8.1688   68.633   10.566   93.873   12.879   22.399   1.7707   26.199   1.8420 -3.800116 2.555048 
1 1 1   13    5  -53 o   41.888   0.8946  236.301   10.065  235.781   14.068  236.847   14.406   41.784   1.2535   41.874   1.2809 -0.8919144E-01 1.792230 
1 1 1   13    5  -52 o   8.1314   2.6920   8.6945   6.8467  -0.8402   10.120   16.742   9.2975   6.8895   2.9797   10.848   3.0589 -3.958524 4.270262 
1 1 1   13    5  -51 o   29.013   1.2399  113.588   9.6618   93.920   17.303  122.499   11.647   26.077   2.5010   30.104   1.4404 -4.026556 2.886174 
1 1 1   13    5  -50 f   32.406   1.0077  141.473   8.7710  137.271   11.438  147.472   13.666   31.883   1.3357   33.016   1.5410 -1.133339 2.039300 
1 1 1   13    5  -49 o   19.147   1.3260   49.728   6.7773   50.362   9.6321   49.106   9.5377   19.171   1.8954   18.927   1.9019 0.2440720 2.685134 
1 1 1   13    5  -48 o   14.430   1.7286   28.594   6.5660   25.802   8.8186   32.068   9.8359   13.531   2.5191   15.126   2.5088 -1.595169 3.555330 
1 1 1   13    5  -47 o   37.903   0.8767  193.326   8.9249  196.587   12.781  190.223   12.468   38.181   1.2463   37.560   1.2359 0.6218491 1.755200 
1 1 1   13    5  -46 o   18.831   1.3320   48.064   6.6935   45.444   9.8032   50.352   9.1615   18.194   2.0413   19.207   1.7968 -1.012976 2.719447 
1 1 1   13    5  -45 o   34.350   0.9010  158.745   8.3126  163.437   11.126  152.816   12.506   34.831   1.1893   33.662   1.3832 1.169102 1.824181 
1 1 1   13    5  -44 o   52.871   0.7802  375.861   11.079  380.610   15.583  371.005   15.755   53.172   1.0911   52.494   1.1174 0.6782684 1.561784 
1 1 1   13    5  -43 o   29.386   0.8836  116.141   6.9741  116.034   9.7786  116.252   9.9494   29.352   1.2404   29.378   1.2609 -0.2616119E-01 1.768740 
1 1 1   13    5  -42 o   27.545   1.0396  102.088   7.6915  113.664   12.901   95.705   9.5803   28.974   1.6648   26.619   1.3443 2.354908 2.139803 
1 1 1   13    5  -41 o   13.875   1.5316   26.267   5.6125   21.537   8.2181   30.401   7.6833   12.374   2.5573   14.870   1.9724 -2.496086 3.229554 
1 1 1   13    5  -40 o   73.790   0.8594  732.073   17.032  733.156   25.425  731.191   22.941   73.794   1.2828   73.712   1.1587 0.8187103E-01 1.728635 
1 1 1   13    5  -39 f   79.155   0.9605  842.515   20.422  857.251   25.347  815.255   34.475   79.818   1.1823   77.768   1.6505 2.050858 2.030291 
1 1 1   13    5  -38 o   9.2307   1.9231   11.921   4.6133   12.677   6.5488   11.176   6.4999   9.5115   2.5223   8.9801   2.5665 0.5313492 3.598442 
1 1 1   13    5  -37 o   40.764   0.8459  223.328   9.2614  215.618   11.378  238.467   15.944   40.045   1.0578   42.094   1.4102 -2.048809 1.762835 
1 1 1   13    5  -36 o   84.140   0.8947  951.476   20.220  930.343   29.825  969.450   27.506   83.162   1.3352   84.905   1.2061 -1.742989 1.799342 
1 1 1   13    5  -35 o   9.2305   2.0225   11.930   4.8758   11.924   7.7047   11.933   6.2972   9.3604   2.8268   9.2461   2.4832 0.1142740 3.762530 
1 1 1   13    5  -34 o   63.930   1.0008  549.295   17.184  545.318   22.350  555.047   26.876   63.681   1.3067   64.229   1.5579 -0.5478973 2.033360 
1 1 1   13    5  -33 o   67.304   0.9308  608.714   16.826  616.013   21.067  595.854   27.963   67.695   1.1586   66.553   1.5643 1.142670 1.946684 
1 1 1   13    5  -32 o   62.847   0.7510  530.625   12.677  529.841   17.931  531.408   17.924   62.789   1.0632   62.882   1.0612 -0.9286880E-01 1.502227 
1 1 1   13    5  -31 o  130.519   1.2255  2289.81   42.963  2257.33   67.116  2312.36   55.922  129.504   1.9295  131.120   1.5879 -1.616241 2.498907 
1 1 1   13    5  -30 o   53.529   0.7144  384.914   10.272  385.075   14.397  384.748   14.659   53.533   1.0013   53.510   1.0200 0.2330017E-01 1.429319 
1 1 1   13    5  -29 o  178.876   1.5913  4302.30   76.451  4351.00  121.336  4270.24   98.452  179.721   2.5136  178.135   2.0577 1.585907 3.248458 
1 1 1   13    5  -28 o  126.440   1.1402  2148.20   38.720  2139.63   57.308  2155.40   52.522  126.146   1.6914  126.622   1.5443 -0.4768448 2.290386 
1 1 1   13    5  -27 o  130.431   1.3613  2286.26   47.691  2350.86   68.667  2226.05   66.288  132.214   1.9336  128.658   1.9182 3.556305 2.723718 
1 1 1   13    5  -26 o  164.058   1.4066  3616.94   61.981  3622.14   83.973  3610.71   91.867  164.132   1.9048  163.853   2.0874 0.2788849 2.825900 
1 1 1   13    5  -25 o   58.325   0.9251  456.957   14.492  446.587   19.010  471.345   22.392   57.654   1.2276   59.226   1.4076 -1.572529 1.867743 
1 1 1   13    5  -24 o   64.059   0.8233  551.188   14.165  525.373   22.633  567.810   18.161   62.532   1.3476   65.014   1.0400 -2.482597 1.702244 
1 1 1   13    5  -23 o  182.097   1.6173  4455.85   79.102  4406.62  124.507  4489.17  102.430  181.006   2.5610  182.740   2.0869 -1.734009 3.303609 
1 1 1   13    5  -22 o   96.523   1.0512  1251.49   27.253  1281.12   41.557  1229.14   36.099   97.645   1.5845   95.649   1.4052 1.996178 2.117836 
1 1 1   13    5  -21 o   71.777   0.8482  691.978   16.352  695.728   26.672  689.720   20.698   71.963   1.3799   71.657   1.0754 0.3063202 1.749481 
1 1 1   13    5  -20 o   51.954   0.8848  362.549   12.347  357.821   20.845  365.104   15.324   51.608   1.5038   52.135   1.0943 -0.5273705 1.859821 
1 1 1   13    5  -19 o   47.941   0.8928  308.695   11.496  299.399   14.631  323.697   18.586   47.212   1.1538   49.087   1.4097 -1.875771 1.821665 
1 1 1   13    5  -18 o  150.956   1.4464  3061.26   58.644  3056.67   87.796  3064.96   78.801  150.814   2.1674  151.029   1.9426 -0.2147827 2.910551 
1 1 1   13    5  -17 o  114.686   1.3178  1766.79   40.592  1773.65   61.816  1761.59   53.822  114.890   2.0032  114.506   1.7500 0.3834229 2.659945 
1 1 1   13    5  -16 o  112.420   1.5424  1697.79   46.572  1680.21   59.365  1725.92   75.103  111.825   1.9765  113.319   2.4675 -1.494522 3.161543 
1 1 1   13    5  -15 o  116.565   1.1774  1825.06   36.861  1800.31   49.035  1857.21   55.894  115.764   1.5770  117.574   1.7700 -1.810249 2.370615 
1 1 1   13    5  -14 o  215.582   1.7892  6243.91  103.601  6386.43  155.840  6131.03  138.684  217.976   2.6618  213.589   2.4174 4.386749 3.595730 
1 1 1   13    5  -13 o   89.627   0.8802  1078.91   21.189  1076.69   28.679  1081.57   31.443   89.532   1.1926   89.733   1.3046 -0.2011642 1.767573 
1 1 1   13    5  -12 o   66.725   0.7179  597.950   12.867  597.482   18.125  598.425   18.269   66.697   1.0117   66.749   1.0190 -0.5259705E-01 1.435975 
1 1 1   13    5  -11 o  145.520   1.2076  2844.33   47.198  2854.79   66.847  2833.95   66.651  145.775   1.7073  145.242   1.7085 0.5331268 2.415337 
1 1 1   13    5  -10 o  108.599   1.1066  1584.07   32.279  1606.03   39.837  1542.10   55.081  109.345   1.3564  107.136   1.9141 2.209297 2.346021 
1 1 1   13    5   -9 o   96.172   0.9624  1242.23   24.859  1234.51   32.068  1253.86   39.352   95.869   1.2454   96.613   1.5165 -0.7443008 1.962314 
1 1 1   13    5   -8 o   56.979   0.7898  436.031   12.088  444.043   16.212  426.000   18.140   57.498   1.0497   56.317   1.1992 1.181297 1.593768 
1 1 1   13    5   -7 o  387.466   2.9960 20181.35  311.794 20366.58  443.751 20000.74  438.187  389.049   4.2466  385.542   4.2315 3.507355 5.994950 
1 1 1   13    5   -6 o   59.551   0.7955  476.287   12.724  456.992   18.623  493.177   17.424   58.330   1.1887   60.596   1.0706 -2.266182 1.599740 
1 1 1   13    5   -5 o   95.886   1.0119  1234.85   26.061  1220.38   38.769  1246.79   35.200   95.316   1.5143   96.344   1.3603 -1.027748 2.035572 
1 1 1   13    5   -4 o   63.715   0.8663  545.237   14.825  541.774   20.719  548.870   21.221   63.510   1.2146   63.925   1.2360 -0.4144211 1.732897 
1 1 1   13    5   -3 o  175.470   1.5536  4135.96   73.223  4202.23  116.828  4093.08   93.970  176.838   2.4597  174.544   2.0044 2.293564 3.172978 
1 1 1   13    5   -2 o   83.664   0.9304  940.109   20.907  915.677   30.881  960.784   28.408   82.565   1.3925   84.576   1.2505 -2.010765 1.871629 
1 1 1   13    5   -1 o   89.705   0.8421  1080.76   20.288  1092.76   28.937  1069.15   28.453   90.199   1.1944   89.219   1.1874 0.9797363 1.684197 
1 1 1   13    5    0 o  202.514   1.6867  5509.28   91.747  5566.54  125.055  5442.54  135.016  203.539   2.2875  201.249   2.4978 2.290070 3.386989 
1 1 1   13    5    1 o   77.935   0.8134  815.749   17.026  823.521   23.154  806.598   25.124   78.303   1.1009   77.494   1.2071 0.8097076 1.633699 
1 1 1   13    5    2 o  193.291   1.8964  5019.29   98.454  5023.55  197.204  5017.88  113.628  193.267   3.7990  193.252   2.1891 0.1504517E-01 4.384558 
1 1 1   13    5    3 o  144.304   1.2520  2796.98   48.527  2782.89   65.579  2814.04   72.145  143.930   1.6964  144.730   1.8559 -0.7993469 2.514369 
1 1 1   13    5    4 o  264.707   2.0738  9414.25  147.445  9638.47  211.576  9202.53  205.591  267.780   2.9417  261.656   2.9254 6.124451 4.148652 
1 1 1   13    5    5 o   88.956   1.4562  1062.93   34.793  1056.22   49.513  1069.47   48.903   88.665   2.0791   89.221   2.0407 -0.5551834 2.913253 
1 1 1   13    5    6 o  509.738   3.9230 34947.84  537.098 34949.94  759.580 34945.74  759.562  509.363   5.5521  509.333   5.5523 0.3063965E-01 7.851936 
1 1 1   13    5    7 o   74.293   0.8745  741.294   17.450  735.042   26.177  746.294   23.411   73.975   1.3175   74.540   1.1693 -0.5655289 1.761533 
1 1 1   13    5    8 o  346.640   2.9459 16152.29  274.279 16768.24  397.582 15592.95  378.871  353.015   4.1932  340.427   4.1436 12.58847 5.895071 
1 1 1   13    5    9 o   41.764   0.8187  234.255   9.1831  230.901   15.231  236.170   11.511   41.461   1.3677   41.933   1.0220 -0.4723244 1.707379 
1 1 1   13    5   10 o  196.674   1.8175  5196.59   96.009  5272.80  145.437  5137.72  127.818  198.065   2.7339  195.528   2.4338 2.536499 3.660252 
1 1 1   13    5   11 o   76.692   0.9503  789.959   19.574  729.968   30.820  830.518   25.341   73.716   1.5566   78.634   1.1999 -4.917732 1.965371 
1 1 1   13    5   12 o  166.539   1.6643  3725.92   74.448  3786.43  122.575  3690.54   93.713  167.841   2.7190  165.730   2.1052 2.110352 3.438773 
1 1 1   13    5   13 o   42.072   0.8770  237.736   9.9098  227.033   15.114  245.807   13.125   41.112   1.3687   42.779   1.1423 -1.667488 1.782753 
1 1 1   13    5   14 o  275.566   2.3626 10204.98  174.867 10104.33  274.704 10273.55  226.741  274.064   3.7318  276.427   3.0539 -2.363312 4.822127 
1 1 1   13    5   15 o   97.407   1.0406  1274.40   27.224  1247.54   40.501  1296.54   36.771   96.367   1.5647   98.244   1.3935 -1.877258 2.095299 
1 1 1   13    5   16 o  138.941   1.2224  2593.04   45.616  2580.16   75.375  2600.49   57.301  138.571   2.0252  139.132   1.5334 -0.5610199 2.540179 
1 1 1   13    5   17 o   46.140   0.8683  285.937   10.761  287.278   16.782  285.000   14.024   46.245   1.3511   46.063   1.1335 0.1819267 1.763558 
1 1 1   13    5   18 o   98.287   1.1081  1297.57   29.254  1255.62   40.432  1343.66   42.379   96.676   1.5571  100.008   1.5777 -3.331375 2.216679 
1 1 1   13    5   19 o  174.766   1.4858  4103.24   69.744  4094.80  115.315  4108.11   87.578  174.532   2.4599  174.851   1.8648 -0.3193207 3.086857 
1 1 1   13    5   20 o   28.760   0.8022  111.096   6.1967  108.239   8.5230  114.300   9.0254   28.387   1.1179   29.170   1.1519 -0.7837029 1.605176 
1 1 1   13    5   21 o  140.305   1.1808  2644.38   44.496  2605.68   62.313  2684.64   63.560  139.256   1.6660  141.350   1.6742 -2.093964 2.361842 
1 1 1   13    5   22 o   32.100   0.8550  138.400   7.3720  138.729   10.156  138.033   10.718   32.136   1.1766   32.055   1.2449 0.8122635E-01 1.712938 
1 1 1   13    5   23 o  128.907   1.1561  2232.28   40.028  2218.81   53.923  2248.81   59.737  128.501   1.5623  129.359   1.7193 -0.8582306 2.323143 
1 1 1   13    5   24 o  120.796   1.1540  1960.28   37.441  1933.62   47.881  2002.23   60.067  119.959   1.4861  122.050   1.8323 -2.091667 2.359216 
1 1 1   13    5   25 o  128.074   1.1510  2203.70   39.595  2170.95   53.104  2244.70   59.420  127.099   1.5556  129.230   1.7119 -2.131027 2.313080 
1 1 1   13    5   26 o  149.807   1.2499  3015.45   50.293  2929.39   69.876  3107.95   72.444  147.617   1.7624  152.048   1.7739 -4.431412 2.500540 
1 1 1   13    5   27 o  120.965   1.1606  1966.07   37.707  1969.59   53.304  1962.55   53.348  121.042   1.6396  120.825   1.6439 0.2168732 2.321756 
1 1 1   13    5   28 o   73.346   0.7906  722.648   15.575  721.148   21.892  724.186   22.163   73.260   1.1126   73.414   1.1240 -0.1537323 1.581510 
1 1 1   13    5   29 o   92.260   0.8868  1143.55   21.975  1132.03   30.844  1155.42   31.316   91.777   1.2513   92.720   1.2575 -0.9429016 1.773950 
1 1 1   13    5   30 o  147.630   1.2392  2929.37   49.136  2916.40   69.258  2942.51   69.721  147.242   1.7513  147.899   1.7551 -0.6572723 2.479387 
1 1 1   13    5   31 o  109.483   1.0771  1610.86   31.675  1618.21   44.864  1603.55   44.726  109.695   1.5227  109.196   1.5250 0.4982986 2.155049 
1 1 1   13    5   32 o   70.960   0.7956  676.501   15.163  692.201   21.457  660.840   21.431   71.764   1.1132   70.119   1.1379 1.645782 1.591875 
1 1 1   13    5   33 o   43.378   0.7943  252.808   9.2549  258.843   12.271  244.847   14.094   43.886   1.0411   42.676   1.2296 1.209347 1.611101 
1 1 1   13    5   34 o  102.215   1.0423  1404.26   28.615  1399.32   36.711  1411.91   45.680  102.007   1.3399  102.427   1.6604 -0.4199905 2.133613 
1 1 1   13    5   35 o  133.632   1.2604  2401.39   45.240  2441.60   64.672  2362.85   63.308  134.654   1.7881  132.467   1.7793 2.187576 2.522598 
1 1 1   13    5   36 o   19.072   1.2126   49.113   6.1794   46.535   9.3799   51.090   8.2138   18.484   1.9172   19.417   1.5889 -0.9326229 2.489996 
1 1 1   13    5   37 o   74.344   0.8225  742.794   16.424  735.201   23.091  750.569   23.366   73.936   1.1628   74.705   1.1645 -0.7686462 1.645642 
1 1 1   13    5   38 o   29.474   0.8960  116.776   7.0931  124.792   9.9651  108.544   10.099   30.456   1.2182   28.399   1.3239 2.056505 1.799108 
1 1 1   13    5   39 f   61.623   0.8344  510.457   13.811  520.321   20.674  502.507   18.560   62.179   1.2379   61.116   1.1306 1.062923 1.676520 
1 1 1   13    5   40 o   37.414   0.9335  188.236   9.3803  183.246   13.144  193.414   13.391   36.889   1.3266   37.900   1.3155 -1.010513 1.868238 
1 1 1   13    5   41 o   93.955   0.9636  1187.34   24.317  1188.12   32.702  1186.38   36.369   93.927   1.2963   93.827   1.4431 0.1003342 1.939839 
1 1 1   13    5   42 o   66.622   0.9075  596.949   16.240  590.876   19.758  609.594   28.511   66.258   1.1102   67.224   1.5790 -0.9658432 1.930288 
1 1 1   13    5   43 o   47.080   0.7593  297.994   9.6021  299.477   12.845  296.116   14.457   47.177   1.0137   46.899   1.1477 0.2782631 1.531238 
1 1 1   13    5   44 o   30.811   0.9216  127.712   7.6271  135.344   10.767  120.024   10.806   31.695   1.2647   29.840   1.3483 1.854145 1.848624 
1 1 1   13    5   45 o   26.474   1.0164   94.339   7.2273   90.687   10.112   98.154   10.334   25.885   1.4604   26.937   1.4335 -1.051567 2.046362 
1 1 1   13    5   46 o   67.867   0.8373  619.601   15.263  628.261   21.702  611.125   21.469   68.283   1.1833   67.344   1.1869 0.9383011 1.676018 
1 1 1   13    5   47 o   35.537   0.9045  169.971   8.6338  177.342   12.247  162.689   12.173   36.263   1.2574   34.727   1.3051 1.536003 1.812291 
1 1 1   13    5   48 o   12.312   2.1616   21.211   6.8870   17.290   10.638   24.040   9.0362   11.094   3.3152   13.019   2.6736 -1.925522 4.258944 
1 1 1   13    5   49 o   7.0366   2.6732   4.8828   6.9734   7.4429   9.2657   1.5384   10.590   8.3110   3.0976   7.4596   3.1304 0.8513832 4.403867 
1 1 1   13    5   50 f   20.548   1.4065   57.312   7.7155   50.324   10.946   64.211   10.877   19.101   2.1723   21.667   1.8879 -2.566563 2.878007 
1 1 1   13    5   51 o   12.648   2.4422   22.593   7.9963   16.610   11.249   28.704   11.369   10.944   3.4361   14.152   3.0786 -3.207439 4.613480 
1 1 1   13    5   52 o   29.410   1.0595  116.586   8.3694  118.869   12.554  114.760   11.229   29.588   1.5855   29.134   1.4349 0.4539242 2.138394 
1 1 1   13    5   53 o   46.573   0.9287  292.192   11.617  287.527   15.895  297.542   17.022   46.136   1.2827   46.918   1.3508 -0.7818069 1.862748 
1 1 1   13    5   54 o   36.114   1.2004  176.158   11.644  182.609   18.012  171.527   15.262   36.630   1.8308   35.557   1.5980 1.072739 2.430115 
1 1 1   13    5   55 o   35.431   1.2212  169.768   11.622  167.758   18.176  171.158   15.115   34.984   1.9420   35.491   1.5856 -0.5070496 2.507075 
1 1 1   13    5   56 o   35.015   1.2113  166.001   11.393  172.624   16.153  159.445   16.070   35.571   1.6907   34.121   1.7595 1.449799 2.440136 
1 1 1   13    5   57 o   39.944   1.2247  216.367   13.139  198.395   20.323  229.273   17.223   37.894   2.0039   40.993   1.5643 -3.099075 2.542147 
1 1 1   13    5   58 o   17.745   2.0591   44.171   9.6314   41.656   12.615   47.686   14.913   16.893   2.8838   17.939   3.2132 -1.046366 4.317520 
1 1 1   13    5   59 f   19.331   2.2910   53.126   11.664   26.100   25.270   60.442   13.148   13.240   5.0747   20.568   2.4268 -7.327731 5.625095 
1 1 1   13    6  -59 o   9.2394   4.1911  -4.5010   22.519   0.0000   0.0000  -4.5010   22.519  ?   ?    9.2394   4.1911 0.000000 4.191085 
1 1 1   13    6  -58 o   16.181   4.2935   41.997   18.968   28.210   25.224   59.940   28.776   13.620   5.1040   18.565   5.4281 -4.944578 7.450838 
1 1 1   13    6  -57 o   27.042   1.9126  101.253   13.803   97.289   19.511  105.223   19.528   26.047   2.8347   27.168   2.7124 -1.121643 3.923357 
1 1 1   13    6  -56 o   15.120   3.3584   33.943   13.284   23.230   18.784   44.663   18.790   12.734   4.4546   17.051   4.1434 -4.316895 6.083703 
1 1 1   13    6  -55 o   15.375   2.3264   33.310   9.3069   27.340   14.009   38.027   12.452   13.555   3.7304   16.236   2.9646 -2.681385 4.764977 
1 1 1   13    6  -54 o   16.127   1.8978   35.948   8.0633   49.400   11.232   21.643   11.583   18.841   2.2649   12.197   3.4053 6.644078 4.089751 
1 1 1   13    6  -53 o   32.584   1.0589  143.195   9.2669  151.329   14.143  137.076   12.267   33.409   1.5761   31.823   1.4352 1.586452 2.131642 
1 1 1   13    6  -52 o   39.226   0.9439  207.281   9.9449  192.733   14.763  219.368   13.456   37.744   1.4562   40.308   1.2429 -2.563786 1.914509 
1 1 1   13    6  -51 f   10.272   2.7235   15.025   7.6360   29.259   10.956   1.5808   10.648   14.312   2.9483   7.4764   3.1382 6.836061 4.305884 
1 1 1   13    6  -50 o   11.462   2.2361   18.516   6.6366   20.841   9.6714   16.447   9.1237   12.054   2.9993   10.758   3.0290 1.295656 4.262708 
1 1 1   13    6  -49 o   39.983   0.9031  215.239   9.6980  212.684   13.060  218.380   14.480   39.702   1.2247   40.212   1.3407 -0.5093651 1.815856 
1 1 1   13    6  -48 o   39.541   0.9007  210.486   9.5652  211.538   14.264  209.625   12.894   39.581   1.3417   39.420   1.2178 0.1605759 1.811985 
1 1 1   13    6  -47 o   14.661   1.6366   29.438   6.3344   16.611   8.4617   45.791   9.5540   10.805   2.8680   18.260   1.9797 -7.455770 3.484903 
1 1 1   13    6  -46 o   11.307   1.9295   17.807   5.6494   18.226   7.9212   17.375   8.0596   11.325   2.6510   11.053   2.7308 0.2722549 3.805903 
1 1 1   13    6  -45 o   19.737   1.2537   52.717   6.6112   53.000   8.6163   52.311   10.309   19.736   1.6403   19.546   1.9915 0.1898193 2.580029 
1 1 1   13    6  -44 o   25.893   0.9646   90.218   6.7081   97.387   9.3983   82.773   9.5776   26.880   1.3018   24.728   1.4483 2.151283 1.947375 
1 1 1   13    6  -43 o   85.713   0.9650  988.489   22.215  981.919   31.332  995.132   31.504   85.348   1.3668   85.920   1.3651 -0.5727081 1.931750 
1 1 1   13    6  -42 o   37.137   0.9140  185.510   9.1172  184.244   16.004  186.118   11.093   36.949   1.6127   37.184   1.1107 -0.2353096 1.958171 
1 1 1   13    6  -41 o   84.470   1.0630  960.161   24.116  894.388   46.572  984.259   28.190   81.278   2.1333   85.495   1.2276 -4.216919 2.461346 
1 1 1   13    6  -40 o   24.604   0.9539   81.420   6.3039   78.586   8.3587   85.157   9.5996   24.122   1.2949   25.098   1.4299 -0.9760818 1.929096 
1 1 1   13    6  -39 o   31.678   0.8635  134.916   7.3468  137.891   9.7566  131.019   11.165   32.012   1.1347   31.192   1.3327 0.8194427 1.750319 
1 1 1   13    6  -38 o   43.015   0.8009  248.709   9.2529  247.381   12.126  250.560   14.316   42.887   1.0527   43.149   1.2352 -0.2623062 1.622970 
1 1 1   13    6  -37 o   93.715   0.9022  1180.62   22.711  1155.08   31.671  1207.65   32.584   92.651   1.2727   94.735   1.2806 -2.083778 1.805421 
1 1 1   13    6  -36 o   89.716   1.0341  1082.16   24.919  1054.27   32.751  1120.51   38.402   88.513   1.3776   91.225   1.5673 -2.711281 2.086672 
1 1 1   13    6  -35 o   76.870   0.8130  794.047   16.785  793.000   23.681  795.103   23.794   76.796   1.1481   76.897   1.1520 -0.1014175 1.626418 
1 1 1   13    6  -34 o   48.834   0.7661  320.422   10.048  323.093   13.234  316.784   15.440   49.028   1.0050   48.539   1.1843 0.4890938 1.553228 
1 1 1   13    6  -33 o  144.376   1.4950  2804.15   57.974  2832.78   73.593  2757.32   94.117  145.037   1.8891  142.958   2.4511 2.078873 3.094663 
1 1 1   13    6  -32 o   38.000   0.7362  194.001   7.5138  203.365   10.234  183.051   11.067   38.901   0.9795   36.903   1.1165 1.997837 1.485280 
1 1 1   13    6  -31 o   78.104   0.8083  819.594   16.956  807.021   23.809  832.533   24.153   77.486   1.1440   78.701   1.1426 -1.215317 1.616855 
1 1 1   13    6  -30 o   20.976   0.9034   59.118   5.0899   65.490   7.1260   52.481   7.2727   22.040   1.2084   19.709   1.3826 2.331396 1.836246 
1 1 1   13    6  -29 o   28.784   0.7422  111.300   5.7381  106.720   7.7299  116.922   8.5640   28.182   1.0212   29.497   1.0810 -1.315203 1.487053 
1 1 1   13    6  -28 f   36.825   0.7616  182.170   7.5334  196.880   11.228  170.126   10.160   38.277   1.0921   35.582   1.0631 2.695187 1.524068 
1 1 1   13    6  -27 o  103.932   0.9910  1451.27   27.665  1432.48   40.758  1467.31   37.671  103.230   1.4700  104.486   1.3423 -1.255653 1.990655 
1 1 1   13    6  -26 f  148.729   1.3550  2972.77   54.130  2937.88   69.498  3026.57   86.307  147.818   1.7505  149.988   2.1424 -2.170273 2.766561 
1 1 1   13    6  -25 o  235.033   2.0417  7429.12  128.889  7287.75  180.095  7577.54  184.538  232.623   2.8824  237.200   2.8965 -4.576553 4.086357 
1 1 1   13    6  -24 o   28.875   0.8789  111.998   6.8162   98.385   11.779  118.850   8.3576   27.006   1.6316   29.744   1.0461 -2.737391 1.938159 
1 1 1   13    6  -23 o  168.833   1.4425  3830.21   65.412  3857.45   97.497  3807.91   88.212  169.376   2.1431  168.302   1.9514 1.073334 2.898437 
1 1 1   13    6  -22 f  165.100   1.4849  3662.61   65.849  3646.41   92.822  3679.03   93.431  164.691   2.0984  165.426   2.1028 -0.7344971 2.970697 
1 1 1   13    6  -21 o  100.636   1.1381  1360.49   30.762  1392.41   44.465  1331.19   42.602  101.795   1.6263   99.533   1.5936 2.261871 2.276906 
1 1 1   13    6  -20 o   60.770   1.0468  496.065   17.087  496.259   25.071  495.897   23.350   60.774   1.5359   60.754   1.4309 0.2028275E-01 2.099164 
1 1 1   13    6  -19 o   58.702   1.0480  462.863   16.523  436.454   23.716  487.776   23.034   56.996   1.5492   60.256   1.4232 -3.259991 2.103702 
1 1 1   13    6  -18 o  265.572   2.1780  9479.36  155.359  9418.67  229.406  9530.78  211.148  264.593   3.2280  266.202   2.9532 -1.608521 4.375057 
1 1 1   13    6  -17 o   92.467   0.9085  1148.40   22.564  1133.09   33.291  1161.41   30.689   91.842   1.3496   92.984   1.2288 -1.142761 1.825189 
1 1 1   13    6  -16 o  169.689   1.5948  3868.44   72.685  3887.19  126.139  3859.11   88.935  170.036   2.7620  169.469   1.9538 0.5669708 3.383183 
1 1 1   13    6  -15 o  118.936   1.2545  1900.15   40.075  1860.08   55.957  1942.34   57.421  117.663   1.7706  120.236   1.7780 -2.573311 2.509290 
1 1 1   13    6  -14 o  172.595   1.5342  4001.82   71.124  4046.19   92.458  3937.51  111.315  173.531   1.9837  171.162   2.4213 2.368652 3.130169 
1 1 1   13    6  -13 o  123.542   1.1061  2050.02   36.704  2083.15   50.065  2011.52   53.970  124.527   1.4968  122.364   1.6421 2.163109 2.221958 
1 1 1   13    6  -12 o  155.761   1.2805  3258.88   53.572  3239.56   75.488  3278.49   76.038  155.282   1.8099  156.213   1.8123 -0.9303436 2.561289 
1 1 1   13    6  -11 o  172.535   1.3996  3998.73   64.859  3985.04   91.487  4012.55   91.963  172.219   1.9778  172.812   1.9813 -0.5932007 2.799520 
1 1 1   13    6  -10 o  139.246   1.2176  2604.38   45.539  2583.75   67.263  2621.84   61.878  138.678   1.8058  139.702   1.6491 -1.023132 2.445502 
1 1 1   13    6   -9 o  176.904   1.5654  4204.02   74.382  4151.81   95.357  4285.15  118.871  175.786   2.0197  178.564   2.4785 -2.778625 3.197191 
1 1 1   13    6   -8 o   98.506   1.0335  1303.28   27.345  1308.10   36.896  1297.41   40.730   98.683   1.3920   98.276   1.5430 0.4068985 2.078139 
1 1 1   13    6   -7 o  200.881   1.6035  5420.85   86.516  5444.02  122.635  5397.89  122.072  201.280   2.2684  200.425   2.2676 0.8546906 3.207468 
1 1 1   13    6   -6 o  200.765   1.7564  5414.92   94.713  5351.82  121.332  5513.36  151.538  199.569   2.2635  202.528   2.7858 -2.959030 3.589453 
1 1 1   13    6   -5 o  136.270   1.1955  2494.21   43.755  2509.84   59.386  2475.65   64.715  136.687   1.6176  135.749   1.7749 0.9382629 2.401444 
1 1 1   13    6   -4 o  168.074   1.3667  3794.48   61.696  3876.95   88.354  3716.01   86.189  169.872   1.9365  166.309   1.9295 3.562897 2.733655 
1 1 1   13    6   -3 o  200.995   1.6043  5426.97   86.607  5471.42  123.056  5383.34  121.913  201.787   2.2705  200.156   2.2677 1.630707 3.208990 
1 1 1   13    6   -2 o  123.325   1.0559  2042.76   34.976  2059.99   49.707  2025.86   49.223  123.836   1.4945  122.806   1.4923 1.030014 2.111966 
1 1 1   13    6   -1 o  193.146   1.6175  5011.40   83.911  5111.02  115.123  4898.48  122.562  195.032   2.1977  190.924   2.3900 4.107758 3.246844 
1 1 1   13    6    0 o  185.388   1.7224  4617.08   85.765  4581.92  147.974  4634.86  105.246  184.619   2.9841  185.729   2.1098 -1.109589 3.654584 
1 1 1   13    6    1 o   58.197   0.9763  454.894   15.261  451.316   27.806  456.437   18.257   57.960   1.7861   58.294   1.1660 -0.3338470 2.133042 
1 1 1   13    6    2 o  219.320   1.9040  6462.40  112.158  6471.91  177.506  6456.07  144.703  219.414   3.0120  219.183   2.4580 0.2314758 3.887660 
1 1 1   13    6    3 o  121.716   1.2066  1989.87   39.445  1950.12   58.460  2023.10   53.443  120.481   1.8065  122.719   1.6214 -2.238029 2.427443 
1 1 1   13    6    4 o  263.427   2.2614  9324.66  160.001  9419.57  254.616  9262.71  205.687  264.649   3.5820  262.500   2.9173 2.148743 4.619678 
1 1 1   13    6    5 o  165.087   1.4061  3660.90   62.346  3563.80   91.019  3746.72   85.573  162.862   2.0808  166.996   1.9078 -4.133987 2.823012 
1 1 1   13    6    6 o  119.134   1.0747  1906.29   34.388  1915.53   51.133  1898.67   46.467  119.413   1.5942  118.889   1.4552 0.5240326 2.158493 
1 1 1   13    6    7 o   73.043   0.8247  716.555   16.180  694.657   22.597  739.596   23.179   71.915   1.1698   74.205   1.1630 -2.289757 1.649575 
1 1 1   13    6    8 o   14.891   1.1682   29.968   4.6348   29.871   6.7804   30.054   6.3499   14.810   1.7376   14.870   1.6159 -0.5976772E-01 2.372850 
1 1 1   13    6    9 o  119.173   1.1283  1907.59   36.116  1866.41   50.457  1950.86   51.718  117.871   1.5937  120.508   1.5978 -2.637093 2.256794 
1 1 1   13    6   10 o  242.826   1.9983  7922.49  130.332  8097.41  196.049  7783.96  174.467  245.421   2.9741  240.646   2.6992 4.774429 4.016395 
1 1 1   13    6   11 o  132.307   1.2916  2351.33   45.899  2372.60   62.002  2325.54   68.271  132.893   1.7371  131.562   1.9320 1.330444 2.598092 
1 1 1   13    6   12 o   75.558   1.0906  766.812   22.133  764.297   27.142  771.805   38.239   75.431   1.3397   75.792   1.8784 -0.3613052 2.307170 
1 1 1   13    6   13 o  250.161   2.0558  8408.95  138.128  8518.81  206.555  8320.08  185.779  251.706   3.0553  248.779   2.7803 2.927216 4.130943 
1 1 1   13    6   14 o  132.721   1.2324  2366.10   43.931  2374.62   69.516  2360.44   56.686  132.940   1.9469  132.553   1.5922 0.3863220 2.515018 
1 1 1   13    6   15 o  183.321   1.5474  4514.76   76.190  4564.73  113.776  4474.13  102.587  184.295   2.2985  182.469   2.0932 1.826492 3.108806 
1 1 1   13    6   16 o  523.398   4.2120 36887.08  592.129 37757.30  891.956 36201.38  791.763  528.683   6.2814  517.946   5.6914 10.73633 8.476315 
1 1 1   13    6   17 o  171.717   1.6152  3961.59   74.494  3926.89  128.320  3979.23   91.489  170.893   2.7956  172.081   1.9794 -1.188400 3.425449 
1 1 1   13    6   18 o  113.393   1.0981  1727.12   33.445  1709.31   52.464  1739.32   43.409  112.789   1.7318  113.785   1.4204 -0.9953766 2.239771 
1 1 1   13    6   19 o  134.733   1.3241  2438.67   47.917  2432.71   71.750  2443.47   64.379  134.542   1.9855  134.848   1.7775 -0.3069916 2.664900 
1 1 1   13    6   20 o   92.348   1.0237  1145.53   25.392  1168.78   38.080  1126.92   34.073   93.268   1.5201   91.587   1.3851 1.681458 2.056485 
1 1 1   13    6   21 o  104.136   1.2292  1456.84   34.382  1452.64   45.451  1462.45   52.568  103.973   1.6275  104.314   1.8762 -0.3404922 2.483758 
1 1 1   13    6   22 f  234.216   1.9381  7373.79  121.920  7420.34  181.321  7335.38  164.714  234.826   2.8748  233.516   2.6262 1.309494 3.893754 
1 1 1   13    6   23 o  219.784   1.7489  6492.49  103.244  6543.09  146.613  6442.72  145.413  220.548   2.4750  218.850   2.4738 1.697952 3.499333 
1 1 1   13    6   24 o  119.868   1.0924  1930.29   35.169  1930.85   47.680  1929.61   52.084  119.867   1.4810  119.821   1.6184 0.4631042E-01 2.193727 
1 1 1   13    6   25 o   57.128   0.7283  438.372   11.176  438.716   15.664  438.015   15.950   57.146   1.0205   57.100   1.0400 0.4609299E-01 1.457089 
1 1 1   13    6   26 f   91.357   0.9629  1121.25   23.627  1118.02   33.256  1124.54   33.574   91.209   1.3575   91.474   1.3665 -0.2654037 1.926191 
1 1 1   13    6   27 o   51.690   0.7589  358.908   10.536  363.220   15.446  355.158   14.408   51.992   1.1061   51.413   1.0433 0.5787201 1.520538 
1 1 1   13    6   28 f   91.806   0.8835  1132.33   21.785  1107.11   30.381  1159.03   31.254   90.760   1.2463   92.864   1.2530 -2.103630 1.767294 
1 1 1   13    6   29 o  147.861   1.2399  2938.56   49.241  2934.66   69.499  2942.50   69.777  147.700   1.7519  147.896   1.7566 -0.1963959 2.480852 
1 1 1   13    6   30 o  129.972   1.2210  2270.68   42.625  2266.04   60.180  2275.35   60.381  129.781   1.7264  130.046   1.7287 -0.2657928 2.443135 
1 1 1   13    6   31 o   84.767   0.9188  965.509   20.919  952.056   29.369  979.362   29.802   84.151   1.2994   85.349   1.3001 -1.198174 1.838084 
1 1 1   13    6   32 o   34.959   0.7827  164.194   7.3491  178.992   10.337  149.069   10.451   36.493   1.0546   33.301   1.1684 3.192776 1.573952 
1 1 1   13    6   33 o   52.866   0.7791  375.505   11.062  368.395   16.288  381.593   15.072   52.348   1.1584   53.282   1.0532 -0.9342728 1.565612 
1 1 1   13    6   34 o   89.949   1.0236  1087.52   24.730  1109.08   36.834  1069.83   33.369   90.789   1.5105   89.180   1.3931 1.608109 2.054837 
1 1 1   13    6   35 o   91.854   0.9873  1134.10   24.357  1136.45   31.334  1130.53   38.719   91.921   1.2691   91.644   1.5730 0.2767944 2.021146 
1 1 1   13    6   36 o   44.494   0.7880  266.040   9.4167  259.468   12.665  274.166   14.082   43.928   1.0734   45.151   1.1612 -1.222355 1.581321 
1 1 1   13    6   37 o   26.671   0.9133   95.625   6.5425   84.874   8.9138  108.180   9.6329   25.078   1.3281   28.354   1.2649 -3.276688 1.834049 
1 1 1   13    6   38 o   42.806   0.9359  246.371   10.760  260.798   14.167  226.702   16.542   44.025   1.1981   41.023   1.5013 3.001610 1.920799 
1 1 1   13    6   39 o   27.418   1.0335  101.124   7.6111   98.680   9.6548  105.136   12.371   27.071   1.3279   27.872   1.6599 -0.8015518 2.125706 
1 1 1   13    6   40 o  109.588   1.2421  1616.99   36.560  1642.68   52.406  1592.64   51.028  110.310   1.7688  108.623   1.7490 1.687096 2.487505 
1 1 1   13    6   41 o   22.464   1.1107   67.921   6.7014   61.336   8.8615   76.718   10.242   21.268   1.5622   23.792   1.6123 -2.523829 2.244982 
1 1 1   13    6   42 o   37.375   0.8420  187.852   8.4526  183.079   11.288  193.944   12.754   36.877   1.1396   37.946   1.2513 -1.068878 1.692506 
1 1 1   13    6   43 o   36.473   0.8885  178.934   8.7042  185.048   12.877  173.790   11.811   37.058   1.2937   35.919   1.2243 1.138645 1.781164 
1 1 1   13    6   44 o   41.561   0.8292  232.323   9.2561  231.629   13.116  233.012   13.064   41.468   1.1776   41.592   1.1694 -0.1244965 1.659631 
1 1 1   13    6   45 o   21.777   1.1679   64.074   6.8060   67.944   9.4869   59.969   9.7696   22.371   1.5892   20.985   1.7493 1.386135 2.363410 
1 1 1   13    6   46 o   92.977   0.9323  1163.58   23.282  1157.66   32.761  1169.62   33.092   92.636   1.3167   93.111   1.3232 -0.4753494 1.866728 
1 1 1   13    6   47 o   33.747   1.1494  153.522   10.419  153.702   16.859  153.410   13.252   33.612   1.8749   33.696   1.4643 -0.8377075E-01 2.378905 
1 1 1   13    6   48 o   37.326   0.9088  187.577   9.1117  170.493   12.579  206.434   13.216   35.537   1.3179   39.113   1.2580 -3.575874 1.821941 
1 1 1   13    6   49 o   30.194   1.0545  122.859   8.5515  123.183   12.020  122.528   12.168   30.182   1.4828   30.061   1.5119 0.1214752 2.117678 
1 1 1   13    6   50 o   6.1905   2.5624   1.5329   6.9559  -3.7820   9.0793   9.0851   10.823   6.0458   2.7087   9.0404   3.3520 -2.994651 4.309639 
1 1 1   13    6   51 f   31.472   1.1667  133.611   9.8627  138.904   12.639  125.368   15.772   32.048   1.4683   30.306   1.9479 1.741976 2.439288 
1 1 1   13    6   52 o   6.3808   2.6406   1.6856   7.3844   17.225   11.412  -9.5066   9.6852   11.097   3.4572   5.5265   2.5905 5.570127 4.320060 
1 1 1   13    6   53 o   40.181   0.9289  217.546   10.025  222.873   16.125  214.190   12.799   40.567   1.4799   39.827   1.1965 0.7404442 1.903046 
1 1 1   13    6   54 o   8.0508   2.9136   7.6830   8.1003   15.488   11.302  -0.5620   11.616   10.586   3.4565   7.3822   3.1925 3.204118 4.705244 
1 1 1   13    6   55 o   17.951   1.8636   44.508   8.8545   42.672   12.805   46.190   12.257   17.259   2.8626   18.064   2.6014 -0.8049183 3.868005 
1 1 1   13    6   56 o   14.317   2.7945   29.712   10.360   48.834   18.240   20.606   12.588   17.962   3.8930   11.831   3.6218 6.131868 5.317242 
1 1 1   13    6   57 o   20.820   1.8548   60.087   10.264   65.383   13.465   52.743   15.856   21.521   2.3686   18.909   3.2386 2.612453 4.012302 
1 1 1   13    6   58 o   37.556   1.6189  193.564   16.330  226.900   31.455  181.265   19.106   39.574   2.9812   36.105   1.9778 3.469055 3.577571 
1 1 1   13    6   59 o   24.592   2.5723   87.140   16.739   84.012   20.456   93.480   29.119   23.635   3.3135   23.716   4.7370 -0.8155441E-01 5.780921 
1 1 1   13    7  -58 o   8.6489   3.8193  -0.5022   17.399   22.180   24.718 -22.7800   24.496   12.598   4.9647   8.2858   3.9530 4.312025 6.346203 
1 1 1   13    7  -57 o   8.1385   3.4761   2.0806   13.452   37.880   24.147 -14.0290   16.198   15.196   5.0567   7.0587   3.3219 8.137560 6.050233 
1 1 1   13    7  -56 f   18.430   2.6674   48.666   12.820   45.929   18.329   51.288   17.938   17.262   4.0269   18.408   3.7553 -1.145727 5.506189 
1 1 1   13    7  -55 o   30.989   1.8877  132.118   15.637  145.260   22.307  119.421   21.927   32.162   2.6047   29.018   2.8502 3.144203 3.861057 
1 1 1   13    7  -54 o   11.279   2.8101   18.428   8.4818   2.7966   12.905   30.315   11.254   8.2579   3.4600   14.464   2.9955 -6.205597 4.576496 
1 1 1   13    7  -53 o   36.734   1.0092  182.000   9.9572  181.017   12.829  183.488   15.791   36.582   1.3057   36.764   1.5992 -0.1828079 2.064510 
1 1 1   13    7  -52 o   13.709   2.0801   26.197   7.4183   29.350   9.6479   21.637   11.603   14.399   2.5899   12.240   3.4051 2.159415 4.278097 
1 1 1   13    7  -51 o   34.199   1.0094  157.623   9.2723  147.863   11.894  172.742   14.804   33.080   1.3387   35.719   1.5431 -2.638802 2.042870 
1 1 1   13    7  -50 o   25.612   1.1887   88.502   8.1774   86.830   12.603   89.717   10.747   25.215   1.8743   25.697   1.5645 -0.4820976 2.441433 
1 1 1   13    7  -49 o   48.313   0.8697  314.238   11.285  312.372   16.045  316.066   15.876   48.108   1.2418   48.396   1.2213 -0.2875671 1.741742 
1 1 1   13    7  -48 o   22.122   1.1415   66.170   6.7596   67.320   9.4639   64.973   9.6582   22.244   1.5946   21.839   1.6589 0.4050083 2.301059 
1 1 1   13    7  -47 o   15.098   1.5380   31.146   6.1499   31.919   8.5178   30.303   8.8887   15.166   2.1513   14.731   2.3236 0.4353981 3.166561 
1 1 1   13    7  -46 o   38.959   0.8372  204.237   8.7601  205.583   12.240  202.823   12.543   39.050   1.1670   38.783   1.2041 0.2678299 1.676833 
1 1 1   13    7  -45 o   58.860   0.8268  466.092   13.071  455.429   17.616  479.153   19.497   58.139   1.1281   59.618   1.2176 -1.478947 1.659824 
1 1 1   13    7  -44 o   32.445   0.9181  141.650   8.0008  141.610   10.541  141.703   12.288   32.417   1.2107   32.407   1.4117 0.9407043E-02 1.859772 
1 1 1   13    7  -43 f   9.5697   2.0607   12.882   5.1402   7.5296   6.9631   19.292   7.6199   7.8207   2.7135   11.689   2.5025 -3.868622 3.691272 
1 1 1   13    7  -42 o   49.289   0.8157  326.693   10.799  316.886   15.932  335.028   14.688   48.502   1.2230   49.886   1.0962 -1.383877 1.642319 
1 1 1   13    7  -41 o   44.165   0.8829  262.336   10.473  242.452   18.788  271.301   12.615   42.380   1.6505   44.900   1.0460 -2.519943 1.954081 
1 1 1   13    7  -40 o   55.237   0.8980  410.354   13.323  400.004   19.725  419.036   18.066   54.487   1.3479   55.786   1.2057 -1.299381 1.808448 
1 1 1   13    7  -39 o   17.248   1.1833   40.235   5.4487   43.813   6.9793   34.651   8.7191   17.972   1.4585   15.870   2.0969 2.101713 2.554232 
1 1 1   13    7  -38 o   61.413   0.7678  506.953   12.665  508.756   17.790  505.101   18.036   61.495   1.0771   61.272   1.0959 0.2231941 1.536595 
1 1 1   13    7  -37 o   46.820   0.8526  294.683   10.722  278.462   14.536  314.035   15.877   45.491   1.1897   48.307   1.2237 -2.815731 1.706682 
1 1 1   13    7  -36 o   78.612   0.8703  830.698   18.376  833.958   27.374  828.025   24.791   78.723   1.2947   78.456   1.1765 0.2666855 1.749334 
1 1 1   13    7  -35 o   66.542   0.8600  595.111   15.370  582.232   19.179  618.230   25.697   65.803   1.0852   67.777   1.4116 -1.974327 1.780480 
1 1 1   13    7  -34 o   78.638   0.8639  831.065   18.246  845.534   24.552  813.216   27.269   79.298   1.1528   77.754   1.3057 1.544121 1.741787 
1 1 1   13    7  -33 o   10.625   1.6527   15.556   4.5634   13.863   5.3292   20.209   8.8353   9.9596   2.0601   11.989   2.7952 -2.029499 3.472408 
1 1 1   13    7  -32 o  126.731   1.2687  2159.61   43.184  2199.62   58.560  2111.91   63.935  127.834   1.7055  125.225   1.9009 2.609161 2.553861 
1 1 1   13    7  -31 o   19.913   0.9110   53.286   4.8727   49.371   6.2396   59.404   7.8010   19.124   1.2211   20.971   1.3929 -1.846617 1.852346 
1 1 1   13    7  -30 o   92.118   0.8825  1140.20   21.836  1147.67   30.896  1132.75   30.865   92.395   1.2450   91.792   1.2519 0.6029510 1.765552 
1 1 1   13    7  -29 o   41.401   0.7550  230.273   8.3954  233.536   12.592  227.661   11.265   41.685   1.1246   41.160   1.0190 0.5247688 1.517597 
1 1 1   13    7  -28 o   52.044   0.7075  363.852   9.8903  354.339   13.637  374.408   14.365   51.352   0.9887   52.785   1.0132 -1.433407 1.415700 
1 1 1   13    7  -27 o   14.645   1.0524   28.970   4.1121   27.011   5.2721   32.013   6.5708   14.105   1.4105   15.344   1.6188 -1.239533 2.147108 
1 1 1   13    7  -26 f   76.627   0.8181  788.778   16.838  755.441   23.926  821.486   23.699   74.977   1.1881   78.188   1.1285 -3.211296 1.638625 
1 1 1   13    7  -25 o   96.652   0.9791  1255.03   25.417  1254.24   30.309  1256.92   46.657   96.614   1.1680   96.680   1.7968 -0.6664276E-01 2.143024 
1 1 1   13    7  -24 o   98.661   0.9933  1307.69   26.323  1286.29   31.180  1360.78   49.111   97.843   1.1865  100.602   1.8175 -2.758972 2.170504 
1 1 1   13    7  -23 o   92.633   0.8764  1152.65   21.804  1148.05   28.215  1159.47   34.355   92.440   1.1364   92.889   1.3770 -0.4495087 1.785353 
1 1 1   13    7  -22 o   62.169   0.8121  519.147   13.560  501.220   18.826  538.475   19.548   61.080   1.1475   63.310   1.1496 -2.229301 1.624312 
1 1 1   13    7  -21 o  155.340   1.2322  3241.92   51.413  3304.89   70.748  3171.43   74.844  156.816   1.6797  153.607   1.8141 3.208282 2.472287 
1 1 1   13    7  -20 o   95.442   0.8889  1223.54   22.788  1233.84   32.298  1213.33   32.156   95.833   1.2548   95.034   1.2598 0.7998505 1.778045 
1 1 1   13    7  -19 o  131.527   1.1192  2323.85   39.539  2334.12   56.016  2313.65   55.818  131.799   1.5824  131.220   1.5837 0.5792236 2.238768 
1 1 1   13    7  -18 o  228.786   1.8118  7034.00  111.338  7033.83  157.403  7034.18  157.507  228.708   2.5624  228.714   2.5640 -0.5599976E-02 3.624878 
1 1 1   13    7  -17 o  184.447   1.4877  4570.71   73.703  4557.76  104.015  4583.76  104.449  184.148   2.1030  184.673   2.1058 -0.5242615 2.976038 
1 1 1   13    7  -16 o  105.112   0.9435  1483.98   26.637  1518.21   38.062  1451.13   37.291  106.309   1.3330  103.934   1.3358 2.375053 1.887156 
1 1 1   13    7  -15 o  139.479   1.2227  2613.25   45.806  2636.26   68.224  2594.37   61.807  140.071   1.8134  138.960   1.6560 1.111008 2.455778 
1 1 1   13    7  -14 o  293.481   2.5090 11578.20  197.773 11391.07  309.238 11707.72  257.266  290.892   3.9579  295.023   3.2466 -4.130859 5.119180 
1 1 1   13    7  -13 o  202.965   1.6931  5534.58   92.298  5440.76  123.687  5652.48  138.648  201.202   2.2887  205.063   2.5173 -3.860901 3.402232 
1 1 1   13    7  -12 o  150.936   1.3667  3060.28   55.407  3010.54   70.856  3138.56   88.890  149.691   1.7623  152.824   2.1655 -3.132660 2.792026 
1 1 1   13    7  -11 o  133.533   1.2337  2395.14   44.247  2441.75   57.775  2329.02   68.813  134.817   1.5955  131.657   1.9460 3.159744 2.516442 
1 1 1   13    7  -10 o   90.177   0.8866  1092.19   21.475  1079.25   28.919  1108.11   32.065   89.637   1.2011   90.826   1.3144 -1.188591 1.780573 
1 1 1   13    7   -9 o  161.663   1.3819  3510.67   60.004  3536.89   81.560  3479.72   88.593  162.249   1.8715  160.925   2.0497 1.323898 2.775586 
1 1 1   13    7   -8 o   30.617   0.8517  125.900   7.0036  122.170   7.9564  138.735   14.760   30.160   0.9822   32.089   1.7187 -1.929667 1.979572 
1 1 1   13    7   -7 o   77.208   0.8977  800.617   18.616  817.445   22.966  768.378   31.787   78.013   1.0960   75.629   1.5649 2.383484 1.910505 
1 1 1   13    7   -6 o  212.957   1.6924  6092.55   96.802  6044.58  136.178  6141.55  137.632  212.080   2.3906  213.774   2.3970 -1.693909 3.385391 
1 1 1   13    7   -5 o  112.578   1.0800  1702.29   32.657  1685.27   51.270  1713.92   42.363  112.002   1.7043  112.957   1.3963 -0.9545746 2.203240 
1 1 1   13    7   -4 o  324.888   2.6369 14187.11  230.104 14193.75  311.708 14179.16  341.107  324.851   3.5725  324.634   3.9121 0.2165833 5.297824 
1 1 1   13    7   -3 f  293.919   2.5112 11610.33  198.244 11517.17  311.787 11673.55  256.850  292.572   3.9677  294.643   3.2456 -2.071350 5.126014 
1 1 1   13    7   -2 o  267.648   2.1897  9625.83  157.413  9527.23  211.821  9747.45  235.249  266.210   2.9625  269.241   3.2531 -3.030151 4.399859 
1 1 1   13    7   -1 f  205.312   1.7933  5663.13   98.892  5527.11  154.195  5758.17  128.891  202.773   2.8312  207.001   2.3182 -4.227585 3.659201 
1 1 1   13    7    0 o  373.487   3.0194 18753.54  302.895 18984.36  452.821 18566.64  407.474  375.532   4.4894  371.454   4.0842 4.077942 6.069184 
1 1 1   13    7    1 f   99.978   0.9955  1342.51   26.731  1347.91   37.978  1337.21   37.633  100.173   1.4115   99.774   1.4043 0.3982773 1.991081 
1 1 1   13    7    2 o  104.588   0.9355  1469.16   26.280  1476.53   37.300  1461.91   37.031  104.844   1.3246  104.324   1.3216 0.5203934 1.871116 
1 1 1   13    7    3 f  187.467   1.5069  4720.98   75.876  4838.17  108.997  4610.80  105.689  189.754   2.1386  185.242   2.1242 4.511749 3.014279 
1 1 1   13    7    4 o   52.204   0.6765  366.006   9.4851  367.945   13.547  364.142   13.285   52.340   0.9636   52.069   0.9499 0.2710838 1.353119 
1 1 1   13    7    5 o   77.043   0.9472  797.205   19.601  818.479   25.226  764.792   31.137   78.061   1.2031   75.453   1.5364 2.607742 1.951450 
1 1 1   13    7    6 o  103.496   1.1405  1438.73   31.703  1418.54   44.597  1459.35   45.075  102.759   1.6158  104.227   1.6102 -1.468010 2.281120 
1 1 1   13    7    7 o  224.442   1.7769  6767.70  107.117  6870.06  152.913  6669.07  150.098  226.088   2.5181  222.757   2.5087 3.331039 3.554506 
1 1 1   13    7    8 o   84.545   0.8549  960.021   19.414  936.273   28.432  980.765   26.574   83.488   1.2679   85.451   1.1578 -1.962135 1.717032 
1 1 1   13    7    9 o   59.825   0.7312  480.682   11.750  470.603   15.838  493.021   17.523   59.193   0.9962   60.586   1.0769 -1.392822 1.466961 
1 1 1   13    7   10 o   90.819   1.0451  1107.85   25.492  1125.02   36.381  1091.28   35.731   91.514   1.4801   90.131   1.4760 1.382721 2.090274 
1 1 1   13    7   11 o   71.193   0.9250  680.741   17.687  660.812   24.896  701.054   25.134   70.138   1.3215   72.243   1.2953 -2.104431 1.850459 
1 1 1   13    7   12 o  151.443   1.3101  3080.81   53.289  3059.65   78.722  3098.70   72.399  150.900   1.9423  151.867   1.7749 -0.9665985 2.631120 
1 1 1   13    7   13 o  154.699   1.3349  3214.78   55.464  3268.75   83.053  3171.33   74.516  155.968   1.9826  153.634   1.8058 2.334198 2.681702 
1 1 1   13    7   14 o  140.385   1.2324  2647.32   46.468  2634.02   68.738  2658.51   63.060  140.013   1.8278  140.668   1.6690 -0.6553192 2.475213 
1 1 1   13    7   15 o  127.377   1.3396  2179.56   45.830  2140.43   64.183  2220.26   65.464  126.210   1.8934  128.542   1.8961 -2.332161 2.679561 
1 1 1   13    7   16 o   84.725   1.0978  964.215   24.983  998.254   38.546  939.559   32.806   86.196   1.6650   83.628   1.4605 2.567848 2.214773 
1 1 1   13    7   17 o  176.728   1.6584  4196.53   78.721  4131.04  104.638  4281.94  119.491  175.308   2.2223  178.460   2.4929 -3.151962 3.339605 
1 1 1   13    7   18 o  118.880   1.1418  1898.43   36.457  1899.17   51.536  1897.69   51.579  118.888   1.6139  118.841   1.6159 0.4648590E-01 2.283822 
1 1 1   13    7   19 o  107.476   1.0623  1551.64   30.665  1525.88   43.020  1578.25   43.722  106.567   1.5030  108.381   1.5020 -1.813599 2.124833 
1 1 1   13    7   20 o   65.259   0.8746  572.031   15.330  578.253   20.645  564.382   22.889   65.608   1.1716   64.814   1.3148 0.7944412 1.761070 
1 1 1   13    7   21 o   83.287   0.9190  931.776   20.558  924.118   32.571  936.846   26.504   82.930   1.4623   83.507   1.1817 -0.5771484 1.880030 
1 1 1   13    7   22 o   77.137   0.8832  799.258   18.299  812.054   25.941  786.583   25.817   77.744   1.2423   76.514   1.2563 1.229317 1.766771 
1 1 1   13    7   23 o  192.123   1.5495  4960.85   79.956  4874.34  122.368  5025.29  105.622  190.340   2.3936  193.314   2.0342 -2.973938 3.141222 
1 1 1   13    7   24 o  187.683   1.5186  4734.47   76.551  4805.84  119.438  4684.71   99.727  188.983   2.3530  186.639   1.9894 2.344101 3.081309 
1 1 1   13    7   25 o   69.506   0.8977  649.002   16.759  653.415   25.146  645.475   22.480   69.728   1.3427   69.307   1.2076 0.4200974 1.805858 
1 1 1   13    7   26 f  104.629   0.9568  1470.77   26.887  1469.59   37.879  1471.97   38.172  104.565   1.3487  104.649   1.3580 -0.8427429E-01 1.913986 
1 1 1   13    7   27 o   26.541   0.9038   94.639   6.4427   91.922   8.5425   98.224   9.8115   26.152   1.2161   27.032   1.3514 -0.8793049 1.817999 
1 1 1   13    7   28 o  195.271   1.5745  5128.02   82.579  5067.22  115.806  5190.92  117.787  193.974   2.2228  196.324   2.2337 -2.350494 3.151236 
1 1 1   13    7   29 o   77.299   0.8437  802.789   17.517  800.676   23.822  805.276   25.846   77.182   1.1491   77.398   1.2433 -0.2159653 1.692986 
1 1 1   13    7   30 o   58.419   0.7964  458.513   12.497  466.763   17.676  450.267   17.671   58.930   1.1167   57.878   1.1367 1.051620 1.593491 
1 1 1   13    7   31 o   16.397   1.2507   36.359   5.4669   33.341   8.0541   38.937   7.4445   15.613   1.9641   16.930   1.6584 -1.317439 2.570650 
1 1 1   13    7   32 o   56.401   0.8150  427.421   12.346  433.919   19.144  422.794   16.154   56.807   1.2547   56.084   1.0724 0.7236252 1.650525 
1 1 1   13    7   33 o   7.0937   2.2538   6.6539   4.8274   3.2222   6.4488   11.028   7.2805   6.4627   2.5394   9.0218   2.7531 -2.559114 3.745389 
1 1 1   13    7   34 o   37.367   0.7736  187.624   7.7647  179.547   10.689  196.647   11.298   36.544   1.0890   38.244   1.0999 -1.700142 1.547814 
1 1 1   13    7   35 o   52.274   0.7514  367.190   10.550  369.051   14.681  365.204   15.172   52.391   1.0433   52.115   1.0839 0.2761612 1.504410 
1 1 1   13    7   36 o   29.102   0.9395  113.860   7.3436  119.015   9.3781  105.689   11.807   29.744   1.1739   27.967   1.5783 1.777624 1.966990 
1 1 1   13    7   37 o   32.628   1.1731  143.237   10.281  157.974   11.473   83.200   23.158   34.261   1.2468   24.416   3.6426 9.844427 3.850096 
1 1 1   13    7   38 o   56.554   0.8368  429.979   12.710  434.216   16.407  423.620   20.101   56.812   1.0752   56.088   1.3343 0.7241974 1.713601 
1 1 1   13    7   39 o   27.906   0.9905  104.756   7.4238  100.506   9.4089  111.764   12.084   27.319   1.2823   28.747   1.5710 -1.427340 2.027866 
1 1 1   13    7   40 o   76.580   0.8953  788.709   18.415  802.539   23.919  768.581   28.856   77.211   1.1534   75.513   1.4227 1.698303 1.831491 
1 1 1   13    7   41 o   55.076   0.7847  407.848   11.608  403.807   15.044  413.793   18.247   54.780   1.0225   55.429   1.2256 -0.6491470 1.596107 
1 1 1   13    7   42 o   25.772   1.0290   89.390   7.1230   83.401   9.5594   96.866   10.681   24.827   1.4397   26.755   1.4922 -1.928368 2.073506 
1 1 1   13    7   43 f   53.062   0.8009  378.651   11.415  387.873   16.237  369.638   16.051   53.668   1.1264   52.390   1.1407 1.278538 1.603078 
1 1 1   13    7   44 o   31.784   0.9583  135.962   8.1808  140.650   12.020  131.916   11.166   32.289   1.3860   31.276   1.3291 1.012915 1.920330 
1 1 1   13    7   45 o   29.438   1.0938  116.742   8.6482  104.913   13.789  124.412   11.104   27.766   1.8597   30.364   1.3615 -2.598543 2.304787 
1 1 1   13    7   46 o   47.329   0.9575  301.614   12.171  306.212   17.569  297.371   16.878   47.623   1.3735   46.937   1.3388 0.6862907 1.918029 
1 1 1   13    7   47 o   20.783   1.2546   58.493   6.9703   62.980   9.8293   53.955   9.8859   21.493   1.7171   19.853   1.8762 1.640120 2.543336 
1 1 1   13    7   48 o   10.066   2.4251   14.403   6.4788   4.9775   9.0036   24.525   9.3301   7.6569   3.0031   13.127   2.7350 -5.470199 4.061861 
1 1 1   13    7   49 o   17.644   1.5738   42.469   7.3797   42.563   9.5347   42.328   11.655   17.567   2.0599   17.392   2.5725 0.1746845 3.295624 
1 1 1   13    7   50 o   10.739   2.4213   16.393   6.8174   6.9306   9.2942   27.413   10.030   8.1840   3.0916   13.878   2.7877 -5.693755 4.162877 
1 1 1   13    7   51 o   34.303   1.0264  158.601   9.4569  150.239   12.986  168.043   13.799   33.327   1.4508   35.245   1.4576 -1.918232 2.056585 
1 1 1   13    7   52 o   21.271   1.5859   61.664   8.9955   57.545   12.300   66.400   13.189   20.381   2.2864   21.913   2.2740 -1.532253 3.224702 
1 1 1   13    7   53 o   5.7680   2.5458  -2.0191   7.7202   4.4430   10.990  -8.3153   10.848   8.0638   3.2654   6.0820   2.8138 1.981769 4.310460 
1 1 1   13    7   54 o   8.5129   2.9008   9.5045   7.9459   19.313   14.473   5.2722   9.5068   11.733   3.9153   7.7998   3.0773 3.933363 4.979950 
1 1 1   13    7   55 o   45.169   1.0933  275.919   13.263  301.123   22.719  262.887   16.336   46.907   1.8033   43.998   1.3824 2.909058 2.272166 
1 1 1   13    7   56 f   21.812   1.8621   65.853   10.805   77.894   13.395   43.428   18.280   23.630   2.1335   16.743   4.0981 6.886745 4.620218 
1 1 1   13    7   57 o   14.326   3.0301   30.509   11.295   46.060   23.000   25.567   12.967   16.706   4.8437   12.924   3.6012 3.782032 6.035671 
1 1 1   13    7   58 o   16.786   3.4358   43.083   14.969   43.892   18.819   41.690   24.699   16.469   4.2316   15.593   5.1106 0.8761530 6.635141 
1 1 1   13    8  -57 o   12.715   5.0069   22.440   25.120   22.440   25.120   0.0000   0.0000   12.715   5.0069  ?   ?  0.000000 5.006891 
1 1 1   13    8  -56 o   25.781   2.0619   92.703   14.158   90.244   19.943   95.202   20.103   24.906   3.0447   25.631   2.9754 -0.7252216 4.257098 
1 1 1   13    8  -55 o   13.192   3.4554   26.115   12.389   26.053   17.858   26.173   17.202   13.171   4.3471   13.175   4.2619 -0.3236771E-02 6.087758 
1 1 1   13    8  -54 o   13.155   3.3445   25.612   11.843   20.675   17.050   30.215   16.463   12.173   4.2448   14.139   4.0976 -1.966295 5.899879 
1 1 1   13    8  -53 o   51.289   1.1212  355.394   15.446  352.319   18.446  362.608   28.254   50.999   1.3466   51.451   2.0446 -0.4514542 2.448193 
1 1 1   13    8  -52 o   15.293   2.1963   32.647   8.7629   25.860   9.7840   60.167   19.701   13.427   2.8035   20.311   3.7494 -6.884508 4.681654 
1 1 1   13    8  -51 o   15.707   1.7368   33.897   7.2045   26.237   10.783   40.073   9.6828   13.494   3.0472   16.996   2.1707 -3.501801 3.741365 
1 1 1   13    8  -50 o   15.787   1.7033   34.187   7.1081   43.539   10.828   27.105   9.4225   17.695   2.3353   13.826   2.6335 3.869273 3.519807 
1 1 1   13    8  -49 o   6.7569   2.5170   4.8427   6.1165   10.802   8.5732  -1.3355   8.7290   9.0456   3.0132   6.3020   2.7462 2.743626 4.076924 
1 1 1   13    8  -48 o   21.362   1.2045   61.769   6.8827   70.071   9.5411   52.762   9.9383   22.696   1.5749   19.613   1.9108 3.082613 2.476221 
1 1 1   13    8  -47 o   18.228   1.3013   45.090   6.3291   46.175   8.6755   43.855   9.2539   18.365   1.7811   17.857   1.9617 0.5082951 2.649666 
1 1 1   13    8  -46 o   26.022   0.9925   91.215   6.9372   95.098   9.5376   86.853   10.109   26.504   1.3442   25.301   1.4941 1.202507 2.009800 
1 1 1   13    8  -45 o   27.295   0.9619  100.314   7.0520   94.072   9.6059  107.610   10.386   26.363   1.3613   28.232   1.3697 -1.869207 1.931051 
1 1 1   13    8  -44 o   32.792   0.8872  144.703   7.8144  142.973   10.359  146.988   11.904   32.570   1.1842   33.007   1.3427 -0.4370728 1.790313 
1 1 1   13    8  -43 o   24.038   1.1043   77.822   7.1299   87.789   10.010   67.557   10.158   25.461   1.4700   22.288   1.7100 3.173069 2.254967 
1 1 1   13    8  -42 o   34.965   0.8677  164.455   8.1484  162.311   11.868  166.367   11.208   34.704   1.2732   35.143   1.1874 -0.4390068 1.740964 
1 1 1   13    8  -41 o   65.829   0.7955  582.724   14.066  586.610   19.799  578.764   19.985   66.007   1.1168   65.561   1.1349 0.4456329 1.592257 
1 1 1   13    8  -40 o   28.099   1.0417  106.253   7.8614  121.946   12.445   95.835   10.141   30.025   1.5485   26.624   1.4232 3.400936 2.103222 
1 1 1   13    8  -39 o   30.196   0.8701  122.619   7.0568  125.929   9.2713  118.061   10.880   30.586   1.1286   29.599   1.3686 0.9871197 1.773872 
1 1 1   13    8  -38 f   58.778   0.7605  464.434   12.006  463.846   16.822  465.044   17.140   58.713   1.0667   58.787   1.0855 -0.7377625E-01 1.521929 
1 1 1   13    8  -37 o   61.566   0.8108  509.548   13.407  494.602   19.664  522.531   18.327   60.619   1.2077   62.319   1.0949 -1.700497 1.630167 
1 1 1   13    8  -36 o   48.983   0.8582  322.549   11.291  317.121   15.488  328.705   16.494   48.546   1.1878   49.420   1.2426 -0.8741798 1.719004 
1 1 1   13    8  -35 o   17.916   1.0219   43.302   4.8973   40.053   6.3807   47.959   7.6397   17.193   1.3937   18.809   1.5254 -1.616144 2.066195 
1 1 1   13    8  -34 o   69.402   0.8688  647.387   16.195  659.368   20.577  627.888   26.251   70.025   1.0941   68.301   1.4310 1.723549 1.801292 
1 1 1   13    8  -33 o   54.219   0.8312  395.055   12.105  393.316   16.766  396.948   17.494   54.083   1.1542   54.329   1.1989 -0.2463531 1.664169 
1 1 1   13    8  -32 o   33.692   0.8176  152.538   7.3984  158.303   9.2088  142.042   12.425   34.318   0.9991   32.493   1.4237 1.825069 1.739275 
1 1 1   13    8  -31 o   42.919   0.8172  247.515   9.4201  245.126   12.499  250.657   14.332   42.703   1.0898   43.176   1.2359 -0.4731331 1.647728 
1 1 1   13    8  -30 o   60.913   0.7685  498.516   12.573  503.737   16.983  492.184   18.703   61.221   1.0328   60.509   1.1508 0.7119179 1.546268 
1 1 1   13    8  -29 o   81.811   0.8576  899.301   18.844  910.262   27.682  889.835   25.724   82.284   1.2525   81.360   1.1772 0.9232712 1.718892 
1 1 1   13    8  -28 o   29.597   0.7378  117.686   5.8652  111.274   7.7558  126.251   8.9643   28.776   1.0035   30.649   1.0889 -1.873514 1.480799 
1 1 1   13    8  -27 o   77.846   0.8031  814.146   16.793  835.937   21.975  783.562   26.034   78.871   1.0373   76.348   1.2696 2.522942 1.639478 
1 1 1   13    8  -26 o   71.580   0.8004  688.338   15.389  678.708   20.162  701.778   23.819   71.069   1.0562   72.259   1.2273 -1.190155 1.619200 
1 1 1   13    8  -25 o   88.800   0.9815  1059.47   23.409  1071.82   31.035  1043.17   35.653   89.300   1.2939   88.086   1.5069 1.214157 1.986213 
1 1 1   13    8  -24 o   94.021   1.0156  1187.69   25.647  1223.86   31.817  1120.58   43.337   95.431   1.2413   91.284   1.7675 4.146805 2.159870 
1 1 1   13    8  -23 o  120.378   1.1447  1947.04   37.012  1879.83   47.010  2056.64   60.029  118.261   1.4800  123.672   1.8072 -5.410789 2.335852 
1 1 1   13    8  -22 o   86.682   0.8440  1009.31   19.650  976.144   27.259  1045.19   28.351   85.235   1.1907   88.198   1.1968 -2.962967 1.688229 
1 1 1   13    8  -21 o   37.854   0.6924  192.464   7.0393  189.706   9.6502  195.601   10.291   37.579   0.9561   38.158   1.0041 -0.5788155 1.386473 
1 1 1   13    8  -20 o   52.135   0.6973  365.069   9.7636  370.368   13.763  359.700   13.853   52.508   0.9759   51.746   0.9967 0.7620735 1.394912 
1 1 1   13    8  -19 o  140.594   1.1822  2655.53   44.641  2725.94   63.999  2588.80   62.299  142.420   1.6731  138.791   1.6712 3.628662 2.364742 
1 1 1   13    8  -18 o  102.639   1.1630  1415.23   32.061  1372.89   44.607  1460.47   46.111  101.076   1.6431  104.250   1.6468 -3.173737 2.326310 
1 1 1   13    8  -17 o  314.512   2.4504 13301.62  207.000 13252.43  292.126 13351.22  293.363  313.724   3.4668  314.891   3.4686 -1.166779 4.904068 
1 1 1   13    8  -16 o  164.672   1.3480  3643.02   59.622  3602.85   83.651  3684.51   85.002  163.732   1.9022  165.576   1.9113 -1.844559 2.696559 
1 1 1   13    8  -15 o  223.865   1.7752  6734.29  106.739  6640.56  149.480  6831.81  152.468  222.235   2.5043  225.411   2.5183 -3.175888 3.551508 
1 1 1   13    8  -14 o  126.613   1.0860  2153.33   36.933  2210.18   52.967  2099.53   51.525  128.260   1.5375  125.008   1.5346 3.251656 2.172295 
1 1 1   13    8  -13 o   32.117   0.8252  138.540   7.1182  155.620   12.181  129.681   8.7720   34.036   1.3324   31.072   1.0511 2.964020 1.697090 
1 1 1   13    8  -12 o  110.172   0.9763  1630.32   28.890  1659.68   41.230  1602.00   40.494  111.151   1.3810  109.203   1.3806 1.948677 1.952772 
1 1 1   13    8  -11 o  275.700   2.2542 10215.91  166.923 10131.71  224.781 10319.43  249.237  274.472   3.0491  276.962   3.3504 -2.489838 4.530149 
1 1 1   13    8  -10 o   38.574   0.7713  199.845   7.9912  213.769   10.185  177.548   12.889   39.894   0.9505   36.356   1.3199 3.538868 1.626576 
1 1 1   13    8   -9 o  100.601   1.0570  1359.38   28.561  1354.32   34.870  1369.68   49.784  100.410   1.2929  100.965   1.8358 -0.5554428 2.245401 
1 1 1   13    8   -8 o  130.201   1.2107  2277.09   42.340  2299.98   55.005  2243.80   66.328  130.845   1.5651  129.226   1.9110 1.618912 2.470122 
1 1 1   13    8   -7 o   79.785   0.9657  854.981   20.694  873.255   24.291  806.620   39.517   80.631   1.1217   77.481   1.8989 3.149902 2.205412 
1 1 1   13    8   -6 o  155.554   1.6740  3250.81   69.939  3275.80   83.284  3191.01  128.814  156.139   1.9859  154.045   3.1133 2.094162 3.692775 
1 1 1   13    8   -5 o  122.480   1.1527  2014.98   37.919  2012.79   53.704  2017.16   53.547  122.403   1.6335  122.536   1.6270 -0.1328430 2.305531 
1 1 1   13    8   -4 o  184.759   1.5538  4585.77   77.106  4620.41  104.944  4545.13  113.666  185.431   2.1071  183.904   2.3012 1.527069 3.120132 
1 1 1   13    8   -3 o  256.386   2.1031  8832.88  144.827  8707.81  212.976  8940.45  197.528  254.476   3.1160  257.880   2.8518 -3.403503 4.223969 
1 1 1   13    8   -2 o  198.645   1.7410  5301.36   92.891  5358.64  147.926  5264.07  119.358  199.655   2.7585  197.919   2.2453 1.736511 3.556769 
1 1 1   13    8   -1 f  366.453   2.8383 18053.15  279.367 18073.02  395.471 18033.36  394.699  366.462   4.0178  366.061   4.0144 0.4016418 5.679657 
1 1 1   13    8    0 o  270.440   2.1179  9827.77  153.837  9932.79  219.007  9725.48  216.137  271.801   3.0000  268.951   2.9920 2.850555 4.236972 
1 1 1   13    8    1 f  182.004   1.4684  4449.84   71.784  4476.85  101.874  4423.22  101.165  182.530   2.0780  181.433   2.0760 1.096527 2.937284 
1 1 1   13    8    2 o   78.870   0.8236  835.465   17.446  823.182   25.894  845.675   23.609   78.284   1.2315   79.348   1.1078 -1.063805 1.656428 
1 1 1   13    8    3 o  107.320   0.9554  1546.94   27.538  1540.82   38.940  1553.06   38.950  107.101   1.3537  107.525   1.3487 -0.4243546 1.910832 
1 1 1   13    8    4 o  168.250   1.3700  3802.59   61.911  3821.88   87.856  3783.56   87.257  168.655   1.9395  167.808   1.9360 0.8474274 2.740341 
1 1 1   13    8    5 o  162.680   1.3308  3554.95   58.150  3582.07   82.648  3528.36   81.832  163.280   1.8845  162.051   1.8801 1.228638 2.661991 
1 1 1   13    8    6 o  234.794   1.8537  7406.91  116.901  7464.29  166.113  7350.60  164.545  235.646   2.6245  233.845   2.6198 1.801102 3.708281 
1 1 1   13    8    7 o  134.260   1.1837  2421.25   42.686  2439.73   63.573  2406.09   57.603  134.756   1.7564  133.828   1.6025 0.9275055 2.377626 
1 1 1   13    8    8 o  174.344   1.4145  4083.19   66.236  4069.10   93.478  4097.41   93.866  174.019   2.0000  174.623   2.0013 -0.6042328 2.829338 
1 1 1   13    8    9 o  107.240   1.0470  1544.71   30.156  1590.96   39.626  1481.06   46.486  108.828   1.3557  104.995   1.6484 3.832741 2.134237 
1 1 1   13    8   10 o   97.773   0.9411  1283.97   24.715  1279.90   33.378  1288.90   36.773   97.612   1.2731   97.952   1.3977 -0.3399963 1.890616 
1 1 1   13    8   11 o  117.069   1.2514  1841.00   39.349  1862.83   56.068  1819.80   55.238  117.747   1.7728  116.380   1.7671 1.367714 2.503145 
1 1 1   13    8   12 o  230.532   2.3893  7143.73  147.942  7021.39  193.615  7315.37  229.334  228.472   3.1551  233.141   3.6623 -4.669312 4.833978 
1 1 1   13    8   13 o   90.340   1.0635  1096.24   25.805  1057.70   32.030  1167.54   43.560   88.733   1.3439   93.217   1.7398 -4.483818 2.198435 
1 1 1   13    8   14 o  236.052   2.0447  7488.61  129.637  7579.92  184.672  7399.89  182.026  237.398   2.8962  234.562   2.8892 2.835358 4.090942 
1 1 1   13    8   15 o   91.587   1.2269  1126.82   30.180  1114.83   42.466  1139.06   42.900   91.085   1.7358   92.070   1.7348 -0.9847717 2.454075 
1 1 1   13    8   16 o   85.205   0.8790  975.116   20.117  968.524   29.750  980.669   27.306   84.908   1.3045   85.441   1.1898 -0.5331726 1.765622 
1 1 1   13    8   17 o   51.977   0.7610  362.864   10.624  370.821   15.825  356.336   14.334   52.540   1.1214   51.505   1.0362 1.035316 1.526839 
1 1 1   13    8   18 o   80.838   0.8954  877.767   19.442  872.858   27.543  882.643   27.448   80.604   1.2722   81.055   1.2608 -0.4508209 1.791123 
1 1 1   13    8   19 o   62.458   0.8133  523.982   13.644  516.784   21.170  529.096   17.845   62.020   1.2709   62.759   1.0586 -0.7384529 1.654015 
1 1 1   13    8   20 o   48.373   0.8759  314.309   11.380  299.789   14.438  338.132   18.493   47.239   1.1379   50.165   1.3725 -2.925877 1.782887 
1 1 1   13    8   21 o   46.452   0.7999  289.839   9.9802  282.993   13.966  296.984   14.267   45.896   1.1329   47.016   1.1298 -1.120884 1.599984 
1 1 1   13    8   22 o   53.501   0.8538  384.497   12.269  369.455   18.201  397.023   16.609   52.435   1.2923   54.360   1.1376 -1.924644 1.721682 
1 1 1   13    8   23 o   43.735   0.7674  256.933   9.0145  241.055   13.108  271.182   12.417   42.356   1.1522   44.927   1.0290 -2.571323 1.544796 
1 1 1   13    8   24 o  103.305   1.0302  1433.86   28.586  1442.95   37.093  1420.57   44.858  103.616   1.3328  102.790   1.6248 0.8260345 2.101510 
1 1 1   13    8   25 o   27.668   0.8346  102.840   6.2023   98.755   8.9729  106.579   8.5827   27.107   1.2324   28.162   1.1347 -1.054901 1.675191 
1 1 1   13    8   26 o   44.348   0.7507  264.202   8.9424  245.579   13.696  278.042   11.807   42.746   1.1929   45.490   0.9663 -2.743622 1.535149 
1 1 1   13    8   27 o   62.895   0.7582  531.420   12.809  507.689   19.108  550.785   17.261   61.460   1.1575   64.022   1.0038 -2.561764 1.532148 
1 1 1   13    8   28 o   99.083   0.9263  1319.17   24.650  1311.90   34.630  1326.65   35.096   98.782   1.3052   99.335   1.3154 -0.5528030 1.853093 
1 1 1   13    8   29 o   15.184   1.3565   31.247   5.4740   28.908   7.5880   33.785   7.9044   14.516   1.9992   15.726   1.9106 -1.209884 2.765373 
1 1 1   13    8   30 o   58.050   0.7710  452.752   12.022  462.634   17.464  443.851   16.574   58.666   1.1083   57.465   1.0738 1.201591 1.543178 
1 1 1   13    8   31 o   66.449   0.7705  593.268   13.752  577.494   19.024  610.534   19.903   65.545   1.0806   67.393   1.0996 -1.847801 1.541675 
1 1 1   13    8   32 o   34.713   0.7759  161.913   7.2341  150.779   9.7622  175.475   10.774   33.490   1.0853   36.128   1.1103 -2.637878 1.552592 
1 1 1   13    8   33 o   57.732   0.7539  447.853   11.690  442.943   16.196  453.194   16.890   57.400   1.0505   58.058   1.0831 -0.6584053 1.508888 
1 1 1   13    8   34 o   90.547   0.9244  1102.09   22.481  1116.89   30.690  1084.95   33.025   91.118   1.2540   89.791   1.3693 1.326981 1.856781 
1 1 1   13    8   35 o   62.415   0.8074  523.591   13.535  504.119   17.790  550.359   20.858   61.224   1.0818   63.959   1.2142 -2.734371 1.626190 
1 1 1   13    8   36 o   38.640   0.9002  200.741   9.3430  202.739   12.308  198.025   14.352   38.817   1.1805   38.348   1.3934 0.4684753 1.826285 
1 1 1   13    8   37 o   41.730   0.8977  234.155   10.062  240.036   13.684  227.232   14.846   42.230   1.2064   41.077   1.3456 1.153034 1.807271 
1 1 1   13    8   38 f   83.029   0.9080  927.116   20.249  920.426   26.844  935.947   30.843   82.685   1.2087   83.348   1.3778 -0.6633759 1.832812 
1 1 1   13    8   39 o   68.570   0.8357  632.243   15.391  644.413   20.444  616.325   23.382   69.194   1.1001   67.642   1.2870 1.552345 1.693051 
1 1 1   13    8   40 o   70.483   0.8593  668.115   16.268  683.982   22.027  649.075   24.130   71.275   1.1506   69.409   1.2944 1.866081 1.731843 
1 1 1   13    8   41 o   27.842   0.9250  104.288   6.9175  112.004   9.5083   95.612   10.083   28.835   1.2277   26.591   1.4169 2.244184 1.874760 
1 1 1   13    8   42 o   27.989   0.9382  105.406   7.0526  100.276   9.6254  111.352   10.363   27.274   1.3140   28.738   1.3426 -1.464546 1.878548 
1 1 1   13    8   43 o   64.308   0.8424  556.311   14.551  558.032   19.729  554.259   21.548   64.362   1.1413   64.124   1.2511 0.2378311 1.693426 
1 1 1   13    8   44 o   49.242   0.9159  326.338   12.113  348.571   18.177  308.579   16.246   50.830   1.3314   47.836   1.2644 2.994011 1.836161 
1 1 1   13    8   45 o   41.258   0.9496  229.183   10.523  222.181   14.621  236.710   15.159   40.571   1.3417   41.875   1.3478 -1.304611 1.901752 
1 1 1   13    8   46 o   31.647   0.9944  134.911   8.4525  140.541   12.269  129.825   11.661   32.251   1.4164   30.999   1.4006 1.251753 1.991921 
1 1 1   13    8   47 o   9.4019   2.6084   12.497   6.8183   10.745   9.0085   14.846   10.433   9.1045   3.0888   10.400   3.3143 -1.295486 4.530431 
1 1 1   13    8   48 o   21.315   1.3546   61.630   7.7152   64.210   10.306   58.340   11.636   21.681   1.7857   20.582   2.1360 1.098452 2.784146 
1 1 1   13    8   49 o   28.465   1.0516  109.218   8.0400  105.325   11.205  113.351   11.544   27.860   1.5029   28.907   1.4919 -1.047100 2.117638 
1 1 1   13    8   50 o   7.2931   2.6656   6.0056   6.8038   15.956   9.4283  -4.8066   9.8282   10.615   3.1080   6.1756   2.7880 4.439857 4.175240 
1 1 1   13    8   51 o   7.9710   2.6999   8.2066   6.8828   9.7883   9.7171   6.6139   9.7505   8.9590   3.1973   8.2087   3.1508 0.7503214 4.488923 
1 1 1   13    8   52 o   43.785   1.1151  258.792   13.114  230.587   19.499  282.084   17.720   41.173   1.7633   45.634   1.4457 -4.461193 2.280190 
1 1 1   13    8   53 o   16.051   2.0351   35.810   8.5768   38.091   12.243   33.612   12.018   16.300   2.9031   15.245   3.0417 1.054349 4.204746 
1 1 1   13    8   54 o   8.2880   3.1358   7.4801   9.5713   0.7540   12.773   16.092   14.454   7.8720   3.3754   10.990   3.9019 -3.118416 5.159305 
1 1 1   13    8   55 o   22.059   1.4586   66.541   8.5932   53.202   13.389   75.883   11.206   19.306   2.6522   23.459   1.7920 -4.152943 3.200796 
1 1 1   13    8   56 o   25.777   2.2719   93.397   15.569  116.100   25.861   80.491   19.498   27.943   3.5241   23.425   3.1812 4.518156 4.747535 
1 1 1   13    8   57 o   14.445   3.2588   31.666   12.343   7.0196   17.132   58.265   17.798   9.5856   3.9989   19.572   3.5148 -9.986434 5.324031 
1 1 1   13    9  -57 o   10.959   4.2316   16.046   17.662   49.870   28.477  -5.1010   22.516   16.559   5.4905   9.1596   4.1687 7.398999 6.893747 
1 1 1   13    9  -56 o   11.174   4.5732   13.170   21.834   0.0000   0.0000   13.170   21.834  ?   ?    11.174   4.5732 0.000000 4.573193 
1 1 1   13    9  -55 o   19.058   2.5800   51.972   12.867   56.976   18.587   47.368   17.830   19.386   3.7048   17.538   3.8871 1.847294 5.369792 
1 1 1   13    9  -54 o   29.127   1.9592  117.225   15.238  138.858   22.647   99.327   20.599   31.319   2.7191   26.325   2.9649 4.993866 4.023010 
1 1 1   13    9  -53 o   18.211   2.7122   47.205   12.861   44.898   19.184   49.088   17.333   17.162   4.1967   18.184   3.6752 -1.022682 5.578503 
1 1 1   13    9  -52 o   8.4880   2.8276   9.6025   7.5495   13.340   9.8105   4.1747   11.822   9.8558   3.2205   8.2200   3.3647 1.635813 4.657558 
1 1 1   13    9  -51 o   29.125   1.0242  114.411   8.0120  124.511   11.006  103.025   11.686   30.336   1.3508   27.511   1.5882 2.824602 2.084928 
1 1 1   13    9  -50 o   35.782   0.9291  172.494   8.9290  165.903   12.301  179.836   12.982   35.036   1.3071   36.475   1.3251 -1.438400 1.861322 
1 1 1   13    9  -49 o   15.508   1.6877   32.992   6.9160   34.463   10.099   31.693   9.4909   15.672   2.4819   15.027   2.4348 0.6447763 3.476832 
1 1 1   13    9  -48 o   8.4579   2.4573   10.011   5.9142   14.139   8.1022   5.3023   8.6527   9.9970   2.8680   7.6235   2.9567 2.373555 4.119200 
1 1 1   13    9  -47 o   60.221   0.8609  488.258   13.925  480.678   19.563  496.043   19.826   59.677   1.2205   60.624   1.2176 -0.9469872 1.723967 
1 1 1   13    9  -46 o   20.910   1.1434   59.140   6.3970   55.321   8.6376   63.781   9.5203   20.148   1.6096   21.635   1.6508 -1.487062 2.305578 
1 1 1   13    9  -45 o   28.520   0.9297  109.529   7.1221  111.220   9.5794  107.438   10.650   28.709   1.2423   28.198   1.4061 0.5112667 1.876294 
1 1 1   13    9  -44 o   26.486   1.0368   94.503   7.3759  103.035   10.809   87.066   10.091   27.576   1.4646   25.339   1.4892 2.237257 2.088692 
1 1 1   13    9  -43 o   18.951   1.3839   48.727   6.9957   52.639   9.1654   43.267   10.828   19.643   1.7557   17.677   2.3379 1.965931 2.923785 
1 1 1   13    9  -42 o   43.574   0.7831  255.365   9.1654  261.974   12.701  248.184   13.239   44.106   1.0721   42.921   1.1484 1.185215 1.571087 
1 1 1   13    9  -41 o   16.787   1.1939   38.155   5.3480   39.973   6.9894   35.587   8.3065   17.140   1.5344   16.094   1.9623 1.046701 2.490983 
1 1 1   13    9  -40 o   40.800   0.8136  223.860   8.9156  235.852   11.755  207.619   13.680   41.860   1.0455   39.250   1.2976 2.609276 1.666413 
1 1 1   13    9  -39 o   36.383   0.9535  178.085   9.3181  184.182   14.706  173.996   12.044   36.953   1.4817   35.939   1.2477 1.013844 1.937070 
1 1 1   13    9  -38 o   15.947   1.1783   34.426   5.0113   33.016   6.4998   36.492   7.8688   15.565   1.5765   16.334   1.8248 -0.7691507 2.411501 
1 1 1   13    9  -37 o   23.300   0.9961   73.033   6.2338   80.106   8.9950   66.495   8.6472   24.344   1.3814   22.163   1.4608 2.181028 2.010518 
1 1 1   13    9  -36 o   46.763   0.7876  293.965   9.8920  306.037   14.743  284.081   13.341   47.687   1.1511   45.950   1.0809 1.736729 1.579030 
1 1 1   13    9  -35 o   27.872   0.8677  104.441   6.4961  108.863   8.1757   96.871   10.699   28.448   1.0700   26.774   1.4937 1.674620 1.837394 
1 1 1   13    9  -34 o   38.703   0.7490  201.309   7.7859  207.206   10.653  194.547   11.407   39.255   1.0104   38.031   1.1168 1.223461 1.505999 
1 1 1   13    9  -33 o   30.668   0.8740  126.419   7.1992  130.455   8.5716  116.754   13.264   31.149   1.0245   29.390   1.6873 1.758671 1.974018 
1 1 1   13    9  -32 o   10.970   2.2724   16.844   6.4755   15.716   9.8392   17.706   8.6007   10.698   3.1863   11.222   2.8485 -0.5243549 4.273963 
1 1 1   13    9  -31 o   39.152   0.7781  205.973   8.1819  208.673   10.483  201.766   13.087   39.401   0.9906   38.733   1.2580 0.6682205 1.601205 
1 1 1   13    9  -30 o  113.811   1.1702  1741.51   35.771  1681.09   42.721  1883.21   65.426  111.788   1.4228  118.207   2.0607 -6.419266 2.504184 
1 1 1   13    9  -29 o   93.877   0.9312  1184.34   23.479  1158.82   28.904  1233.87   40.257   92.843   1.1591   95.761   1.5652 -2.918129 1.947622 
1 1 1   13    9  -28 o   89.630   0.9001  1079.49   21.669  1070.77   28.699  1091.07   33.050   89.246   1.1972   90.074   1.3661 -0.8280334 1.816478 
1 1 1   13    9  -27 o   58.299   0.9057  456.700   14.182  433.750   22.142  472.665   18.467   56.791   1.4516   59.299   1.1595 -2.508259 1.857807 
1 1 1   13    9  -26 o  145.480   1.1718  2844.75   45.788  2849.27   62.262  2839.44   67.573  145.542   1.5927  145.270   1.7318 0.2723999 2.352873 
1 1 1   13    9  -25 o  155.267   1.2880  3240.66   53.715  3261.62   76.164  3219.92   75.768  155.694   1.8213  154.695   1.8236 0.9988556 2.577311 
1 1 1   13    9  -24 o  120.581   1.1507  1953.99   37.267  1920.15   57.970  1977.83   48.652  119.472   1.8065  121.286   1.4935 -1.813881 2.343949 
1 1 1   13    9  -23 o  131.910   1.2946  2338.61   45.866  2333.61   68.569  2342.66   61.702  131.704   1.9384  131.982   1.7406 -0.2775421 2.605170 
1 1 1   13    9  -22 o   22.836   0.8797   70.054   5.3959   68.437   6.8619   72.674   8.7343   22.539   1.1371   23.210   1.4077 -0.6707039 1.809631 
1 1 1   13    9  -21 o   11.539   1.3217   18.128   4.0224   16.449   5.1269   20.817   6.4874   10.916   1.8123   12.278   2.0388 -1.362106 2.727787 
1 1 1   13    9  -20 f  135.487   1.1990  2466.43   43.633  2404.64   63.620  2521.31   59.955  133.740   1.7711  136.957   1.6299 -3.217270 2.406913 
1 1 1   13    9  -19 o   82.356   0.8192  911.063   18.122  906.364   25.502  915.858   25.757   82.135   1.1560   82.564   1.1615 -0.4288940 1.638683 
1 1 1   13    9  -18 o   50.387   0.7611  341.007   10.300  319.051   14.081  366.273   15.105   48.733   1.0757   52.216   1.0770 -3.482029 1.522247 
1 1 1   13    9  -17 o   47.724   0.7788  305.915   9.9822  292.717   12.279  331.636   17.141   46.681   0.9794   49.683   1.2845 -3.001980 1.615291 
1 1 1   13    9  -16 o   58.586   0.7178  461.004   11.295  451.864   15.754  470.673   16.203   57.999   1.0113   59.193   1.0191 -1.194649 1.435748 
1 1 1   13    9  -15 o  189.204   1.5924  4810.34   80.922  4754.86  108.762  4879.13  121.115  188.066   2.1532  190.486   2.3672 -2.420731 3.199979 
1 1 1   13    9  -14 o  229.290   1.8971  7065.89  116.831  7150.44  159.271  6967.40  171.899  230.584   2.5717  227.582   2.8122 3.001770 3.810768 
1 1 1   13    9  -13 f  138.467   1.2188  2575.64   45.329  2570.93   61.211  2581.37   67.452  138.323   1.6476  138.596   1.8120 -0.2726746 2.449022 
1 1 1   13    9  -12 o  141.790   1.3713  2700.92   52.225  2635.95   76.918  2756.49   71.134  140.044   2.0449  143.221   1.8492 -3.176636 2.757008 
1 1 1   13    9  -11 o  194.617   1.7113  5089.24   89.455  5130.74  126.957  5048.31  126.066  195.357   2.4196  193.781   2.4221 1.575790 3.423580 
1 1 1   13    9  -10 o  220.348   1.7487  6523.93  103.496  6466.40  145.540  6582.79  147.205  219.316   2.4707  221.280   2.4768 -1.964340 3.498402 
1 1 1   13    9   -9 o  161.462   1.3822  3502.20   59.943  3466.46   80.682  3546.22   89.555  160.615   1.8702  162.442   2.0526 -1.827454 2.776850 
1 1 1   13    9   -8 o   57.765   0.8147  448.170   12.641  464.745   19.191  435.468   16.800   58.820   1.2147   56.938   1.0986 1.881596 1.637801 
1 1 1   13    9   -7 f  210.579   1.7505  5958.01   99.005  6030.05  135.086  5874.41  145.525  211.805   2.3746  209.036   2.5919 2.769012 3.515211 
1 1 1   13    9   -6 o   96.329   1.0285  1246.37   26.609  1237.52   35.601  1257.57   40.055   95.980   1.3810   96.751   1.5414 -0.7707977 2.069518 
1 1 1   13    9   -5 o   99.371   1.0475  1326.34   27.957  1401.48   38.685  1244.19   40.449  102.140   1.4101   96.234   1.5649 5.905769 2.106490 
1 1 1   13    9   -4 o  142.819   1.5619  2740.25   59.914  2810.33   80.692  2654.15   89.445  144.613   2.0774  140.523   2.3698 4.089676 3.151475 
1 1 1   13    9   -3 o  143.123   1.3798  2751.72   53.042  2751.64   71.257  2751.82   79.432  143.105   1.8539  143.101   2.0666 0.4028320E-02 2.776289 
1 1 1   13    9   -2 o  134.034   1.2404  2413.19   44.655  2455.72   58.258  2352.61   69.532  135.200   1.6043  132.319   1.9565 2.881042 2.530120 
1 1 1   13    9   -1 o  168.141   1.5009  3797.96   67.783  3850.92   88.258  3721.81  105.838  169.290   1.9410  166.406   2.3680 2.884323 3.061863 
1 1 1   13    9    0 o   82.854   0.9419  922.020   20.961  899.440   25.401  970.216   37.111   81.830   1.1557   84.981   1.6259 -3.150505 1.994783 
1 1 1   13    9    1 o  227.098   1.9694  6930.01  120.124  7070.65  157.063  6731.82  186.454  229.346   2.5497  223.733   3.1028 5.613724 4.015995 
1 1 1   13    9    2 o   57.177   0.9304  439.097   14.288  453.501   19.615  422.814   20.855   58.104   1.2569   56.103   1.3840 2.001705 1.869572 
1 1 1   13    9    3 o  158.538   1.4267  3376.45   60.753  3387.35   78.631  3360.31   95.696  158.778   1.8438  158.123   2.2532 0.6546478 2.911468 
1 1 1   13    9    4 o  147.876   1.3451  2937.48   53.427  2951.27   69.214  2917.15   84.039  148.209   1.7387  147.334   2.1237 0.8757172 2.744639 
1 1 1   13    9    5 o   62.852   1.0218  530.610   17.249  542.975   21.547  508.546   28.783   63.578   1.2618   61.523   1.7418 2.055412 2.150839 
1 1 1   13    9    6 o  278.502   2.3872 10425.63  178.568 10353.15  229.564 10536.67  284.144  277.451   3.0805  279.796   3.7810 -2.344330 4.877042 
1 1 1   13    9    7 f   95.899   1.0891  1235.29   28.053  1217.11   32.217  1292.29   57.051   95.187   1.2601   98.059   2.1661 -2.871666 2.506001 
1 1 1   13    9    8 o   69.626   0.8643  651.113   16.164  640.074   19.787  673.256   28.025   69.031   1.0672   70.792   1.4739 -1.760765 1.819687 
1 1 1   13    9    9 o  169.142   1.3789  3843.28   62.644  3753.97   87.337  3937.92   89.902  167.138   1.9455  171.184   1.9553 -4.045654 2.758297 
1 1 1   13    9   10 o  138.174   1.1632  2564.59   43.168  2555.39   60.927  2573.87   61.170  137.910   1.6448  138.408   1.6455 -0.4976349 2.326590 
1 1 1   13    9   11 o  168.652   1.5066  3821.39   68.246  3888.03   97.610  3757.66   95.455  170.080   2.1367  167.205   2.1255 2.875122 3.013859 
1 1 1   13    9   12 o  144.550   1.3238  2807.00   51.397  2808.27   72.896  2805.75   72.478  144.558   1.8775  144.494   1.8675 0.6457520E-01 2.648111 
1 1 1   13    9   13 f  246.638   2.2454  8177.55  148.747  8264.01  259.132  8135.06  181.655  247.687   3.8952  245.934   2.7500 1.752213 4.768120 
1 1 1   13    9   14 o   44.224   0.8861  262.695   10.525  240.675   16.772  276.998   13.518   42.324   1.4754   45.410   1.1083 -3.086170 1.845301 
1 1 1   13    9   15 o   70.504   0.8803  667.672   16.670  679.451   25.292  658.625   22.166   71.115   1.3241   70.020   1.1786 1.095474 1.772677 
1 1 1   13    9   16 o  165.570   1.4188  3683.30   63.097  3726.38   94.193  3648.24   84.981  166.486   2.1065  164.746   1.9205 1.739822 2.850525 
1 1 1   13    9   17 o  194.467   1.6342  5082.28   85.360  5108.77  127.012  5060.47  115.274  194.891   2.4264  193.992   2.2124 0.8981781 3.283587 
1 1 1   13    9   18 o   85.313   0.8426  977.648   19.308  995.163   27.407  960.390   27.205   86.065   1.1856   84.548   1.1980 1.517395 1.685471 
1 1 1   13    9   19 o   60.712   0.7401  495.092   12.068  502.049   16.981  487.992   17.153   61.132   1.0342   60.270   1.0596 0.8624153 1.480682 
1 1 1   13    9   20 f   60.041   0.8099  484.230   13.061  490.472   20.421  479.910   16.990   60.417   1.2585   59.768   1.0584 0.6493492 1.644333 
1 1 1   13    9   21 o   82.581   0.9151  916.142   20.298  929.527   28.899  903.109   28.516   83.169   1.2937   81.979   1.2951 1.190437 1.830531 
1 1 1   13    9   22 o   69.084   0.8959  641.155   16.623  611.105   24.542  666.627   22.595   67.431   1.3551   70.433   1.1944 -3.002708 1.806315 
1 1 1   13    9   23 o   94.769   1.0335  1206.73   26.306  1200.57   35.442  1214.28   39.256   94.507   1.3962   95.036   1.5379 -0.5286942 2.077151 
1 1 1   13    9   24 o   76.604   0.8850  788.402   18.209  780.163   28.769  793.909   23.520   76.179   1.4060   76.861   1.1393 -0.6818161 1.809689 
1 1 1   13    9   25 o  130.185   1.1709  2277.86   40.942  2298.28   61.057  2261.18   55.189  130.705   1.7392  129.665   1.5847 1.040192 2.352878 
1 1 1   13    9   26 o   18.414   1.2386   45.788   6.0906   41.404   9.3809   48.982   8.0079   17.417   2.0441   19.018   1.5821 -1.600191 2.584866 
1 1 1   13    9   27 o   34.892   0.8646  163.585   8.1030  139.390   13.589  176.936   10.094   32.190   1.5717   36.284   1.0357 -4.094360 1.882272 
1 1 1   13    9   28 o   52.122   0.8170  365.015   11.438  355.657   18.182  371.145   14.715   51.429   1.3163   52.549   1.0425 -1.120178 1.679111 
1 1 1   13    9   29 o   27.355   0.8489  100.548   6.2372   95.109   8.8998  105.798   8.7438   26.596   1.2459   28.053   1.1605 -1.456959 1.702597 
1 1 1   13    9   30 o   73.473   0.8336  725.387   16.451  708.682   21.887  747.079   24.942   72.605   1.1224   74.537   1.2458 -1.931786 1.676852 
1 1 1   13    9   31 o   32.101   0.7837  138.463   6.7568  136.217   9.1037  141.217   10.082   31.832   1.0648   32.408   1.1583 -0.5759811 1.573357 
1 1 1   13    9   32 o   59.235   0.7936  471.514   12.627  469.625   18.560  473.143   17.228   59.094   1.1693   59.321   1.0813 -0.2268448 1.592643 
1 1 1   13    9   33 o   52.314   0.7926  367.789   11.137  381.747   14.859  349.896   16.823   53.284   1.0382   51.000   1.2281 2.283581 1.608141 
1 1 1   13    9   34 o   80.749   0.8774  876.518   19.029  891.002   25.651  858.793   28.375   81.382   1.1735   79.879   1.3226 1.503296 1.768141 
1 1 1   13    9   35 o   59.171   0.9838  470.841   15.635  491.520   26.212  459.420   19.480   60.385   1.6161   58.425   1.2414 1.960636 2.037858 
1 1 1   13    9   36 o   29.459   0.8650  116.682   6.8442  116.635   9.0661  116.746   10.436   29.440   1.1466   29.444   1.3197 -0.4083633E-02 1.748170 
1 1 1   13    9   37 o   55.283   0.7725  410.865   11.470  397.872   15.701  425.733   16.796   54.376   1.0751   56.244   1.1119 -1.867722 1.546615 
1 1 1   13    9   38 o   82.417   0.8254  913.372   18.272  912.728   24.592  914.166   27.303   82.345   1.1119   82.388   1.2338 -0.4290771E-01 1.660900 
1 1 1   13    9   39 o   42.260   0.8213  240.161   9.3222  231.786   11.149  259.618   16.994   41.503   1.0002   43.878   1.4420 -2.374504 1.754891 
1 1 1   13    9   40 o   30.681   0.8926  126.622   7.3558  129.361   8.7333  119.933   13.646   31.001   1.0488   29.744   1.7153 1.256556 2.010573 
1 1 1   13    9   41 o   44.115   0.7993  261.733   9.4705  271.843   13.168  250.900   13.631   44.932   1.0911   43.157   1.1759 1.774639 1.604146 
1 1 1   13    9   42 o   29.244   0.9940  115.126   7.8080  123.305   11.480  108.086   10.651   30.229   1.4140   28.303   1.4010 1.925648 1.990522 
1 1 1   13    9   43 o   29.639   1.0262  118.296   8.1695  114.285   12.348  121.418   10.895   29.034   1.5895   29.997   1.3522 -0.9633255 2.086875 
1 1 1   13    9   44 o   21.194   1.4582   60.973   8.2501   71.231   12.489   53.030   10.989   22.803   2.0614   19.636   2.1171 3.166222 2.954914 
1 1 1   13    9   45 o   60.993   0.8553  500.737   14.012  494.907   18.755  508.102   21.081   60.581   1.1526   61.354   1.2793 -0.7731285 1.721920 
1 1 1   13    9   46 o   25.164   1.1819   85.430   7.9881   84.838   10.050   86.446   13.163   24.998   1.5039   25.139   1.9651 -0.1413918 2.474512 
1 1 1   13    9   47 o   9.6349   2.5431   13.195   6.6776   16.162   8.9408   9.4515   10.042   10.658   2.9977   8.9548   3.2435 1.702759 4.416635 
1 1 1   13    9   48 o   20.342   1.3867   56.191   7.5311   55.877   10.803   56.488   10.504   20.160   2.0224   20.287   1.9519 -0.1270046 2.810690 
1 1 1   13    9   49 o   47.344   0.9077  301.885   11.543  300.397   16.965  303.167   15.750   47.147   1.3397   47.386   1.2375 -0.2386780 1.823796 
1 1 1   13    9   50 o   25.856   1.1384   90.216   7.9060   83.555   10.826   97.827   11.573   24.768   1.6366   26.813   1.6145 -2.045048 2.298920 
1 1 1   13    9   51 o   55.222   0.9048  410.901   13.420  413.233   17.860  407.877   20.338   55.308   1.2023   54.897   1.3793 0.4106827 1.829758 
1 1 1   13    9   52 o   16.588   2.3661   38.613   10.243   39.875   14.325   37.292   14.652   16.545   3.3387   15.930   3.5184 0.6145754 4.850347 
1 1 1   13    9   53 o   45.918   1.0741  284.949   13.247  273.846   18.555  296.493   18.919   44.866   1.5397   46.696   1.5084 -1.830402 2.155484 
1 1 1   13    9   54 o   26.916   1.5297   99.060   11.013  105.732   14.292   89.306   17.280   27.665   1.9356   25.133   2.5973 2.532734 3.239244 
1 1 1   13    9   55 o   15.997   3.4293   38.533   14.291   57.217   18.755   12.660   22.070   19.411   3.7327   11.278   4.6047 8.133440 5.927620 
1 1 1   13    9   56 o   17.390   2.4128   43.332   10.966   47.788   17.975   40.689   13.841   17.462   3.9278   16.446   3.2486 1.015440 5.097120 
1 1 1   13    9   57 o   21.126   2.0530   62.961   11.502   70.220   18.948   58.725   14.474   21.492   3.3951   20.018   2.7660 1.474598 4.379226 
1 1 1   13   10  -56 o   24.918   2.9050   91.153   19.078   0.0000   0.0000   91.153   19.078  ?   ?    24.918   2.9050 0.000000 2.905029 
1 1 1   13   10  -55 f   9.6678   3.6596   11.539   13.040   2.0285   16.333   28.260   21.655   8.7744   3.7901   13.456   4.7762 -4.681211 6.097264 
1 1 1   13   10  -54 o   29.765   1.8983  122.585   15.097  124.539   22.528  120.992   20.340   29.450   2.8850   29.188   2.6226 0.2629757 3.898855 
1 1 1   13   10  -53 o   22.502   2.3316   70.997   13.887   47.934   19.971   92.590   19.324   17.594   4.2694   25.465   2.8756 -7.870899 5.147532 
1 1 1   13   10  -52 o   33.878   1.5492  156.127   14.097  162.420   20.545  150.528   19.377   34.247   2.2460   32.984   2.1998 1.262379 3.143841 
1 1 1   13   10  -51 o   19.154   1.6422   50.233   8.3668   54.060   10.632   44.007   13.560   19.778   2.0302   17.529   2.9872 2.249126 3.611760 
1 1 1   13   10  -50 o   27.204   1.0580   99.846   7.7310  109.836   10.619   88.579   11.277   28.486   1.3879   25.487   1.6563 2.998777 2.160939 
1 1 1   13   10  -49 o   33.289   0.9420  149.319   8.4227  146.397   11.710  152.452   12.124   32.908   1.3248   33.579   1.3443 -0.6703453 1.887374 
1 1 1   13   10  -48 o   14.336   1.6832   28.250   6.3580   21.538   8.5113   36.724   9.5634   12.285   2.6568   16.244   2.2526 -3.959267 3.483214 
1 1 1   13   10  -47 o   23.065   1.0779   71.735   6.6777   73.866   8.9965   69.122   9.9649   23.323   1.4432   22.518   1.6593 0.8048019 2.199109 
1 1 1   13   10  -46 f   24.677   1.0522   82.093   6.9741   76.200   9.3851   89.361   10.422   23.685   1.4827   25.649   1.5196 -1.964294 2.123142 
1 1 1   13   10  -45 o   20.917   1.2107   59.238   6.7726   62.094   9.5917   56.398   9.5642   21.337   1.6875   20.312   1.7708 1.024824 2.446071 
1 1 1   13   10  -44 f   16.243   1.4869   35.970   6.4149   46.198   9.2655   26.554   8.8903   18.347   1.9082   13.724   2.5041 4.622670 3.148248 
1 1 1   13   10  -43 o   32.548   0.9573  142.645   8.3683  142.706   11.738  142.581   11.934   32.513   1.3441   32.495   1.3673 0.1719666E-01 1.917343 
1 1 1   13   10  -42 o   40.450   0.8356  220.137   9.0781  222.801   11.817  216.303   14.180   40.668   1.0819   40.041   1.3185 0.6275406 1.705562 
1 1 1   13   10  -41 o   70.249   0.8168  663.828   15.412  681.583   21.671  645.658   21.922   71.129   1.1343   69.220   1.1791 1.908653 1.636171 
1 1 1   13   10  -40 o   40.796   0.7695  223.812   8.4313  225.723   11.469  221.564   12.436   40.947   1.0429   40.558   1.1416 0.3889465 1.546260 
1 1 1   13   10  -39 o   29.091   0.9343  113.864   7.3004  105.640   9.6466  124.887   11.168   27.998   1.2828   30.434   1.3662 -2.436615 1.874095 
1 1 1   13   10  -38 o   42.498   0.8982  242.948   10.252  254.558   15.952  234.778   13.382   43.455   1.3668   41.751   1.1933 1.703693 1.814419 
1 1 1   13   10  -37 o   26.112   1.0124   91.746   7.1003   99.535   10.755   85.728   9.4533   27.127   1.4817   25.179   1.4034 1.947882 2.040797 
1 1 1   13   10  -36 o   49.766   0.7992  332.989   10.683  343.398   15.879  324.383   14.439   50.505   1.1706   49.095   1.0950 1.410675 1.602887 
1 1 1   13   10  -35 o   58.448   0.8183  459.281   12.846  464.039   17.724  454.017   18.644   58.721   1.1238   58.076   1.1952 0.6454659 1.640563 
1 1 1   13   10  -34 o   35.834   0.8142  172.616   7.8364  170.353   9.8241  176.574   12.994   35.588   1.0278   36.212   1.3360 -0.6244049 1.685549 
1 1 1   13   10  -33 o   55.693   0.7417  416.846   11.095  420.021   15.308  413.333   16.103   55.886   1.0198   55.435   1.0815 0.4514999 1.486474 
1 1 1   13   10  -32 o   55.039   0.7352  407.079   10.869  418.706   13.826  388.271   17.585   55.809   0.9224   53.723   1.2187 2.086655 1.528398 
1 1 1   13   10  -31 o   39.575   0.9207  210.521   9.7870  212.258   15.086  209.259   12.861   39.714   1.4143   39.443   1.2139 0.2706261 1.863846 
1 1 1   13   10  -30 o   52.143   0.7530  365.338   10.546  363.509   12.684  369.433   18.981   52.006   0.9080   52.403   1.3486 -0.3969917 1.625785 
1 1 1   13   10  -29 o   69.113   0.8969  641.931   16.649  658.245   20.128  606.581   29.629   69.975   1.0709   67.127   1.6433 2.848206 1.961473 
1 1 1   13   10  -28 o   44.194   0.7487  262.415   8.8871  279.830   10.812  226.134   15.606   45.633   0.8821   41.001   1.4171 4.631821 1.669193 
1 1 1   13   10  -27 o   50.583   0.7861  343.771   10.680  335.007   14.234  355.061   16.155   49.924   1.0615   51.392   1.1704 -1.467777 1.580058 
1 1 1   13   10  -26 o  126.207   1.2622  2141.53   42.785  2096.07   62.923  2180.63   58.350  124.773   1.8776  127.293   1.7067 -2.520050 2.537316 
1 1 1   13   10  -25 o   83.824   0.8806  944.117   19.826  980.733   26.995  901.243   29.211   85.417   1.1767   81.871   1.3284 3.545174 1.774600 
1 1 1   13   10  -24 o   58.442   0.7680  458.849   12.056  465.482   16.140  450.477   18.131   58.855   1.0210   57.892   1.1660 0.9620628 1.549898 
1 1 1   13   10  -23 o   28.346   0.8842  107.951   6.7318  103.859   8.1853  116.503   11.833   27.800   1.0962   29.396   1.5038 -1.596344 1.860926 
1 1 1   13   10  -22 o  106.630   1.1136  1527.92   31.892  1478.26   46.552  1571.85   43.781  104.842   1.6531  108.123   1.5076 -3.280907 2.237309 
1 1 1   13   10  -21 o   91.496   1.0714  1124.88   26.329  1157.08   33.868  1075.68   41.858   92.782   1.3590   89.433   1.7426 3.348465 2.209856 
1 1 1   13   10  -20 o   82.584   0.8612  916.197   19.102  904.612   25.534  930.921   28.786   82.049   1.1586   83.228   1.2877 -1.178932 1.732247 
1 1 1   13   10  -19 o  133.311   1.1864  2387.96   42.482  2421.47   57.788  2348.56   62.664  134.213   1.6031  132.163   1.7653 2.050064 2.384567 
1 1 1   13   10  -18 o   72.205   0.8077  700.326   15.665  690.581   20.883  712.864   23.687   71.695   1.0845   72.838   1.2108 -1.143753 1.625436 
1 1 1   13   10  -17 o  116.899   1.0731  1835.87   33.692  1838.94   45.505  1832.15   50.126  116.979   1.4483  116.753   1.5985 0.2250748 2.157006 
1 1 1   13   10  -16 o  110.228   0.9833  1632.20   29.113  1619.10   40.907  1645.65   41.441  109.769   1.3875  110.665   1.3942 -0.8961487 1.966948 
1 1 1   13   10  -15 o  129.488   1.1579  2252.61   40.270  2221.12   53.984  2292.12   60.465  128.561   1.5634  130.590   1.7239 -2.029221 2.327222 
1 1 1   13   10  -14 o   77.555   0.8369  807.909   17.433  810.589   23.526  804.645   25.961   77.678   1.1276   77.390   1.2490 0.2882309 1.682682 
1 1 1   13   10  -13 o   51.411   0.7411  355.003   10.234  359.047   13.680  349.864   15.421   51.700   0.9851   51.033   1.1250 0.6672249 1.495397 
1 1 1   13   10  -12 o  261.511   2.1456  9193.96  150.705  9198.09  204.098  9189.02  223.476  261.453   2.9064  261.273   3.1845 0.1799622 4.311398 
1 1 1   13   10  -11 o  183.827   1.6260  4540.79   80.280  4533.25  126.555  4545.87  103.849  183.594   2.5664  183.893   2.1025 -0.2990875 3.317718 
1 1 1   13   10  -10 o   49.505   0.7554  329.162   10.044  324.151   14.175  334.214   14.232   49.124   1.0744   49.880   1.0623 -0.7567825 1.510889 
1 1 1   13   10   -9 o  130.052   1.2169  2272.08   42.508  2247.39   59.850  2297.22   60.384  129.324   1.7230  130.750   1.7194 -1.426041 2.434183 
1 1 1   13   10   -8 o  321.820   2.6160 13927.23  226.124 14042.43  337.229 13833.13  304.799  322.889   3.8885  320.554   3.5401 2.334961 5.258598 
1 1 1   13   10   -7 o  105.640   1.0416  1499.01   29.556  1504.10   41.998  1494.02   41.600  105.808   1.4778  105.453   1.4687 0.3546906 2.083543 
1 1 1   13   10   -6 o   60.754   0.7564  495.740   12.343  487.269   18.506  502.528   16.566   60.228   1.1440   61.166   1.0084 -0.9374046 1.524953 
1 1 1   13   10   -5 o  249.348   2.0507  8356.05  137.339  8204.43  201.282  8488.14  187.863  246.965   3.0344  251.231   2.7840 -4.266479 4.118094 
1 1 1   13   10   -4 o  143.688   1.3131  2773.54   50.679  2795.05   65.787  2742.15   79.481  144.229   1.6982  142.840   2.0717 1.389175 2.678763 
1 1 1   13   10   -3 o  104.430   1.1490  1464.92   32.229  1458.79   40.781  1475.14   52.598  104.204   1.4571  104.774   1.8691 -0.5699005 2.369898 
1 1 1   13   10   -2 o   72.042   0.7597  697.075   14.700  684.748   20.723  709.560   20.855   71.399   1.0806   72.681   1.0683 -1.282249 1.519544 
1 1 1   13   10   -1 o   84.476   0.8245  958.469   18.708  939.216   26.287  978.227   26.630   83.618   1.1704   85.337   1.1618 -1.719040 1.649183 
1 1 1   13   10    0 o   57.259   0.7037  440.332   10.823  447.014   15.489  433.957   15.129   57.689   0.9996   56.840   0.9910 0.8487015 1.407564 
1 1 1   13   10    1 o   53.871   0.9873  389.797   14.285  396.551   25.200  386.600   17.341   54.326   1.7270   53.647   1.2034 0.6789398 2.104992 
1 1 1   13   10    2 o  205.248   1.6384  5660.03   90.321  5671.36  127.995  5648.79  127.473  205.405   2.3200  204.997   2.3152 0.4087067 3.277562 
1 1 1   13   10    3 o  174.971   1.4195  4112.89   66.713  4073.97   93.818  4152.70   94.883  174.111   2.0062  175.785   2.0096 -1.674103 2.839595 
1 1 1   13   10    4 o  151.973   1.2572  3102.52   51.316  3067.72   72.133  3138.17   73.019  151.097   1.7774  152.822   1.7789 -1.725128 2.514713 
1 1 1   13   10    5 o  173.661   1.4111  4051.56   65.821  4143.91   94.339  3963.97   91.881  175.598   2.0002  171.743   1.9918 3.854141 2.822825 
1 1 1   13   10    6 o  105.514   1.0380  1495.43   29.418  1552.55   38.848  1418.64   45.041  107.503   1.3454  102.754   1.6320 4.748680 2.115078 
1 1 1   13   10    7 o  101.993   0.9684  1397.26   26.529  1391.95   35.889  1403.66   39.392  101.791   1.3127  102.215   1.4348 -0.4242325 1.944698 
1 1 1   13   10    8 o   91.599   0.8669  1126.95   21.329  1128.77   30.243  1125.15   30.084   91.666   1.2284   91.519   1.2239 0.1470642 1.733986 
1 1 1   13   10    9 o   82.478   0.8993  913.718   19.923  928.044   28.525  900.073   27.838   83.115   1.2778   81.854   1.2662 1.261894 1.798906 
1 1 1   13   10   10 o  169.444   1.3823  3857.35   62.910  3938.05   90.049  3780.41   87.926  171.173   1.9586  167.712   1.9519 3.460678 2.765170 
1 1 1   13   10   11 o  103.281   0.9787  1432.82   27.149  1440.81   36.975  1423.46   39.990  103.559   1.3293  102.930   1.4465 0.6292419 1.964555 
1 1 1   13   10   12 o  202.850   1.8748  5530.48  102.148  5655.31  179.206  5470.41  124.322  204.959   3.2553  201.704   2.2948 3.254501 3.982869 
1 1 1   13   10   13 o   91.018   1.0682  1112.86   26.114  1056.86   41.544  1149.44   33.577   88.678   1.7442   92.494   1.3516 -3.816010 2.206584 
1 1 1   13   10   14 o  159.475   1.5166  3417.50   64.964  3495.82   98.905  3358.08   86.154  161.231   2.2839  158.046   2.0296 3.185822 3.055373 
1 1 1   13   10   15 o   98.323   1.0539  1298.70   27.833  1281.67   41.379  1312.77   37.615   97.658   1.5775   98.842   1.4168 -1.184349 2.120378 
1 1 1   13   10   16 o  121.341   1.0553  1977.99   34.392  1935.65   48.015  2022.60   49.286  120.016   1.4895  122.682   1.4957 -2.665680 2.110884 
1 1 1   13   10   17 o   29.448   0.8303  116.485   6.5671  118.773   9.1072  114.007   9.4787   29.733   1.1404   29.129   1.2115 0.6033688 1.663800 
1 1 1   13   10   18 o   69.542   0.7967  649.606   14.882  641.205   21.678  657.094   20.466   69.082   1.1683   69.935   1.0896 -0.8528595 1.597542 
1 1 1   13   10   19 o   61.289   0.7685  504.579   12.651  509.408   18.423  500.269   17.404   61.574   1.1140   61.021   1.0619 0.5534897 1.538999 
1 1 1   13   10   20 o  161.125   1.3275  3489.13   57.452  3499.08   81.273  3479.19   81.226  161.294   1.8760  160.835   1.8803 0.4595947 2.656095 
1 1 1   13   10   21 o   32.859   0.7780  145.040   6.8660  131.855   9.3802  160.257   10.077   31.325   1.1149   34.535   1.0864 -3.209854 1.556673 
1 1 1   13   10   22 o   31.598   0.8312  134.130   7.0541  135.428   8.9599  132.014   11.441   31.747   1.0508   31.338   1.3592 0.4087467 1.718042 
1 1 1   13   10   23 o   57.055   0.8147  437.339   12.485  441.226   19.538  434.657   16.231   57.293   1.2697   56.873   1.0625 0.4202728 1.655631 
1 1 1   13   10   24 o  114.520   1.1124  1762.61   34.216  1750.91   53.608  1770.66   44.447  114.075   1.7496  114.751   1.4421 -0.6763611 2.267348 
1 1 1   13   10   25 o   93.584   0.9296  1176.85   23.366  1188.96   34.470  1166.56   31.782   94.033   1.3648   93.151   1.2703 0.8822098 1.864482 
1 1 1   13   10   26 o   99.838   1.0773  1339.73   28.887  1371.20   50.378  1324.31   35.260  100.921   1.8585   99.241   1.3228 1.679764 2.281227 
1 1 1   13   10   27 o   20.923   1.1157   59.016   6.2476   48.067   9.3375   67.891   8.4064   18.801   1.8741   22.423   1.4028 -3.622662 2.340966 
1 1 1   13   10   28 o   46.435   0.7789  289.709   9.7149  305.525   14.474  276.743   13.106   47.672   1.1304   45.373   1.0754 2.298748 1.560210 
1 1 1   13   10   29 o   71.019   0.8396  677.768   16.016  653.951   25.920  692.477   20.369   69.723   1.3841   71.772   1.0566 -2.049675 1.741322 
1 1 1   13   10   30 o   40.683   0.9044  222.453   9.8830  233.959   14.269  211.844   13.702   41.706   1.2738   39.686   1.2854 2.020573 1.809665 
1 1 1   13   10   31 o   99.148   1.0290  1321.65   27.401  1300.31   37.979  1344.82   39.574   98.292   1.4386   99.955   1.4740 -1.662674 2.059677 
1 1 1   13   10   32 o  106.194   1.0215  1516.34   29.135  1531.00   39.367  1498.59   43.323  106.653   1.3743  105.491   1.5290 1.162560 2.055842 
1 1 1   13   10   33 o   34.749   0.8983  162.334   8.3842  158.117   11.619  166.915   12.110   34.277   1.2620   35.216   1.2803 -0.9396324 1.797765 
1 1 1   13   10   34 o   38.936   0.9224  203.848   9.6467  200.419   12.036  210.008   16.132   38.593   1.1611   39.477   1.5214 -0.8841858 1.913872 
1 1 1   13   10   35 o   14.371   1.4051   28.088   5.3541   34.911   6.8937   17.715   8.4997   16.007   1.6260   11.197   2.8261 4.810118 3.260434 
1 1 1   13   10   36 o   17.589   1.1852   41.840   5.5665   41.358   7.2611   42.528   8.6693   17.441   1.5667   17.645   1.8571 -0.2040100 2.429695 
1 1 1   13   10   37 o   83.884   0.8273  946.225   18.640  919.559   24.776  981.002   28.295   82.649   1.1161   85.343   1.2344 -2.693840 1.664153 
1 1 1   13   10   38 o   68.125   0.8237  624.130   15.072  621.497   18.921  628.704   24.934   67.954   1.0366   68.293   1.3593 -0.3394012 1.709493 
1 1 1   13   10   39 o   31.224   0.8367  131.128   7.0166  129.835   8.7313  133.486   11.790   31.057   1.0467   31.462   1.3952 -0.4050426 1.744172 
1 1 1   13   10   40 o   19.345   1.2319   50.632   6.3677   56.548   8.8442   44.265   9.1754   20.395   1.6281   17.978   1.9303 2.416307 2.525271 
1 1 1   13   10   41 o   3.3106   1.6323 -11.2729   5.1953 -13.8361   6.7221  -7.4707   8.1871   3.8271   1.8810   5.1787   2.4124 -1.351571 3.059108 
1 1 1   13   10   42 o   9.4082   2.3654   12.529   5.9708   8.8487   7.3032   19.948   10.369   8.2795   2.7812   11.828   3.1905 -3.548759 4.232540 
1 1 1   13   10   43 o   32.524   0.9586  142.437   8.3742  139.380   10.591  147.535   13.677   32.146   1.2267   33.031   1.5417 -0.8853683 1.970176 
1 1 1   13   10   44 f   6.6016   2.5139   4.2344   6.1765   9.5413   7.7091  -5.2791   10.322   8.5451   2.8575   6.3011   2.8498 2.244023 4.035688 
1 1 1   13   10   45 o   13.334   1.8121   24.565   6.3215   17.642   8.0643   35.598   10.181   11.109   2.7236   15.947   2.4558 -4.837935 3.667266 
1 1 1   13   10   46 f   23.265   1.2665   73.307   7.8844   78.273   11.484   68.880   10.844   23.943   1.7989   22.449   1.8140 1.493973 2.554704 
1 1 1   13   10   47 o   7.3573   2.6407   6.3752   6.6372  -2.0221   9.3324   14.970   9.4414   6.4082   2.8147   10.329   3.1314 -3.920659 4.210525 
1 1 1   13   10   48 o   29.038   1.0402  113.678   8.1133  120.522   10.848  104.990   12.223   29.860   1.3526   27.779   1.6455 2.080915 2.130065 
1 1 1   13   10   49 o   28.823   1.0482  112.028   8.1147  107.622   11.018  117.251   11.997   28.159   1.4618   29.381   1.5254 -1.222427 2.112754 
1 1 1   13   10   50 o   58.849   0.8503  466.477   13.439  460.833   18.791  472.387   19.229   58.407   1.1978   59.131   1.2107 -0.7238808 1.703128 
1 1 1   13   10   51 o   25.822   1.5853   90.910   10.942   85.560   19.162   93.498   13.328   24.593   2.9603   26.099   1.9147 -1.505928 3.525573 
1 1 1   13   10   52 o   26.528   1.3906   95.744   9.8739   96.310   15.039   95.315   13.091   26.375   2.1414   26.334   1.8628 0.4170990E-01 2.838224 
1 1 1   13   10   53 o   18.858   2.4813   50.355   12.263   41.693   19.632   55.897   15.703   16.357   4.3809   19.629   3.0798 -3.272177 5.355167 
1 1 1   13   10   54 o   9.3449   3.6894   8.8845   13.673  -2.1778   17.166   28.080   22.612   8.5234   3.7773   13.639   4.8763 -5.115172 6.168183 
1 1 1   13   10   55 f   24.350   2.1353   83.264   13.824   95.819   19.877   71.500   19.240   25.658   2.9372   21.851   3.3879 3.806435 4.483860 
1 1 1   13   10   56 o   12.434   3.5524   24.068   12.455   34.898   18.446   14.993   16.885   14.560   4.3686   10.714   4.1373 3.845735 6.016807 
1 1 1   13   11  -55 f   6.8556   3.2715 -17.6809   16.801   0.0000   0.0000 -17.6809   16.801  ?   ?    6.8556   3.2715 0.000000 3.271516 
1 1 1   13   11  -54 o   12.933   3.8418   25.947   14.319   25.237   17.635   27.320   24.528   12.792   4.3218   13.441   5.0338 -0.6484814 6.634530 
1 1 1   13   11  -53 o   8.7866   3.5273   6.8722   12.704  -1.8116   18.310   14.932   17.640   8.8316   3.9081   11.029   4.2369 -2.197771 5.764103 
1 1 1   13   11  -52 o   19.652   2.6065   54.878   13.418   56.795   19.048   52.989   18.906   19.450   3.7823   18.719   3.8875 0.7314758 5.423842 
1 1 1   13   11  -51 o   33.236   1.3590  149.818   12.132  168.817   20.351  139.346   15.110   34.951   2.1788   31.898   1.7705 3.052286 2.807469 
1 1 1   13   11  -50 o   34.800   1.0908  163.535   10.196  176.518   13.114  143.686   16.214   36.102   1.3524   32.397   1.8713 3.705456 2.308846 
1 1 1   13   11  -49 o   9.3128   2.4284   12.368   6.1372   19.876   8.1470   2.5173   9.3318   11.775   2.6410   7.2042   2.9738 4.571245 3.977234 
1 1 1   13   11  -48 o   49.872   0.8835  335.018   11.835  342.168   17.553  329.059   16.024   50.314   1.2989   49.362   1.2086 0.9520035 1.774238 
1 1 1   13   11  -47 o   17.712   1.3648   42.664   6.4426   36.708   8.3553   51.398   10.118   16.309   1.9458   19.329   1.9768 -3.019302 2.773759 
1 1 1   13   11  -46 o   12.483   1.8156   21.602   5.9089   18.854   7.7595   25.396   9.1164   11.493   2.5773   13.366   2.6331 -1.872800 3.684479 
1 1 1   13   11  -45 o   12.832   1.9150   22.872   6.3981   30.321   9.0529   15.439   9.0437   14.705   2.3729   10.439   3.0404 4.265762 3.856782 
1 1 1   13   11  -44 o   26.000   1.0681   91.141   7.4591   93.857   10.654   88.529   10.447   26.290   1.5151   25.528   1.5307 0.7625217 2.153756 
1 1 1   13   11  -43 o   24.259   0.9991   79.290   6.5103   80.490   8.5699   77.654   10.011   24.379   1.3136   23.901   1.5681 0.4773941 2.045650 
1 1 1   13   11  -42 o   41.055   0.8311  226.827   9.1645  223.381   11.884  231.883   14.394   40.713   1.0868   41.450   1.2929 -0.7372971 1.689045 
1 1 1   13   11  -41 o   28.664   0.9303  110.604   7.1623  117.128   9.0682   99.786   11.678   29.480   1.1453   27.116   1.6106 2.363663 1.976274 
1 1 1   13   11  -40 o   64.871   0.8007  566.060   13.951  566.216   19.318  565.890   20.170   64.832   1.1094   64.804   1.1588 0.2779388E-01 1.604233 
1 1 1   13   11  -39 o   30.313   0.8443  123.606   6.8744  116.107   9.0577  133.793   10.558   29.358   1.1487   31.506   1.2476 -2.147907 1.695870 
1 1 1   13   11  -38 o   53.845   0.8290  389.946   11.989  387.569   16.953  392.323   16.958   53.639   1.1767   53.968   1.1699 -0.3289528 1.659312 
1 1 1   13   11  -37 o   67.859   1.0210  619.760   18.609  615.103   35.237  621.562   21.914   67.410   1.9462   67.929   1.2011 -0.5189285 2.286965 
1 1 1   13   11  -36 o   28.541   1.0041  109.613   7.6969  116.617   11.749  104.347   10.187   29.365   1.4946   27.823   1.3632 1.541805 2.022898 
1 1 1   13   11  -35 o   51.504   0.7973  356.659   11.030  354.487   16.180  358.544   15.075   51.311   1.1740   51.613   1.0874 -0.3021355 1.600271 
1 1 1   13   11  -34 o   25.827   0.8633   89.697   5.9885   91.882   7.7583   86.474   9.4196   26.129   1.1055   25.295   1.3918 0.8341141 1.777391 
1 1 1   13   11  -33 o   35.884   0.7983  173.101   7.6940  175.179   8.9461  167.198   15.080   36.093   0.9228   35.215   1.5943 0.8780632 1.842129 
1 1 1   13   11  -32 f   55.917   0.7410  420.222   11.128  431.002   14.229  403.241   17.858   56.616   0.9357   54.740   1.2146 1.876633 1.533257 
1 1 1   13   11  -31 o   37.497   0.7392  188.955   7.4447  199.625   9.2951  169.865   12.433   38.535   0.8981   35.527   1.3030 3.008064 1.582479 
1 1 1   13   11  -30 o   71.779   0.8768  692.517   16.905  678.877   23.512  707.116   24.323   71.039   1.2322   72.499   1.2491 -1.460739 1.754620 
1 1 1   13   11  -29 o   18.285   1.0402   45.098   5.0874   45.481   6.4522   44.468   8.2714   18.339   1.3187   18.088   1.7234 0.2512379 2.170022 
1 1 1   13   11  -28 o   35.977   0.8199  173.939   7.9231  181.076   10.858  165.813   11.587   36.699   1.1016   35.113   1.2286 1.585548 1.650128 
1 1 1   13   11  -27 o  122.296   1.1715  2010.99   38.480  2034.48   49.896  1976.51   60.448  122.960   1.5108  121.134   1.8579 1.826073 2.394649 
1 1 1   13   11  -26 o   24.907   0.9151   83.366   6.1216   83.042   7.6238   83.956   10.271   24.853   1.1421   24.932   1.5413 -0.7810974E-01 1.918338 
1 1 1   13   11  -25 o  117.376   1.1336  1852.02   35.737  1825.91   55.744  1870.24   46.565  116.461   1.7821  117.912   1.4703 -1.451019 2.310323 
1 1 1   13   11  -24 o   84.283   0.8404  954.471   19.024  952.785   26.783  956.188   27.026   84.187   1.1844   84.337   1.1931 -0.1495514 1.681186 
1 1 1   13   11  -23 o   46.780   0.7090  293.986   8.9080  279.951   12.177  310.141   13.065   45.642   0.9933   48.039   1.0126 -2.397438 1.418453 
1 1 1   13   11  -22 f  106.879   0.9674  1534.96   27.771  1520.66   38.997  1549.67   39.558  106.349   1.3652  107.358   1.3719 -1.009064 1.935416 
1 1 1   13   11  -21 o  100.709   0.9300  1362.76   25.155  1360.25   35.493  1365.28   35.657  100.592   1.3137  100.777   1.3173 -0.1856537 1.860415 
1 1 1   13   11  -20 o   26.239   0.9975   92.512   7.0303   90.493   8.6963   96.320   11.944   25.948   1.2478   26.709   1.6734 -0.7613049 2.087409 
1 1 1   13   11  -19 o   20.145   1.0550   54.677   5.6883   57.341   7.5651   51.211   8.6285   20.608   1.3746   19.443   1.6684 1.164982 2.161731 
1 1 1   13   11  -18 o  100.420   1.0154  1354.88   27.388  1334.83   38.228  1376.02   39.257   99.652   1.4282  101.176   1.4446 -1.524750 2.031449 
1 1 1   13   11  -17 o   87.564   0.8931  1030.04   21.006  1025.24   28.218  1036.00   31.459   87.348   1.2028   87.799   1.3340 -0.4510117 1.796158 
1 1 1   13   11  -16 o  129.649   1.1097  2258.39   38.644  2190.00   53.645  2332.16   55.715  127.642   1.5648  131.718   1.5748 -4.076797 2.220029 
1 1 1   13   11  -15 o   46.614   0.7850  291.871   9.8278  308.040   13.750  274.982   14.052   47.884   1.0691   45.240   1.1565 2.643814 1.574929 
1 1 1   13   11  -14 o   35.529   0.7741  169.555   7.3875  164.446   9.7743  176.362   11.282   34.987   1.0401   36.231   1.1594 -1.243889 1.557562 
1 1 1   13   11  -13 o  129.524   1.1586  2253.92   40.306  2337.77   60.889  2188.51   53.774  131.879   1.7190  127.609   1.5689 4.269798 2.327293 
1 1 1   13   11  -12 o  244.717   2.0161  8051.83  132.517  8055.66  179.428  8047.22  196.557  244.657   2.7305  244.477   2.9934 0.1806335 4.051632 
1 1 1   13   11  -11 o   70.020   0.8475  658.558   15.939  685.944   26.137  642.346   20.111   71.450   1.3620   69.149   1.0828 2.301575 1.739944 
1 1 1   13   11  -10 o  147.946   1.4240  2941.01   56.584  2883.83   96.923  2970.58   69.694  146.424   2.4645  148.668   1.7454 -2.244064 3.019903 
1 1 1   13   11   -9 o   66.118   0.9216  587.215   16.367  618.565   34.657  578.216   18.569   67.837   1.9021   65.608   1.0537 2.229530 2.174461 
1 1 1   13   11   -8 o   85.273   0.8725  976.704   19.983  984.055   29.916  970.781   26.851   85.584   1.3014   85.008   1.1760 0.5760574 1.754063 
1 1 1   13   11   -7 o   59.835   0.7626  480.870   12.256  487.543   18.573  475.723   16.311   60.243   1.1478   59.511   1.0205 0.7328949 1.535864 
1 1 1   13   11   -6 o  201.895   1.6153  5477.33   87.591  5464.88  123.751  5489.82  123.995  201.607   2.2853  202.066   2.2846 -0.4595947 3.231469 
1 1 1   13   11   -5 o   51.869   0.7379  361.345   10.280  383.813   14.373  337.816   14.709   53.454   1.0011   50.148   1.0920 3.306293 1.481476 
1 1 1   13   11   -4 o  144.933   1.2105  2821.84   47.122  2846.29   67.012  2797.91   66.275  145.537   1.7143  144.295   1.7101 1.241989 2.421393 
1 1 1   13   11   -3 o   69.594   0.8759  650.550   16.373  660.700   20.357  631.950   27.556   70.132   1.0807   68.582   1.4960 1.550606 1.845473 
1 1 1   13   11   -2 o   80.232   0.8404  864.618   18.111  863.297   24.652  866.167   26.696   80.166   1.1449   80.297   1.2378 -0.1312485 1.686112 
1 1 1   13   11   -1 o  180.620   1.4611  4383.15   70.882  4373.35  100.137  4392.99  100.348  180.378   2.0669  180.783   2.0666 -0.4044952 2.922827 
1 1 1   13   11    0 o   85.797   0.8367  988.715   19.281  988.293   27.385  989.129   27.151   85.773   1.1887   85.809   1.1780 -0.3646851E-01 1.673545 
1 1 1   13   11    1 o   96.074   0.9336  1239.81   24.090  1208.78   35.506  1266.28   32.793   94.854   1.3936   97.087   1.2576 -2.233299 1.877160 
1 1 1   13   11    2 o  209.973   1.6736  5924.37   94.388  6045.64  135.160  5808.94  131.870  212.048   2.3731  207.857   2.3621 4.191391 3.348294 
1 1 1   13   11    3 o   79.577   0.9304  850.584   19.886  848.766   26.959  852.753   29.452   79.486   1.2628   79.670   1.3764 -0.1839523 1.867881 
1 1 1   13   11    4 o  219.585   1.9105  6480.45  112.677  6476.91  145.552  6485.73  178.002  219.467   2.4692  219.546   3.0186 -0.7855225E-01 3.899866 
1 1 1   13   11    5 o  146.534   1.3374  2884.77   52.637  2896.58   68.194  2867.35   82.794  146.815   1.7293  146.049   2.1106 0.7661285 2.728610 
1 1 1   13   11    6 o   50.431   0.7394  341.593   10.015  340.356   13.721  343.004   14.651   50.337   1.0149   50.531   1.0794 -0.1946106 1.481619 
1 1 1   13   11    7 o   26.584   0.8272   94.922   5.9063  101.171   8.4666   88.999   8.2433   27.443   1.1486   25.739   1.1924 1.704029 1.655656 
1 1 1   13   11    8 o  145.418   1.2146  2840.87   47.439  2774.58   66.230  2910.71   67.983  143.686   1.7161  147.169   1.7198 -3.482422 2.429594 
1 1 1   13   11    9 o   77.617   0.7991  809.184   16.659  816.082   23.741  802.492   23.383   77.941   1.1341   77.290   1.1264 0.6515350 1.598379 
1 1 1   13   11   10 o   97.701   0.9909  1282.24   26.004  1340.55   41.956  1245.86   33.136   99.879   1.5640   96.297   1.2811 3.582001 2.021688 
1 1 1   13   11   11 o   23.031   1.0039   71.255   6.2102   77.754   9.4520   66.318   8.2376   24.010   1.4728   22.173   1.3903 1.836910 2.025337 
1 1 1   13   11   12 o   82.208   0.8632  907.779   19.059  880.089   28.020  931.622   26.000   80.934   1.2890   83.273   1.1625 -2.339500 1.735734 
1 1 1   13   11   13 o   81.813   0.8621  899.087   18.943  922.596   28.457  880.380   25.385   82.864   1.2786   80.950   1.1675 1.914703 1.731430 
1 1 1   13   11   14 o  124.681   1.1266  2088.54   37.728  2059.26   55.581  2113.57   51.379  123.774   1.6719  125.405   1.5254 -1.631210 2.263174 
1 1 1   13   11   15 o   86.112   0.8806  996.110   20.368  988.207   27.567  1005.61   30.225   85.760   1.1968   86.508   1.3008 -0.7479935 1.767626 
1 1 1   13   11   16 o   68.635   0.8359  632.792   15.410  632.971   23.952  632.666   20.129   68.632   1.2993   68.621   1.0921 0.1020813E-01 1.697357 
1 1 1   13   11   17 o   21.080   0.9938   59.700   5.6267   61.356   7.1482   57.002   9.1230   21.331   1.2532   20.523   1.6695 0.8080730 2.087494 
1 1 1   13   11   18 o   38.850   0.8114  202.759   8.4666  215.431   13.079  193.619   11.108   40.039   1.2162   37.960   1.0895 2.078518 1.632829 
1 1 1   13   11   19 o   57.627   0.7702  446.104   11.921  465.246   17.909  430.878   15.973   58.840   1.1332   56.628   1.0502 2.212433 1.545000 
1 1 1   13   11   20 o   25.166   1.0647   85.103   7.1969   86.506   10.093   83.653   10.265   25.321   1.4907   24.895   1.5428 0.4267082 2.145265 
1 1 1   13   11   21 o   53.754   0.9353  388.246   13.503  423.829   20.924  362.848   17.677   56.147   1.3875   51.955   1.2668 4.191204 1.878774 
1 1 1   13   11   22 f   60.141   0.8558  485.959   13.824  493.069   20.491  480.020   18.727   60.563   1.2597   59.760   1.1667 0.8025360 1.716989 
1 1 1   13   11   23 o  116.973   1.1338  1839.11   35.622  1804.55   49.880  1875.08   50.890  115.818   1.6035  118.059   1.6049 -2.241287 2.268636 
1 1 1   13   11   24 o   46.870   0.8094  295.158   10.190  298.627   15.963  292.771   13.238   47.129   1.2610   46.672   1.0560 0.4563408 1.644824 
1 1 1   13   11   25 o  150.547   1.3775  3048.17   55.700  3022.44   87.297  3065.83   72.337  149.749   2.1704  150.908   1.7847 -1.159210 2.809942 
1 1 1   13   11   26 o   49.621   0.7315  330.813   9.7496  325.285   13.514  336.814   14.079   49.194   1.0228   50.058   1.0472 -0.8631287 1.463768 
1 1 1   13   11   27 o   54.947   0.7407  405.655   10.932  407.758   15.204  403.405   15.730   55.077   1.0277   54.780   1.0691 0.2968597 1.482960 
1 1 1   13   11   28 o  120.242   1.1054  1943.88   35.699  1891.86   47.506  2011.36   54.108  118.566   1.4917  122.225   1.6482 -3.659134 2.223020 
1 1 1   13   11   29 o   38.993   0.8195  204.333   8.5832  208.087   10.785  197.845   14.176   39.342   1.0206   38.345   1.3764 0.9971695 1.713532 
1 1 1   13   11   30 o   33.339   0.8194  149.379   7.3374  157.398   9.4692  137.328   11.608   34.215   1.0304   31.945   1.3529 2.269581 1.700582 
1 1 1   13   11   31 o   67.985   0.8852  621.315   16.164  611.166   24.898  628.708   21.251   67.381   1.3757   68.364   1.1573 -0.9837265 1.797771 
1 1 1   13   11   32 f   68.660   0.8927  633.796   16.463  606.549   24.828  655.175   21.993   67.116   1.3773   69.780   1.1734 -2.663811 1.809384 
1 1 1   13   11   33 o   12.871   1.8592   22.822   6.2410   22.665   8.3791   23.018   9.3532   12.707   2.5439   12.770   2.8037 -0.6380081E-01 3.785744 
1 1 1   13   11   34 o   55.589   0.8146  415.461   12.162  409.405   17.650  420.936   16.783   55.146   1.1916   55.926   1.1173 -0.7794113 1.633473 
1 1 1   13   11   35 o   9.4941   2.0201   12.656   4.9931   14.655   6.2908   9.2507   8.2086   10.194   2.3462   8.5959   2.9482 1.598132 3.767869 
1 1 1   13   11   36 o   28.409   0.8354  108.540   6.3745  107.719   7.8277  110.157   10.984   28.292   1.0301   28.546   1.4372 -0.2541504 1.768210 
1 1 1   13   11   37 o   30.390   0.8330  124.213   6.7996  120.806   8.2867  131.234   11.896   29.959   1.0298   31.194   1.4198 -1.235147 1.753966 
1 1 1   13   11   38 o   57.409   0.8075  443.255   12.451  440.590   16.429  446.852   19.086   57.206   1.0692   57.587   1.2340 -0.3810005 1.632758 
1 1 1   13   11   39 o   16.517   1.2120   36.959   5.3391   41.915   6.7634   28.762   8.6974   17.565   1.4465   14.366   2.3342 3.199265 2.746075 
1 1 1   13   11   40 o   9.4258   2.1477   12.544   5.3160   13.963   6.8363   10.373   8.4550   9.9292   2.5501   8.9364   2.9926 0.9928169 3.931700 
1 1 1   13   11   41 o   20.604   1.1360   57.387   6.2626   58.218   8.2828   56.277   9.5691   20.704   1.4996   20.309   1.7720 0.3955784 2.321399 
1 1 1   13   11   42 o   17.958   1.3470   43.782   6.4497   43.894   8.0654   43.584   10.742   17.924   1.6954   17.732   2.3102 0.1918087 2.865568 
1 1 1   13   11   43 o   44.066   0.8531  261.391   10.097  258.965   13.194  264.820   15.685   43.824   1.1209   44.282   1.3187 -0.4583206 1.730773 
1 1 1   13   11   44 o   11.543   1.9589   18.613   5.8563   20.351   7.6114   16.091   9.1684   11.980   2.4482   10.643   3.0502 1.336082 3.911185 
1 1 1   13   11   45 o   24.041   1.2092   78.214   7.7833   95.139   9.7024   47.659   13.036   26.494   1.3681   18.417   2.7170 8.076836 3.042053 
1 1 1   13   11   46 o   8.7208   2.5721   10.639   6.4362   14.487   7.9896   3.5246   10.863   10.095   2.8318   7.8808   3.2256 2.213943 4.292216 
1 1 1   13   11   47 o   29.253   1.0013  115.347   7.8675  123.488   10.652  105.576   11.670   30.228   1.3120   27.870   1.5653 2.357954 2.042441 
1 1 1   13   11   48 o   42.476   0.8684  242.993   9.9075  239.564   13.574  246.902   14.494   42.120   1.1998   42.748   1.2624 -0.6276665 1.741614 
1 1 1   13   11   49 o   14.962   1.8351   30.917   7.2200   33.303   10.383   28.684   10.046   15.335   2.6146   14.175   2.7379 1.160840 3.785840 
1 1 1   13   11   50 o   24.880   1.4346   84.195   9.5461   77.367   14.439   89.497   12.724   23.609   2.3065   25.545   1.8674 -1.935844 2.967669 
1 1 1   13   11   51 o   15.211   2.2893   32.588   9.0632   31.396   13.035   33.703   12.610   14.580   3.3924   15.179   3.1942 -0.5993214 4.659496 
1 1 1   13   11   52 o   17.031   2.7219   41.618   12.031   33.500   21.668   45.237   14.466   14.720   4.7850   17.580   3.1808 -2.860184 5.745745 
1 1 1   13   11   53 o   22.010   2.9194   70.052   16.833   63.160   36.316   71.938   18.997   18.818   6.1985   22.099   3.3018 -3.281044 7.023034 
1 1 1   13   11   54 o   28.554   1.8906  113.236   14.417  121.624   20.975  105.723   19.850   29.101   2.7149   27.084   2.7676 2.016876 3.876845 
1 1 1   13   11   55 f   15.556   3.1147   36.511   12.560   29.151   18.268   43.109   17.296   13.417   4.3952   16.428   3.9650 -3.010699 5.919370 
1 1 1   13   12  -55 o   6.2681   3.0115 -17.5388   14.770   0.0000   0.0000 -17.5388   14.770  ?   ?    6.2681   3.0115 0.000000 3.011487 
1 1 1   13   12  -54 o   16.491   5.2182   47.980   25.897   0.0000   0.0000   47.980   25.897  ?   ?    16.491   5.2182 0.000000 5.218159 
1 1 1   13   12  -53 o   22.570   2.6298   73.189   15.643   69.436   19.779   79.460   25.564   21.421   3.5628   22.305   4.4234 -0.8838139 5.679728 
1 1 1   13   12  -52 o   32.717   1.8160  147.636   15.895  138.280   23.466  155.569   21.607   31.076   2.8429   33.243   2.4369 -2.167105 3.744387 
1 1 1   13   12  -51 o   29.475   1.8836  119.727   14.834  144.428   21.677   97.971   20.343   32.062   2.5379   26.167   2.9457 5.895323 3.888250 
1 1 1   13   12  -50 o   27.576   1.5533  103.762   11.458  133.701   18.883   86.316   14.415   31.044   2.2806   24.949   2.1728 6.094484 3.149932 
1 1 1   13   12  -49 o   10.018   2.5432   14.410   6.8550   22.439   8.7651   1.7646   11.000   12.491   2.6919   7.5622   3.1827 4.929203 4.168433 
1 1 1   13   12  -48 o   36.681   0.8889  181.301   8.7580  182.442   11.776  179.889   13.101   36.748   1.1931   36.462   1.3378 0.2860489 1.792520 
1 1 1   13   12  -47 o   13.322   1.8980   24.634   6.5995   21.582   8.7163   28.735   10.103   12.272   2.7161   14.195   2.7492 -1.922355 3.864621 
1 1 1   13   12  -46 o   26.717   1.0955   96.295   7.8612   97.610   11.078   94.962   11.157   26.796   1.5458   26.421   1.5795 0.3742371 2.210017 
1 1 1   13   12  -45 o   29.315   1.0286  115.868   8.0990  125.489   11.777  107.234   11.156   30.450   1.4399   28.104   1.4831 2.346527 2.067141 
1 1 1   13   12  -44 o   43.938   0.9235  260.077   10.898  279.645   16.292  244.229   14.661   45.484   1.3336   42.517   1.2839 2.967628 1.851128 
1 1 1   13   12  -43 o   33.334   0.8657  149.618   7.7504  157.510   10.436  139.910   11.574   34.169   1.1371   32.175   1.3393 1.993961 1.756871 
1 1 1   13   12  -42 o   12.096   1.7288   20.233   5.4570   13.691   6.7078   33.037   9.3837   9.8096   2.5295   15.378   2.3461 -5.568560 3.450070 
1 1 1   13   12  -41 o   44.007   0.8233  260.620   9.7317  261.353   12.750  259.597   15.062   44.036   1.0780   43.856   1.2787 0.1800003 1.672478 
1 1 1   13   12  -40 o   43.957   0.8277  259.996   9.7726  263.455   12.692  254.958   15.316   44.220   1.0686   43.466   1.3119 0.7544289 1.692048 
1 1 1   13   12  -39 o   36.922   0.8176  183.391   8.1077  189.507   10.833  175.605   12.225   37.508   1.0753   36.086   1.2613 1.422390 1.657433 
1 1 1   13   12  -38 o   44.005   0.7797  260.447   9.2161  264.716   12.444  255.260   13.715   44.339   1.0449   43.524   1.1732 0.8142319 1.571103 
1 1 1   13   12  -37 o   20.882   1.1222   58.898   6.2709   59.188   7.9252   58.411   10.255   20.898   1.4204   20.691   1.8654 0.2067280 2.344627 
1 1 1   13   12  -36 o   16.365   1.6310   36.526   7.0734   50.416   10.924   26.498   9.2818   19.161   2.1604   13.726   2.6132 5.434996 3.390589 
1 1 1   13   12  -35 o   46.693   0.9456  293.336   11.859  307.429   18.706  283.865   15.334   47.740   1.4588   45.902   1.2438 1.838490 1.917071 
1 1 1   13   12  -34 f   52.693   0.8458  373.406   11.971  381.955   16.775  364.536   17.087   53.259   1.1727   52.024   1.2228 1.234695 1.694273 
1 1 1   13   12  -33 o   30.346   0.8544  123.830   6.9636  121.399   8.8206  127.853   11.345   30.034   1.0934   30.802   1.3713 -0.7689323 1.753894 
1 1 1   13   12  -32 o   87.966   0.9461  1040.73   22.352  1051.09   26.803  1017.05   40.504   88.375   1.1292   86.807   1.7372 1.568169 2.071939 
1 1 1   13   12  -31 o   56.144   0.7551  423.686   11.387  450.085   15.990  396.531   16.218   57.846   1.0292   54.288   1.1122 3.557629 1.515359 
1 1 1   13   12  -30 o   68.805   0.8174  636.345   15.106  626.792   20.039  648.920   22.991   68.262   1.0930   69.442   1.2327 -1.179344 1.647445 
1 1 1   13   12  -29 f   80.983   0.9235  881.658   20.087  897.251   28.332  865.898   28.483   81.656   1.2918   80.213   1.3220 1.443184 1.848392 
1 1 1   13   12  -28 f   40.003   0.7802  215.047   8.3824  203.431   10.770  232.895   13.350   38.898   1.0309   41.611   1.1945 -2.713341 1.577806 
1 1 1   13   12  -27 o   36.192   0.8460  176.039   8.2242  170.598   10.935  183.126   12.479   35.618   1.1431   36.897   1.2592 -1.279457 1.700606 
1 1 1   13   12  -26 o   45.783   0.8852  281.701   10.885  265.539   13.383  313.283   18.708   44.440   1.1212   48.252   1.4435 -3.811455 1.827817 
1 1 1   13   12  -25 o   66.031   0.8827  585.938   15.655  577.654   18.930  603.865   27.848   65.551   1.0752   66.986   1.5478 -1.434349 1.884587 
1 1 1   13   12  -24 f  157.634   1.6025  3344.14   67.850  3415.80   96.873  3275.13   95.061  159.146   2.2663  155.833   2.2712 3.313034 3.208467 
1 1 1   13   12  -23 o   45.168   0.7590  274.112   9.2084  269.447   12.095  280.544   14.203   44.775   1.0057   45.682   1.1576 -0.9068108 1.533432 
1 1 1   13   12  -22 o   63.518   0.7472  542.052   12.747  531.430   17.754  553.354   18.313   62.880   1.0512   64.164   1.0626 -1.283424 1.494727 
1 1 1   13   12  -21 o   78.716   0.8093  832.497   17.111  855.338   24.369  810.285   24.031   79.771   1.1374   77.640   1.1524 2.130196 1.619136 
1 1 1   13   12  -20 o   37.792   0.7646  191.878   7.7608  191.172   10.132  192.879   12.072   37.717   1.0001   37.880   1.1865 -0.1630592 1.551821 
1 1 1   13   12  -19 o   63.542   0.8072  542.438   13.776  537.777   17.761  549.474   21.824   63.260   1.0453   63.934   1.2709 -0.6742554 1.645561 
1 1 1   13   12  -18 o   24.761   0.8797   82.375   5.8507   82.731   8.0526   81.977   8.5150   24.810   1.2084   24.662   1.2900 0.1484089 1.767582 
1 1 1   13   12  -17 o  118.750   1.2001  1895.18   38.277  1948.21   58.078  1854.46   50.894  120.344   1.7968  117.432   1.6136 2.912148 2.414962 
1 1 1   13   12  -16 o   38.206   0.8666  196.106   8.8935  204.800   15.309  191.678   10.926   39.031   1.4603   37.769   1.0771 1.262344 1.814536 
1 1 1   13   12  -15 o  119.840   1.1455  1929.84   36.872  1933.83   52.405  1925.93   51.890  119.929   1.6269  119.685   1.6142 0.2440720 2.291797 
1 1 1   13   12  -14 o   54.488   0.7552  398.803   11.052  380.115   16.254  414.875   15.073   53.188   1.1377   55.570   1.0099 -2.381863 1.521305 
1 1 1   13   12  -13 o   53.051   0.8859  378.076   12.624  408.522   22.074  363.280   15.389   55.130   1.4907   51.998   1.1018 3.132133 1.853742 
1 1 1   13   12  -12 o  101.778   0.9331  1391.57   25.508  1413.02   36.356  1370.77   35.799  102.543   1.3200  100.999   1.3197 1.544579 1.866537 
1 1 1   13   12  -11 o  176.193   1.4963  4172.26   70.812  4184.92  105.253  4161.80   95.712  176.379   2.2217  175.916   2.0257 0.4629364 3.006580 
1 1 1   13   12  -10 o   46.884   0.8350  295.267   10.515  298.908   16.100  292.559   13.885   47.165   1.2709   46.665   1.1078 0.5006523 1.685959 
1 1 1   13   12   -9 o   24.729   0.9523   82.149   6.3251   88.157   10.455   78.681   7.9436   25.566   1.5296   24.168   1.2278 1.398033 1.961388 
1 1 1   13   12   -8 o  172.699   1.5399  4008.20   71.431  4018.53  113.097  4001.35   92.133  172.830   2.4364  172.511   1.9884 0.3190155 3.144779 
1 1 1   13   12   -7 o   65.135   0.7766  569.866   13.587  547.484   19.947  589.237   18.557   63.837   1.1634   66.229   1.0432 -2.392033 1.562615 
1 1 1   13   12   -6 o   54.030   0.7206  392.099   10.457  393.379   15.068  390.910   14.523   54.114   1.0367   53.944   1.0024 0.1695709 1.442045 
1 1 1   13   12   -5 o  159.207   1.3109  3405.58   56.058  3468.99   80.176  3344.93   78.410  160.645   1.8582  157.747   1.8506 2.898148 2.622525 
1 1 1   13   12   -4 o  133.478   1.1341  2393.49   40.659  2392.71   57.563  2394.26   57.438  133.433   1.6062  133.477   1.6021 -0.4359436E-01 2.268607 
1 1 1   13   12   -3 o   60.908   0.7349  498.273   12.023  511.511   17.285  485.865   16.735   61.707   1.0429   60.140   1.0360 1.566727 1.470030 
1 1 1   13   12   -2 o  178.386   1.5838  4276.27   75.885  4320.07   98.647  4212.78  118.769  179.258   2.0489  176.971   2.4987 2.287003 3.231291 
1 1 1   13   12   -1 f   47.719   0.7376  305.846   9.4539  297.628   12.937  315.264   13.849   47.070   1.0233   48.444   1.0643 -1.374001 1.476464 
1 1 1   13   12    0 o  119.966   1.0438  1933.32   33.633  1948.27   47.806  1918.66   47.327  120.412   1.4781  119.494   1.4746 0.9181366 2.087894 
1 1 1   13   12    1 f  148.009   1.2329  2943.12   49.013  2929.98   69.192  2956.36   69.437  147.649   1.7448  148.312   1.7431 -0.6633453 2.466283 
1 1 1   13   12    2 o  117.193   1.1225  1845.06   35.334  1904.01   46.496  1764.50   54.358  119.037   1.4543  114.579   1.7663 4.458900 2.287960 
1 1 1   13   12    3 o  218.164   1.8997  6397.94  111.318  6411.04  143.958  6378.47  175.559  218.318   2.4550  217.677   3.0027 0.6405792 3.878601 
1 1 1   13   12    4 o  109.819   1.0717  1620.12   31.611  1584.16   40.517  1676.08   50.536  108.581   1.3893  111.674   1.6848 -3.092453 2.183744 
1 1 1   13   12    5 o   83.351   0.9080  933.214   20.327  975.578   29.430  894.568   28.109   85.212   1.2859   81.598   1.2825 3.614487 1.816145 
1 1 1   13   12    6 o  118.174   1.0333  1876.00   32.796  1872.65   46.398  1879.35   46.363  118.050   1.4633  118.261   1.4596 -0.2110672 2.066827 
1 1 1   13   12    7 o  204.534   1.6358  5622.47   89.863  5606.74  126.912  5638.28  127.261  204.169   2.3143  204.742   2.3142 -0.5736084 3.272829 
1 1 1   13   12    8 o   84.202   0.8331  952.359   18.840  953.045   26.758  951.686   26.532   84.224   1.1829   84.164   1.1737 0.5979919E-01 1.666334 
1 1 1   13   12    9 o  121.469   1.1544  1982.30   37.663  1964.90   59.219  1994.12   48.807  120.897   1.8237  121.813   1.4917 -0.9165497 2.356091 
1 1 1   13   12   10 o   65.960   0.8821  584.438   15.627  534.318   27.315  608.824   19.053   63.050   1.6130   67.319   1.0538 -4.268780 1.926686 
1 1 1   13   12   11 o   71.904   0.9521  694.543   18.387  708.217   26.375  681.614   25.646   72.597   1.3526   71.220   1.3407 1.376144 1.904481 
1 1 1   13   12   12 o  148.449   1.2928  2961.27   51.547  2914.98   75.796  3001.11   70.310  147.231   1.9167  149.406   1.7521 -2.175415 2.596845 
1 1 1   13   12   13 o  120.925   1.1016  1964.71   35.781  1953.76   53.003  1973.89   48.500  120.554   1.6369  121.184   1.4901 -0.6301651 2.213535 
1 1 1   13   12   14 o   28.030   0.9344  105.549   7.0346  105.906   10.933  105.297   9.1898   28.032   1.4571   27.993   1.2223 0.3932953E-01 1.901834 
1 1 1   13   12   15 o  123.614   1.0707  2053.12   35.549  2082.04   50.595  2024.92   49.960  124.450   1.5136  122.730   1.5156 1.719093 2.141977 
1 1 1   13   12   16 o  112.983   1.0497  1715.21   31.854  1731.93   47.488  1701.52   42.951  113.497   1.5578  112.507   1.4214 0.9899368 2.108782 
1 1 1   13   12   17 o  100.704   1.2104  1362.96   32.738  1455.64   63.717  1329.71   38.161  103.971   2.2816   99.453   1.4286 4.518066 2.691985 
1 1 1   13   12   18 o   50.318   0.9401  340.195   12.705  339.782   22.303  340.393   15.459   50.262   1.6521   50.327   1.1436 -0.6513977E-01 2.009290 
1 1 1   13   12   19 o   17.100   1.3394   39.553   6.1027   23.620   8.0419   61.186   9.3706   13.037   2.3844   21.263   1.6538 -8.225920 2.901771 
1 1 1   13   12   20 o  131.132   1.1771  2311.36   41.457  2339.52   61.868  2288.41   55.852  131.857   1.7469  130.430   1.5943 1.426697 2.365051 
1 1 1   13   12   21 o   77.349   0.8460  803.875   17.576  801.335   26.119  805.978   23.761   77.203   1.2596   77.434   1.1425 -0.2309418 1.700516 
1 1 1   13   12   22 o   47.970   0.7644  309.160   9.8491  311.497   14.645  307.231   13.308   48.138   1.1327   47.811   1.0363 0.3270874 1.535229 
1 1 1   13   12   23 o   64.295   0.8370  555.458   14.455  547.157   20.322  563.958   20.564   63.795   1.1860   64.767   1.1821 -0.9722481 1.674525 
1 1 1   13   12   24 f   95.782   1.1137  1233.32   28.651  1214.47   46.195  1245.10   36.525   94.967   1.8110   96.208   1.4135 -1.240883 2.297332 
1 1 1   13   12   25 o   34.558   0.9994  160.523   9.2768  139.149   12.402  187.677   13.978   32.160   1.4357   37.351   1.3933 -5.191113 2.000662 
1 1 1   13   12   26 o   18.609   1.2562   46.786   6.2419   52.334   8.0609   38.477   9.8644   19.659   1.5389   16.739   2.2512 2.920181 2.726902 
1 1 1   13   12   27 o   88.332   0.9556  1048.83   22.673  1032.01   31.716  1066.40   32.423   87.581   1.3483   89.028   1.3559 -1.446159 1.912181 
1 1 1   13   12   28 f   40.108   0.8044  216.189   8.6656  234.153   12.685  200.469   11.866   41.727   1.1318   38.608   1.1443 3.118362 1.609479 
1 1 1   13   12   29 f   63.071   0.9077  534.749   15.376  540.952   23.228  529.911   20.513   63.396   1.3642   62.760   1.2169 0.6358910 1.828081 
1 1 1   13   12   30 o   49.152   0.8343  324.751   11.015  315.688   14.978  335.425   16.255   48.441   1.1512   49.927   1.2121 -1.486530 1.671673 
1 1 1   13   12   31 o   52.051   0.7482  364.151   10.461  370.812   14.334  356.561   15.301   52.506   1.0164   51.480   1.1066 1.026176 1.502520 
1 1 1   13   12   32 o   75.258   0.9361  761.717   18.923  763.272   25.365  759.766   28.415   75.291   1.2543   75.092   1.4088 0.1987000 1.886289 
1 1 1   13   12   33 o   73.839   0.8261  733.115   16.384  747.294   24.855  722.219   21.789   74.492   1.2422   73.252   1.1074 1.239441 1.664220 
1 1 1   13   12   34 f   13.262   1.3556   23.949   4.7608   26.695   5.8610   18.624   8.1624   13.976   1.5897   11.469   2.6952 2.506051 3.129110 
1 1 1   13   12   35 o   42.059   0.7690  237.855   8.6874  236.735   11.010  239.703   14.141   41.944   0.9773   42.180   1.2482 -0.2357559 1.585261 
1 1 1   13   12   36 o   53.240   0.8584  381.278   12.275  378.966   16.960  383.821   17.788   53.039   1.1905   53.371   1.2409 -0.3315201 1.719614 
1 1 1   13   12   37 o   37.716   0.9145  191.397   9.2636  199.367   12.917  182.957   13.292   38.461   1.2504   36.834   1.3436 1.627048 1.835425 
1 1 1   13   12   38 o   38.561   0.8711  200.057   9.0222  200.392   13.006  199.746   12.526   38.555   1.2559   38.497   1.2114 0.5711365E-01 1.744974 
1 1 1   13   12   39 o   7.4516   2.5648   6.9283   6.2151   17.147   8.9489  -2.5931   8.6382   10.988   2.9640   6.0736   2.6862 4.914822 4.000076 
1 1 1   13   12   40 o   31.825   0.9072  136.336   7.7545  140.100   9.6736  129.570   12.971   32.242   1.1171   30.915   1.5672 1.326666 1.924535 
1 1 1   13   12   41 o   5.5092   2.3064   0.7766   5.7274   3.7413   6.7314  -6.9986   10.901   6.6519   2.6001   6.2901   2.8773 0.3618279 3.878044 
1 1 1   13   12   42 o   26.261   0.9964   92.923   7.0282   89.776   9.0975   97.581   11.069   25.747   1.3200   26.806   1.5439 -1.058590 2.031213 
1 1 1   13   12   43 o   21.600   1.1199   63.104   6.4750   57.747   8.3191   71.336   10.313   20.599   1.5143   22.872   1.6907 -2.272814 2.269706 
1 1 1   13   12   44 o   7.1791   2.4649   6.5043   5.7387   4.2748   7.2721   10.184   9.3431   6.9532   2.7067   8.9932   3.1419 -2.039959 4.147023 
1 1 1   13   12   45 o   49.297   0.8186  327.182   10.838  332.843   14.858  320.744   15.845   49.669   1.1138   48.737   1.2104 0.9315071 1.644869 
1 1 1   13   12   46 o   26.503   1.0218   94.701   7.2739   90.865   9.4028  100.418   11.479   25.887   1.3571   27.172   1.5796 -1.285305 2.082500 
1 1 1   13   12   47 o   16.827   1.4753   38.639   6.6008   36.072   8.4565   42.641   10.560   16.148   1.9920   17.497   2.3030 -1.349230 3.044976 
1 1 1   13   12   48 o   25.763   1.1117   89.601   7.6929   90.123   10.393   88.970   11.441   25.738   1.5100   25.534   1.6775 0.2039051 2.257023 
1 1 1   13   12   49 o   13.638   2.2425   26.187   7.9288   17.977   9.5472   44.435   14.234   11.147   3.0845   17.560   3.1328 -6.413262 4.396399 
1 1 1   13   12   50 o   12.245   2.7108   21.690   8.6801   19.614   9.7056   29.986   19.402   11.587   3.0697   14.146   4.5210 -2.559921 5.464613 
1 1 1   13   12   51 o   20.636   2.8086   60.945   15.163   46.994   19.355   83.110   24.397   17.461   4.1821   23.480   4.0125 -6.018904 5.795742 
1 1 1   13   12   52 o   20.371   3.0391   60.497   16.119   69.190   22.571   51.450   23.028   21.167   4.1184   17.835   4.7299 3.332458 6.271585 
1 1 1   13   12   53 o   14.638   3.7784   33.377   14.956   15.030   28.508   40.344   17.568   12.218   5.1321   15.954   4.0828 -3.735600 6.557977 
1 1 1   13   12   54 o   26.221   1.9754   96.307   13.810   91.344   20.007  100.824   19.086   24.838   3.0639   26.348   2.7369 -1.510263 4.108315 
1 1 1   13   12   55 o   5.6649   2.7867 -26.8834   14.858   0.0000   0.0000 -26.8834   14.858  ?   ?    5.6649   2.7867 0.000000 2.786689 
1 1 1   13   13    0 o  137.797   1.8003  2551.35   66.633  2527.34   85.745  2587.96  105.872  137.122   2.3281  138.727   2.8414 -1.604584 3.673360 
1 1 1   13   13    1 o   39.638   0.8721  211.055   9.2843  206.359   12.086  217.816   14.501   39.191   1.1482   40.261   1.3410 -1.070152 1.765386 
1 1 1   13   13    2 f   94.530   0.8889  1200.37   22.569  1235.20   32.456  1167.75   31.404   95.879   1.2603   93.225   1.2542 2.654488 1.778043 
1 1 1   13   13    3 o   41.598   0.7205  232.426   8.0506  236.583   11.750  228.747   11.052   41.965   1.0425   41.264   0.9972 0.7001762 1.442642 
1 1 1   13   13    4 o   41.838   0.7464  235.113   8.3869  245.340   11.697  224.294   12.032   42.734   1.0191   40.859   1.0963 1.875191 1.496837 
1 1 1   13   13    5 o  119.983   1.0456  1934.05   33.696  1906.17   47.382  1962.58   47.930  119.092   1.4813  120.842   1.4767 -1.749672 2.091618 
1 1 1   13   13    6 o   70.954   0.8057  676.265   15.355  668.839   20.849  685.067   22.700   70.556   1.1001   71.405   1.1836 -0.8483963 1.615932 
1 1 1   13   13    7 o   95.627   0.9808  1228.51   25.191  1254.12   40.235  1212.00   32.306   96.593   1.5508   94.971   1.2665 1.621826 2.002264 
1 1 1   13   13    8 o   98.317   0.9526  1298.59   25.155  1268.28   36.986  1324.67   34.313   97.142   1.4175   99.285   1.2867 -2.143013 1.914419 
1 1 1   13   13    9 o  124.108   1.0734  2069.48   35.781  2086.79   50.861  2052.52   50.346  124.597   1.5198  123.570   1.5169 1.027176 2.147284 
1 1 1   13   13   10 o  119.101   1.0404  1905.84   33.282  1894.51   46.943  1917.29   47.193  118.719   1.4722  119.431   1.4712 -0.7115326 2.081267 
1 1 1   13   13   11 o   52.363   0.7507  368.318   10.558  367.342   15.781  369.108   14.207   52.286   1.1237   52.414   1.0091 -0.1283073 1.510333 
1 1 1   13   13   12 f   99.997   1.0065  1343.52   27.034  1363.67   42.867  1330.21   34.835  100.709   1.5848   99.485   1.3037 1.224403 2.052077 
1 1 1   13   13   13 o  103.772   1.0918  1447.04   30.432  1559.84   54.597  1396.20   36.654  107.677   1.8878  101.918   1.3390 5.759399 2.314429 
1 1 1   13   13   14 o   87.362   0.9830  1025.49   23.067  996.206   39.107  1041.11   28.565   86.063   1.6918   88.014   1.2084 -1.950867 2.079002 
1 1 1   13   13   15 o   61.349   0.7650  505.617   12.605  519.940   18.535  493.294   17.192   62.201   1.1095   60.588   1.0565 1.612816 1.531999 
1 1 1   13   13   16 o   50.799   0.7432  346.677   10.140  340.479   14.623  352.417   14.073   50.334   1.0817   51.211   1.0231 -0.8766899 1.488887 
1 1 1   13   13   17 o  100.051   0.9717  1345.13   26.113  1339.46   38.644  1349.90   35.425   99.803   1.4416  100.202   1.3162 -0.3992691 1.952093 
1 1 1   13   13   18 o   33.471   0.9232  150.537   8.2996  147.653   11.541  153.625   11.944   33.139   1.2967   33.802   1.3156 -0.6629562 1.847164 
1 1 1   13   13   19 o   95.175   1.0414  1217.46   26.622  1240.57   46.217  1205.98   32.569   96.000   1.7924   94.707   1.2803 1.293495 2.202730 
1 1 1   13   13   20 o   32.270   0.8722  139.931   7.5593  135.074   10.387  145.400   11.022   31.696   1.2201   32.884   1.2479 -1.188288 1.745260 
1 1 1   13   13   21 o   84.231   0.8850  953.406   20.021  938.791   29.462  965.946   27.291   83.551   1.3129   84.760   1.1988 -1.209610 1.777825 
1 1 1   13   13   22 o   32.095   0.9136  138.437   7.8754  154.015   11.537  124.845   10.777   33.842   1.2693   30.467   1.3169 3.374380 1.829031 
1 1 1   13   13   23 o   39.506   0.9132  209.761   9.6901  219.797   13.711  199.746   13.696   40.427   1.2628   38.536   1.3232 1.890732 1.829087 
1 1 1   13   13   24 o   40.388   0.7737  219.184   8.3925  212.125   11.048  228.816   12.905   39.723   1.0355   41.251   1.1648 -1.527561 1.558489 
1 1 1   13   13   25 o   24.911   0.9300   83.414   6.2229   78.344   7.8748   91.845   10.155   24.104   1.2203   26.083   1.4553 -1.978971 1.899256 
1 1 1   13   13   26 o   66.044   0.7711  586.156   13.678  575.282   18.943  598.002   19.771   65.408   1.0783   66.685   1.1039 -1.276993 1.543084 
1 1 1   13   13   27 o   33.799   0.8901  153.559   8.0802  154.246   11.116  152.789   11.766   33.860   1.2223   33.696   1.3001 0.1643143 1.784410 
1 1 1   13   13   28 o   8.0536   2.1985   9.0464   4.8890   5.8078   5.8344   16.682   8.9585   7.0195   2.4804   10.906   2.9755 -3.886908 3.873800 
1 1 1   13   13   29 o   16.353   1.2979   36.229   5.6540   24.306   7.6684   50.431   8.3693   13.226   2.2385   19.272   1.6322 -6.046252 2.770358 
1 1 1   13   13   30 o   25.516   0.9823   87.574   6.7323   88.694   9.3444   86.366   9.7079   25.624   1.3626   25.277   1.4359 0.3476696 1.979485 
1 1 1   13   13   31 o   83.495   0.9857  937.843   22.106  936.833   29.764  939.086   33.014   83.391   1.3289   83.461   1.4727 -0.7035828E-01 1.983631 
1 1 1   13   13   32 o   55.602   0.8029  415.707   11.991  412.809   17.507  418.267   16.458   55.369   1.1772   55.743   1.0992 -0.3743706 1.610632 
1 1 1   13   13   33 o   33.164   0.8732  147.939   7.7777  150.394   10.999  145.484   10.999   33.413   1.2256   32.861   1.2462 0.5517273 1.747930 
1 1 1   13   13   34 o   61.914   1.0354  516.009   17.218  529.248   32.245  510.729   20.364   62.526   1.9201   61.567   1.2315 0.9590034 2.281031 
1 1 1   13   13   35 o   34.510   0.8202  160.179   7.6026  153.043   9.7834  171.059   12.079   33.713   1.0804   35.625   1.2624 -1.911831 1.661623 
1 1 1   13   13   36 o   50.178   0.7564  338.601   10.195  345.177   12.985  328.033   16.462   50.642   0.9546   49.331   1.2424 1.311043 1.566791 
1 1 1   13   13   37 o   33.298   0.8378  149.169   7.4925  157.146   9.9761  138.847   11.348   34.156   1.0874   32.083   1.3169 2.072674 1.707840 
1 1 1   13   13   38 o   11.103   1.8051   17.122   5.1984   22.208   6.3311   6.5972   9.1075   12.657   1.9229   8.0783   3.0583 4.578385 3.612583 
1 1 1   13   13   39 o   22.503   1.0803   68.240   6.5292   63.178   7.8731   79.391   11.684   21.588   1.3649   24.130   1.8161 -2.542448 2.271821 
1 1 1   13   13   40 f   56.947   0.8701  436.576   13.309  443.158   18.194  429.001   19.519   57.316   1.1819   56.369   1.2892 0.9468613 1.748969 
1 1 1   13   13   41 o   24.472   0.9967   80.706   6.5513   84.438   8.3520   74.738   10.562   25.008   1.2434   23.416   1.6908 1.592125 2.098768 
1 1 1   13   13   42 o   44.840   0.8115  270.675   9.7735  267.845   13.170  274.143   14.581   44.561   1.1004   45.062   1.2047 -0.5011520 1.631621 
1 1 1   13   13   43 o   50.921   0.8454  349.158   11.562  346.396   15.843  352.305   16.913   50.657   1.1644   51.072   1.2329 -0.4144402 1.695871 
1 1 1   13   13   44 o   13.923   1.8314   26.807   6.6827   36.827   9.2057   15.645   9.7165   16.279   2.1586   10.524   3.1736 5.755045 3.838116 
1 1 1   13   13   45 f   33.273   0.9922  149.253   8.8676  161.675   12.713  137.482   12.375   34.571   1.3692   31.866   1.4459 2.704691 1.991276 
1 1 1   13   13   46 o   30.538   1.1456  125.909   9.3963  128.216   15.030  124.428   12.039   30.638   1.8349   30.305   1.4791 0.3327827 2.356809 
1 1 1   13   13   47 o   20.254   1.3735   55.794   7.4278   48.401   10.298   63.812   10.724   18.699   2.0859   21.557   1.8707 -2.858276 2.801871 
1 1 1   13   13   48 o   14.173   1.9178   27.922   7.1129   34.130   9.0211   17.721   11.564   15.616   2.2128   11.150   3.4811 4.465428 4.124879 
1 1 1   13   13   49 o   11.200   3.0479   18.295   9.4138   7.0074   15.430   24.987   11.881   9.5026   3.8616   13.000   3.3735 -3.497899 5.127642 
1 1 1   13   13   50 o   35.554   1.6858  172.851   16.098  178.346   23.406  167.918   22.176   35.684   2.4571   34.655   2.3972 1.028984 3.432768 
1 1 1   13   13   51 o   9.0523   3.5243   8.7288   12.330 -10.9311   18.638   24.032   16.443   7.9859   3.6923   12.622   4.1715 -4.636364 5.570893 
1 1 1   13   13   52 f   24.484   2.3686   85.030   15.382   76.684   19.085  100.500   25.983   22.749   3.2129   25.557   3.9095 -2.807775 5.060314 
1 1 1   13   13   53 o   31.431   2.5360  141.773   21.227  159.700   30.439  124.800   29.617   32.410   3.5550   28.173   4.0287 4.236712 5.372933 
1 1 1   13   13   54 o   11.505   4.1805   20.264   16.700   0.0000   0.0000   20.264   16.700  ?   ?    11.505   4.1805 0.000000 4.180535 
1 1 1   14    0  -59 o   18.473   4.8556   60.475   20.815   60.475   20.815   60.475   20.815   18.473   4.8556   18.473   4.8556 0.000000 0.000000 
1 1 1   14    0  -58 o   7.6576   4.4828   11.979   15.436   11.979   15.436   11.979   15.436   7.6576   4.4828   7.6576   4.4828 0.000000 0.000000 
1 1 1   14    0  -57 o   81.381   1.2952  897.869   28.294  897.869   28.294  897.869   28.294   81.381   1.2952   81.381   1.2952 0.000000 0.000000 
1 1 1   14    0  -56 o   17.956   2.2431   46.138   10.362   46.138   10.362   46.138   10.362   17.956   2.2431   17.956   2.2431 0.000000 0.000000 
1 1 1   14    0  -55 o   20.273   1.9798   57.496   10.544   57.496   10.544   57.496   10.544   20.273   1.9798   20.273   1.9798 0.000000 0.000000 
1 1 1   14    0  -54 o   31.283   1.5532  133.375   12.977  133.375   12.977  133.375   12.977   31.283   1.5532   31.283   1.5532 0.000000 0.000000 
1 1 1   14    0  -53 o   48.725   1.3348  321.160   17.439  321.160   17.439  321.160   17.439   48.725   1.3348   48.725   1.3348 0.000000 0.000000 
1 1 1   14    0  -52 o   4.1113   2.8605  -9.7529   11.246  -9.7529   11.246  -9.7529   11.246   4.1113   2.8605   4.1113   2.8605 0.000000 0.000000 
1 1 1   14    0  -51 o   46.254   1.1890  288.941   14.749  288.941   14.749  288.941   14.749   46.254   1.1890   46.254   1.1890 0.000000 0.000000 
1 1 1   14    0  -50 o   30.216   1.3818  123.942   11.161  123.942   11.161  123.942   11.161   30.216   1.3818   30.216   1.3818 0.000000 0.000000 
1 1 1   14    0  -49 o   33.441   1.4622  151.751   13.077  151.751   13.077  151.751   13.077   33.441   1.4622   33.441   1.4622 0.000000 0.000000 
1 1 1   14    0  -48 o   74.922   1.3529  757.296   27.205  757.296   27.205  757.296   27.205   74.922   1.3529   74.922   1.3529 0.000000 0.000000 
1 1 1   14    0  -47 o   5.2336   3.1577   3.7267   8.1037   3.7267   8.1037   3.7267   8.1037   5.2336   3.1577   5.2336   3.1577 0.000000 0.000000 
1 1 1   14    0  -46 o   69.403   1.4179  649.710   26.405  649.710   26.405  649.710   26.405   69.403   1.4179   69.403   1.4179 0.000000 0.000000 
1 1 1   14    0  -45 o   15.528   2.1776   34.432   8.5697   34.432   8.5697   34.432   8.5697   15.528   2.1776   15.528   2.1776 0.000000 0.000000 
1 1 1   14    0  -44 o   23.945   1.4795   78.094   9.4319   78.094   9.4319   78.094   9.4319   23.945   1.4795   23.945   1.4795 0.000000 0.000000 
1 1 1   14    0  -43 o  115.284   1.5994  1791.34   49.503  1791.34   49.503  1791.34   49.503  115.284   1.5994  115.284   1.5994 0.000000 0.000000 
1 1 1   14    0  -42 o   43.641   1.2249  256.792   14.333  256.792   14.333  256.792   14.333   43.641   1.2249   43.641   1.2249 0.000000 0.000000 
1 1 1   14    0  -41 o   43.093   1.1634  250.250   13.443  250.250   13.443  250.250   13.443   43.093   1.1634   43.093   1.1634 0.000000 0.000000 
1 1 1   14    0  -40 o  110.131   1.5637  1633.09   46.234  1633.09   46.234  1633.09   46.234  110.131   1.5637  110.131   1.5637 0.000000 0.000000 
1 1 1   14    0  -39 o   17.826   1.8245   44.096   8.5259   44.096   8.5259   44.096   8.5259   17.826   1.8245   17.826   1.8245 0.000000 0.000000 
1 1 1   14    0  -38 o  173.942   2.2209  4077.22  103.723  4077.22  103.723  4077.22  103.723  173.942   2.2209  173.942   2.2209 0.000000 0.000000 
1 1 1   14    0  -37 f   45.205   1.0384  275.025   12.593  275.025   12.593  275.025   12.593   45.205   1.0384   45.205   1.0384 0.000000 0.000000 
1 1 1   14    0  -36 o   45.995   1.0475  284.699   12.926  284.699   12.926  284.699   12.926   45.995   1.0475   45.995   1.0475 0.000000 0.000000 
1 1 1   14    0  -35 o   16.190   1.8660   36.628   7.8338   36.628   7.8338   36.628   7.8338   16.190   1.8660   16.190   1.8660 0.000000 0.000000 
1 1 1   14    0  -34 o   49.917   1.1088  335.281   14.849  335.281   14.849  335.281   14.849   49.917   1.1088   49.917   1.1088 0.000000 0.000000 
1 1 1   14    0  -33 o   56.147   1.1649  424.101   17.551  424.101   17.551  424.101   17.551   56.147   1.1649   56.147   1.1649 0.000000 0.000000 
1 1 1   14    0  -32 o  104.021   1.3477  1454.66   37.638  1454.66   37.638  1454.66   37.638  104.021   1.3477  104.021   1.3477 0.000000 0.000000 
1 1 1   14    0  -31 o   26.024   1.1694   91.531   8.1359   91.531   8.1359   91.531   8.1359   26.024   1.1694   26.024   1.1694 0.000000 0.000000 
1 1 1   14    0  -30 o  133.836   1.9626  2409.10   70.515  2409.10   70.515  2409.10   70.515  133.836   1.9626  133.836   1.9626 0.000000 0.000000 
1 1 1   14    0  -29 f  168.089   1.9469  3798.63   87.871  3798.63   87.871  3798.63   87.871  168.089   1.9469  168.089   1.9469 0.000000 0.000000 
1 1 1   14    0  -28 f   52.572   1.0857  371.713   15.316  371.713   15.316  371.713   15.316   52.572   1.0857   52.572   1.0857 0.000000 0.000000 
1 1 1   14    0  -27 o   95.034   1.3679  1213.95   34.899  1213.95   34.899  1213.95   34.899   95.034   1.3679   95.034   1.3679 0.000000 0.000000 
1 1 1   14    0  -26 o   95.523   1.5436  1226.72   39.579  1226.72   39.579  1226.72   39.579   95.523   1.5436   95.523   1.5436 0.000000 0.000000 
1 1 1   14    0  -25 o  313.487   3.4613 13219.49  291.358 13219.49  291.358 13219.49  291.358  313.487   3.4613  313.487   3.4613 0.000000 0.000000 
1 1 1   14    0  -24 o  399.253   5.3635 21477.11  574.921 21477.11  574.921 21477.11  574.921  399.253   5.3635  399.253   5.3635 0.000000 0.000000 
1 1 1   14    0  -23 o   35.867   1.3700  173.544   13.154  173.544   13.154  173.544   13.154   35.867   1.3700   35.867   1.3700 0.000000 0.000000 
1 1 1   14    0  -22 o  141.377   2.3879  2687.71   90.615  2687.71   90.615  2687.71   90.615  141.377   2.3879  141.377   2.3879 0.000000 0.000000 
1 1 1   14    0  -21 o   62.394   1.3129  523.570   21.980  523.570   21.980  523.570   21.980   62.394   1.3129   62.394   1.3129 0.000000 0.000000 
1 1 1   14    0  -20 o  101.742   2.3037  1392.78   62.881  1392.78   62.881  1392.78   62.881  101.742   2.3037  101.742   2.3037 0.000000 0.000000 
1 1 1   14    0  -19 o  109.822   1.7076  1621.20   50.341  1621.20   50.341  1621.20   50.341  109.822   1.7076  109.822   1.7076 0.000000 0.000000 
1 1 1   14    0  -18 o  307.348   4.1548 12705.63  342.842 12705.63  342.842 12705.63  342.842  307.348   4.1548  307.348   4.1548 0.000000 0.000000 
1 1 1   14    0  -17 o   86.849   1.6907  1014.27   39.405  1014.27   39.405  1014.27   39.405   86.849   1.6907   86.849   1.6907 0.000000 0.000000 
1 1 1   14    0  -16 o  139.289   2.0338  2607.78   76.053  2607.78   76.053  2607.78   76.053  139.289   2.0338  139.289   2.0338 0.000000 0.000000 
1 1 1   14    0  -15 o  160.988   2.2933  3483.63   99.117  3483.63   99.117  3483.63   99.117  160.988   2.2933  160.988   2.2933 0.000000 0.000000 
1 1 1   14    0  -14 o  211.285   2.9188  6001.14  165.568  6001.14  165.568  6001.14  165.568  211.285   2.9188  211.285   2.9188 0.000000 0.000000 
1 1 1   14    0  -13 o  155.276   3.1472  3243.50  131.134  3243.50  131.134  3243.50  131.134  155.276   3.1472  155.276   3.1472 0.000000 0.000000 
1 1 1   14    0  -12 o   19.591   2.4107   53.856   12.170   53.856   12.170   53.856   12.170   19.591   2.4107   19.591   2.4107 0.000000 0.000000 
1 1 1   14    0  -11 o   33.464   1.2801  151.056   11.467  151.056   11.467  151.056   11.467   33.464   1.2801   33.464   1.2801 0.000000 0.000000 
1 1 1   14    0  -10 o  212.801   2.9353  6087.03  167.701  6087.03  167.701  6087.03  167.701  212.801   2.9353  212.801   2.9353 0.000000 0.000000 
1 1 1   14    0   -9 o  156.437   1.9907  3288.65   83.616  3288.65   83.616  3288.65   83.616  156.437   1.9907  156.437   1.9907 0.000000 0.000000 
1 1 1   14    0   -8 o  493.201   5.3717 32710.97  711.390 32710.97  711.390 32710.97  711.390  493.201   5.3717  493.201   5.3717 0.000000 0.000000 
1 1 1   14    0   -7 o   55.188   1.3121  409.737   19.425  409.737   19.425  409.737   19.425   55.188   1.3121   55.188   1.3121 0.000000 0.000000 
1 1 1   14    0   -6 o  123.467   1.4902  2048.26   49.403  2048.26   49.403  2048.26   49.403  123.467   1.4902  123.467   1.4902 0.000000 0.000000 
1 1 1   14    0   -5 o  316.129   3.4759 13430.66  295.059 13430.66  295.059 13430.66  295.059  316.129   3.4759  316.129   3.4759 0.000000 0.000000 
1 1 1   14    0   -4 o   64.739   1.1073  563.372   19.242  563.372   19.242  563.372   19.242   64.739   1.1073   64.739   1.1073 0.000000 0.000000 
1 1 1   14    0   -3 o   12.815   2.3495   24.158   7.2845   24.158   7.2845   24.158   7.2845   12.815   2.3495   12.815   2.3495 0.000000 0.000000 
1 1 1   14    0   -2 o  133.588   1.7413  2398.02   62.454  2398.02   62.454  2398.02   62.454  133.588   1.7413  133.588   1.7413 0.000000 0.000000 
1 1 1   14    0   -1 o  250.927   3.0542  8461.52  205.774  8461.52  205.774  8461.52  205.774  250.927   3.0542  250.927   3.0542 0.000000 0.000000 
1 1 1   14    0    0 o  681.289   7.4000 62439.96  1353.75 62439.96  1353.75 62439.96  1353.75  681.289   7.4000  681.289   7.4000 0.000000 0.000000 
1 1 1   14    0    1 o  227.364   2.7838  6946.79  169.942  6946.79  169.942  6946.79  169.942  227.364   2.7838  227.364   2.7838 0.000000 0.000000 
1 1 1   14    0    2 o  256.230   2.8429  8822.05  195.599  8822.05  195.599  8822.05  195.599  256.230   2.8429  256.230   2.8429 0.000000 0.000000 
1 1 1   14    0    3 o  170.840   2.1465  3921.93   98.459  3921.93   98.459  3921.93   98.459  170.840   2.1465  170.840   2.1465 0.000000 0.000000 
1 1 1   14    0    4 o  465.402   6.2139 29134.18  776.441 29134.18  776.441 29134.18  776.441  465.402   6.2139  465.402   6.2139 0.000000 0.000000 
1 1 1   14    0    5 o   36.752   1.1396  181.928   11.225  181.928   11.225  181.928   11.225   36.752   1.1396   36.752   1.1396 0.000000 0.000000 
1 1 1   14    0    6 o  212.673   2.6154  6078.17  149.349  6078.17  149.349  6078.17  149.349  212.673   2.6154  212.673   2.6154 0.000000 0.000000 
1 1 1   14    0    7 o  121.423   1.4732  1980.99   48.030  1980.99   48.030  1980.99   48.030  121.423   1.4732  121.423   1.4732 0.000000 0.000000 
1 1 1   14    0    8 o  100.355   1.3973  1353.40   37.648  1353.40   37.648  1353.40   37.648  100.355   1.3973  100.355   1.3973 0.000000 0.000000 
1 1 1   14    0    9 o  235.475   2.8763  7452.12  181.856  7452.12  181.856  7452.12  181.856  235.475   2.8763  235.475   2.8763 0.000000 0.000000 
1 1 1   14    0   10 o  199.667   2.2556  5357.08  120.932  5357.08  120.932  5357.08  120.932  199.667   2.2556  199.667   2.2556 0.000000 0.000000 
1 1 1   14    0   11 o  104.585   1.6119  1470.13   45.256  1470.13   45.256  1470.13   45.256  104.585   1.6119  104.585   1.6119 0.000000 0.000000 
1 1 1   14    0   12 o  184.177   2.5742  4559.53  127.284  4559.53  127.284  4559.53  127.284  184.177   2.5742  184.177   2.5742 0.000000 0.000000 
1 1 1   14    0   13 o   20.693   1.5602   58.487   8.5582   58.487   8.5582   58.487   8.5582   20.693   1.5602   20.693   1.5602 0.000000 0.000000 
1 1 1   14    0   14 o  114.017   1.4104  1746.79   43.177  1746.79   43.177  1746.79   43.177  114.017   1.4104  114.017   1.4104 0.000000 0.000000 
1 1 1   14    0   15 o  183.605   2.2940  4530.58  113.090  4530.58  113.090  4530.58  113.090  183.605   2.2940  183.605   2.2940 0.000000 0.000000 
1 1 1   14    0   16 o   42.177   1.1905  239.491   13.462  239.491   13.462  239.491   13.462   42.177   1.1905   42.177   1.1905 0.000000 0.000000 
1 1 1   14    0   17 o  181.751   2.0764  4439.04  101.336  4439.04  101.336  4439.04  101.336  181.751   2.0764  181.751   2.0764 0.000000 0.000000 
1 1 1   14    0   18 o  280.605   3.1054 10584.13  233.982 10584.13  233.982 10584.13  233.982  280.605   3.1054  280.605   3.1054 0.000000 0.000000 
1 1 1   14    0   19 o   87.539   1.1932  1029.79   28.043  1029.79   28.043  1029.79   28.043   87.539   1.1932   87.539   1.1932 0.000000 0.000000 
1 1 1   14    0   20 o   23.269   1.2356   73.335   7.6729   73.335   7.6729   73.335   7.6729   23.269   1.2356   23.269   1.2356 0.000000 0.000000 
1 1 1   14    0   21 o  275.930   3.3499 10237.49  248.188 10237.49  248.188 10237.49  248.188  275.930   3.3499  275.930   3.3499 0.000000 0.000000 
1 1 1   14    0   22 o   70.119   1.0787  660.825   20.306  660.825   20.306  660.825   20.306   70.119   1.0787   70.119   1.0787 0.000000 0.000000 
1 1 1   14    0   23 o   21.858   1.3424   64.896   7.8130   64.896   7.8130   64.896   7.8130   21.858   1.3424   21.858   1.3424 0.000000 0.000000 
1 1 1   14    0   24 o  156.409   1.8311  3287.76   76.903  3287.76   76.903  3287.76   76.903  156.409   1.8311  156.409   1.8311 0.000000 0.000000 
1 1 1   14    0   25 o  176.497   2.0320  4186.98   96.298  4186.98   96.298  4186.98   96.298  176.497   2.0320  176.497   2.0320 0.000000 0.000000 
1 1 1   14    0   26 o   38.273   1.2199  197.358   12.511  197.358   12.511  197.358   12.511   38.273   1.2199   38.273   1.2199 0.000000 0.000000 
1 1 1   14    0   27 o   89.588   1.5147  1079.13   36.424  1079.13   36.424  1079.13   36.424   89.588   1.5147   89.588   1.5147 0.000000 0.000000 
1 1 1   14    0   28 f  274.291   3.3381 10126.43  245.847 10126.43  245.847 10126.43  245.847  274.291   3.3381  274.291   3.3381 0.000000 0.000000 
1 1 1   14    0   29 f  102.510   1.6272  1412.98   44.777  1412.98   44.777  1412.98   44.777  102.510   1.6272  102.510   1.6272 0.000000 0.000000 
1 1 1   14    0   30 o   47.417   1.2099  302.635   15.387  302.635   15.387  302.635   15.387   47.417   1.2099   47.417   1.2099 0.000000 0.000000 
1 1 1   14    0   31 o   8.0942   3.2281   12.187   6.7926   12.187   6.7926   12.187   6.7926   8.0942   3.2281   8.0942   3.2281 0.000000 0.000000 
1 1 1   14    0   32 o   99.773   1.4348  1338.51   38.433  1338.51   38.433  1338.51   38.433   99.773   1.4348   99.773   1.4348 0.000000 0.000000 
1 1 1   14    0   33 o   80.666   1.3104  875.073   28.375  875.073   28.375  875.073   28.375   80.666   1.3104   80.666   1.3104 0.000000 0.000000 
1 1 1   14    0   34 o   59.023   1.2707  468.779   20.123  468.779   20.123  468.779   20.123   59.023   1.2707   59.023   1.2707 0.000000 0.000000 
1 1 1   14    0   35 o   57.909   1.0823  451.042   16.821  451.042   16.821  451.042   16.821   57.909   1.0823   57.909   1.0823 0.000000 0.000000 
1 1 1   14    0   36 o  176.785   2.0492  4206.99   97.275  4206.99   97.275  4206.99   97.275  176.785   2.0492  176.785   2.0492 0.000000 0.000000 
1 1 1   14    0   37 f   28.678   1.2252  111.137   9.3982  111.137   9.3982  111.137   9.3982   28.678   1.2252   28.678   1.2252 0.000000 0.000000 
1 1 1   14    0   38 o   5.8754   3.1852   6.5821   7.0546   6.5821   7.0546   6.5821   7.0546   5.8754   3.1852   5.8754   3.1852 0.000000 0.000000 
1 1 1   14    0   39 o   31.076   1.2268  130.435   10.203  130.435   10.203  130.435   10.203   31.076   1.2268   31.076   1.2268 0.000000 0.000000 
1 1 1   14    0   40 o   77.262   1.1919  803.162   24.721  803.162   24.721  803.162   24.721   77.262   1.1919   77.262   1.1919 0.000000 0.000000 
1 1 1   14    0   41 o   83.668   1.3638  942.517   30.629  942.517   30.629  942.517   30.629   83.668   1.3638   83.668   1.3638 0.000000 0.000000 
1 1 1   14    0   42 o   4.4702   2.8510   0.6500   7.5831   0.6500   7.5831   0.6500   7.5831   4.4702   2.8510   4.4702   2.8510 0.000000 0.000000 
1 1 1   14    0   43 o   5.5318   3.3543   3.9420   9.2350   3.9420   9.2350   3.9420   9.2350   5.5318   3.3543   5.5318   3.3543 0.000000 0.000000 
1 1 1   14    0   44 o   21.538   1.7669   63.789   10.063   63.789   10.063   63.789   10.063   21.538   1.7669   21.538   1.7669 0.000000 0.000000 
1 1 1   14    0   45 o   64.204   1.1705  555.217   20.170  555.217   20.170  555.217   20.170   64.204   1.1705   64.204   1.1705 0.000000 0.000000 
1 1 1   14    0   46 o   10.068   3.1331   17.199   7.4248   17.199   7.4248   17.199   7.4248   10.068   3.1331   10.068   3.1331 0.000000 0.000000 
1 1 1   14    0   47 o   12.699   3.1000   25.435   9.1602   25.435   9.1602   25.435   9.1602   12.699   3.1000   12.699   3.1000 0.000000 0.000000 
1 1 1   14    0   48 o   7.2866   3.7295   10.741   9.2427   10.741   9.2427   10.741   9.2427   7.2866   3.7295   7.2866   3.7295 0.000000 0.000000 
1 1 1   14    0   49 o   7.7860   3.7250   12.282   8.9530   12.282   8.9530   12.282   8.9530   7.7860   3.7250   7.7860   3.7250 0.000000 0.000000 
1 1 1   14    0   50 o   15.324   2.5603   34.483   9.6539   34.483   9.6539   34.483   9.6539   15.324   2.5603   15.324   2.5603 0.000000 0.000000 
1 1 1   14    0   51 o   66.598   1.2259  598.564   21.911  598.564   21.911  598.564   21.911   66.598   1.2259   66.598   1.2259 0.000000 0.000000 
1 1 1   14    0   52 o   38.341   1.3847  199.206   14.217  199.206   14.217  199.206   14.217   38.341   1.3847   38.341   1.3847 0.000000 0.000000 
1 1 1   14    0   53 o   4.2499   2.8513  -3.2340   9.1456  -3.2340   9.1456  -3.2340   9.1456   4.2499   2.8513   4.2499   2.8513 0.000000 0.000000 
1 1 1   14    0   54 o   84.906   1.3285  974.173   30.281  974.173   30.281  974.173   30.281   84.906   1.3285   84.906   1.3285 0.000000 0.000000 
1 1 1   14    0   55 o   6.7400   3.8074   8.7488   10.566   8.7488   10.566   8.7488   10.566   6.7400   3.8074   6.7400   3.8074 0.000000 0.000000 
1 1 1   14    0   56 o   6.0174   3.7044   4.7467   11.651   4.7467   11.651   4.7467   11.651   6.0174   3.7044   6.0174   3.7044 0.000000 0.000000 
1 1 1   14    0   57 o   22.362   2.3394   71.153   13.699   71.153   13.699   71.153   13.699   22.362   2.3394   22.362   2.3394 0.000000 0.000000 
1 1 1   14    0   58 o   32.521   1.9624  146.983   16.998  146.983   16.998  146.983   16.998   32.521   1.9624   32.521   1.9624 0.000000 0.000000 
1 1 1   14    0   59 o   17.440   2.9315   46.398   12.566   46.398   12.566   46.398   12.566   17.440   2.9315   17.440   2.9315 0.000000 0.000000 
1 1 1   14    0   60 f   4.7666   3.2244  -3.5749   12.160  -3.5749   12.160  -3.5749   12.160   4.7666   3.2244   4.7666   3.2244 0.000000 0.000000 
1 1 1   14    1  -59 o   28.202   2.3170  111.665   17.396   99.130   20.721  141.600   32.021   26.183   3.0006   30.566   3.9960 -4.383314 4.997171 
1 1 1   14    1  -58 o   14.406   3.8649   31.543   15.265   24.262   21.640   38.752   21.535   13.112   4.7597   15.700   4.7225 -2.588476 6.704928 
1 1 1   14    1  -57 o   30.014   1.0606  121.707   8.5501  119.096   12.149  124.268   12.035   29.556   1.5357   30.243   1.4816 -0.6869335 2.133888 
1 1 1   14    1  -56 o   17.916   1.5741   43.912   7.4982   43.715   10.648   44.105   10.561   17.697   2.2940   17.787   2.2618 -0.8933449E-01 3.221516 
1 1 1   14    1  -55 o   23.062   1.2397   72.050   7.6511   64.169   10.726   80.215   10.917   21.639   1.8636   24.252   1.6866 -2.612438 2.513461 
1 1 1   14    1  -54 o   49.885   0.9999  335.328   13.398  336.626   18.866  334.007   19.031   49.899   1.4076   49.700   1.4256 0.1987267 2.003443 
1 1 1   14    1  -53 o   31.285   1.0659  131.911   8.9571  118.473   11.852  149.806   13.677   29.561   1.4977   33.278   1.5302 -3.716562 2.141150 
1 1 1   14    1  -52 o   12.397   2.2000   21.537   7.0568   24.081   9.4019   18.255   10.679   13.005   2.7762   11.350   3.3034 1.654571 4.315025 
1 1 1   14    1  -51 o   25.115   1.2509   85.100   8.4382   76.821   12.060   93.041   11.811   23.715   1.9095   26.157   1.6902 -2.442423 2.550091 
1 1 1   14    1  -50 o   49.665   0.9402  332.093   12.542  309.396   17.445  356.374   18.044   47.872   1.3568   51.387   1.3073 -3.515686 1.884153 
1 1 1   14    1  -49 o   12.598   2.3094   22.275   7.5262   17.795   10.713   26.642   10.576   11.243   3.3189   13.670   2.9657 -2.426783 4.450928 
1 1 1   14    1  -48 f   25.260   1.0311   85.917   6.9958   90.324   10.115   81.875   9.6857   25.824   1.4644   24.581   1.4738 1.242863 2.077621 
1 1 1   14    1  -47 o   63.161   0.8170  536.560   13.861  555.430   19.847  518.594   19.366   64.215   1.1507   62.047   1.1620 2.167713 1.635379 
1 1 1   14    1  -46 o   14.852   1.5286   30.078   6.0109   25.452   8.1770   35.516   8.8661   13.503   2.3393   16.056   2.1068 -2.552145 3.148167 
1 1 1   14    1  -45 o   57.872   0.8679  450.424   13.491  469.329   21.407  437.968   17.376   59.014   1.3505   57.037   1.1343 1.976715 1.763657 
1 1 1   14    1  -44 o   13.709   1.5764   25.682   5.6988   31.331   8.0139   19.902   8.1055   15.087   2.0292   11.875   2.6123 3.211535 3.307783 
1 1 1   14    1  -43 o   98.340   0.9469  1300.71   25.011  1307.33   35.480  1294.16   35.263   98.516   1.3409   98.019   1.3394 0.4973984 1.895246 
1 1 1   14    1  -42 o   23.229   1.1197   72.606   6.9860   76.685   9.9183   68.590   9.8415   23.800   1.5602   22.493   1.6403 1.306971 2.263775 
1 1 1   14    1  -41 o   46.977   0.8461  296.666   10.676  296.496   16.065  296.801   14.287   46.933   1.2744   46.969   1.1325 -0.3548813E-01 1.704872 
1 1 1   14    1  -40 o   34.327   0.8413  158.389   7.7570  162.776   11.745  154.995   10.331   34.780   1.2573   33.945   1.1331 0.8351173 1.692527 
1 1 1   14    1  -39 o   66.315   0.9272  591.146   16.514  619.630   25.237  569.815   21.840   67.854   1.3847   65.082   1.2494 2.771942 1.865045 
1 1 1   14    1  -38 o   44.301   0.7903  263.728   9.4040  262.454   13.189  265.045   13.412   44.181   1.1114   44.398   1.1247 -0.2168961 1.581219 
1 1 1   14    1  -37 o   61.281   0.7634  504.579   12.564  513.699   17.833  495.591   17.705   61.817   1.0741   60.717   1.0857 1.099991 1.527175 
1 1 1   14    1  -36 o   13.831   1.2858   25.942   4.7219   26.799   6.7495   25.121   6.6083   13.989   1.8411   13.532   1.8679 0.4564362 2.622783 
1 1 1   14    1  -35 o   45.651   0.8424  280.014   10.328  293.652   14.521  266.050   14.694   46.739   1.1567   44.486   1.2298 2.253506 1.688278 
1 1 1   14    1  -34 f   21.565   1.2941   62.745   7.4610   56.613   11.099   67.800   10.078   20.402   2.0533   22.385   1.6886 -1.983208 2.658431 
1 1 1   14    1  -33 o   60.714   0.7398  495.200   12.064  495.925   17.074  494.478   17.048   60.749   1.0464   60.660   1.0464 0.8871841E-01 1.479832 
1 1 1   14    1  -32 o   66.631   0.7566  596.414   13.540  597.803   19.138  595.023   19.160   66.699   1.0683   66.543   1.0720 0.1554184 1.513420 
1 1 1   14    1  -31 o   42.538   0.6953  243.066   7.9443  239.205   11.162  247.031   11.309   42.194   0.9849   42.879   0.9820 -0.6847115 1.390801 
1 1 1   14    1  -30 o   91.869   1.0572  1133.98   26.087  1095.35   36.312  1175.19   37.503   90.270   1.4976   93.502   1.4933 -3.232330 2.114945 
1 1 1   14    1  -29 o   60.984   0.7861  499.570   12.877  504.888   16.923  492.258   19.845   61.303   1.0278   60.527   1.2207 0.7763786 1.595787 
1 1 1   14    1  -28 o   25.216   0.7469   85.407   5.0588   86.184   7.1253   84.617   7.1834   25.328   1.0474   25.097   1.0657 0.2314262 1.494200 
1 1 1   14    1  -27 o   83.984   0.8263  947.414   18.640  957.891   26.489  937.137   26.234   84.440   1.1680   83.520   1.1695 0.9197998 1.652799 
1 1 1   14    1  -26 o  204.517   1.7114  5621.14   94.011  5599.08  139.313  5639.59  127.388  204.029   2.5422  204.792   2.3159 -0.7635651 3.438924 
1 1 1   14    1  -25 o  130.657   1.3826  2293.51   48.521  2290.87   68.580  2296.17   68.658  130.555   1.9557  130.706   1.9557 -0.1508484 2.765824 
1 1 1   14    1  -24 o   62.334   0.9482  521.897   15.875  522.192   22.258  521.592   22.647   62.346   1.3292   62.310   1.3532 0.3625107E-01 1.896801 
1 1 1   14    1  -23 o   39.729   1.2873  212.028   13.736  203.079   22.957  217.018   17.144   38.807   2.2117   40.190   1.5881 -1.383018 2.722795 
1 1 1   14    1  -22 o  233.886   2.2704  7352.28  142.626  7289.29  200.629  7416.63  202.797  232.788   3.2088  234.812   3.2155 -2.023834 4.542656 
1 1 1   14    1  -21 f   92.252   1.1565  1143.13   28.656  1180.24   38.571  1097.41   42.809   93.731   1.5321   90.377   1.7636 3.353859 2.336130 
1 1 1   14    1  -20 o  162.880   1.6424  3564.16   71.854  3598.18  102.166  3530.87  101.076  163.626   2.3247  162.089   2.3217 1.537506 3.285469 
1 1 1   14    1  -19 o  187.191   2.6213  4709.86  131.793  4541.44  182.249  4894.48  190.813  183.735   3.6930  190.740   3.7245 -7.005112 5.245059 
1 1 1   14    1  -18 o   98.457   1.1217  1302.02   29.662  1329.68   42.425  1275.57   41.488   99.489   1.5876   97.444   1.5852 2.045181 2.243513 
1 1 1   14    1  -17 o   79.975   1.0668  859.067   22.915  845.567   34.802  869.398   30.445   79.337   1.6332   80.450   1.4090 -1.113380 2.156963 
1 1 1   14    1  -16 o  224.969   2.1860  6800.45  132.088  6791.78  186.635  6809.15  186.967  224.766   3.0915  225.053   3.0931 -0.2870026 4.373153 
1 1 1   14    1  -15 o  150.531   1.5307  3043.84   61.890  3062.76   87.832  3025.18   87.223  150.978   2.1659  150.049   2.1642 0.9289246 3.061887 
1 1 1   14    1  -14 o  229.910   2.2293  7102.46  137.665  7062.68  193.982  7142.83  195.400  229.205   3.1510  230.501   3.1562 -1.296539 4.459832 
1 1 1   14    1  -13 o  311.144   2.9685 13013.24  248.078 12872.66  348.354 13157.89  353.372  309.317   4.1930  312.724   4.2071 -3.406281 5.939750 
1 1 1   14    1  -12 o  271.998   3.6936  9948.92  269.838 10088.92  385.062  9813.84  378.247  273.719   5.2376  269.964   5.2165 3.754364 7.392178 
1 1 1   14    1  -11 o  240.464   3.2875  7773.55  212.329  7607.49  296.235  7948.99  304.491  237.757   4.6389  243.032   4.6647 -5.275101 6.578604 
1 1 1   14    1  -10 o  239.328   2.0691  7695.22  133.004  7827.67  189.899  7567.68  186.344  241.330   2.9297  237.289   2.9238 4.041290 4.139020 
1 1 1   14    1   -9 o  398.418   3.0785 21335.57  329.434 21101.17  462.568 21576.84  469.285  396.059   4.3483  400.496   4.3626 -4.436951 6.159584 
1 1 1   14    1   -8 o  354.048   2.7424 16844.49  260.790 16762.42  367.714 16927.54  369.921  353.074   3.8775  354.808   3.8817 -1.734344 5.486594 
1 1 1   14    1   -7 o  251.027   1.9707  8465.18  132.875  8426.58  187.412  8504.21  188.419  250.416   2.7864  251.566   2.7886 -1.150681 3.942089 
1 1 1   14    1   -6 o  290.783   2.2671 11359.64  177.062 11504.18  252.545 11219.91  248.314  292.570   3.2138  288.934   3.1997 3.636261 4.535043 
1 1 1   14    1   -5 f  166.383   1.4826  3718.31   66.257  3716.02   93.710  3720.60   93.693  166.318   2.0977  166.421   2.0961 -0.1023254 2.965482 
1 1 1   14    1   -4 o  518.562   3.9879 36152.18  555.441 35948.29  782.564 36359.18  788.494  516.819   5.6375  519.762   5.6481 -2.943176 7.980148 
1 1 1   14    1   -3 o  134.729   1.3056  2438.01   47.246  2393.21   62.816  2496.38   71.694  133.480   1.7521  136.323   1.9580 -2.843384 2.627499 
1 1 1   14    1   -2 o  501.330   4.0287 33788.12  542.472 33408.50  798.670 34113.24  739.128  498.195   5.9686  503.515   5.4653 -5.320343 8.092859 
1 1 1   14    1   -1 o  207.884   1.9093  5805.05  106.606  5801.03  143.067  5810.06  159.852  207.793   2.5634  207.944   2.8621 -0.1509399 3.842188 
1 1 1   14    1    0 o  145.705   1.2067  2851.34   47.224  2854.49   66.818  2848.21   66.752  145.778   1.7065  145.618   1.7067 0.1604919 2.413500 
1 1 1   14    1    1 o  399.321   3.0838 21427.29  330.747 21684.20  471.429 21178.25  464.148  401.585   4.3707  396.874   4.3542 4.710907 6.169441 
1 1 1   14    1    2 o  105.923   0.9392  1506.83   26.720  1515.90   37.931  1497.88   37.647  106.238   1.3293  105.605   1.3272 0.6333389 1.878450 
1 1 1   14    1    3 o  138.649   1.1580  2581.86   43.126  2583.32   61.014  2580.41   60.964  138.682   1.6380  138.604   1.6376 0.7836914E-01 2.316201 
1 1 1   14    1    4 o   41.724   0.7085  233.807   7.9406  243.265   11.384  224.845   11.082   42.559   0.9959   40.916   1.0084 1.643032 1.417232 
1 1 1   14    1    5 f   93.406   1.0534  1171.78   26.427  1140.63   36.933  1204.46   37.831   92.152   1.4922   94.696   1.4874 -2.543541 2.106850 
1 1 1   14    1    6 o  284.016   2.2167 10836.91  169.099 10768.42  238.199 10906.50  240.096  283.065   3.1330  284.874   3.1379 -1.808655 4.434206 
1 1 1   14    1    7 o   60.281   0.8426  488.024   13.642  492.843   17.312  480.128   22.160   60.576   1.0640   59.788   1.3799 0.7883034 1.742499 
1 1 1   14    1    8 o  150.711   1.2431  3050.77   50.319  3054.87   71.214  3046.68   71.111  150.803   1.7582  150.601   1.7580 0.2021179 2.486316 
1 1 1   14    1    9 o  263.992   2.1604  9363.14  153.182  9450.37  208.648  9261.16  225.610  265.173   2.9295  262.486   3.2001 2.687256 4.338481 
1 1 1   14    1   10 o  130.996   1.2145  2304.82   42.733  2309.88   67.738  2301.48   55.074  131.126   1.9233  130.895   1.5665 0.2310791 2.480558 
1 1 1   14    1   11 o  313.591   2.5480 13214.93  214.609 13449.20  293.770 12946.83  314.271  316.274   3.4582  310.276   3.7711 5.997406 5.116653 
1 1 1   14    1   12 o  187.724   1.6528  4733.90   83.334  4679.84  116.988  4789.59  118.734  186.624   2.3339  188.800   2.3414 -2.175369 3.305969 
1 1 1   14    1   13 o  255.607   2.1993  8778.64  150.990  8722.63  194.081  8864.50  240.318  254.748   2.8365  256.756   3.4848 -2.008347 4.493244 
1 1 1   14    1   14 o  124.172   1.2272  2070.98   40.927  2039.23   60.875  2097.17   55.288  123.204   1.8396  124.946   1.6475 -1.742577 2.469456 
1 1 1   14    1   15 o  258.021   2.2188  8945.49  153.769  8977.78  217.851  8913.42  217.075  258.417   3.1387  257.489   3.1388 0.9279480 4.438825 
1 1 1   14    1   16 o  267.079   2.0933  9584.14  150.161  9590.13  212.448  9578.16  212.271  267.097   2.9614  266.930   2.9607 0.1667480 4.187558 
1 1 1   14    1   17 o   68.504   0.8525  630.273   15.685  623.825   23.459  635.486   21.092   68.149   1.2816   68.784   1.1417 -0.6353760 1.716384 
1 1 1   14    1   18 o  120.556   1.0435  1952.09   33.788  1952.21   47.780  1951.96   47.786  120.552   1.4756  120.545   1.4759 0.7911682E-02 2.087051 
1 1 1   14    1   19 o  277.508   2.1726 10348.33  161.935 10380.63  229.375 10316.23  228.648  277.858   3.0735  276.994   3.0733 0.8632202 4.346439 
1 1 1   14    1   20 o  192.133   1.6894  4959.46   87.181  4905.05  122.471  5015.35  124.132  191.040   2.3868  193.176   2.3924 -2.135681 3.379428 
1 1 1   14    1   21 f   83.050   0.8929  926.390   19.917  947.472   28.483  906.219   27.861   83.985   1.2627   82.136   1.2629 1.848724 1.785864 
1 1 1   14    1   22 o  106.910   0.9609  1535.17   27.593  1553.25   39.255  1517.52   38.795  107.529   1.3592  106.285   1.3590 1.243988 1.922028 
1 1 1   14    1   23 o   94.767   1.0983  1206.34   27.956  1198.98   39.629  1213.63   39.442   94.468   1.5618   95.043   1.5451 -0.5758514 2.196949 
1 1 1   14    1   24 o  223.488   1.9455  6712.52  116.784  6698.62  184.519  6721.80  150.840  223.136   3.0788  223.589   2.5117 -0.4533386 3.973379 
1 1 1   14    1   25 o  204.375   1.7092  5612.90   93.826  5557.75  138.266  5659.97  127.738  203.293   2.5322  205.176   2.3179 -1.883804 3.432909 
1 1 1   14    1   26 o  276.207   2.1663 10257.00  160.712 10208.26  226.550 10306.37  228.019  275.396   3.0628  276.715   3.0679 -1.319183 4.335062 
1 1 1   14    1   27 o  191.016   1.6114  4903.52   82.672  4937.81  112.379  4863.07  122.052  191.626   2.1834  190.146   2.3898 1.480042 3.237069 
1 1 1   14    1   28 o  149.587   1.3698  3006.78   55.035  3006.61   70.960  3007.03   87.186  149.553   1.7665  149.527   2.1709 0.2638245E-01 2.798823 
1 1 1   14    1   29 o  143.937   1.3986  2784.28   54.072  2768.88   72.316  2803.80   81.432  143.498   1.8763  144.377   2.0999 -0.8788605 2.816032 
1 1 1   14    1   30 o  101.254   0.9385  1377.34   25.524  1372.93   36.041  1381.79   36.153  101.073   1.3276  101.398   1.3275 -0.3254852 1.877413 
1 1 1   14    1   31 o  106.588   1.0164  1526.46   29.099  1565.59   39.821  1481.64   42.625  107.923   1.3738  104.980   1.5117 2.943245 2.042668 
1 1 1   14    1   32 o   19.697   1.0962   52.297   5.7765   55.094   7.9920   49.237   8.3589   20.188   1.4843   19.063   1.6488 1.125551 2.218474 
1 1 1   14    1   33 o   47.667   0.8254  305.259   10.567  303.585   14.284  307.283   15.705   47.528   1.1189   47.813   1.2229 -0.2852402 1.657558 
1 1 1   14    1   34 f  137.840   1.2298  2554.07   45.529  2532.21   67.243  2572.57   61.867  137.169   1.8251  138.283   1.6657 -1.113480 2.470985 
1 1 1   14    1   35 o   18.616   1.1586   46.764   5.7644   40.966   8.4799   51.744   7.8596   17.347   1.8485   19.556   1.5080 -2.208529 2.385548 
1 1 1   14    1   36 o   69.116   0.8766  641.905   16.273  624.031   25.655  653.938   21.050   68.116   1.4023   69.748   1.1237 -1.631844 1.796929 
1 1 1   14    1   37 o   85.042   0.8672  971.854   19.809  962.314   27.847  981.627   28.184   84.596   1.2255   85.441   1.2282 -0.8444290 1.735027 
1 1 1   14    1   38 o   57.941   0.7729  451.112   12.029  452.233   17.017  449.992   17.005   57.997   1.0924   57.853   1.0944 0.1439934 1.546309 
1 1 1   14    1   39 o   43.866   0.7780  258.586   9.1666  266.220   13.006  251.050   12.922   44.495   1.0883   43.207   1.1135 1.287617 1.556964 
1 1 1   14    1   40 o   48.577   0.8607  317.202   11.230  318.668   15.853  315.725   15.909   48.667   1.2128   48.441   1.2228 0.2259712 1.722197 
1 1 1   14    1   41 o   34.649   0.9009  161.412   8.3844  163.855   12.762  159.557   11.122   34.884   1.3620   34.434   1.2025 0.4505959 1.816912 
1 1 1   14    1   42 o   36.352   0.9119  177.699   8.9036  179.717   13.924  176.302   11.581   36.524   1.4193   36.192   1.1913 0.3319321 1.853014 
1 1 1   14    1   43 o   19.568   1.2485   51.763   6.5273   55.460   9.2376   48.077   9.2244   20.200   1.7190   18.777   1.8532 1.422606 2.527702 
1 1 1   14    1   44 o   61.966   0.8904  516.394   14.819  513.795   19.108  520.317   23.475   61.781   1.1515   62.135   1.4066 -0.3548584 1.817840 
1 1 1   14    1   45 o   43.804   0.8445  258.030   9.9363  272.895   13.840  242.220   14.274   45.022   1.1445   42.406   1.2532 2.616245 1.697194 
1 1 1   14    1   46 o   47.854   0.9035  308.056   11.613  306.365   15.109  310.498   18.153   47.694   1.1794   47.986   1.4084 -0.2914581 1.837056 
1 1 1   14    1   47 o   36.846   0.9212  182.674   9.1164  200.330   12.604  163.303   13.202   38.558   1.2170   34.793   1.4127 3.765358 1.864631 
1 1 1   14    1   48 f   31.004   1.0261  129.434   8.5446  121.917   11.925  137.365   12.249   30.048   1.4775   31.901   1.4296 -1.852421 2.055954 
1 1 1   14    1   49 o   13.143   2.5437   24.372   8.6545   8.0769   15.624   31.584   10.395   9.9238   3.9356   14.975   2.6829 -5.051695 4.763075 
1 1 1   14    1   50 o   30.114   1.0137  122.143   8.1993  122.777   11.702  121.532   11.492   30.146   1.4453   29.995   1.4264 0.1509914 2.030639 
1 1 1   14    1   51 o   36.121   0.9485  175.689   9.2021  168.480   12.954  183.033   13.074   35.322   1.3654   36.822   1.3220 -1.500229 1.900522 
1 1 1   14    1   52 o   34.233   1.1176  157.973   10.276  164.826   14.554  151.161   14.510   34.907   1.5523   33.419   1.6166 1.488365 2.241208 
1 1 1   14    1   53 o   41.898   1.0359  236.538   11.657  238.396   17.760  235.131   15.452   41.970   1.5754   41.719   1.3789 0.2508240 2.093664 
1 1 1   14    1   54 o   15.534   1.9235   33.293   7.8541   45.451   10.328   16.618   12.095   18.131   2.1635   11.011   3.5748 7.120344 4.178461 
1 1 1   14    1   55 o   25.103   1.2321   85.116   8.3073  101.056   12.026   70.566   11.489   27.241   1.6513   22.690   1.9028 4.551594 2.519459 
1 1 1   14    1   56 o   25.389   1.4492   87.661   9.8414   77.618   14.371   96.530   13.505   23.662   2.2899   26.529   1.9081 -2.867640 2.980655 
1 1 1   14    1   57 o   33.453   1.2448  151.533   11.185  152.481   14.706  150.231   17.227   33.458   1.6365   33.059   1.9487 0.3985672 2.544724 
1 1 1   14    1   58 o   18.403   2.0048   47.134   9.7495   45.334   13.326   49.207   14.301   17.717   2.9008   18.435   2.9907 -0.7182407 4.166372 
1 1 1   14    1   59 o   7.0421   2.9195   2.6400   9.0504   0.6849   13.857   4.0943   11.952   8.0716   3.4888   8.1156   3.3590 -0.4397202E-01 4.842972 
1 1 1   14    1   60 o   8.4187   3.0224   9.1625   8.6950   11.349   12.325   6.9967   12.268   9.5184   3.5676   8.6510   3.4686 0.8674088 4.975898 
1 1 1   14    2  -59 o   10.411   4.2189   10.664   18.359   21.440   25.267  -1.3870   26.721   12.762   5.0227   10.441   4.6644 2.321017 6.854478 
1 1 1   14    2  -58 o   9.6428   3.7342   10.172   13.785   12.922   19.831   7.6003   19.175   11.078   4.4211   10.220   4.2443 0.8586454 6.128650 
1 1 1   14    2  -57 o   29.086   1.7137  115.901   13.328  107.709   19.203  123.516   18.515   27.675   2.6143   29.783   2.3331 -2.108437 3.503972 
1 1 1   14    2  -56 o   19.560   1.4902   52.224   7.7700   47.591   11.019   56.806   10.958   18.468   2.2692   20.267   2.0408 -1.799181 3.051911 
1 1 1   14    2  -55 o   14.950   1.9520   30.973   7.6511   38.764   11.118   23.964   10.545   16.586   2.5796   12.863   3.0908 3.722601 4.025816 
1 1 1   14    2  -54 o   7.3296   2.6903   6.0157   6.9415   3.1519   9.4002   9.4500   10.294   7.3721   3.0070   8.9968   3.2802 -1.624720 4.449918 
1 1 1   14    2  -53 o   38.460   0.9137  199.190   9.4391  186.888   13.319  211.605   13.379   37.197   1.3331   39.593   1.2581 -2.395832 1.833040 
1 1 1   14    2  -52 o   5.3053   2.3284  -1.4952   6.3751  -6.3789   8.9575   3.5174   9.0750   5.6310   2.5877   7.3628   2.9723 -1.731805 3.940905 
1 1 1   14    2  -51 o   36.820   1.1166  182.758   11.043  179.737   16.959  184.982   14.550   36.418   1.7338   36.993   1.4644 -0.5755577 2.269491 
1 1 1   14    2  -50 o   27.169   1.2707   99.603   9.2723   84.200   11.744  125.096   15.108   24.863   1.7702   30.309   1.8649 -5.445990 2.571319 
1 1 1   14    2  -49 o   40.008   0.8355  215.387   8.9782  226.726   12.572  203.584   12.826   41.013   1.1413   38.852   1.2291 2.160877 1.677264 
1 1 1   14    2  -48 o   29.593   0.9509  117.886   7.5580  111.923   10.479  124.349   10.911   28.799   1.3548   30.358   1.3381 -1.558466 1.904198 
1 1 1   14    2  -47 o   11.330   1.9576   17.883   5.7420   19.791   8.2383   16.080   8.0075   11.813   2.6605   10.649   2.7724 1.163560 3.842492 
1 1 1   14    2  -46 o   29.784   0.9318  119.355   7.4537  115.722   10.462  123.100   10.622   29.298   1.3295   30.220   1.3087 -0.9214191 1.865503 
1 1 1   14    2  -45 o   16.445   1.4886   36.773   6.5036   27.493   9.4294   45.193   8.9820   13.997   2.6041   18.188   1.8650 -4.191389 3.203014 
1 1 1   14    2  -44 o   72.515   0.9050  707.263   17.626  708.068   27.684  706.715   22.857   72.476   1.4221   72.449   1.1746 0.2616119E-01 1.844508 
1 1 1   14    2  -43 o   5.6591   2.3229   1.4215   5.6539  -3.9777   8.1277   6.4841   7.8702   5.6617   2.5476   7.7572   2.8620 -2.095455 3.831596 
1 1 1   14    2  -42 o   41.620   0.8405  232.906   9.3956  235.142   14.479  231.279   12.349   41.787   1.2901   41.457   1.1090 0.3299561 1.701205 
1 1 1   14    2  -41 o   38.838   0.8984  202.822   9.3718  196.883   12.975  209.301   13.552   38.243   1.2631   39.429   1.2796 -1.186314 1.798038 
1 1 1   14    2  -40 o   66.565   0.8763  595.679   15.667  595.882   22.097  595.474   22.215   66.542   1.2364   66.519   1.2434 0.2358246E-01 1.753459 
1 1 1   14    2  -39 o   9.0045   2.0149   11.373   4.7514   11.349   6.6846   11.397   6.7549   9.0567   2.6071   9.0794   2.6228 -0.2271080E-01 3.698115 
1 1 1   14    2  -38 o   60.852   0.9809  497.791   16.032  504.963   22.339  490.174   23.021   61.261   1.3576   60.351   1.4202 0.9091911 1.964709 
1 1 1   14    2  -37 o   91.232   0.9635  1118.73   23.611  1129.01   33.353  1108.40   33.428   91.612   1.3555   90.770   1.3711 0.8418884 1.928038 
1 1 1   14    2  -36 o   32.711   0.8360  143.780   7.3449  139.003   11.361  147.210   9.6272   32.149   1.3157   33.093   1.0831 -0.9430656 1.704203 
1 1 1   14    2  -35 o  114.015   1.1256  1747.41   34.468  1750.42   48.775  1744.41   48.716  114.060   1.5921  113.864   1.5929 0.1960983 2.252163 
1 1 1   14    2  -34 f  110.348   1.0855  1636.58   32.172  1626.23   41.541  1652.09   50.855  109.969   1.4064  110.804   1.7088 -0.8356018 2.213135 
1 1 1   14    2  -33 o   79.669   0.8880  852.817   19.001  872.194   30.094  839.972   24.502   80.540   1.3912   79.053   1.1540 1.486717 1.807483 
1 1 1   14    2  -32 o   88.324   0.8630  1048.11   20.472  1069.12   29.160  1027.68   28.748   89.186   1.2173   87.440   1.2241 1.746063 1.726330 
1 1 1   14    2  -31 o  127.182   1.0965  2173.63   37.457  2156.52   52.703  2191.10   53.246  126.642   1.5494  127.652   1.5530 -1.010780 2.193728 
1 1 1   14    2  -30 o   29.418   0.7213  116.251   5.6991  113.815   7.9828  118.784   8.1390   29.105   1.0212   29.733   1.0191 -0.6285706 1.442716 
1 1 1   14    2  -29 o   54.896   0.7835  404.814   11.553  410.134   17.245  400.483   15.561   55.248   1.1621   54.596   1.0611 0.6513863 1.573711 
1 1 1   14    2  -28 o   44.912   0.7299  270.934   8.8052  262.654   11.437  282.981   13.796   44.217   0.9630   45.894   1.1192 -1.676468 1.476537 
1 1 1   14    2  -27 o  189.589   1.6780  4831.27   85.449  4818.35  135.227  4839.87  110.250  189.213   2.6608  189.704   2.1638 -0.4911194 3.429575 
1 1 1   14    2  -26 o   23.530   1.0205   74.374   6.4492   63.930   11.157   79.615   7.9035   21.722   1.9325   24.343   1.2088 -2.621597 2.279363 
1 1 1   14    2  -25 o   89.055   1.0764  1065.37   25.746  1082.61   36.737  1048.73   36.092   89.761   1.5238   88.345   1.5210 1.415802 2.153013 
1 1 1   14    2  -24 o   79.316   1.4539  845.235   30.973  777.257   42.856  919.573   44.815   76.041   2.0983   82.713   2.0173 -6.672043 2.910703 
1 1 1   14    2  -23 f   49.562   1.3125  329.989   17.471  338.670   24.610  321.168   24.808   50.202   1.8251   48.886   1.8894 1.315464 2.626946 
1 1 1   14    2  -22 o  243.426   2.3570  7965.47  154.103  8039.67  219.220  7892.99  216.671  244.439   3.3390  242.200   3.3307 2.238922 4.716205 
1 1 1   14    2  -21 o   77.296   1.0682  802.517   22.177  825.425   34.597  786.538   28.895   78.382   1.6433   76.518   1.4059 1.864265 2.162694 
1 1 1   14    2  -20 o  203.038   1.9939  5539.45  108.733  5519.60  153.393  5559.50  154.154  202.615   2.8186  203.346   2.8225 -0.7308044 3.988863 
1 1 1   14    2  -19 f  197.016   1.9402  5215.40  102.671  5182.81  144.647  5248.49  145.757  196.349   2.7428  197.589   2.7465 -1.239914 3.881480 
1 1 1   14    2  -18 o   97.866   1.5831  1286.68   41.614  1307.38   59.163  1266.41   58.544   98.635   2.2332   97.077   2.2453 1.558258 3.166805 
1 1 1   14    2  -17 o  238.213   2.3079  7625.65  147.662  7626.09  208.775  7625.21  208.876  238.142   3.2640  238.128   3.2658 0.1390076E-01 4.617240 
1 1 1   14    2  -16 o  140.108   1.4465  2636.91   54.435  2603.05   76.289  2672.02   77.697  139.189   2.0406  141.020   2.0513 -1.831604 2.893455 
1 1 1   14    2  -15 f  264.686   2.5448  9415.52  180.918  9392.34  255.409  9438.86  256.305  264.262   3.5984  264.915   3.6021 -0.6531677 5.091536 
1 1 1   14    2  -14 o   55.285   0.8691  410.503   12.906  404.565   18.128  416.605   18.378   54.882   1.2298   55.692   1.2286 -0.8106346 1.738372 
1 1 1   14    2  -13 o  114.834   1.4310  1771.32   44.137  1755.33   62.108  1787.63   62.736  114.301   2.0230  115.348   2.0250 -1.046875 2.862362 
1 1 1   14    2  -12 f  238.432   2.3060  7639.03  147.679  7503.33  206.569  7780.88  211.207  236.237   3.2555  240.566   3.2688 -4.328354 4.613384 
1 1 1   14    2  -11 o   98.216   1.1762  1295.66   31.029  1274.88   36.351  1351.45   59.567   97.423   1.3892  100.290   2.2113 -2.867378 2.611493 
1 1 1   14    2  -10 o  137.525   1.5041  2540.52   55.557  2521.58   73.104  2566.42   85.477  137.000   1.9867  138.204   2.3027 -1.203308 3.041271 
1 1 1   14    2   -9 o  434.685   3.6737 25409.38  428.917 25772.17  684.399 25174.72  550.419  437.335   5.8264  432.482   4.7384 4.852875 7.510002 
1 1 1   14    2   -8 o  199.107   1.5892  5325.25   84.986  5394.86  121.110  5257.72  119.289  200.380   2.2503  197.817   2.2451 2.562988 3.178740 
1 1 1   14    2   -7 o   39.104   0.8601  205.373   9.0336  205.314   12.462  205.437   13.114   39.098   1.1867   39.109   1.2484 -0.1144028E-01 1.722445 
1 1 1   14    2   -6 o   98.338   0.9801  1298.79   25.888  1257.44   36.008  1343.04   37.246   96.756   1.3856   99.995   1.3868 -3.239037 1.960352 
1 1 1   14    2   -5 o  131.874   1.1112  2335.74   39.358  2321.91   55.489  2349.74   55.835  131.476   1.5713  132.261   1.5717 -0.7854004 2.222484 
1 1 1   14    2   -4 o  244.808   2.0109  8051.15  132.225  7995.49  178.271  8119.21  197.138  243.927   2.7210  245.791   2.9862 -1.864655 4.039926 
1 1 1   14    2   -3 o  274.183   2.1430 10099.57  157.821 10022.52  222.101 10178.14  224.300  273.085   3.0280  275.197   3.0345 -2.111481 4.286891 
1 1 1   14    2   -2 o  143.786   1.3794  2776.89   53.272  2779.26   71.604  2773.96   79.723  143.839   1.8534  143.697   2.0656 0.1418762 2.775226 
1 1 1   14    2   -1 o   59.065   0.8365  468.538   13.271  458.266   16.654  486.406   21.965   58.413   1.0615   60.178   1.3590 -1.765030 1.724405 
1 1 1   14    2    0 o  283.575   2.2128 10803.43  168.539 10693.81  236.792 10915.98  239.941  282.080   3.1254  284.994   3.1346 -2.914520 4.426446 
1 1 1   14    2    1 o  323.802   2.5147 14087.48  218.702 14179.11  310.670 13997.45  307.932  324.774   3.5614  322.687   3.5529 2.086487 5.030591 
1 1 1   14    2    2 o  218.737   1.7326  6426.98  101.794  6338.69  142.814  6518.16  145.130  217.204   2.4480  220.257   2.4532 -3.053101 3.465680 
1 1 1   14    2    3 o   64.239   1.0035  554.239   17.314  576.100   42.804  549.962   18.932   65.481   2.4338   63.990   1.1015 1.490662 2.671429 
1 1 1   14    2    4 o  210.698   1.8330  5963.52  103.731  5942.10  146.391  5985.12  147.006  210.290   2.5918  211.050   2.5933 -0.7597351 3.666458 
1 1 1   14    2    5 o  255.029   2.0013  8737.54  137.083  8735.76  193.829  8739.32  193.900  254.960   2.8304  255.012   2.8309 -0.5184937E-01 4.003180 
1 1 1   14    2    6 o   75.953   1.0908  774.817   22.254  731.277   37.658  798.180   27.586   73.780   1.9003   77.088   1.3323 -3.307335 2.320831 
1 1 1   14    2    7 o   21.678   0.8677   63.114   5.0521   67.855   6.7050   56.887   7.6841   22.477   1.1106   20.532   1.4018 1.945118 1.788431 
1 1 1   14    2    8 o  145.635   1.2628  2848.78   49.398  2880.19   73.811  2823.29   66.480  146.422   1.8768  144.973   1.7073 1.449295 2.537205 
1 1 1   14    2    9 o  124.282   1.2243  2074.64   40.869  2093.76   55.113  2051.28   60.915  124.846   1.6436  123.569   1.8354 1.276978 2.463722 
1 1 1   14    2   10 o  267.685   2.0960  9627.16  150.701  9647.88  213.400  9606.54  212.848  267.915   2.9655  267.341   2.9642 0.5745544 4.192991 
1 1 1   14    2   11 o  171.762   1.5256  3963.00   70.381  4019.12  100.474  3908.94   98.618  172.953   2.1629  170.566   2.1527 2.386826 3.051551 
1 1 1   14    2   12 f  115.668   1.0071  1796.95   31.288  1810.72   44.399  1783.36   44.099  116.104   1.4238  115.224   1.4249 0.8805008 2.014334 
1 1 1   14    2   13 o  157.628   1.3515  3337.46   57.217  3357.03   85.114  3321.33   77.287  158.071   2.0047  157.234   1.8301 0.8370972 2.714427 
1 1 1   14    2   14 o   88.725   1.0353  1057.31   24.671  1068.49   31.257  1038.83   40.178   89.190   1.3048   87.937   1.7011 1.252701 2.143872 
1 1 1   14    2   15 f  147.823   1.2818  2935.14   50.893  2945.66   75.617  2926.44   68.811  148.071   1.9013  147.592   1.7358 0.4787903 2.574502 
1 1 1   14    2   16 o  234.268   1.8509  7373.31  116.460  7416.50  165.179  7330.63  164.224  234.906   2.6180  233.542   2.6181 1.363876 3.702457 
1 1 1   14    2   17 o  111.440   0.9852  1668.00   29.488  1673.61   41.744  1662.41   41.660  111.621   1.3924  111.246   1.3942 0.3743210 1.970446 
1 1 1   14    2   18 o   31.199   0.7465  130.732   6.2554  131.244   8.7552  130.198   8.9407   31.259   1.0428   31.134   1.0692 0.1249313 1.493481 
1 1 1   14    2   19 f  231.328   2.0032  7190.44  124.462  7205.49  176.246  7175.46  175.785  231.506   2.8344  231.024   2.8329 0.4828796 4.007420 
1 1 1   14    2   20 o   84.716   1.0784  963.982   24.539  935.507   37.077  986.176   32.733   83.446   1.6543   85.681   1.4224 -2.234489 2.181682 
1 1 1   14    2   21 o  227.930   1.9792  6981.25  121.164  6994.71  191.783  6972.30  156.311  228.043   3.1311  227.737   2.5554 0.3066864 4.041560 
1 1 1   14    2   22 o  131.930   1.1745  2338.04   41.620  2333.47   61.586  2341.89   56.466  131.782   1.7399  132.025   1.5923 -0.2431793 2.358588 
1 1 1   14    2   23 f  131.836   1.2299  2334.82   43.549  2325.52   68.384  2341.16   56.483  131.545   1.9355  132.002   1.5931 -0.4568329 2.506813 
1 1 1   14    2   24 o   62.538   0.9622  525.329   16.163  525.668   25.093  525.089   21.129   62.549   1.4936   62.519   1.2583 0.3018188E-01 1.953009 
1 1 1   14    2   25 o   84.604   0.9236  961.461   20.988  952.606   29.484  970.556   29.882   84.205   1.3036   84.995   1.3090 -0.7894974 1.847399 
1 1 1   14    2   26 o  173.334   1.4142  4037.01   65.841  4046.72   93.206  4027.35   93.021  173.495   2.0001  173.080   2.0010 0.4158325 2.829228 
1 1 1   14    2   27 o   41.579   0.7764  232.218   8.6708  228.840   12.774  235.104   11.808   41.271   1.1523   41.834   1.0509 -0.5624657 1.559558 
1 1 1   14    2   28 o   36.471   0.9163  178.686   8.9758  177.891   11.654  179.844   14.073   36.386   1.1924   36.581   1.4323 -0.1951180 1.863713 
1 1 1   14    2   29 o   73.413   0.9204  724.035   18.148  756.879   22.401  661.311   30.957   75.054   1.1112   70.135   1.6434 4.918854 1.983804 
1 1 1   14    2   30 o   70.495   0.8552  667.611   16.192  668.013   20.998  667.021   25.433   70.508   1.1088   70.446   1.3442 0.6169128E-01 1.742460 
1 1 1   14    2   31 o   88.351   0.8681  1048.71   20.600  1039.15   28.902  1058.59   29.370   87.931   1.2238   88.749   1.2321 -0.8179321 1.736563 
1 1 1   14    2   32 o   21.749   1.0262   63.564   5.9949   63.455   8.4862   63.672   8.4701   21.674   1.4664   21.712   1.4609 -0.3765869E-01 2.069912 
1 1 1   14    2   33 o   66.448   0.7789  593.187   13.902  583.359   19.430  603.497   19.900   65.883   1.0980   67.010   1.1056 -1.127151 1.558231 
1 1 1   14    2   34 f   70.785   0.8303  673.214   15.786  697.326   21.566  645.383   23.169   72.028   1.1147   69.287   1.2450 2.741806 1.671133 
1 1 1   14    2   35 o   55.889   0.7985  419.676   11.987  418.093   17.895  420.964   16.143   55.767   1.1947   55.964   1.0740 -0.1967964 1.606498 
1 1 1   14    2   36 o  139.951   1.2483  2633.71   46.924  2591.77   69.021  2669.75   63.985  138.726   1.8524  140.830   1.6916 -2.104279 2.508545 
1 1 1   14    2   37 o   42.663   0.8123  244.589   9.3079  246.402   13.755  243.058   12.642   42.806   1.1964   42.519   1.1070 0.2873802 1.629952 
1 1 1   14    2   38 o   24.334   0.9765   79.600   6.3826   79.280   9.0382   79.919   9.0144   24.232   1.3945   24.331   1.3851 -0.9872627E-01 1.965527 
1 1 1   14    2   39 o   36.604   0.8208  180.084   8.0697  180.124   11.380  180.043   11.445   36.594   1.1578   36.585   1.1647 0.8613586E-02 1.642280 
1 1 1   14    2   40 o   49.859   1.0275  334.325   13.760  353.889   22.207  322.133   17.530   51.243   1.6135   48.917   1.3342 2.325909 2.093683 
1 1 1   14    2   41 o   25.542   0.9938   87.742   6.8180   88.696   9.7714   86.837   9.5179   25.621   1.4256   25.352   1.4032 0.2681980 2.000343 
1 1 1   14    2   42 o   38.124   0.8169  195.403   8.3652  192.404   11.662  198.582   12.005   37.810   1.1484   38.411   1.1637 -0.6010628 1.634902 
1 1 1   14    2   43 o   70.585   0.8934  670.038   16.938  661.413   23.810  678.875   24.100   70.081   1.2649   71.000   1.2638 -0.9192810 1.788055 
1 1 1   14    2   44 o   74.443   0.8957  745.352   17.910  737.849   23.831  755.090   27.150   74.024   1.1986   74.857   1.3504 -0.8329773 1.805577 
1 1 1   14    2   45 o   78.303   1.0688  825.300   22.479  828.730   28.577  819.732   36.408   78.411   1.3569   77.892   1.7402 0.5187988 2.206715 
1 1 1   14    2   46 o   62.118   0.8600  519.031   14.349  526.411   19.690  510.674   20.953   62.515   1.1726   61.558   1.2673 0.9568825 1.726579 
1 1 1   14    2   47 o   73.366   0.9046  724.275   17.826  721.139   26.642  726.816   23.985   73.118   1.3566   73.437   1.2160 -0.3188553 1.821832 
1 1 1   14    2   48 o   37.443   0.9042  188.681   9.0935  199.292   12.976  178.440   12.748   38.442   1.2567   36.370   1.3049 2.072544 1.811672 
1 1 1   14    2   49 o   18.235   1.4915   45.233   7.2410   33.039   10.225   57.500   10.256   15.345   2.5718   20.505   1.8832 -5.160181 3.187566 
1 1 1   14    2   50 o   35.048   0.9677  165.425   9.1100  171.244   13.355  160.361   12.459   35.606   1.3964   34.463   1.3459 1.142960 1.939484 
1 1 1   14    2   51 o   34.241   1.0039  157.941   9.2326  156.968   13.149  158.888   12.966   34.081   1.4365   34.293   1.4077 -0.2120247 2.011248 
1 1 1   14    2   52 o   37.847   1.0026  192.958   10.192  184.170   15.550  199.575   13.494   36.892   1.5693   38.449   1.3067 -1.556343 2.042083 
1 1 1   14    2   53 o   38.525   1.1612  200.193   12.016  208.673   15.787  188.516   18.525   39.276   1.4965   37.260   1.8511 2.016361 2.380369 
1 1 1   14    2   54 o   29.718   1.1207  119.133   8.9452  130.567   12.543  107.298   12.761   31.055   1.5037   28.071   1.7005 2.984076 2.269998 
1 1 1   14    2   55 o   40.405   1.0948  220.320   11.881  213.700   17.232  226.318   16.402   39.679   1.6169   40.865   1.4944 -1.186234 2.201713 
1 1 1   14    2   56 o   26.277   1.4100   93.885   9.9149  101.887   13.588   84.772   14.500   27.254   1.8675   24.743   2.2049 2.510508 2.889511 
1 1 1   14    2   57 o   32.944   1.2498  147.053   11.059  168.869   15.934  126.782   15.360   35.175   1.6866   30.360   1.8931 4.815042 2.535411 
1 1 1   14    2   58 o   5.6140   2.5892  -6.3215   9.0805 -26.1189   13.823   8.7056   12.043   5.5112   2.7065   9.0294   3.4921 -3.518147 4.418108 
1 1 1   14    2   59 o   29.386   1.4321  117.832   11.303  108.247   14.956  130.598   17.260   27.887   2.0102   30.588   2.1138 -2.701057 2.917032 
1 1 1   14    2   60 o   17.792   2.1978   44.945   10.279   21.143   16.020   61.603   13.402   11.849   4.1156   20.738   2.4536 -8.889536 4.791468 
1 1 1   14    3  -59 o   28.232   4.0113  122.900   29.562   0.0000   0.0000  122.900   29.562  ?   ?    28.232   4.0113 0.000000 4.011316 
1 1 1   14    3  -58 o   8.5385   3.8227  -3.9618   18.049 -13.4900   24.252   7.8680   27.023   9.0344   4.1894   11.454   4.9104 -2.419455 6.454664 
1 1 1   14    3  -57 o   18.701   2.3107   49.177   11.360   44.830   16.176   53.409   15.958   17.323   3.5943   19.123   3.2213 -1.800524 4.826601 
1 1 1   14    3  -56 o   23.265   1.7829   74.320   11.056   75.156   17.872   73.801   14.072   22.967   2.9666   23.016   2.3074 -0.4926682E-01 3.758285 
1 1 1   14    3  -55 o   18.523   1.5516   46.887   7.6484   44.341   10.370   49.923   11.326   17.851   2.2101   18.939   2.2719 -1.087431 3.169551 
1 1 1   14    3  -54 o   31.981   1.0152  137.897   8.7200  141.821   12.322  133.960   12.342   32.373   1.4171   31.455   1.4608 0.9175720 2.035264 
1 1 1   14    3  -53 o   10.281   2.4262   15.045   6.5915   17.582   9.5003   12.691   9.1530   11.093   3.0795   9.6578   3.1072 1.435219 4.374667 
1 1 1   14    3  -52 o   16.813   1.8523   38.826   8.2259   43.444   11.799   34.458   11.474   17.630   2.5671   15.592   2.8446 2.037169 3.831711 
1 1 1   14    3  -51 o   49.882   1.0230  335.245   13.706  327.727   17.775  346.271   21.527   49.262   1.3434   50.582   1.5845 -1.319519 2.077361 
1 1 1   14    3  -50 o   20.794   1.2322   58.538   6.8513   68.335   9.8562   49.379   9.5304   22.405   1.6494   18.980   1.8948 3.425138 2.512140 
1 1 1   14    3  -49 o   24.959   1.2047   84.021   8.0762   87.823   11.555   80.389   11.292   25.408   1.7031   24.297   1.7419 1.111397 2.436146 
1 1 1   14    3  -48 o   5.0779   2.2139  -1.0349   5.6785  -2.1523   8.0774   0.0570   7.9847   5.9193   2.6087   6.2869   2.6815 -0.3675895 3.741130 
1 1 1   14    3  -47 f   24.406   1.0471   80.220   6.8639   74.944   9.6448   85.634   9.7706   23.503   1.5363   25.143   1.4530 -1.639654 2.114572 
1 1 1   14    3  -46 o   41.728   0.8287  234.210   9.2875  235.121   13.078  233.283   13.191   41.777   1.1655   41.611   1.1803 0.1651955 1.658775 
1 1 1   14    3  -45 o   49.072   0.8979  323.943   11.835  331.517   14.997  311.440   19.269   49.618   1.1253   48.044   1.4933 1.574669 1.869790 
1 1 1   14    3  -44 o   41.161   0.8666  227.858   9.5805  219.621   12.623  239.048   14.713   40.386   1.1637   42.121   1.3005 -1.734467 1.745168 
1 1 1   14    3  -43 o   15.697   1.4351   33.491   5.9836   33.035   9.2263   33.822   7.8610   15.447   2.2934   15.705   1.9024 -0.2584515 2.979752 
1 1 1   14    3  -42 o   49.594   0.8293  330.703   11.047  321.426   17.103  337.342   14.470   48.851   1.3035   50.069   1.0760 -1.218273 1.690222 
1 1 1   14    3  -41 o   59.512   0.9148  476.267   14.623  475.661   22.222  476.731   19.420   59.421   1.3923   59.510   1.2149 -0.8890152E-01 1.847890 
1 1 1   14    3  -40 o   47.563   0.8616  304.141   11.007  305.503   13.627  301.584   18.669   47.656   1.0646   47.314   1.4690 0.3421822 1.814240 
1 1 1   14    3  -39 o   50.480   0.7534  342.477   10.215  346.009   14.456  338.955   14.436   50.722   1.0611   50.201   1.0706 0.5203247 1.507405 
1 1 1   14    3  -38 o   53.134   0.7433  379.391   10.608  367.907   14.739  391.732   15.280   52.307   1.0491   53.974   1.0540 -1.666756 1.487116 
1 1 1   14    3  -37 o   61.937   1.0773  515.792   17.922  528.237   27.720  506.854   23.493   62.631   1.6478   61.372   1.4252 1.259720 2.178672 
1 1 1   14    3  -36 o   45.127   0.9923  273.721   12.027  274.705   15.337  272.149   19.383   45.195   1.2635   44.965   1.6049 0.2303238 2.042559 
1 1 1   14    3  -35 o   13.599   1.3801   25.130   4.9712   16.563   6.2695   39.637   8.1585   10.888   2.2191   17.063   1.8077 -6.174582 2.862257 
1 1 1   14    3  -34 o   64.596   0.8483  560.666   14.718  554.929   18.394  570.877   24.538   64.255   1.0658   65.152   1.4022 -0.8970871 1.761290 
1 1 1   14    3  -33 f   84.297   0.8784  954.788   19.888  947.924   26.816  963.178   29.650   83.975   1.1889   84.640   1.3042 -0.6647949 1.764792 
1 1 1   14    3  -32 o   63.990   0.8064  550.127   13.860  533.738   21.389  561.989   18.197   63.011   1.2638   64.667   1.0477 -1.656189 1.641578 
1 1 1   14    3  -31 o  113.390   1.0083  1727.67   30.707  1727.07   43.332  1728.27   43.521  113.338   1.4235  113.376   1.4292 -0.3854370E-01 2.017108 
1 1 1   14    3  -30 o   36.946   0.6974  183.356   6.9203  175.370   9.5813  192.065   10.006   36.128   0.9874   37.808   0.9853 -1.680584 1.394940 
1 1 1   14    3  -29 o   81.518   0.8910  892.730   19.509  902.906   30.442  885.638   25.413   81.960   1.3829   81.183   1.1655 0.7773819 1.808495 
1 1 1   14    3  -28 o  201.029   2.1126  5436.86  114.067  5332.29  211.655  5479.67  135.416  198.642   3.9670  201.747   2.4990 -3.105133 4.688541 
1 1 1   14    3  -27 o  108.516   1.1932  1582.22   34.779  1600.79   50.274  1565.18   48.163  109.123   1.7153  107.905   1.6618 1.217392 2.388255 
1 1 1   14    3  -26 o  170.874   1.7188  3924.67   78.886  3894.61  110.985  3955.36  112.148  170.143   2.4286  171.463   2.4352 -1.320923 3.439214 
1 1 1   14    3  -25 o  148.590   1.5286  2966.98   61.008  2880.36   84.826  3059.79   87.808  146.360   2.1578  150.849   2.1672 -4.489090 3.058254 
1 1 1   14    3  -24 o   8.1150   2.6490   8.5043   6.6384   7.8132   9.3798   9.1978   9.3964   8.5398   3.1284   8.8930   3.1472 -0.3532124 4.437598 
1 1 1   14    3  -23 o  200.836   1.9781  5421.37  106.703  5445.89  151.244  5397.08  150.561  201.205   2.7986  200.301   2.7986 0.9037933 3.957828 
1 1 1   14    3  -22 f  137.594   1.4345  2543.53   53.013  2535.85   74.765  2551.29   75.181  137.359   2.0265  137.777   2.0316 -0.4172211 2.869519 
1 1 1   14    3  -21 o  138.592   1.4406  2580.46   53.625  2563.26   75.567  2597.90   76.111  138.104   2.0372  139.034   2.0381 -0.9299622 2.881700 
1 1 1   14    3  -20 o  180.010   1.7919  4353.95   86.639  4355.85  122.542  4352.04  122.510  180.003   2.5346  179.924   2.5351 0.7879639E-01 3.584806 
1 1 1   14    3  -19 o  241.876   2.3419  7863.30  152.141  8085.45  218.856  7655.55  211.645  245.167   3.3236  238.562   3.3030 6.604263 4.685749 
1 1 1   14    3  -18 o   28.003   1.0581  105.330   7.9585  100.249   11.078  110.748   11.440   27.275   1.5182   28.674   1.4906 -1.398527 2.127681 
1 1 1   14    3  -17 o   42.362   1.2983  241.053   14.772  230.552   20.857  251.623   20.926   41.424   1.8746   43.276   1.8003 -1.852383 2.599048 
1 1 1   14    3  -16 o  277.819   3.3748 10380.33  251.825 10405.86  325.586 10342.32  397.291  278.026   4.3600  277.010   5.3398 1.016388 6.893666 
1 1 1   14    3  -15 o   84.433   1.0211  957.514   23.156  984.454   33.102  931.700   32.403   85.608   1.4396   83.282   1.4486 2.325455 2.042291 
1 1 1   14    3  -14 o  108.124   1.1871  1570.29   34.475  1611.93   49.329  1530.53   48.199  109.539   1.6766  106.738   1.6812 2.801491 2.374393 
1 1 1   14    3  -13 f  224.735   2.1832  6786.41  131.783  6614.86  183.362  6969.70  189.531  221.816   3.0777  227.686   3.0992 -5.870041 4.367749 
1 1 1   14    3  -12 o   92.241   1.1388  1142.81   28.213  1173.44   37.867  1104.60   42.300   93.464   1.5084   90.677   1.7368 2.786407 2.300400 
1 1 1   14    3  -11 o  215.704   1.7888  6250.74  103.634  6296.99  140.906  6196.24  152.955  216.468   2.4235  214.716   2.6522 1.752502 3.592712 
1 1 1   14    3  -10 o  154.805   1.3911  3219.04   57.840  3217.10   74.718  3221.94   91.365  154.748   1.7977  154.850   2.1967 -0.1027374 2.838524 
1 1 1   14    3   -9 o  272.371   2.4604  9969.34  179.997  9811.54  239.142 10175.57  273.391  270.137   3.2959  275.061   3.7005 -4.923859 4.955513 
1 1 1   14    3   -8 o  167.937   1.5759  3788.45   71.084  3888.44  124.995  3740.66   86.419  170.096   2.7359  166.864   1.9282 3.232468 3.347146 
1 1 1   14    3   -7 o   42.795   0.7485  245.967   8.6032  243.740   15.033  247.051   10.491   42.599   1.3139   42.889   0.9107 -0.2902145 1.598679 
1 1 1   14    3   -6 o  133.512   1.2972  2394.29   46.518  2328.47   79.268  2428.86   57.452  131.642   2.2419  134.467   1.5907 -2.824707 2.748895 
1 1 1   14    3   -5 f   19.980   0.8695   53.615   4.6662   48.704   7.2887   57.025   6.0741   18.987   1.4399   20.576   1.1031 -1.588411 1.813909 
1 1 1   14    3   -4 o   70.525   0.8122  667.997   15.385  663.362   21.826  672.576   21.691   70.277   1.1563   70.764   1.1413 -0.4864960 1.624634 
1 1 1   14    3   -3 o   88.812   0.9189  1059.36   21.919  1055.81   30.962  1062.92   31.034   88.660   1.3002   88.958   1.2989 -0.2977219 1.837814 
1 1 1   14    3   -2 f  141.892   1.1820  2704.19   45.047  2721.89   70.060  2691.72   58.817  142.343   1.8325  141.558   1.5469 0.7847900 2.398132 
1 1 1   14    3   -1 o  148.991   1.2310  2981.54   49.260  3033.06   77.063  2945.95   64.056  150.257   1.9095  148.091   1.6104 2.166122 2.497917 
1 1 1   14    3    0 o  163.611   1.3342  3595.51   58.630  3632.10   91.373  3569.91   76.442  164.423   2.0690  163.018   1.7458 1.404556 2.707175 
1 1 1   14    3    1 o   31.842   0.8542  136.177   7.3057  140.811   11.642  133.166   9.3836   32.378   1.3386   31.488   1.1095 0.8904533 1.738679 
1 1 1   14    3    2 f  114.198   1.0390  1751.56   31.868  1759.96   47.430  1744.65   43.027  114.465   1.5427  113.968   1.4056 0.4966736 2.087059 
1 1 1   14    3    3 o  157.127   1.4113  3316.25   59.563  3324.92   94.353  3310.51   76.800  157.310   2.2331  156.981   1.8215 0.3289032 2.881737 
1 1 1   14    3    4 o  201.340   1.9677  5446.07  106.411  5287.02  147.798  5617.25  153.330  198.341   2.7744  204.441   2.7923 -6.099350 3.936273 
1 1 1   14    3    5 f  215.613   1.9760  6245.64  114.433  6470.94  175.687  6079.62  150.812  219.413   2.9812  212.695   2.6399 6.717636 3.981994 
1 1 1   14    3    6 o  288.178   2.4637 11159.61  190.696 11139.65  269.357 11179.67  270.014  287.832   3.4841  288.348   3.4864 -0.5163269 4.928919 
1 1 1   14    3    7 o   57.955   0.9084  451.099   14.140  447.921   22.011  453.332   18.451   57.747   1.4191   58.096   1.1824 -0.3494339 1.847160 
1 1 1   14    3    8 o  353.446   3.3544 16795.49  318.441 17011.22  454.057 16586.66  446.718  355.508   4.7552  351.047   4.7378 4.461487 6.712582 
1 1 1   14    3    9 o  160.213   1.3117  3447.78   56.443  3393.96   79.084  3503.66   80.583  158.943   1.8525  161.491   1.8578 -2.547928 2.623565 
1 1 1   14    3   10 o   90.169   0.8836  1091.98   21.400  1124.33   32.095  1066.08   28.715   91.490   1.3061   89.090   1.2000 2.400063 1.773685 
1 1 1   14    3   11 o  184.639   1.4867  4579.46   73.729  4574.48  104.155  4584.46  104.382  184.516   2.1016  184.717   2.1039 -0.2011719 2.973765 
1 1 1   14    3   12 o  143.855   1.1982  2779.59   46.296  2842.66   66.294  2719.55   64.681  145.466   1.6968  142.281   1.6925 3.184631 2.396601 
1 1 1   14    3   13 f  192.532   1.6917  4979.77   87.484  4972.66  123.594  4986.90  123.848  192.363   2.3921  192.638   2.3936 -0.2751160 3.384030 
1 1 1   14    3   14 o  125.310   1.1207  2109.09   37.719  2148.38   56.463  2077.42   50.689  126.460   1.6623  124.357   1.5176 2.102577 2.250848 
1 1 1   14    3   15 o  117.721   1.1228  1861.39   35.502  1802.20   44.985  1959.12   57.806  115.828   1.4460  120.758   1.7822 -4.929459 2.295054 
1 1 1   14    3   16 o  160.376   1.5203  3455.18   65.489  3417.59   97.626  3485.93   88.305  159.473   2.2792  161.070   2.0412 -1.597046 3.059620 
1 1 1   14    3   17 o   43.340   0.8755  252.277   10.191  256.305   15.151  248.949   13.773   43.682   1.2914   43.051   1.1911 0.6306076 1.756789 
1 1 1   14    3   18 o   48.556   0.7985  316.655   10.414  329.977   17.890  309.826   12.808   49.563   1.3439   48.028   0.9928 1.534420 1.670844 
1 1 1   14    3   19 o  168.480   1.5843  3813.50   71.693  3862.69  108.316  3775.15   95.642  169.523   2.3789  167.606   2.1245 1.917725 3.189473 
1 1 1   14    3   20 o  162.083   1.3312  3529.10   57.951  3530.13   81.942  3528.06   81.968  162.084   1.8822  162.036   1.8834 0.4766846E-01 2.662709 
1 1 1   14    3   21 o   73.754   1.0397  730.652   20.595  729.151   31.442  731.779   27.257   73.668   1.5890   73.805   1.3750 -0.1367798 2.101327 
1 1 1   14    3   22 f  219.151   1.7428  6453.67  102.582  6498.08  145.658  6409.96  144.495  219.839   2.4668  218.344   2.4639 1.495377 3.486531 
1 1 1   14    3   23 o  110.760   0.9901  1647.84   29.456  1648.02   41.588  1647.67   41.727  110.754   1.3980  110.742   1.4028 0.1219177E-01 1.980515 
1 1 1   14    3   24 o   25.589   0.8687   87.951   5.9702   82.435   8.2798   93.925   8.6166   24.739   1.2501   26.441   1.2133 -1.701967 1.742079 
1 1 1   14    3   25 o  170.377   1.3930  3900.42   63.745  3825.73   89.074  3978.82   91.265  168.695   1.9659  172.036   1.9751 -3.341293 2.786713 
1 1 1   14    3   26 o   53.568   0.8704  385.450   12.523  393.032   16.607  375.456   19.067   54.087   1.1432   52.860   1.3429 1.227142 1.763598 
1 1 1   14    3   27 o  135.088   1.4121  2452.44   51.237  2469.34   64.917  2424.52   83.441  135.525   1.7834  134.239   2.3142 1.286041 2.921665 
1 1 1   14    3   28 o  119.226   1.0947  1909.90   35.056  1885.94   47.059  1939.78   52.545  118.452   1.4791  120.120   1.6286 -1.667709 2.200077 
1 1 1   14    3   29 o   86.532   0.9381  1005.97   21.802  1057.86   31.221  956.586   30.459   88.718   1.3102   84.363   1.3442 4.355186 1.877122 
1 1 1   14    3   30 o   36.161   0.8479  175.675   8.2354  187.504   10.591  157.588   13.097   37.355   1.0556   34.238   1.4242 3.117344 1.772736 
1 1 1   14    3   31 o   25.364   0.9054   86.434   6.1680   89.573   8.4083   82.778   9.0755   25.815   1.2127   24.776   1.3691 1.039173 1.828923 
1 1 1   14    3   32 o   69.455   0.8815  648.149   16.445  670.129   24.669  630.568   22.062   70.602   1.3009   68.492   1.1992 2.110268 1.769302 
1 1 1   14    3   33 f  158.867   1.3194  3393.41   56.298  3400.22   79.651  3386.61   79.583  158.933   1.8659  158.614   1.8680 0.3188782 2.640294 
1 1 1   14    3   34 o   47.855   0.7524  307.683   9.6712  313.810   13.651  301.508   13.703   48.320   1.0518   47.362   1.0772 0.9575577 1.505571 
1 1 1   14    3   35 o   79.639   0.8364  852.234   17.892  855.382   25.288  849.079   25.318   79.764   1.1804   79.469   1.1861 0.2948837 1.673367 
1 1 1   14    3   36 o   41.282   0.8194  229.008   9.0857  221.648   13.629  234.897   12.190   40.597   1.2499   41.800   1.0857 -1.202919 1.655589 
1 1 1   14    3   37 o   20.638   1.1199   57.443   6.1846   62.751   9.2274   53.113   8.3335   21.529   1.6074   19.800   1.5802 1.729061 2.254035 
1 1 1   14    3   38 o   56.810   0.9196  433.849   14.031  446.334   21.310  424.294   18.643   57.587   1.3778   56.159   1.2359 1.427841 1.850885 
1 1 1   14    3   39 o   51.402   0.8928  355.206   12.326  384.486   18.358  331.173   16.632   53.450   1.2788   49.608   1.2483 3.841316 1.787019 
1 1 1   14    3   40 o   24.994   0.9646   84.012   6.4757   84.961   9.0837   83.032   9.2343   25.082   1.3534   24.791   1.3924 0.2913036 1.941774 
1 1 1   14    3   41 o   17.962   1.2667   43.653   6.0719   41.335   8.4985   46.069   8.6782   17.400   1.8467   18.390   1.7792 -0.9898796 2.564305 
1 1 1   14    3   42 o   54.637   0.8476  401.399   12.438  390.683   17.276  412.931   17.921   53.870   1.1940   55.381   1.2048 -1.511311 1.696227 
1 1 1   14    3   43 o   70.157   0.8780  661.944   16.544  667.850   22.164  654.513   24.862   70.431   1.1716   69.699   1.3281 0.7316742 1.771018 
1 1 1   14    3   44 o   35.337   0.9073  167.963   8.6113  167.119   10.501  169.696   15.046   35.234   1.1097   35.461   1.5797 -0.2269440 1.930517 
1 1 1   14    3   45 o   78.064   0.8531  819.665   17.888  818.821   23.415  820.847   27.720   77.981   1.1179   78.037   1.3225 -0.5532074E-01 1.731735 
1 1 1   14    3   46 o   9.8325   2.4178   13.675   6.3408   11.518   8.1316   17.022   10.128   9.2332   2.9243   11.018   3.2199 -1.784963 4.349629 
1 1 1   14    3   47 f   16.744   1.4768   38.150   6.5735   37.958   9.2830   38.344   9.3098   16.584   2.1335   16.671   2.1277 -0.8661079E-01 3.013079 
1 1 1   14    3   48 o   22.081   1.5179   66.202   8.9473   81.093   14.190   56.374   11.528   24.315   2.1964   20.249   2.1526 4.066719 3.075388 
1 1 1   14    3   49 o   32.014   1.0276  138.066   8.8361  141.747   12.267  134.096   12.738   32.393   1.4100   31.494   1.5059 0.8992500 2.062921 
1 1 1   14    3   50 o   30.648   1.0094  126.540   8.3092  124.668   12.429  128.052   11.173   30.322   1.5311   30.793   1.3509 -0.4712505 2.041864 
1 1 1   14    3   51 o   44.539   0.8911  267.062   10.660  260.751   17.028  271.129   13.670   43.922   1.4434   44.843   1.1350 -0.9204941 1.836186 
1 1 1   14    3   52 o   44.886   1.0000  271.440   12.057  272.779   16.851  270.036   17.257   44.929   1.3964   44.695   1.4376 0.2347260 2.004126 
1 1 1   14    3   53 o   44.146   0.9408  262.523   11.156  251.416   15.944  273.175   15.614   43.128   1.3764   44.973   1.2926 -1.844685 1.888229 
1 1 1   14    3   54 o   28.264   1.2215  107.895   9.2733  102.328   12.233  115.415   14.219   27.409   1.6696   29.075   1.8301 -1.666019 2.477310 
1 1 1   14    3   55 o   53.935   1.0041  392.409   14.546  389.181   20.451  395.715   20.694   53.593   1.4207   54.039   1.4258 -0.4462967 2.012793 
1 1 1   14    3   56 o   29.947   1.2710  121.468   10.223  132.165   14.316  110.335   14.605   31.083   1.7215   28.324   1.9313 2.759470 2.587121 
1 1 1   14    3   57 o   24.790   1.4947   83.964   9.9056   84.824   14.178   83.145   13.845   24.691   2.1596   24.456   2.1290 0.2354984 3.032615 
1 1 1   14    3   58 o   20.607   1.8448   58.866   10.103   63.740   13.264   52.133   15.591   21.245   2.3647   18.811   3.2005 2.433954 3.979323 
1 1 1   14    3   59 o   6.7121   2.9014   0.0978   9.5848   8.6798   17.135  -3.8101   11.563   9.8640   4.0458   6.7605   3.0407 3.103515 5.061060 
1 1 1   14    4  -59 o   12.946   4.7901   25.610   22.078   0.0000   0.0000   25.610   22.078  ?   ?    12.946   4.7901 0.000000 4.790052 
1 1 1   14    4  -58 o   5.2994   2.6698 -51.4523   17.516 -65.8100   24.053 -35.2400   25.559   6.2921   3.1647   7.8807   3.8283 -1.588616 4.967004 
1 1 1   14    4  -57 o   14.259   3.7522   30.967   14.566   10.610   26.186   40.087   17.527   11.700   4.9166   16.109   4.0540 -4.409916 6.372444 
1 1 1   14    4  -56 o   18.007   2.4347   45.756   11.474   43.497   16.319   47.964   16.134   17.067   3.6691   18.036   3.4563 -0.9693050 5.040675 
1 1 1   14    4  -55 o   13.643   2.2752   26.261   8.0432   15.335   11.219   37.815   11.537   10.511   3.4444   16.287   2.7341 -5.775961 4.397641 
1 1 1   14    4  -54 o   17.558   1.6557   42.230   7.7157   35.867   11.679   47.158   10.278   15.859   2.8462   18.456   2.1115 -2.596143 3.543941 
1 1 1   14    4  -53 o   51.593   1.0342  358.872   14.331  346.093   19.624  373.477   20.979   50.573   1.4447   52.523   1.4871 -1.950817 2.073304 
1 1 1   14    4  -52 o   14.924   1.8431   30.693   7.2312   37.089   9.4005   21.424   11.317   16.348   2.1964   12.206   3.3503 4.142236 4.006114 
1 1 1   14    4  -51 o   44.259   0.8937  263.730   10.624  255.826   15.437  270.842   14.643   43.525   1.3205   44.803   1.2169 -1.277740 1.795670 
1 1 1   14    4  -50 o   44.788   0.8520  270.010   10.249  273.938   14.572  266.165   14.418   45.062   1.2040   44.417   1.2086 0.6446915 1.705923 
1 1 1   14    4  -49 o   37.063   0.8727  184.908   8.6875  179.766   12.240  190.128   12.332   36.500   1.2485   37.540   1.2231 -1.040821 1.747799 
1 1 1   14    4  -48 o   20.194   1.3708   55.317   7.3913   49.661   10.501   60.870   10.405   18.998   2.0927   21.105   1.8544 -2.106930 2.796120 
1 1 1   14    4  -47 o   38.253   0.8561  196.907   8.7957  212.494   12.313  180.663   12.570   39.706   1.1545   36.596   1.2788 3.109447 1.722837 
1 1 1   14    4  -46 o   36.678   0.8707  181.003   8.5778  182.434   12.322  179.657   11.948   36.786   1.2471   36.509   1.2185 0.2779045 1.743540 
1 1 1   14    4  -45 o   13.427   1.6432   24.716   5.8024   26.835   8.1077   22.492   8.3078   13.885   2.2510   12.632   2.5367 1.252925 3.391419 
1 1 1   14    4  -44 o   37.024   0.8931  184.396   8.8809  180.221   12.795  188.277   12.336   36.568   1.3027   37.384   1.2286 -0.8156586 1.790675 
1 1 1   14    4  -43 o   17.221   1.2970   40.181   5.9552   32.281   9.0013   46.330   7.9417   15.268   2.2635   18.457   1.6183 -3.189259 2.782542 
1 1 1   14    4  -42 o   18.290   1.3959   45.347   6.8058   42.022   10.780   47.551   8.7759   17.447   2.3610   18.681   1.7701 -1.234194 2.950891 
1 1 1   14    4  -41 o   29.600   0.9647  117.850   7.6697  118.140   11.044  117.579   10.659   29.611   1.3887   29.544   1.3433 0.6717682E-01 1.932053 
1 1 1   14    4  -40 o   70.131   0.8053  661.193   15.170  667.519   21.468  654.885   21.439   70.430   1.1348   69.759   1.1442 0.6709061 1.611564 
1 1 1   14    4  -39 f   56.315   0.8149  426.316   12.326  415.253   16.085  442.054   19.185   55.560   1.0779   57.309   1.2464 -1.748867 1.647813 
1 1 1   14    4  -38 o  100.836   0.9919  1367.23   26.866  1337.78   39.569  1392.42   36.593   99.668   1.4781  101.708   1.3395 -2.040169 1.994762 
1 1 1   14    4  -37 o   91.822   0.9403  1133.42   23.190  1138.40   31.199  1127.26   34.665   91.988   1.2628   91.516   1.4103 0.4714584 1.893002 
1 1 1   14    4  -36 o   83.140   1.0618  929.310   23.711  917.118   32.856  942.560   34.252   82.549   1.4819   83.681   1.5239 -1.131996 2.125633 
1 1 1   14    4  -35 o   77.719   0.8477  811.692   17.695  823.008   24.151  798.577   26.001   78.238   1.1493   77.060   1.2562 1.178688 1.702641 
1 1 1   14    4  -34 o   45.495   0.7168  278.080   8.7586  270.280   12.177  286.441   12.607   44.843   1.0110   46.165   1.0167 -1.321068 1.433842 
1 1 1   14    4  -33 f   45.723   0.7617  280.877   9.3549  278.488   12.175  284.320   14.617   45.521   0.9957   45.989   1.1834 -0.4672928 1.546577 
1 1 1   14    4  -32 f   54.556   0.7143  399.850   10.467  409.992   14.826  389.772   14.779   55.235   0.9994   53.854   1.0217 1.380089 1.429243 
1 1 1   14    4  -31 o   96.346   0.9852  1247.35   25.495  1217.96   39.528  1268.29   33.362   95.162   1.5465   97.131   1.2788 -1.968819 2.006747 
1 1 1   14    4  -30 o  108.103   0.9731  1570.25   28.254  1569.60   39.856  1570.91   40.058  108.051   1.3733  108.096   1.3797 -0.4447937E-01 1.946705 
1 1 1   14    4  -29 o  181.122   1.5385  4410.92   74.843  4398.56  111.026  4421.22  101.326  180.736   2.2871  181.243   2.0815 -0.5062714 3.092472 
1 1 1   14    4  -28 o   43.946   0.8736  259.443   10.311  246.858   22.291  262.869   11.630   42.837   1.9374   44.233   0.9789 -1.395317 2.170661 
1 1 1   14    4  -27 o  149.774   1.4497  3015.09   58.320  3056.27  102.805  2995.56   70.818  150.663   2.5405  149.258   1.7665 1.404831 3.094288 
1 1 1   14    4  -26 f   54.599   1.0679  400.507   15.660  414.351   19.436  374.888   26.440   55.530   1.3031   52.803   1.8643 2.726944 2.274590 
1 1 1   14    4  -25 o   75.313   0.9986  761.972   20.200  764.011   28.468  759.904   28.667   75.403   1.4057   75.199   1.4193 0.2034073 1.997594 
1 1 1   14    4  -24 o   63.991   1.0218  550.072   17.562  557.627   23.166  539.863   26.929   64.422   1.3388   63.382   1.5818 1.040573 2.072345 
1 1 1   14    4  -23 o  182.616   1.8187  4482.19   89.206  4419.07  124.974  4547.75  127.373  181.253   2.5671  183.871   2.5791 -2.618576 3.638934 
1 1 1   14    4  -22 o  107.346   1.1990  1548.01   34.570  1539.21   48.715  1556.94   49.064  107.024   1.6947  107.638   1.6971 -0.6145782 2.398357 
1 1 1   14    4  -21 o  115.469   1.2598  1791.15   39.071  1819.21   55.655  1763.89   54.864  116.352   1.7809  114.569   1.7829 1.782707 2.519992 
1 1 1   14    4  -20 o  225.036   2.1915  6806.90  132.461  6853.37  188.044  6761.12  186.620  225.704   3.1019  224.180   3.0993 1.523849 4.384948 
1 1 1   14    4  -19 o   92.068   1.2478  1138.66   30.856  1209.03   45.101  1076.74   42.307   94.858   1.7702   89.518   1.7596 5.339386 2.495951 
1 1 1   14    4  -18 o   82.694   1.0224  918.503   22.709  906.448   31.934  930.836   32.300   82.143   1.4474   83.240   1.4447 -1.097717 2.045014 
1 1 1   14    4  -17 o   53.140   0.8982  379.280   12.819  383.547   18.040  374.928   18.220   53.435   1.2570   52.831   1.2840 0.6040726 1.796839 
1 1 1   14    4  -16 o  123.967   1.8643  2064.83   62.074  2130.49   89.120  2002.97   86.510  125.892   2.6356  122.066   2.6386 3.825882 3.729461 
1 1 1   14    4  -15 o  172.835   2.4420  4014.83  113.363  4166.95  163.750  3874.82  157.096  176.008   3.4638  169.728   3.4460 6.280319 4.886025 
1 1 1   14    4  -14 o  309.216   3.1573 12856.89  262.226 12665.61  343.544 13123.89  405.891  306.763   4.1695  312.143   4.8413 -5.380646 6.389315 
1 1 1   14    4  -13 o  151.028   1.3699  3063.93   55.571  3087.79   78.899  3040.44   78.284  151.598   1.9377  150.431   1.9375 1.166840 2.740193 
1 1 1   14    4  -12 o  173.665   1.4708  4051.36   68.607  4092.45  102.432  4017.93   92.392  174.516   2.1853  172.929   1.9892 1.587830 2.955051 
1 1 1   14    4  -11 o   56.136   0.7526  423.220   11.348  450.637   16.308  397.480   15.801   57.923   1.0482   54.400   1.0814 3.523689 1.506040 
1 1 1   14    4  -10 o   14.656   0.9138   28.963   3.5792   30.335   6.0699   28.231   4.4317   14.949   1.5335   14.452   1.1513 0.4969873 1.917517 
1 1 1   14    4   -9 o   71.820   0.8538  692.765   16.469  666.160   24.630  714.279   22.149   70.423   1.3021   72.924   1.1308 -2.500816 1.724607 
1 1 1   14    4   -8 o  178.104   1.5748  4261.17   75.335  4240.69  106.379  4281.78  106.703  177.650   2.2294  178.509   2.2255 -0.8586731 3.150106 
1 1 1   14    4   -7 o  212.762   1.6906  6081.17   96.609  6133.91  150.550  6044.25  125.964  213.634   2.6237  212.091   2.2112 1.543533 3.431245 
1 1 1   14    4   -6 o   91.649   1.0470  1128.16   25.772  1104.82   32.421  1168.23   42.479   90.693   1.3309   93.253   1.6960 -2.560570 2.155853 
1 1 1   14    4   -5 o  166.794   1.5666  3737.12   70.183  3825.31  123.223  3694.77   85.387  168.705   2.7194  165.835   1.9170 2.870071 3.327157 
1 1 1   14    4   -4 o  175.605   1.8610  4142.71   87.775  4169.47  134.474  4122.84  115.860  176.131   2.8426  175.160   2.4627 0.9701385 3.760982 
1 1 1   14    4   -3 f  108.545   1.1062  1582.46   32.250  1631.63   56.751  1559.02   39.193  110.205   1.9173  107.734   1.3544 2.470451 2.347425 
1 1 1   14    4   -2 o  108.303   1.1711  1575.45   34.067  1601.18   56.137  1560.45   42.861  109.172   1.9144  107.782   1.4806 1.389587 2.420157 
1 1 1   14    4   -1 o  183.136   1.7026  4505.38   83.749  4365.28  142.308  4579.62  103.587  180.215   2.9400  184.625   2.0889 -4.409897 3.606528 
1 1 1   14    4    0 o  215.708   1.8748  6250.92  108.621  6144.77  169.875  6324.34  141.276  213.814   2.9580  216.946   2.4245 -3.131805 3.824668 
1 1 1   14    4    1 o   84.474   0.8502  958.376   19.289  958.640   28.741  958.159   26.020   84.482   1.2666   84.462   1.1470 0.1998138E-01 1.708750 
1 1 1   14    4    2 o  353.007   3.1596 16751.44  299.573 16782.01  449.902 16727.10  401.533  353.113   4.7437  352.612   4.2397 0.5002441 6.362154 
1 1 1   14    4    3 f  305.750   2.7493 12563.73  225.775 12539.04  390.655 12576.11  276.657  305.222   4.7653  305.844   3.3678 -0.6217957 5.835233 
1 1 1   14    4    4 o  112.377   1.1352  1696.19   34.263  1707.18   46.282  1682.87   50.967  112.735   1.5285  111.926   1.6954 0.8083267 2.282656 
1 1 1   14    4    5 o  239.487   1.9714  7705.63  126.808  7769.64  189.109  7653.34  170.933  240.418   2.9285  238.631   2.6669 1.787247 3.960900 
1 1 1   14    4    6 o  124.075   1.1094  2067.72   36.970  2029.67   54.300  2100.60   50.476  122.919   1.6447  125.051   1.5028 -2.132286 2.227894 
1 1 1   14    4    7 o  369.678   2.8619 18369.87  284.160 18489.10  442.046 18285.90  370.961  370.638   4.4404  368.713   3.7458 1.925842 5.809367 
1 1 1   14    4    8 o  236.672   1.9501  7525.61  123.965  7477.60  183.041  7566.29  168.488  235.856   2.8894  237.268   2.6439 -1.412781 3.916468 
1 1 1   14    4    9 o  324.065   3.0847 14118.69  268.492 14249.11  440.886 14041.82  338.500  325.264   5.0466  323.077   3.9009 2.187103 6.378466 
1 1 1   14    4   10 o  119.203   1.2586  1908.60   40.297  1866.59   64.957  1934.89   51.379  117.866   2.0518  120.014   1.5939 -2.148247 2.598180 
1 1 1   14    4   11 o   93.756   1.0608  1180.64   26.714  1181.79   43.696  1179.95   33.758   93.791   1.7346   93.725   1.3410 0.6632233E-01 2.192477 
1 1 1   14    4   12 o  136.161   1.4040  2490.40   51.345  2437.70   82.611  2523.57   65.542  134.686   2.2836  137.055   1.7805 -2.368378 2.895667 
1 1 1   14    4   13 o  125.031   1.3123  2099.85   44.071  2024.16   70.327  2148.79   56.553  122.735   2.1334  126.471   1.6648 -3.736061 2.706079 
1 1 1   14    4   14 o  173.486   1.6263  4043.32   75.782  3995.97  130.166  4067.60   93.206  172.410   2.8109  173.992   1.9945 -1.581635 3.446589 
1 1 1   14    4   15 o  188.067   1.5807  4751.51   79.848  4744.83  118.213  4757.11  108.282  187.898   2.3424  188.152   2.1427 -0.2541199 3.174534 
1 1 1   14    4   16 o  111.372   1.0302  1666.01   30.817  1642.08   41.365  1695.87   46.200  110.563   1.3929  112.355   1.5309 -1.792831 2.069781 
1 1 1   14    4   17 o   98.086   1.0391  1292.24   27.375  1279.52   40.771  1302.69   36.941   97.592   1.5554   98.475   1.3967 -0.8827438 2.090435 
1 1 1   14    4   18 o  135.124   1.2494  2452.63   45.343  2434.50   63.840  2471.09   64.414  134.607   1.7658  135.615   1.7684 -1.007767 2.499026 
1 1 1   14    4   19 o  103.581   0.9832  1441.11   27.354  1449.18   40.614  1434.41   37.006  103.861   1.4559  103.333   1.3334 0.5279083 1.974199 
1 1 1   14    4   20 o  121.174   1.2105  1972.40   39.396  1958.62   58.818  1983.61   53.055  120.729   1.8139  121.504   1.6257 -0.7749863 2.435796 
1 1 1   14    4   21 o  289.894   2.2664 11297.63  176.468 11279.40  249.217 11315.96  249.911  289.511   3.2049  289.979   3.2087 -0.4680176 4.535111 
1 1 1   14    4   22 o  109.524   0.9815  1611.28   28.872  1594.47   40.558  1628.55   41.109  108.939   1.3861  110.097   1.3902 -1.158073 1.963121 
1 1 1   14    4   23 o   39.049   0.7745  204.812   8.1234  210.345   10.854  197.767   12.249   39.571   1.0212   38.368   1.1886 1.203129 1.567028 
1 1 1   14    4   24 o   37.688   0.7797  190.785   7.8931  188.393   10.446  193.968   12.050   37.449   1.0386   37.997   1.1807 -0.5484619 1.572455 
1 1 1   14    4   25 o  137.699   1.2190  2547.55   45.084  2548.43   60.976  2546.50   66.958  137.697   1.6487  137.633   1.8113 0.6413269E-01 2.449303 
1 1 1   14    4   26 f  136.347   1.2117  2497.92   44.374  2506.07   60.142  2488.18   65.741  136.540   1.6399  136.039   1.7992 0.5012360 2.434426 
1 1 1   14    4   27 o   52.235   0.8916  366.538   12.508  345.215   17.831  387.197   17.551   50.683   1.3099   53.679   1.2173 -2.995964 1.788193 
1 1 1   14    4   28 o   15.654   1.2167   33.131   5.0757   33.017   6.9734   33.260   7.4020   15.578   1.6940   15.623   1.7966 -0.4548550E-01 2.469286 
1 1 1   14    4   29 o   27.908   0.8314  104.636   6.2324  105.477   8.7511  103.770   8.8783   28.015   1.1630   27.787   1.1896 0.2279968 1.663610 
1 1 1   14    4   30 o  108.494   1.0315  1581.75   30.058  1584.07   40.530  1578.91   44.807  108.547   1.3902  108.357   1.5395 0.1901169 2.074314 
1 1 1   14    4   31 o   46.488   0.9210  290.388   11.500  288.541   14.840  293.164   18.194   46.332   1.1925   46.692   1.4507 -0.3597984 1.877974 
1 1 1   14    4   32 f   88.153   0.9065  1044.19   21.463  1058.06   29.243  1027.98   31.598   88.717   1.2272   87.438   1.3455 1.279160 1.821105 
1 1 1   14    4   33 f  140.470   1.1951  2652.64   45.091  2631.47   63.394  2674.32   64.150  139.836   1.6879  140.969   1.6943 -1.132919 2.391531 
1 1 1   14    4   34 o   89.735   0.8826  1082.06   21.272  1083.62   30.005  1080.49   30.163   89.772   1.2444   89.641   1.2528 0.1305618 1.765794 
1 1 1   14    4   35 o   80.075   0.8391  861.643   18.046  860.044   25.449  863.259   25.593   79.976   1.1847   80.125   1.1892 -0.1490097 1.678653 
1 1 1   14    4   36 o   34.266   0.8573  157.796   7.8901  161.306   11.890  155.035   10.547   34.629   1.2783   33.955   1.1565 0.6748581 1.723830 
1 1 1   14    4   37 o   15.723   1.6040   33.637   6.6787   34.183   12.389   33.413   7.9295   15.609   3.0646   15.624   1.9307 -0.1526737E-01 3.622025 
1 1 1   14    4   38 o   59.312   0.9204  472.957   14.662  460.902   22.163  482.340   19.552   58.509   1.4103   59.874   1.2158 -1.364796 1.862038 
1 1 1   14    4   39 f   45.708   0.8235  280.841   10.110  276.529   14.951  284.473   13.723   45.328   1.2280   45.984   1.1111 -0.6554794 1.656086 
1 1 1   14    4   40 o   34.243   0.8641  157.656   7.9477  163.278   11.128  151.804   11.355   34.829   1.1896   33.579   1.2590 1.250488 1.732085 
1 1 1   14    4   41 o   39.872   0.8715  213.776   9.3334  213.374   12.291  214.323   14.345   39.815   1.1493   39.887   1.3390 -0.7232666E-01 1.764597 
1 1 1   14    4   42 o   53.958   0.9775  391.679   14.167  414.380   21.060  372.916   19.146   55.447   1.4141   52.608   1.3550 2.839394 1.958511 
1 1 1   14    4   43 o   62.840   0.7793  530.938   13.153  544.928   17.668  513.550   19.698   63.634   1.0337   61.754   1.1876 1.879623 1.574473 
1 1 1   14    4   44 o   44.619   0.7957  267.710   9.5354  280.523   12.573  250.364   14.629   45.654   1.0254   43.106   1.2636 2.548233 1.627249 
1 1 1   14    4   45 o   85.776   0.8561  989.717   19.723  986.461   26.762  993.588   29.181   85.575   1.1643   85.860   1.2654 -0.2848816 1.719560 
1 1 1   14    4   46 o   41.669   0.8462  233.596   9.4705  239.753   13.384  227.423   13.402   42.180   1.1814   41.076   1.2148 1.103031 1.694530 
1 1 1   14    4   47 o   25.103   1.3232   85.265   8.8899   94.223   11.615   72.596   13.814   26.340   1.6501   22.983   2.2673 3.356991 2.804215 
1 1 1   14    4   48 o   48.464   0.9001  316.179   11.716  322.555   15.567  307.849   17.793   48.908   1.1850   47.744   1.3875 1.164234 1.824720 
1 1 1   14    4   49 o   16.651   1.8422   38.064   8.1008   19.711   14.483   46.420   9.7724   11.987   3.9127   18.372   2.0133 -6.385299 4.400338 
1 1 1   14    4   50 o   31.196   1.1465  131.240   9.6065  114.848   14.773  143.249   12.645   29.018   1.9061   32.553   1.4462 -3.535023 2.392620 
1 1 1   14    4   51 o   61.571   0.8906  510.404   14.728  513.904   20.164  506.401   21.562   61.715   1.2165   61.240   1.3109 0.4753036 1.788365 
1 1 1   14    4   52 o   19.921   1.4622   53.957   7.7691   50.530   11.096   57.254   10.882   19.124   2.2004   20.416   2.0105 -1.292126 2.980575 
1 1 1   14    4   53 o   63.187   0.9559  537.979   16.222  557.184   23.125  519.370   22.763   64.202   1.3410   61.977   1.3675 2.224869 1.915286 
1 1 1   14    4   54 o   30.988   1.2093  129.738   10.065  124.457   14.208  135.057   14.259   30.200   1.7593   31.482   1.6925 -1.281986 2.441250 
1 1 1   14    4   55 o   21.563   1.6057   63.565   9.2329   71.445   13.537   56.710   12.625   22.682   2.2518   20.144   2.3793 2.537792 3.275954 
1 1 1   14    4   56 o   24.984   1.5018   85.216   10.031   74.418   14.068   96.383   14.307   23.087   2.2994   26.404   2.0331 -3.317247 3.069294 
1 1 1   14    4   57 o   7.7703   2.9141   6.7970   8.2256   4.8718   11.713   8.6705   11.554   8.2198   3.3551   8.9211   3.4286 -0.7012777 4.797097 
1 1 1   14    4   58 o   17.752   2.1254   44.378   9.9327   46.173   15.158   43.027   13.149   17.562   3.3355   17.118   2.9674 0.4436874 4.464415 
1 1 1   14    4   59 o   7.9702   3.2270   5.3726   10.731   12.480   14.049  -4.5796   16.625   9.9571   3.7915   8.0222   3.6235 1.934916 5.244583 
1 1 1   14    5  -58 o   17.352   4.1810   48.015   19.256  -1.6130   26.393  104.500   28.158   10.275   4.6099   25.810   4.2067 -15.53442 6.240810 
1 1 1   14    5  -57 o   10.201   4.1557   9.4777   17.925   12.090   24.046   6.2110   26.890   11.485   4.7599   11.241   4.8593 0.2439318 6.802149 
1 1 1   14    5  -56 o   17.009   2.9618   42.003   13.039   47.574   18.589   36.607   18.294   17.641   4.0136   15.370   4.2756 2.271374 5.864310 
1 1 1   14    5  -55 o   15.985   2.7731   36.637   11.474   51.702   16.691   23.140   15.799   18.786   3.4346   12.610   4.0849 6.176058 5.336961 
1 1 1   14    5  -54 o   50.252   1.0245  340.765   13.828  326.048   17.981  362.067   21.632   49.064   1.3644   51.636   1.5598 -2.572128 2.072331 
1 1 1   14    5  -53 o   18.029   1.4950   44.332   7.1742   44.630   9.9216   44.005   10.386   17.959   2.0963   17.799   2.2208 0.1594925 3.053951 
1 1 1   14    5  -52 o   31.311   0.9892  132.118   8.3188  125.498   11.724  138.830   11.805   30.458   1.4331   32.045   1.3716 -1.586746 1.983694 
1 1 1   14    5  -51 o   4.5749   2.1096  -4.6379   6.0237  -5.4750   8.3849  -3.7451   8.6593   5.5166   2.5235   5.8835   2.6400 -0.3669891 3.652036 
1 1 1   14    5  -50 o   31.055   1.0822  130.002   9.0265  133.342   14.325  127.802   11.625   31.318   1.7094   30.751   1.4074 0.5670929 2.214293 
1 1 1   14    5  -49 o   22.706   1.1535   69.706   7.0118   67.793   9.9081   71.625   9.9242   22.309   1.6655   22.943   1.6209 -0.6334648 2.324085 
1 1 1   14    5  -48 o   16.031   1.5352   35.074   6.5293   33.723   8.7310   36.788   9.8349   15.598   2.1405   16.262   2.3171 -0.6645031 3.154503 
1 1 1   14    5  -47 o   24.171   1.1609   78.771   7.5367   71.480   10.598   86.231   10.720   22.907   1.7354   25.198   1.5921 -2.291063 2.355129 
1 1 1   14    5  -46 o   42.029   0.8066  237.639   9.1050  251.023   12.976  224.656   12.779   43.162   1.1193   40.826   1.1654 2.335430 1.615850 
1 1 1   14    5  -45 o   60.909   0.7976  499.001   13.048  511.210   18.398  486.646   18.508   61.605   1.1119   60.101   1.1465 1.504009 1.597120 
1 1 1   14    5  -44 o   10.399   2.1183   15.190   5.7156   23.678   7.9811   6.2544   8.1889   13.001   2.3730   7.7681   2.9087 5.232856 3.753915 
1 1 1   14    5  -43 o   22.807   1.0027   69.998   6.1422   68.055   8.7133   71.916   8.6598   22.416   1.4551   23.052   1.4054 -0.6359863 2.022963 
1 1 1   14    5  -42 o   35.136   0.8606  166.026   8.1220  156.922   10.840  177.681   12.264   34.137   1.1822   36.318   1.2572 -2.181458 1.725778 
1 1 1   14    5  -41 o   65.466   0.8890  576.391   15.632  603.101   26.136  561.513   19.505   66.885   1.4548   64.587   1.1244 2.297188 1.838691 
1 1 1   14    5  -40 o   27.514   0.8938  101.802   6.6053   94.720   9.6454  108.056   9.0643   26.481   1.3607   28.331   1.1912 -1.850279 1.808424 
1 1 1   14    5  -39 o   35.240   0.8252  166.956   7.8103  164.071   11.768  169.228   10.441   34.910   1.2551   35.465   1.0961 -0.5547752 1.666363 
1 1 1   14    5  -38 o   19.817   1.1622   53.023   6.1589   48.295   8.8275   57.507   8.5970   18.840   1.7650   20.599   1.5656 -1.758286 2.359319 
1 1 1   14    5  -37 o   33.084   0.8235  147.118   7.3180  150.854   9.4000  141.369   11.660   33.493   1.0449   32.408   1.3395 1.084290 1.698870 
1 1 1   14    5  -36 o   83.284   0.8916  932.315   19.944  945.442   26.859  916.180   29.777   83.839   1.1928   82.514   1.3436 1.325005 1.796610 
1 1 1   14    5  -35 o   34.666   1.0254  161.555   9.5471  169.490   12.770  151.499   14.375   35.495   1.3395   33.546   1.5954 1.948963 2.083204 
1 1 1   14    5  -34 o   91.682   0.9209  1129.68   22.677  1104.48   30.449  1161.08   33.982   90.625   1.2509   92.907   1.3618 -2.281456 1.849140 
1 1 1   14    5  -33 o   49.312   0.7175  326.703   9.5029  318.563   13.235  335.365   13.653   48.684   1.0122   49.952   1.0176 -1.267151 1.435269 
1 1 1   14    5  -32 o   98.390   1.0034  1301.02   26.516  1317.48   34.509  1277.29   41.431   98.986   1.2980   97.435   1.5831 1.550903 2.047205 
1 1 1   14    5  -31 o   76.563   0.7974  787.573   16.399  781.239   23.081  794.029   23.303   76.238   1.1271   76.860   1.1288 -0.6214142 1.595208 
1 1 1   14    5  -30 o   37.368   0.8994  187.622   9.0266  149.840   19.756  197.590   10.148   33.277   2.2232   38.346   0.9853 -5.068512 2.431727 
1 1 1   14    5  -29 o   36.175   0.8156  175.813   7.9244  152.731   13.423  188.160   9.8177   33.702   1.4829   37.421   0.9768 -3.718601 1.775713 
1 1 1   14    5  -28 o   68.276   0.8482  626.269   15.555  641.136   25.431  617.382   19.662   69.061   1.3710   67.782   1.0800 1.278961 1.745303 
1 1 1   14    5  -27 o  151.042   1.5441  3067.17   62.641  2790.14  119.429  3172.31   73.573  143.822   3.0917  153.581   1.7836 -9.759094 3.569252 
1 1 1   14    5  -26 o  129.301   1.2898  2246.80   44.795  2208.40   77.656  2265.95   54.838  128.102   2.2570  129.830   1.5726 -1.727753 2.750804 
1 1 1   14    5  -25 o  117.551   1.4753  1857.17   46.580  1847.72   56.963  1876.24   80.922  117.228   1.8091  118.060   2.5519 -0.8324356 3.128155 
1 1 1   14    5  -24 o   86.173   1.2313  997.736   28.499  1012.23   40.658  983.736   39.958   86.776   1.7444   85.546   1.7391 1.229851 2.463201 
1 1 1   14    5  -23 o  168.813   1.6990  3830.28   77.037  3816.30  108.716  3844.39  109.180  168.436   2.4031  169.055   2.4045 -0.6185913 3.399467 
1 1 1   14    5  -22 o   46.410   0.9296  289.317   11.588  273.805   16.009  306.388   16.794   45.143   1.3203   47.754   1.3093 -2.610825 1.859444 
1 1 1   14    5  -21 o  182.119   1.8136  4457.61   88.711  4466.37  125.463  4448.85  125.450  182.229   2.5633  181.871   2.5681 0.3583069 3.628501 
1 1 1   14    5  -20 o   83.633   1.0410  939.542   23.383  953.134   33.157  926.093   32.982   84.226   1.4656   83.023   1.4791 1.203712 2.082245 
1 1 1   14    5  -19 o  153.781   1.5677  3177.40   64.754  3098.50   90.175  3261.39   93.043  151.824   2.2113  155.762   2.2240 -3.938843 3.136256 
1 1 1   14    5  -18 o   98.111   1.1245  1292.98   29.631  1278.60   41.577  1307.82   42.241   97.553   1.5868   98.661   1.5940 -1.108040 2.249204 
1 1 1   14    5  -17 o   69.474   0.9568  648.292   17.854  656.218   25.307  640.438   25.193   69.892   1.3481   69.046   1.3585 0.8456573 1.913835 
1 1 1   14    5  -16 o  214.753   1.8734  6196.94  108.056  6207.31  152.932  6186.60  152.698  214.874   2.6499  214.515   2.6502 0.3588715 3.747728 
1 1 1   14    5  -15 o  145.885   1.7199  2859.36   67.392  2804.87   93.873  2917.31   96.808  144.457   2.4194  147.323   2.4465 -2.865601 3.440801 
1 1 1   14    5  -14 o  326.362   3.3255 14326.34  291.504 14122.04  440.843 14485.08  388.583  323.695   5.0706  327.973   4.4112 -4.277679 6.720791 
1 1 1   14    5  -13 o   36.014   0.7722  174.200   7.4692  183.029   10.456  165.001   10.673   36.915   1.0546   35.049   1.1337 1.865570 1.548419 
1 1 1   14    5  -12 o   91.951   1.1302  1135.66   27.914  1203.75   44.606  1091.83   35.788   94.656   1.7545   90.154   1.4779 4.502487 2.294007 
1 1 1   14    5  -11 o  151.936   1.3102  3100.83   53.469  3168.89   80.332  3046.69   71.645  153.574   1.9475  150.590   1.7713 2.984085 2.632558 
1 1 1   14    5  -10 o   73.825   0.7576  731.977   15.022  734.391   21.237  729.561   21.251   73.944   1.0693   73.700   1.0735 0.2436142 1.515201 
1 1 1   14    5   -9 o  124.539   1.1123  2083.25   37.207  2037.35   54.539  2123.21   50.887  123.149   1.6489  125.720   1.5070 -2.571548 2.233795 
1 1 1   14    5   -8 o  132.966   1.2272  2374.76   43.827  2362.84   56.467  2392.82   69.508  132.624   1.5852  133.452   1.9392 -0.8286285 2.504642 
1 1 1   14    5   -7 o  117.071   1.1096  1840.87   34.889  1871.93   45.470  1796.41   54.404  118.049   1.4341  115.636   1.7517 2.412689 2.263823 
1 1 1   14    5   -6 o  228.983   1.8098  7044.26  111.305  7071.55  157.762  7017.21  157.059  229.383   2.5607  228.500   2.5591 0.8829803 3.620201 
1 1 1   14    5   -5 o   87.754   0.9151  1034.29   21.569  1030.41   27.718  1040.24   34.343   87.587   1.1782   88.000   1.4530 -0.4133606 1.870682 
1 1 1   14    5   -4 o   72.647   0.7862  708.813   15.340  726.677   23.096  694.711   20.521   73.554   1.1691   71.919   1.0623 1.635010 1.579637 
1 1 1   14    5   -3 o  146.876   1.2175  2897.59   48.029  2893.38   67.869  2901.81   67.978  146.757   1.7218  146.970   1.7221 -0.2136993 2.435176 
1 1 1   14    5   -2 o  115.798   1.0065  1800.99   31.303  1794.77   44.198  1807.24   44.340  115.591   1.4236  115.992   1.4232 -0.4011459 2.013016 
1 1 1   14    5   -1 o  147.484   1.2217  2921.63   48.394  2977.68   69.193  2867.95   67.711  148.879   1.7304  146.110   1.7254 2.768753 2.443582 
1 1 1   14    5    0 o  171.590   1.4551  3955.04   67.063  4007.43   91.525  3894.30   98.547  172.705   1.9731  170.243   2.1552 2.462387 2.921958 
1 1 1   14    5    1 o  100.322   1.1152  1351.82   30.049  1426.94   62.250  1329.00   34.312  103.049   2.2491   99.470   1.2843 3.579697 2.589919 
1 1 1   14    5    2 o  222.165   1.9276  6631.30  115.021  6720.35  164.002  6545.09  161.360  223.604   2.7307  220.670   2.7225 2.934326 3.855977 
1 1 1   14    5    3 o  255.096   2.0922  8743.56  143.349  8903.42  215.037  8615.71  192.313  257.340   3.1111  253.172   2.8281 4.167801 4.204434 
1 1 1   14    5    4 o  235.624   2.0367  7459.46  128.896  7635.07  206.934  7348.13  164.763  238.295   3.2331  233.822   2.6235 4.472748 4.163649 
1 1 1   14    5    5 o  139.413   1.2183  2610.60   45.618  2635.07   68.036  2590.62   61.487  140.050   1.8087  138.868   1.6485 1.181885 2.447224 
1 1 1   14    5    6 o  139.238   1.2167  2604.07   45.501  2598.44   67.368  2608.79   61.701  139.073   1.8035  139.354   1.6485 -0.2809448 2.443375 
1 1 1   14    5    7 o   61.813   0.8149  513.161   13.529  502.215   19.976  522.435   18.388   61.147   1.2163   62.367   1.0977 -1.219784 1.638424 
1 1 1   14    5    8 o  145.693   1.2639  2851.18   49.457  2881.81   73.771  2826.18   66.655  146.457   1.8754  145.042   1.7110 1.415466 2.538590 
1 1 1   14    5    9 o  341.714   2.7692 15696.04  254.165 15634.91  343.431 15770.07  377.927  340.916   3.7506  342.328   4.1103 -1.411957 5.564311 
1 1 1   14    5   10 o  179.593   1.5895  4332.87   76.673  4346.71  108.645  4319.14  108.220  179.851   2.2491  179.280   2.2474 0.5712128 3.179492 
1 1 1   14    5   11 o  104.607   1.0261  1469.74   28.829  1441.69   36.893  1513.74   46.202  103.599   1.3259  106.151   1.6205 -2.551506 2.093763 
1 1 1   14    5   12 o   42.729   0.8300  245.220   9.5253  240.533   11.943  253.413   15.791   42.318   1.0507   43.434   1.3536 -1.116257 1.713526 
1 1 1   14    5   13 o  163.167   1.3373  3576.26   58.607  3535.42   89.966  3606.37   77.247  162.205   2.0650  163.838   1.7554 -1.632553 2.710286 
1 1 1   14    5   14 o  194.747   1.5635  5095.12   81.785  5076.15  126.202  5108.86  107.386  194.338   2.4178  194.986   2.0505 -0.6476288 3.170185 
1 1 1   14    5   15 o  125.148   1.1773  2103.78   39.573  2109.52   56.064  2098.09   55.864  125.306   1.6658  124.966   1.6644 0.3398972 2.354785 
1 1 1   14    5   16 o  289.387   2.4780 11257.30  192.609 11064.46  300.841 11391.25  250.735  286.694   3.9068  291.009   3.2079 -4.315186 5.055070 
1 1 1   14    5   17 o   88.315   1.0354  1047.63   24.559  1077.84   35.087  1018.61   34.388   89.571   1.4584   87.075   1.4703 2.496071 2.070963 
1 1 1   14    5   18 o   39.733   0.8524  212.046   9.0969  197.576   13.188  225.180   12.564   38.351   1.2803   40.943   1.1425 -2.592712 1.715974 
1 1 1   14    5   19 o  195.790   1.5726  5150.53   82.700  5201.12  117.601  5101.03  116.321  196.702   2.2259  194.801   2.2232 1.901611 3.145990 
1 1 1   14    5   20 o  117.276   1.1279  1847.56   35.528  1876.32   50.547  1819.48   49.947  118.170   1.5926  116.366   1.5981 1.803940 2.256099 
1 1 1   14    5   21 o  213.004   1.7744  6097.51  101.517  6018.23  136.229  6196.50  152.234  211.551   2.3975  214.631   2.6407 -3.079956 3.566738 
1 1 1   14    5   22 o   78.926   0.8898  836.742   18.864  827.016   24.151  851.961   30.210   78.461   1.1460   79.629   1.4125 -1.167603 1.818918 
1 1 1   14    5   23 o  171.753   1.4651  3964.01   67.586  3907.71   90.619  4034.59  101.458  170.486   1.9790  173.211   2.1808 -2.724976 2.944867 
1 1 1   14    5   24 o   84.715   0.8415  964.004   19.147  971.205   27.102  956.828   27.054   85.021   1.1868   84.389   1.1936 0.6318588 1.683178 
1 1 1   14    5   25 o  103.344   0.9455  1434.73   26.245  1418.60   36.835  1451.37   37.403  102.745   1.3348  103.924   1.3400 -1.179886 1.891339 
1 1 1   14    5   26 o   49.553   0.9702  329.885   12.913  347.819   19.209  315.097   17.442   50.871   1.4058   48.421   1.3411 2.450222 1.942953 
1 1 1   14    5   27 o   73.178   0.9397  719.441   18.470  721.949   25.987  716.880   26.256   73.290   1.3201   73.032   1.3385 0.2585983 1.879964 
1 1 1   14    5   28 o   83.127   0.8365  928.330   18.676  926.759   26.329  929.921   26.494   83.042   1.1805   83.183   1.1858 -0.1412964 1.673226 
1 1 1   14    5   29 o   83.956   0.8461  946.993   19.079  950.191   26.932  943.771   27.033   84.081   1.1926   83.796   1.2011 0.2850266 1.692585 
1 1 1   14    5   30 o   43.811   0.7773  257.866   9.1469  249.596   12.685  266.824   13.202   43.095   1.0959   44.557   1.1032 -1.462212 1.554969 
1 1 1   14    5   31 o   10.470   1.9358   15.228   5.2432   15.468   6.6223   14.823   8.5834   10.504   2.3998   10.350   2.9463 0.1540346 3.800000 
1 1 1   14    5   32 o   44.775   0.8304  269.367   9.9864  261.510   12.359  284.146   16.950   44.110   1.0432   45.966   1.3729 -1.856087 1.724247 
1 1 1   14    5   33 o   96.821   0.9576  1259.84   24.903  1266.05   33.777  1252.44   36.862   97.030   1.2961   96.494   1.4223 0.5358505 1.924240 
1 1 1   14    5   34 o   46.127   0.8251  285.907   10.222  289.376   14.695  282.655   14.228   46.391   1.1794   45.850   1.1554 0.5408211 1.650982 
1 1 1   14    5   35 o   70.494   0.8741  667.860   16.550  661.130   25.823  672.551   21.560   70.099   1.3715   70.723   1.1350 -0.6233292 1.780247 
1 1 1   14    5   36 o   56.063   0.7651  422.377   11.521  419.315   16.102  425.589   16.493   55.842   1.0735   56.257   1.0915 -0.4150429 1.530961 
1 1 1   14    5   37 o   44.521   0.8458  266.428   10.114  250.111   13.848  285.086   14.808   43.117   1.1958   46.033   1.1977 -2.915966 1.692439 
1 1 1   14    5   38 o   28.085   0.9922  106.076   7.4846   99.968   11.033  111.283   10.187   27.197   1.5164   28.751   1.3192 -1.553446 2.009905 
1 1 1   14    5   39 o   13.296   1.8412   24.316   6.3989   15.902   8.8763   33.421   9.2331   10.657   2.9831   15.552   2.2780 -4.894649 3.753425 
1 1 1   14    5   40 o   31.199   1.0285  130.955   8.6182  126.151   11.191  137.956   13.509   30.600   1.3616   31.983   1.5726 -1.382837 2.080180 
1 1 1   14    5   41 o   25.330   1.2443   86.406   8.4653   85.153   10.741   88.461   13.754   25.072   1.6034   25.491   2.0256 -0.4196815 2.583379 
1 1 1   14    5   42 o   40.425   0.8280  219.754   8.9901  225.602   12.460  213.403   12.984   40.936   1.1332   39.806   1.2144 1.129379 1.661032 
1 1 1   14    5   43 o   76.851   0.8407  794.308   17.353  797.420   22.704  789.935   26.912   76.961   1.0983   76.560   1.3087 0.4019165 1.708542 
1 1 1   14    5   44 o   33.899   0.8610  154.580   7.8392  156.583   10.149  151.618   12.343   34.100   1.1081   33.530   1.3705 0.5692101 1.762446 
1 1 1   14    5   45 o   37.161   0.8786  185.804   8.7693  190.466   12.316  181.010   12.489   37.592   1.2198   36.641   1.2690 0.9504166 1.760204 
1 1 1   14    5   46 o   7.8242   2.5117   8.1707   5.9833   13.297   8.3055   2.6402   8.6271   9.7793   2.9308   7.0448   2.8779 2.734563 4.107559 
1 1 1   14    5   47 o   25.089   1.0985   84.830   7.4026   79.059   10.327   90.928   10.617   24.121   1.6031   25.888   1.5337 -1.766691 2.218626 
1 1 1   14    5   48 o   9.1643   2.6672   11.762   6.9623   17.007   10.576   7.7502   9.2492   11.001   3.3096   8.3795   3.1004 2.621433 4.534933 
1 1 1   14    5   49 o   30.053   1.1201  121.778   9.0413  115.219   11.725  131.398   14.200   29.149   1.5028   31.091   1.7070 -1.942062 2.274213 
1 1 1   14    5   50 o   24.474   1.2538   81.053   8.2143   66.259   10.744  101.866   12.744   22.020   1.8333   27.354   1.7436 -5.334154 2.530074 
1 1 1   14    5   51 o   10.100   2.8724   14.442   8.1623   13.400   11.715   15.424   11.379   10.195   3.5206   10.645   3.4679 -0.4500809 4.941734 
1 1 1   14    5   52 o   21.117   1.3755   60.541   7.7593   66.596   10.562   53.442   11.437   22.072   1.7972   19.663   2.2034 2.408365 2.843398 
1 1 1   14    5   53 o   18.677   1.6485   47.705   8.1847   47.905   12.425   47.552   10.878   18.483   2.5726   18.509   2.2332 -0.2601051E-01 3.406685 
1 1 1   14    5   54 o   6.8213   2.8125   2.3029   8.3341   8.3365   12.763  -2.1822   11.004   9.2264   3.5874   6.9352   3.0511 2.291251 4.709432 
1 1 1   14    5   55 o   7.5754   2.9047   5.7927   8.2814   10.476   11.365   0.4895   12.093   9.3442   3.4405   7.6472   3.2818 1.697034 4.754691 
1 1 1   14    5   56 o   9.6416   3.0272   13.220   8.7311   14.247   12.514   12.246   12.188   10.305   3.6336   9.8180   3.5707 0.4873991 5.094457 
1 1 1   14    5   57 o   40.055   1.3193  218.254   14.194  187.790   19.881  249.926   20.271   36.791   2.0197   42.646   1.7697 -5.855698 2.685342 
1 1 1   14    5   58 o   17.461   2.4230   43.691   11.057   28.622   15.619   58.831   15.656   13.490   4.0137   19.996   3.0082 -6.506772 5.015909 
1 1 1   14    6  -58 o   22.875   4.4882   85.200   26.591   0.0000   0.0000   85.200   26.591  ?   ?    22.875   4.4882 0.000000 4.488168 
1 1 1   14    6  -57 o   12.578   4.4138   23.811   18.449  -0.5756   24.685   54.670   27.768   10.129   4.5073   17.814   5.3634 -7.684721 7.005857 
1 1 1   14    6  -56 o   7.5285   3.2414   0.5817   11.868 -12.6342   16.451   14.924   17.137   7.2894   3.4037   10.985   4.1865 -3.695906 5.395543 
1 1 1   14    6  -55 o   24.339   2.0992   82.226   13.589   81.391   19.452   83.022   18.992   23.761   3.1236   24.061   3.0041 -0.3001480 4.333794 
1 1 1   14    6  -54 o   36.224   1.5365  178.362   14.949  171.093   21.266  185.464   21.019   35.166   2.2635   36.673   2.1432 -1.507294 3.117163 
1 1 1   14    6  -53 o   33.212   1.0022  148.786   8.9402  146.602   11.897  151.619   13.550   32.910   1.3459   33.435   1.5089 -0.5246315 2.021952 
1 1 1   14    6  -52 o   21.057   1.3462   60.200   7.5737   64.847   10.050   54.090   11.523   21.783   1.7320   19.769   2.2078 2.013649 2.806073 
1 1 1   14    6  -51 o   14.002   1.7597   27.018   6.4715   26.650   9.0287   27.407   9.2807   13.727   2.5425   13.916   2.5779 -0.1895618 3.620760 
1 1 1   14    6  -50 o   48.896   0.8536  321.857   11.210  332.726   16.228  311.936   15.504   49.653   1.2168   48.080   1.2006 1.573185 1.709416 
1 1 1   14    6  -49 o   63.477   0.8801  542.492   15.005  518.970   21.123  566.448   21.317   62.000   1.2685   64.786   1.2251 -2.785435 1.763464 
1 1 1   14    6  -48 o   47.165   0.8141  299.378   10.313  282.033   14.351  317.896   14.829   45.727   1.1685   48.552   1.1371 -2.825871 1.630495 
1 1 1   14    6  -47 o   6.8317   2.4275   5.5409   5.5955   1.3238   7.7159   10.219   8.1267   6.4346   2.6840   8.8169   2.9335 -2.382352 3.976084 
1 1 1   14    6  -46 o   19.954   1.2114   53.894   6.4615   49.470   8.5289   59.854   9.8995   19.042   1.6850   20.943   1.7767 -1.900618 2.448621 
1 1 1   14    6  -45 o   27.155   0.9958   99.291   7.2627  103.521   10.642   95.603   9.9366   27.652   1.4378   26.576   1.3969 1.075359 2.004671 
1 1 1   14    6  -44 o   31.376   0.8800  132.459   7.4158  127.996   10.132  137.608   10.884   30.817   1.2241   31.949   1.2683 -1.131950 1.762664 
1 1 1   14    6  -43 o   4.5496   2.0607  -3.0668   5.4201  -6.7729   7.0259   2.3810   8.5184   4.7552   2.2217   6.9667   2.8545 -2.211551 3.617188 
1 1 1   14    6  -42 o   16.995   1.2694   39.134   5.7528   41.970   7.5662   35.249   8.8568   17.557   1.6228   15.992   2.1137 1.564556 2.664832 
1 1 1   14    6  -41 o   42.430   0.7669  242.053   8.7402  237.737   12.201  246.602   12.527   42.027   1.0808   42.802   1.0896 -0.7755356 1.534770 
1 1 1   14    6  -40 o   49.150   0.9666  324.978   12.761  314.800   29.022  327.417   14.208   48.194   2.2421   49.324   1.0724 -1.130585 2.485347 
1 1 1   14    6  -39 o   66.608   0.8250  596.512   14.759  598.148   22.165  595.208   19.782   66.650   1.2381   66.504   1.1075 0.1465683 1.661179 
1 1 1   14    6  -38 o   41.195   0.7421  228.098   8.2110  225.814   11.393  230.568   11.844   40.971   1.0353   41.398   1.0652 -0.4270058 1.485436 
1 1 1   14    6  -37 o   67.629   0.8967  614.929   16.289  619.902   19.959  605.009   28.188   67.883   1.0947   67.003   1.5663 0.8798752 1.910902 
1 1 1   14    6  -36 o   84.775   0.8534  966.031   19.433  951.825   27.173  980.902   27.802   84.111   1.2028   85.385   1.2123 -1.273865 1.707714 
1 1 1   14    6  -35 o   20.738   0.9018   57.809   5.0232   57.085   6.7218   58.726   7.5594   20.564   1.2225   20.846   1.3575 -0.2821712 1.826829 
1 1 1   14    6  -34 o   94.089   1.0519  1190.17   26.583  1177.49   34.905  1207.67   41.017   93.548   1.3892   94.709   1.6124 -1.160477 2.128330 
1 1 1   14    6  -33 o   74.176   0.8284  739.352   16.505  724.685   22.153  757.649   24.744   73.418   1.1234   75.061   1.2273 -1.643089 1.663862 
1 1 1   14    6  -32 o   24.347   0.8103   79.647   5.2990   86.092   7.0611   71.338   8.0175   25.308   1.0388   22.995   1.3035 2.313070 1.666754 
1 1 1   14    6  -31 o   57.234   0.7781  440.120   11.961  434.858   15.448  447.997   18.901   56.882   1.0111   57.725   1.2190 -0.8429642 1.583805 
1 1 1   14    6  -30 o   82.928   0.8730  924.040   19.445  903.144   28.663  941.856   26.467   81.958   1.3021   83.705   1.1772 -1.747063 1.755376 
1 1 1   14    6  -29 f   74.937   1.0660  754.697   21.456  745.579   40.990  758.139   25.182   74.409   2.0510   75.098   1.2484 -0.6880264 2.401057 
1 1 1   14    6  -28 o   70.519   0.8572  668.127   16.235  664.089   26.191  670.646   20.690   70.281   1.3875   70.642   1.0904 -0.3614273 1.764681 
1 1 1   14    6  -27 o   51.161   0.7952  351.629   10.928  348.415   18.177  353.448   13.675   50.911   1.3293   51.288   0.9927 -0.3771019 1.659063 
1 1 1   14    6  -26 o  140.888   1.4584  2668.39   55.188  2585.93  109.072  2696.77   63.982  138.480   2.9325  141.611   1.6822 -3.131348 3.380691 
1 1 1   14    6  -25 o  130.607   1.3737  2292.69   48.191  2208.78   94.977  2321.78   55.925  128.038   2.7618  131.416   1.5844 -3.377380 3.183973 
1 1 1   14    6  -24 o  107.633   1.2756  1556.77   36.878  1572.30   49.469  1537.35   55.328  108.143   1.7031  106.918   1.9266 1.225113 2.571479 
1 1 1   14    6  -23 o   32.915   0.9224  145.538   8.1549  137.372   12.569  151.474   10.717   31.971   1.4637   33.576   1.1883 -1.605051 1.885330 
1 1 1   14    6  -22 o   96.178   0.9885  1242.63   25.537  1241.73   36.006  1243.55   36.224   96.129   1.3945   96.199   1.4019 -0.7006073E-01 1.977413 
1 1 1   14    6  -21 o  122.585   1.2352  2018.91   40.670  2035.14   61.459  2006.28   54.246  123.045   1.8596  122.181   1.6530 0.8635406 2.488110 
1 1 1   14    6  -20 o   50.547   0.7862  343.177   10.674  335.234   14.905  351.539   15.293   49.955   1.1109   51.155   1.1130 -1.200436 1.572539 
1 1 1   14    6  -19 o  193.472   1.7063  5030.16   88.666  4871.85  122.958  5201.65  127.978  190.342   2.4051  196.677   2.4226 -6.335312 3.413736 
1 1 1   14    6  -18 o  156.269   1.4148  3280.86   59.383  3255.02   83.533  3307.26   84.434  155.620   1.9985  156.864   2.0040 -1.243423 2.830205 
1 1 1   14    6  -17 o   84.580   0.9142  960.886   20.768  967.632   29.393  954.161   29.349   84.870   1.2894   84.277   1.2965 0.5929718 1.828561 
1 1 1   14    6  -16 o  102.621   1.0184  1414.54   28.071  1403.32   44.347  1422.05   36.259  102.199   1.6156  102.887   1.3121 -0.6878510 2.081277 
1 1 1   14    6  -15 o  326.064   2.6495 14294.81  232.039 14231.30  343.150 14348.32  314.964  325.109   3.9297  326.513   3.5914 -1.403442 5.323647 
1 1 1   14    6  -14 o  114.848   1.0992  1771.72   33.907  1766.48   53.298  1775.29   43.946  114.662   1.7306  114.956   1.4233 -0.2944260 2.240707 
1 1 1   14    6  -13 o   97.910   0.9811  1287.59   25.800  1365.61   41.710  1239.24   32.834  100.822   1.5403   96.049   1.2728 4.772659 1.998070 
1 1 1   14    6  -12 o  188.826   1.5855  4790.09   80.411  4781.38  108.690  4800.61  119.515  188.626   2.1454  188.992   2.3544 -0.3661194 3.185268 
1 1 1   14    6  -11 o  127.336   1.1878  2177.96   40.623  2145.24   52.042  2228.99   64.991  126.368   1.5333  128.800   1.8786 -2.432373 2.424925 
1 1 1   14    6  -10 o   89.381   0.9214  1073.00   22.121  1082.53   28.734  1059.13   34.658   89.773   1.1917   88.794   1.4532 0.9798355 1.879354 
1 1 1   14    6   -9 o   71.232   0.9674  681.494   18.509  678.096   24.302  686.187   28.562   71.051   1.2735   71.470   1.4879 -0.4197998 1.958433 
1 1 1   14    6   -8 o  164.926   1.3453  3653.78   59.592  3718.39   85.136  3591.72   83.442  166.358   1.9054  163.500   1.9001 2.857849 2.690859 
1 1 1   14    6   -7 o  160.956   1.5240  3480.21   65.883  3504.58   80.919  3432.29  113.474  161.507   1.8654  159.797   2.6438 1.710022 3.235672 
1 1 1   14    6   -6 o  143.205   1.3783  2754.74   53.012  2687.12   63.993  2902.63   94.644  141.428   1.6846  146.963   2.3977 -5.534943 2.930342 
1 1 1   14    6   -5 o  152.558   1.3131  3126.28   53.804  3089.10   72.363  3172.24   80.461  151.635   1.7768  153.656   1.9496 -2.020935 2.637761 
1 1 1   14    6   -4 o  104.958   1.0813  1479.65   30.482  1488.28   45.762  1472.77   40.868  105.255   1.6187  104.708   1.4531 0.5467377 2.175298 
1 1 1   14    6   -3 o   70.285   0.8128  663.472   15.343  670.630   19.900  652.977   24.095   70.661   1.0485   69.723   1.2866 0.9385376 1.659753 
1 1 1   14    6   -2 o  109.547   1.0595  1611.85   31.173  1675.92   50.358  1572.04   39.692  111.692   1.6786  108.181   1.3660 3.510574 2.164227 
1 1 1   14    6   -1 o  128.159   1.1933  2206.16   41.076  2184.97   57.864  2227.69   58.318  127.531   1.6893  128.772   1.6861 -1.240837 2.386786 
1 1 1   14    6    0 o   66.993   0.8441  602.783   15.189  605.593   26.786  601.451   18.441   67.143   1.4853   66.918   1.0260 0.2253113 1.805220 
1 1 1   14    6    1 o  144.454   1.2014  2802.83   46.614  2820.69   66.229  2785.31   65.619  144.901   1.7017  143.989   1.6967 0.9115448 2.403053 
1 1 1   14    6    2 o  196.051   1.6394  5163.47   86.326  5286.57  129.973  5066.30  115.475  198.335   2.4398  194.171   2.2142 4.163437 3.294749 
1 1 1   14    6    3 o  267.793   2.0974  9635.91  150.861  9625.96  213.271  9645.87  213.430  267.582   2.9674  267.859   2.9666 -0.2767334 4.195985 
1 1 1   14    6    4 o  186.960   1.5705  4695.58   78.863  4674.25  106.497  4721.47  117.350  186.511   2.1259  187.440   2.3309 -0.9291077 3.154768 
1 1 1   14    6    5 o  145.668   1.2640  2850.21   49.453  2859.73   73.492  2842.34   66.852  145.894   1.8755  145.455   1.7112 0.4389343 2.538812 
1 1 1   14    6    6 o  327.463   2.5449 14412.48  223.832 14534.75  318.368 14292.96  314.756  328.714   3.6059  325.970   3.5950 2.743988 5.091870 
1 1 1   14    6    7 o  116.459   1.1086  1821.71   34.677  1821.75   49.146  1821.67   48.937  116.451   1.5713  116.449   1.5646 0.2403259E-02 2.217412 
1 1 1   14    6    8 o  184.461   1.4867  4570.83   73.656  4559.26  103.978  4582.49  104.353  184.201   2.1016  184.669   2.1039 -0.4685364 2.973746 
1 1 1   14    6    9 o   99.703   0.9920  1335.15   26.565  1293.22   36.995  1379.79   38.171   98.118   1.4038  101.349   1.4022 -3.231079 1.984164 
1 1 1   14    6   10 o  229.030   1.9840  7048.18  122.045  6954.91  156.335  7193.72  195.286  227.469   2.5588  231.289   3.1436 -3.820099 4.053359 
1 1 1   14    6   11 o  157.244   1.4918  3321.59   63.006  3334.81   84.772  3305.28   94.175  157.537   2.0035  156.827   2.2357 0.7098083 3.002065 
1 1 1   14    6   12 o  195.848   1.7194  5153.29   90.448  5259.71  129.462  5051.82  126.418  197.817   2.4366  193.869   2.4278 3.948090 3.439648 
1 1 1   14    6   13 o  123.804   1.1123  2058.79   36.988  2080.21   50.433  2033.86   54.412  124.437   1.5090  123.038   1.6465 1.398201 2.233367 
1 1 1   14    6   14 o  288.000   2.2509 11147.95  174.115 11206.27  247.024 11090.35  245.455  288.636   3.1864  287.139   3.1826 1.496185 4.503578 
1 1 1   14    6   15 o  254.692   2.0035  8717.35  137.056  8797.04  194.903  8639.40  192.766  255.767   2.8372  253.465   2.8315 2.301376 4.008364 
1 1 1   14    6   16 o  168.751   1.5911  3826.06   72.115  3927.65  109.693  3748.73   95.704  170.928   2.3893  167.007   2.1335 3.921219 3.203252 
1 1 1   14    6   17 o  162.011   1.6282  3526.71   70.851  3495.88   89.267  3579.20  116.470  161.276   2.0608  163.143   2.6580 -1.866547 3.363287 
1 1 1   14    6   18 o  251.337   2.1700  8491.76  146.491  8626.00  208.943  8361.98  205.440  253.191   3.0725  249.287   3.0683 3.904221 4.342151 
1 1 1   14    6   19 o  177.380   1.5810  4227.83   75.324  4134.99  117.203  4293.16   98.317  175.349   2.4885  178.712   2.0482 -3.362366 3.223048 
1 1 1   14    6   20 o  134.298   1.1966  2422.99   43.163  2537.69   65.449  2334.72   57.419  137.410   1.7733  131.809   1.6219 5.601318 2.403160 
1 1 1   14    6   21 o  124.424   1.1257  2079.80   37.621  2047.20   55.202  2108.08   51.409  123.420   1.6652  125.249   1.5282 -1.829239 2.260169 
1 1 1   14    6   22 o  142.566   1.1989  2730.73   45.909  2723.13   64.716  2738.43   65.137  142.337   1.6928  142.735   1.6990 -0.3987579 2.398390 
1 1 1   14    6   23 o   65.382   0.7926  574.215   13.918  589.920   20.660  561.164   18.833   66.262   1.1608   64.629   1.0849 1.633339 1.588901 
1 1 1   14    6   24 o   74.675   0.8686  749.093   17.422  735.638   24.285  763.359   25.007   73.991   1.2220   75.372   1.2353 -1.380775 1.737560 
1 1 1   14    6   25 o   76.243   0.9340  780.947   19.127  795.871   25.573  762.000   28.815   76.957   1.2372   75.294   1.4248 1.663429 1.887015 
1 1 1   14    6   26 o   47.806   0.7299  306.999   9.3722  311.743   13.088  302.006   13.427   48.168   1.0116   47.409   1.0545 0.7592621 1.461254 
1 1 1   14    6   27 o   56.935   0.7338  435.453   11.221  437.051   15.684  433.778   16.061   57.031   1.0239   56.817   1.0525 0.2148361 1.468324 
1 1 1   14    6   28 o  129.056   1.1142  2238.38   38.620  2260.57   54.794  2216.47   54.442  129.647   1.5735  128.375   1.5789 1.271500 2.229130 
1 1 1   14    6   29 f  107.595   1.0630  1555.82   30.720  1532.75   43.060  1579.74   43.841  106.755   1.5017  108.379   1.5061 -1.623489 2.126838 
1 1 1   14    6   30 o   17.168   1.1374   39.792   5.2151   31.427   7.0238   50.068   7.7855   15.181   1.7549   19.233   1.5195 -4.052653 2.321332 
1 1 1   14    6   31 o   28.012   0.8452  105.431   6.3590  105.302   8.7865  105.573   9.2147   27.988   1.1688   28.022   1.2243 -0.3462029E-01 1.692655 
1 1 1   14    6   32 o  102.199   0.9955  1403.79   27.326  1410.69   40.664  1398.11   36.901  102.400   1.4785  101.958   1.3475 0.4422989 2.000396 
1 1 1   14    6   33 o   23.665   1.1222   75.295   7.1328   81.497   9.7827   68.256   10.422   24.565   1.4897   22.447   1.7423 2.117952 2.292370 
1 1 1   14    6   34 o   81.776   0.9252  898.833   20.322  888.373   25.936  915.467   32.707   81.277   1.1881   82.476   1.4765 -1.199005 1.895134 
1 1 1   14    6   35 o  113.666   1.0681  1737.27   32.608  1713.45   43.768  1766.99   48.882  112.825   1.4443  114.546   1.5888 -1.721466 2.147197 
1 1 1   14    6   36 o   83.940   0.8651  947.136   19.504  980.384   27.865  915.200   27.309   85.362   1.2154   82.473   1.2328 2.888809 1.731184 
1 1 1   14    6   37 o   17.014   1.5117   39.305   6.8363   42.201   8.6588   34.512   11.139   17.587   1.8613   15.727   2.7364 1.859589 3.309452 
1 1 1   14    6   38 o   73.921   0.8693  734.701   17.259  739.840   23.073  728.172   26.005   74.145   1.1586   73.535   1.3167 0.6095352 1.753831 
1 1 1   14    6   39 o   52.427   0.9261  369.667   13.041  363.705   19.631  374.378   17.448   51.953   1.4068   52.730   1.2320 -0.7775688 1.870004 
1 1 1   14    6   40 o   74.856   0.9613  753.801   19.328  758.640   29.061  749.962   25.883   75.017   1.4423   74.615   1.2915 0.4021225 1.936051 
1 1 1   14    6   41 o   22.119   1.0939   65.859   6.4992   61.668   8.8371   70.796   9.5917   21.323   1.5537   22.852   1.5723 -1.528879 2.210437 
1 1 1   14    6   42 o   46.463   0.7881  290.295   9.8358  286.742   13.462  294.365   14.406   46.152   1.0860   46.755   1.1472 -0.6028404 1.579677 
1 1 1   14    6   43 o   20.982   1.1248   59.459   6.3158   67.901   8.2084   47.209   9.8880   22.398   1.3711   18.559   2.0160 3.838116 2.438068 
1 1 1   14    6   44 o   40.925   0.7926  225.270   8.7123  223.876   11.572  227.094   13.237   40.775   1.0567   41.050   1.2005 -0.2759666 1.599322 
1 1 1   14    6   45 o   54.469   0.8171  399.148   11.954  411.752   16.981  386.765   16.831   55.276   1.1438   53.568   1.1698 1.707703 1.636049 
1 1 1   14    6   46 o   56.457   0.9827  429.247   14.902  421.953   22.766  434.714   19.711   55.867   1.5172   56.757   1.2930 -0.8899994 1.993377 
1 1 1   14    6   47 o   58.687   0.8575  463.594   13.516  464.758   19.455  462.507   18.791   58.690   1.2342   58.556   1.1948 0.1336288 1.717772 
1 1 1   14    6   48 o   33.953   0.9639  155.276   8.7902  153.636   12.155  157.075   12.727   33.726   1.3419   34.094   1.3898 -0.3682327 1.931878 
1 1 1   14    6   49 o   15.284   1.8275   32.153   7.3535   24.662   9.7074   42.239   11.264   13.139   2.8339   17.396   2.4811 -4.256241 3.766594 
1 1 1   14    6   50 o   46.813   0.9934  295.265   12.490  310.590   16.167  272.579   19.671   47.965   1.2549   44.854   1.6328 3.111778 2.059327 
1 1 1   14    6   51 o   44.943   0.8934  272.017   10.784  258.718   14.930  286.527   15.594   43.768   1.2700   46.062   1.2604 -2.294155 1.789300 
1 1 1   14    6   52 o   27.355   1.2169  101.062   8.9406  105.801   13.820   97.652   11.724   27.824   1.8600   26.779   1.6379 1.044861 2.478393 
1 1 1   14    6   53 o   33.165   1.1590  148.580   10.324  139.990   14.397  157.675   14.814   32.047   1.6784   34.071   1.6188 -2.023190 2.331843 
1 1 1   14    6   54 o   16.573   1.8240   37.946   7.9850   23.024   12.352   48.660   10.466   12.509   3.5251   18.709   2.1202 -6.199667 4.113592 
1 1 1   14    6   55 o   21.443   1.6521   63.119   9.4415   62.332   13.437   63.887   13.270   21.051   2.4205   21.340   2.3543 -0.2892551 3.376565 
1 1 1   14    6   56 o   18.507   2.0016   47.797   9.7910   67.856   15.060   33.111   12.886   21.822   2.6220   14.884   3.3091 6.938505 4.221928 
1 1 1   14    6   57 o   19.264   2.0999   52.173   10.689   40.120   18.138   58.586   13.231   15.884   4.1908   20.253   2.4844 -4.368937 4.871863 
1 1 1   14    6   58 o   12.444   3.6121   24.072   12.784   23.988   19.529   24.134   16.910   12.508   4.5244   12.441   4.2318 0.6708145E-01 6.195046 
1 1 1   14    7  -57 o   8.3742   3.7506  -2.9979   17.392   10.070   24.258 -16.8200   24.948   11.062   4.6947   8.7768   4.1280 2.284833 6.251464 
1 1 1   14    7  -56 o   20.201   2.8898   59.320   15.233   49.930   26.577   63.914   18.589   17.175   5.2635   20.652   3.4746 -3.476719 6.306914 
1 1 1   14    7  -55 o   31.894   1.7613  139.876   15.030  151.491   21.840  129.427   20.715   32.818   2.4964   30.279   2.5715 2.538572 3.583954 
1 1 1   14    7  -54 o   7.4960   3.1855   1.2900   11.193  -0.9046   16.005   3.3907   15.659   8.4902   3.7087   8.9852   3.7903 -0.4950342 5.302931 
1 1 1   14    7  -53 o   19.608   1.8257   52.908   9.5046   41.000   16.419   58.909   11.656   16.609   3.7672   20.611   2.1366 -4.002163 4.330914 
1 1 1   14    7  -52 o   29.731   1.0382  119.250   8.2909  119.054   11.172  119.491   12.370   29.651   1.4028   29.637   1.5594 0.1408005E-01 2.097540 
1 1 1   14    7  -51 o   49.154   0.9076  325.489   11.982  329.307   16.529  321.262   17.395   49.374   1.2464   48.747   1.3286 0.6262512 1.821733 
1 1 1   14    7  -50 o   17.630   1.5030   42.372   7.0493   43.804   10.396   41.154   9.5908   17.775   2.2264   17.248   2.1146 0.5272903 3.070548 
1 1 1   14    7  -49 o   13.537   1.8518   25.339   6.5564   24.969   9.4415   25.684   9.1116   13.236   2.7457   13.457   2.6150 -0.2212420 3.791763 
1 1 1   14    7  -48 o   33.290   0.9293  149.262   8.3093  167.620   11.862  131.573   11.644   35.237   1.2533   31.200   1.3894 4.036530 1.871178 
1 1 1   14    7  -47 o   24.876   1.0884   83.425   7.2719   85.180   10.734   81.936   9.8859   25.030   1.6052   24.565   1.5056 0.4648552 2.200779 
1 1 1   14    7  -46 o   12.304   1.9013   21.022   6.0805   34.102   9.0937   10.446   8.1775   15.667   2.2234   8.8912   2.9419 6.775875 3.687630 
1 1 1   14    7  -45 o   32.794   0.8595  144.736   7.5703  147.460   10.290  141.523   11.177   33.072   1.1584   32.385   1.2849 0.6870232 1.730023 
1 1 1   14    7  -44 o   32.492   0.8412  142.044   7.3414  143.355   10.133  140.596   10.651   32.614   1.1567   32.292   1.2281 0.3225746 1.687029 
1 1 1   14    7  -43 o   13.874   1.5864   26.341   5.8056   26.901   6.9331   25.027   10.620   13.968   1.8971   13.248   3.0480 0.7200098 3.590171 
1 1 1   14    7  -42 o   60.640   0.7955  494.525   12.957  487.633   19.456  500.018   17.369   60.161   1.2041   60.942   1.0611 -0.7811661 1.604920 
1 1 1   14    7  -41 o   26.391   0.9544   93.710   6.7652   94.233   9.9642   93.262   9.2145   26.397   1.4105   26.306   1.3041 0.9147835E-01 1.920992 
1 1 1   14    7  -40 o   44.681   0.8139  268.453   9.7673  274.743   14.833  263.638   12.978   45.164   1.2227   44.255   1.0918 0.9090805 1.639281 
1 1 1   14    7  -39 o   69.311   0.9485  646.242   17.659  650.177   32.384  644.576   21.066   69.386   1.7377   69.197   1.1334 0.1884460 2.074665 
1 1 1   14    7  -38 o   47.209   0.7372  299.581   9.3477  285.268   12.827  315.792   13.651   46.046   1.0372   48.446   1.0491 -2.399815 1.475204 
1 1 1   14    7  -37 o   41.820   0.7892  235.100   8.8641  237.108   11.470  232.121   13.968   41.984   1.0171   41.523   1.2524 0.4614754 1.613407 
1 1 1   14    7  -36 o   14.780   1.2737   29.623   5.0070   24.784   5.7252   45.363   10.325   13.464   1.6154   18.194   2.1548 -4.729747 2.693060 
1 1 1   14    7  -35 o   83.471   0.8454  936.553   18.954  937.191   26.652  935.900   26.961   83.463   1.1889   83.404   1.2035 0.5934906E-01 1.691737 
1 1 1   14    7  -34 o   47.765   0.7280  306.577   9.3391  307.965   12.936  305.066   13.496   47.860   1.0063   47.632   1.0550 0.2284927 1.457964 
1 1 1   14    7  -33 o   48.184   0.8605  312.021   11.136  311.125   14.108  313.503   18.140   48.104   1.0919   48.269   1.3992 -0.1650696 1.774834 
1 1 1   14    7  -32 o   35.433   0.7209  168.683   6.8607  160.749   9.1751  178.745   10.333   34.582   0.9878   36.464   1.0550 -1.882133 1.445256 
1 1 1   14    7  -31 o   74.617   0.8539  748.163   17.113  755.065   23.959  740.974   24.451   74.939   1.1904   74.234   1.2263 0.7051849 1.709043 
1 1 1   14    7  -30 o   26.265   0.8934   92.697   6.3025   94.450   8.6037   90.667   9.2584   26.505   1.2085   25.931   1.3338 0.5736370 1.799890 
1 1 1   14    7  -29 o   99.280   1.0778  1324.77   28.740  1265.26   42.692  1374.09   38.866   96.971   1.6391  101.079   1.4316 -4.107292 2.176279 
1 1 1   14    7  -28 o   68.639   0.9471  633.083   17.460  596.223   35.452  644.886   20.062   66.543   1.9836   69.270   1.0783 -2.726067 2.257719 
1 1 1   14    7  -27 o   37.320   0.8697  187.128   8.7172  166.908   16.514  194.937   10.264   35.221   1.7457   38.088   1.0033 -2.866405 2.013453 
1 1 1   14    7  -26 o  168.421   1.5158  3814.24   68.571  3761.44  107.817  3850.11   88.859  167.089   2.4024  169.139   1.9560 -2.049423 3.097970 
1 1 1   14    7  -25 o   92.711   1.0197  1154.91   25.391  1165.62   44.521  1149.75   30.910   93.089   1.7806   92.491   1.2443 0.5980759 2.172284 
1 1 1   14    7  -24 o   32.526   0.8120  142.116   7.0941  117.819   11.585  156.693   8.9734   29.605   1.4569   34.151   0.9783 -4.545485 1.754874 
1 1 1   14    7  -23 o   69.296   1.0233  645.159   19.046  655.980   22.505  617.848   35.754   69.870   1.1992   67.775   1.9641 2.094231 2.301274 
1 1 1   14    7  -22 o   59.740   0.8967  479.416   14.388  449.474   19.827  512.729   20.913   57.836   1.2763   61.772   1.2605 -3.936127 1.793853 
1 1 1   14    7  -21 o   82.925   1.0984  923.842   24.464  955.383   38.333  902.167   31.777   84.306   1.6929   81.934   1.4439 2.371300 2.225028 
1 1 1   14    7  -20 o  133.960   1.2503  2411.07   44.988  2409.83   63.556  2412.32   63.690  133.895   1.7673  133.964   1.7701 -0.6884766E-01 2.501266 
1 1 1   14    7  -19 o  109.751   1.0241  1618.09   30.189  1616.17   44.819  1619.68   40.843  109.668   1.5216  109.793   1.3850 -0.1248474 2.057537 
1 1 1   14    7  -18 o  130.868   1.1670  2300.78   41.022  2313.11   61.082  2290.66   55.366  131.192   1.7335  130.562   1.5788 0.6301880 2.344681 
1 1 1   14    7  -17 o   73.198   0.8495  719.668   16.701  718.906   23.345  720.466   23.902   73.154   1.1881   73.232   1.2152 -0.7878876E-01 1.699498 
1 1 1   14    7  -16 o  196.868   1.5784  5207.63   83.459  5141.12  117.065  5276.38  119.016  195.556   2.2288  198.111   2.2367 -2.555222 3.157560 
1 1 1   14    7  -15 o   48.829   0.6893  320.226   9.0407  331.419   12.736  308.857   12.835   49.673   0.9546   47.952   0.9966 1.720993 1.380016 
1 1 1   14    7  -14 o  157.543   1.2961  3334.22   54.844  3254.64   76.416  3418.76   78.759  155.628   1.8281  159.503   1.8384 -3.875168 2.592633 
1 1 1   14    7  -13 o  191.074   1.6809  4905.46   86.266  5050.18  138.514  4813.76  110.261  193.800   2.6610  189.249   2.1692 4.551575 3.433138 
1 1 1   14    7  -12 o   93.897   0.9560  1184.22   24.112  1163.82   37.582  1198.50   31.433   93.074   1.5034   94.457   1.2390 -1.382126 1.948120 
1 1 1   14    7  -11 o  141.655   1.1845  2695.39   45.066  2680.47   63.516  2710.52   63.953  141.246   1.6742  142.036   1.6764 -0.7894745 2.369228 
1 1 1   14    7  -10 o  214.551   1.7056  6184.66   98.290  6233.62  139.688  6136.65  138.329  215.350   2.4150  213.669   2.4104 1.681244 3.412062 
1 1 1   14    7   -9 o   44.691   0.8538  268.252   10.248  273.075   12.293  257.261   18.559   45.090   1.0150   43.760   1.5790 1.329823 1.877098 
1 1 1   14    7   -8 o  138.708   1.4265  2584.59   53.146  2537.81   60.637  2739.59  110.380  137.440   1.6426  142.742   2.8790 -5.301636 3.314674 
1 1 1   14    7   -7 o  122.669   1.1550  2021.21   38.054  2042.97   49.463  1989.65   59.567  123.319   1.4933  121.690   1.8225 1.629364 2.356139 
1 1 1   14    7   -6 o   90.474   0.9845  1099.43   23.924  1116.15   29.558  1067.67   40.739   91.156   1.2072   89.146   1.7014 2.010811 2.086227 
1 1 1   14    7   -5 o  111.555   1.2029  1671.59   36.041  1657.46   41.596  1714.13   72.194  111.079   1.3942  112.934   2.3800 -1.854210 2.758332 
1 1 1   14    7   -4 o  227.361   1.9704  6945.81  120.325  6845.94  168.721  7049.17  171.646  225.662   2.7837  228.986   2.7908 -3.324463 3.941773 
1 1 1   14    7   -3 o  138.193   1.2702  2565.23   47.146  2588.04   67.063  2542.95   66.293  138.791   1.7990  137.577   1.7940 1.214050 2.540660 
1 1 1   14    7   -2 o  305.923   2.6113 12580.00  214.563 12922.75  345.222 12364.27  273.887  309.848   4.1482  303.198   3.3632 6.650452 5.340273 
1 1 1   14    7   -1 o  270.946   2.2158  9865.28  161.255  9857.45  239.156  9871.81  218.358  270.732   3.2889  270.962   3.0003 -0.2296143 4.451826 
1 1 1   14    7    0 f  296.670   2.3136 11828.19  184.355 11901.74  261.825 11755.87  259.625  297.485   3.2768  295.658   3.2694 1.827667 4.628872 
1 1 1   14    7    1 o  137.094   1.2038  2524.55   44.327  2573.74   66.559  2485.35   59.422  138.407   1.7904  136.015   1.6266 2.392471 2.418945 
1 1 1   14    7    2 o   77.820   0.8600  813.362   17.975  810.780   25.607  815.870   25.238   77.692   1.2271   77.936   1.2057 -0.2437592 1.720328 
1 1 1   14    7    3 o  180.437   1.4576  4373.57   70.639  4479.45  101.365  4273.60   98.494  182.582   2.0670  178.337   2.0562 4.244080 2.915583 
1 1 1   14    7    4 o   90.984   0.9886  1111.86   24.160  1092.82   36.146  1127.24   32.482   90.194   1.4921   91.606   1.3202 -1.412178 1.992249 
1 1 1   14    7    5 o  235.727   1.8606  7465.98  117.801  7485.08  166.907  7447.01  166.286  235.972   2.6334  235.372   2.6303 0.6005859 3.722029 
1 1 1   14    7    6 o  173.576   1.4706  4047.35   68.561  4095.88   93.569  3991.08  100.749  174.591   1.9953  172.334   2.1766 2.257263 2.952781 
1 1 1   14    7    7 o  152.511   1.2599  3124.36   51.610  3167.84   73.605  3082.31   72.385  153.551   1.7847  151.464   1.7793 2.086868 2.520117 
1 1 1   14    7    8 o  154.243   1.2724  3195.75   52.712  3193.57   74.498  3197.94   74.593  154.172   1.7991  154.277   1.8001 -0.1052246 2.545019 
1 1 1   14    7    9 o  225.084   1.9525  6807.67  118.040  6895.03  153.667  6681.92  184.361  226.481   2.5261  222.902   3.0794 3.578796 3.982950 
1 1 1   14    7   10 o   23.815   0.8820   76.174   5.6416   74.561   7.4900   78.290   8.5768   23.530   1.1890   24.105   1.3299 -0.5747604 1.783888 
1 1 1   14    7   11 o  207.568   1.7294  5788.80   96.418  5772.39  130.263  5808.70  143.391  207.232   2.3403  207.865   2.5683 -0.6323090 3.474667 
1 1 1   14    7   12 o  113.227   1.2194  1722.15   37.085  1786.23   53.333  1662.16   51.602  115.300   1.7221  111.224   1.7273 4.076614 2.439148 
1 1 1   14    7   13 o   69.382   0.9266  646.586   17.267  641.820   21.577  655.073   28.795   69.123   1.1622   69.827   1.5353 -0.7038803 1.925581 
1 1 1   14    7   14 o  251.670   2.1707  8513.43  146.731  8508.33  189.313  8521.11  232.214  251.522   2.8023  251.619   3.4360 -0.9684753E-01 4.433838 
1 1 1   14    7   15 o   40.327   0.8343  218.430   9.0367  235.716   13.440  204.169   12.208   41.889   1.1946   38.986   1.1659 2.903542 1.669213 
1 1 1   14    7   16 o  125.618   1.1307  2119.75   38.150  2118.12   51.584  2121.72   56.680  125.556   1.5296  125.656   1.6794 -0.1004105 2.271606 
1 1 1   14    7   17 o  174.109   1.4800  4073.03   69.212  4116.00  103.180  4037.88   93.322  174.973   2.1955  173.320   2.0047 1.652863 2.973047 
1 1 1   14    7   18 o   98.061   0.9553  1291.67   25.160  1293.47   34.040  1289.49   37.355   98.120   1.2916   97.965   1.4197 0.1551208 1.919301 
1 1 1   14    7   19 o   92.488   0.9199  1149.03   22.851  1141.96   30.774  1157.71   34.116   92.195   1.2428   92.824   1.3684 -0.6295242 1.848495 
1 1 1   14    7   20 o   74.861   0.8286  752.773   16.661  743.786   24.439  760.576   22.773   74.404   1.2229   75.242   1.1269 -0.8376007 1.662951 
1 1 1   14    7   21 o  225.200   1.7899  6817.87  108.265  6832.62  167.726  6807.33  141.750  225.281   2.7719  224.943   2.3462 0.3382111 3.631551 
1 1 1   14    7   22 o   96.871   0.9929  1260.68   25.833  1328.27   41.524  1218.00   32.996   99.408   1.5552   95.206   1.2904 4.202797 2.020817 
1 1 1   14    7   23 o   70.183   0.7786  661.658   14.676  656.958   22.327  665.235   19.475   69.922   1.1888   70.366   1.0304 -0.4440689 1.573255 
1 1 1   14    7   24 o   97.716   1.0003  1282.88   26.253  1286.33   37.022  1279.40   37.233   97.825   1.4090   97.560   1.4209 0.2647018 2.001070 
1 1 1   14    7   25 o   37.540   0.7414  189.314   7.4756  193.542   10.335  184.675   10.826   37.953   1.0139   37.072   1.0872 0.8810158 1.486622 
1 1 1   14    7   26 o   91.104   0.8795  1115.12   21.522  1148.57   30.698  1082.79   30.181   92.441   1.2364   89.754   1.2520 2.687012 1.759551 
1 1 1   14    7   27 o   27.304   0.8378  100.164   6.1444   97.291   8.3076  103.633   9.1294   26.905   1.1496   27.766   1.2241 -0.8615818 1.679331 
1 1 1   14    7   28 o   56.435   0.7647  427.887   11.591  427.054   16.740  428.655   16.065   56.368   1.1057   56.476   1.0591 -0.1074867 1.531099 
1 1 1   14    7   29 o   55.896   0.8187  419.789   12.291  412.239   17.824  426.633   16.971   55.376   1.1984   56.338   1.1216 -0.9620628 1.641363 
1 1 1   14    7   30 o   48.043   0.7994  310.122   10.315  297.898   15.667  319.474   13.704   47.070   1.2392   48.753   1.0465 -1.682995 1.621992 
1 1 1   14    7   31 o   88.406   0.9064  1050.32   21.522  1058.14   31.648  1043.59   29.354   88.700   1.3284   88.096   1.2405 0.6039658 1.817592 
1 1 1   14    7   32 o   21.761   0.9901   63.654   5.7872   62.051   7.7702   65.650   8.6726   21.435   1.3567   22.039   1.4736 -0.6045837 2.002980 
1 1 1   14    7   33 o   53.537   0.7461  385.138   10.728  378.993   14.871  391.807   15.492   53.094   1.0428   53.983   1.0685 -0.8886032 1.493016 
1 1 1   14    7   34 o   30.405   0.9075  124.264   7.4109  130.425   9.4692  114.526   11.905   31.141   1.1321   29.125   1.5272 2.016592 1.901073 
1 1 1   14    7   35 o   29.111   0.9438  113.939   7.3796  114.532   9.3041  112.932   12.117   29.177   1.1872   28.912   1.5663 0.2656059 1.965387 
1 1 1   14    7   36 o   12.485   2.0005   21.571   6.4817   31.568   7.8585   0.2988   11.463   15.164   1.9765   7.5879   3.2241 7.575753 3.781731 
1 1 1   14    7   37 o   33.145   0.9575  147.754   8.5244  156.747   11.546  136.976   12.639   34.121   1.2598   31.882   1.4760 2.239420 1.940535 
1 1 1   14    7   38 o   28.830   0.9768  111.808   7.5639  117.280   9.5949  102.824   12.294   29.514   1.2104   27.554   1.6690 1.959923 2.061713 
1 1 1   14    7   39 o   62.035   0.8514  517.512   14.187  497.297   19.458  540.454   20.728   60.772   1.1921   63.351   1.2182 -2.578472 1.704421 
1 1 1   14    7   40 o   50.499   0.8002  342.911   10.854  341.656   15.024  344.281   15.697   50.378   1.1104   50.566   1.1558 -0.1881104 1.602712 
1 1 1   14    7   41 o   29.942   0.9234  120.609   7.4257  127.879   10.231  112.515   10.795   30.809   1.2363   28.887   1.3913 1.922302 1.861275 
1 1 1   14    7   42 o   62.067   0.8381  518.156   13.972  525.391   19.070  509.771   20.529   62.458   1.1367   61.505   1.2427 0.9526863 1.684188 
1 1 1   14    7   43 o   40.777   0.7821  223.632   8.5660  214.335   11.264  236.381   13.191   39.897   1.0512   41.885   1.1725 -1.988037 1.574737 
1 1 1   14    7   44 o   93.178   1.0360  1169.27   25.929  1213.95   42.018  1141.79   32.951   94.736   1.6513   91.991   1.3336 2.744545 2.122587 
1 1 1   14    7   45 o   40.970   1.0635  226.164   11.704  231.280   18.618  222.821   15.049   41.331   1.6771   40.621   1.3793 0.7096710 2.171450 
1 1 1   14    7   46 o   32.621   0.9474  143.307   8.3005  137.688   11.450  149.532   12.051   31.931   1.3350   33.275   1.3484 -1.343292 1.897445 
1 1 1   14    7   47 o   38.484   0.8898  199.403   9.1971  213.422   12.916  184.982   13.100   39.770   1.2091   37.009   1.3178 2.761070 1.788472 
1 1 1   14    7   48 o   50.439   0.9032  342.592   12.237  334.681   16.069  353.510   18.879   49.801   1.2013   51.145   1.3743 -1.343792 1.825337 
1 1 1   14    7   49 o   20.584   1.3745   57.514   7.5552   59.364   10.138   55.204   11.331   20.829   1.8307   20.011   2.1413 0.8179970 2.817184 
1 1 1   14    7   50 o   22.646   1.3153   69.519   7.9659   64.728   10.865   75.085   11.713   21.742   1.8791   23.429   1.8772 -1.686825 2.656091 
1 1 1   14    7   51 o   35.181   1.0456  166.909   9.8805  144.651   14.579  185.819   13.437   32.606   1.6703   37.070   1.3496 -4.463806 2.147370 
1 1 1   14    7   52 o   38.516   1.1574  200.359   11.974  199.727   15.497  201.295   18.860   38.381   1.5033   38.445   1.8264 -0.6372452E-01 2.365536 
1 1 1   14    7   53 o   35.913   1.1226  174.282   10.829  175.365   15.311  173.198   15.318   35.914   1.5873   35.689   1.5980 0.2255516 2.252331 
1 1 1   14    7   54 o   34.211   1.4703  159.142   13.510  136.655   27.042  166.621   15.595   30.786   3.3230   34.945   1.6615 -4.159325 3.715261 
1 1 1   14    7   55 o   16.120   2.2363   36.685   9.4215   56.293   12.861   13.976   13.841   19.940   2.4531   10.392   3.8012 9.548617 4.524044 
1 1 1   14    7   56 o   22.540   2.1847   71.370   13.060   83.740   25.244   66.849   15.261   23.178   4.2101   21.566   2.6934 1.612026 4.997907 
1 1 1   14    7   57 o   9.1764   3.6943   8.2254   13.978   6.5106   18.188   10.700   21.849   9.6889   4.0859   10.807   4.5128 -1.117949 6.087727 
1 1 1   14    8  -56 o   11.194   4.2571   16.752   17.697   0.0000   0.0000   16.752   17.697  ?   ?    11.194   4.2571 0.000000 4.257138 
1 1 1   14    8  -55 o   8.4553   3.3554   6.7689   11.363  -8.7276   16.127   22.051   16.014   7.5446   3.4690   12.174   4.1183 -4.629849 5.384640 
1 1 1   14    8  -54 o   15.486   3.2063   35.440   12.897   42.237   19.027   29.662   17.542   16.474   4.2662   13.907   4.2785 2.567037 6.042083 
1 1 1   14    8  -53 o   25.379   1.9235   88.767   13.015   75.646   17.653  104.390   19.263   23.034   2.9189   27.228   2.6683 -4.194036 3.954704 
1 1 1   14    8  -52 o   38.388   1.0954  199.036   11.294  195.060   17.274  202.005   14.927   37.852   1.6991   38.593   1.4400 -0.7418518 2.227220 
1 1 1   14    8  -51 f   11.001   2.3354   17.220   6.6871   20.974   8.6269   11.569   10.585   12.085   2.7231   9.5317   3.3433 2.552993 4.311958 
1 1 1   14    8  -50 o   21.901   1.1803   64.937   6.9173   69.327   9.4755   59.929   10.122   22.562   1.5735   20.918   1.8196 1.643887 2.405583 
1 1 1   14    8  -49 f   4.6498   2.1136  -3.4133   5.7660 -10.7801   7.7491   5.7249   8.6306   4.5825   2.1962   7.7136   2.9635 -3.131072 3.688615 
1 1 1   14    8  -48 o   34.993   0.9554  164.964   8.9800  155.856   13.403  172.383   12.097   33.940   1.4702   35.730   1.2605 -1.789261 1.936602 
1 1 1   14    8  -47 o   23.947   1.1560   77.364   7.4352   85.739   11.079   70.500   10.029   25.098   1.6528   22.748   1.6527 2.349749 2.337323 
1 1 1   14    8  -46 o   17.576   1.2722   41.923   5.9651   46.241   8.1127   36.841   8.8011   18.400   1.6595   16.327   2.0524 2.072977 2.639307 
1 1 1   14    8  -45 o   41.188   0.8093  228.290   8.9528  231.782   12.344  224.413   13.005   41.464   1.1084   40.788   1.1871 0.6759872 1.624057 
1 1 1   14    8  -44 o   43.454   0.8229  254.083   9.6038  254.999   12.581  252.805   14.867   43.502   1.0768   43.284   1.2788 0.2174377 1.671726 
1 1 1   14    8  -43 o   63.524   0.8362  542.920   14.266  542.603   18.884  543.341   21.775   63.461   1.1079   63.470   1.2773 -0.9304047E-02 1.690839 
1 1 1   14    8  -42 o   51.420   0.8891  355.757   12.279  350.146   16.499  362.723   18.383   50.972   1.2052   51.861   1.3197 -0.8891640 1.787194 
1 1 1   14    8  -41 o   15.133   1.4675   31.190   5.8898   41.297   9.1322   23.991   7.7070   17.347   1.9965   13.108   2.2713 4.238668 3.024051 
1 1 1   14    8  -40 o   66.193   0.7889  589.198   14.026  601.446   19.710  576.632   19.964   66.837   1.0980   65.438   1.1359 1.399101 1.579777 
1 1 1   14    8  -39 o   45.131   0.7576  273.848   9.1830  278.649   12.858  268.850   13.119   45.501   1.0521   44.690   1.0930 0.8111496 1.517085 
1 1 1   14    8  -38 f   48.269   0.8687  313.347   11.263  299.155   18.985  321.055   13.991   47.097   1.5008   48.842   1.0665 -1.744873 1.841159 
1 1 1   14    8  -37 o   57.516   0.7944  444.758   12.273  445.729   16.174  443.439   18.842   57.555   1.0463   57.387   1.2224 0.1682281 1.609039 
1 1 1   14    8  -36 o   84.071   0.8948  950.420   20.205  927.798   26.710  980.680   30.892   83.022   1.1978   85.329   1.3479 -2.306892 1.803222 
1 1 1   14    8  -35 o   38.060   0.7845  194.715   8.0193  208.037   10.426  175.416   12.549   39.331   0.9870   36.097   1.2943 3.233524 1.627650 
1 1 1   14    8  -34 o   21.576   0.8621   62.576   4.9962   65.096   6.4828   58.889   7.8406   21.999   1.0971   20.867   1.4072 1.132702 1.784338 
1 1 1   14    8  -33 o   84.195   0.8482  952.782   19.181  986.913   27.326  919.634   26.929   85.656   1.1877   82.682   1.2126 2.973999 1.697408 
1 1 1   14    8  -32 o   37.063   0.8791  184.620   8.7509  191.768   10.765  170.697   15.025   37.766   1.0613   35.606   1.5711 2.159832 1.895952 
1 1 1   14    8  -31 o   95.087   0.9413  1215.24   24.041  1178.93   31.897  1263.01   36.581   93.624   1.2685   96.888   1.4057 -3.264526 1.893399 
1 1 1   14    8  -30 o  101.924   1.0225  1396.39   27.992  1348.02   38.558  1450.28   40.702  100.100   1.4341  103.824   1.4596 -3.724045 2.046231 
1 1 1   14    8  -29 o  105.415   1.1114  1493.80   31.468  1531.47   42.937  1450.10   46.251  106.693   1.4983  103.799   1.6589 2.893967 2.235415 
1 1 1   14    8  -28 o   86.765   0.9488  1011.68   22.111  1026.59   35.645  1002.34   28.191   87.357   1.5192   86.346   1.2155 1.011307 1.945624 
1 1 1   14    8  -27 o   94.013   1.0295  1187.85   25.996  1211.73   45.330  1176.14   31.733   94.885   1.7787   93.532   1.2632 1.353081 2.181596 
1 1 1   14    8  -26 o  133.587   1.2530  2399.00   44.957  2392.63   63.401  2405.45   63.758  133.342   1.7703  133.698   1.7755 -0.3559723 2.507221 
1 1 1   14    8  -25 o   65.789   1.0220  581.622   18.060  580.298   28.113  582.553   23.566   65.685   1.5935   65.828   1.3328 -0.1423340 2.077419 
1 1 1   14    8  -24 o   65.671   0.8414  579.386   14.841  588.442   21.098  570.515   20.882   66.169   1.1871   65.153   1.1933 1.016029 1.683183 
1 1 1   14    8  -23 o   53.985   0.8774  391.536   12.722  386.343   20.038  395.044   16.467   53.611   1.3916   54.220   1.1308 -0.6090202 1.793086 
1 1 1   14    8  -22 o  167.853   1.7954  3789.08   80.943  3869.94  125.454  3731.41  105.944  169.473   2.7561  166.484   2.3693 2.988693 3.634482 
1 1 1   14    8  -21 o  187.589   1.5825  4730.48   79.735  4759.65  118.779  4706.56  107.576  188.054   2.3516  187.037   2.1414 1.017059 3.180503 
1 1 1   14    8  -20 o   56.090   0.7693  422.601   11.590  403.388   14.817  452.892   18.605   54.796   1.0067   58.057   1.1931 -3.260807 1.561095 
1 1 1   14    8  -19 o  130.376   1.1125  2283.66   38.958  2298.97   55.229  2268.51   54.961  130.786   1.5722  129.917   1.5751 0.8695221 2.225458 
1 1 1   14    8  -18 o   63.660   0.8484  544.354   14.506  536.257   19.150  555.255   22.220   63.179   1.1285   64.285   1.2869 -1.105770 1.711627 
1 1 1   14    8  -17 o   24.407   0.7892   80.016   5.1736   79.717   7.0255   80.370   7.6470   24.360   1.0738   24.459   1.1640 -0.9898376E-01 1.583654 
1 1 1   14    8  -16 o  139.680   1.1747  2621.08   44.071  2607.87   62.111  2634.47   62.544  139.303   1.6600  140.012   1.6631 -0.7085876 2.349833 
1 1 1   14    8  -15 o  186.121   1.5010  4654.61   75.034  4723.41  107.026  4588.11  105.225  187.442   2.1258  184.738   2.1206 2.703552 3.002711 
1 1 1   14    8  -14 o   43.343   0.6913  252.316   8.0474  256.170   11.212  248.223   11.557   43.671   0.9559   42.987   1.0009 0.6831284 1.384072 
1 1 1   14    8  -13 o   72.938   0.7665  714.540   15.017  716.591   21.150  712.454   21.326   73.039   1.0781   72.827   1.0902 0.2113342 1.533259 
1 1 1   14    8  -12 o   83.290   0.8568  931.785   19.168  898.930   27.903  961.144   26.377   81.802   1.2700   84.587   1.1610 -2.785545 1.720700 
1 1 1   14    8  -11 o   56.121   0.8569  423.039   12.917  430.067   18.149  415.824   18.388   56.582   1.1942   55.637   1.2305 0.9453011 1.714715 
1 1 1   14    8  -10 o   57.889   0.7769  450.093   12.080  427.846   15.180  488.512   19.948   56.438   1.0014   60.304   1.2316 -3.865948 1.587284 
1 1 1   14    8   -9 o   78.500   0.8307  827.652   17.516  829.051   23.616  825.942   26.114   78.562   1.1192   78.413   1.2399 0.1493454 1.670306 
1 1 1   14    8   -8 o  169.215   1.4393  3846.71   65.416  3844.39   88.549  3849.50   97.060  169.140   1.9492  169.241   2.1352 -0.1016541 2.891077 
1 1 1   14    8   -7 o  196.822   1.7259  5204.96   91.242  5190.50  143.913  5214.68  117.986  196.477   2.7271  196.973   2.2301 -0.4964294 3.522828 
1 1 1   14    8   -6 o   85.431   0.9031  980.278   20.722  986.014   26.970  972.013   32.376   85.677   1.1720   85.062   1.4171 0.6147690 1.838926 
1 1 1   14    8   -5 o  135.992   1.2557  2484.24   45.867  2540.50   59.921  2404.64   71.277  137.512   1.6224  133.771   1.9838 3.741119 2.562707 
1 1 1   14    8   -4 o  151.391   1.4461  3078.93   58.800  3069.41   78.884  3090.82   88.207  151.137   1.9432  151.653   2.1655 -0.5155945 2.909576 
1 1 1   14    8   -3 o  114.072   1.3117  1747.98   40.188  1725.05   53.059  1778.83   61.552  113.311   1.7434  115.055   1.9918 -1.744545 2.647019 
1 1 1   14    8   -2 o  217.106   1.8893  6333.42  110.170  6569.89  145.572  6016.42  168.548  221.081   2.4515  211.520   2.9668 9.561523 3.848577 
1 1 1   14    8   -1 o  113.333   1.1480  1725.29   34.944  1729.01   46.936  1720.67   52.343  113.446   1.5404  113.168   1.7221 0.2787323 2.310448 
1 1 1   14    8    0 f  245.208   2.1156  8080.19  139.332  8087.67  180.027  8069.01  220.027  245.267   2.7328  244.915   3.3448 0.3510742 4.319226 
1 1 1   14    8    1 o  162.716   1.4589  3556.79   63.758  3561.26   82.418  3550.14  100.616  162.800   1.8849  162.525   2.3049 0.2756500 2.977458 
1 1 1   14    8    2 o  168.695   1.5059  3823.07   68.233  3796.80   87.798  3863.15  108.428  168.095   1.9446  169.533   2.3812 -1.438370 3.074359 
1 1 1   14    8    3 o  164.572   1.4741  3638.47   65.161  3668.02   84.558  3595.26  102.242  165.221   1.9055  163.552   2.3274 1.669128 3.007953 
1 1 1   14    8    4 o  165.776   1.4833  3691.94   66.044  3693.42   85.297  3689.71  104.360  165.791   1.9155  165.685   2.3451 0.1065674 3.027967 
1 1 1   14    8    5 o  168.322   1.5033  3806.24   67.965  3888.37   88.807  3690.12  105.590  170.108   1.9437  165.691   2.3726 4.417053 3.067145 
1 1 1   14    8    6 o   79.117   0.8750  840.734   18.593  858.120   24.232  815.848   28.992   79.928   1.1288   77.931   1.3851 1.997505 1.786773 
1 1 1   14    8    7 o   83.669   0.9439  940.268   21.211  926.537   25.899  968.243   36.967   83.053   1.1610   84.892   1.6213 -1.839813 1.994124 
1 1 1   14    8    8 o   50.615   0.7966  344.087   10.830  343.230   13.290  345.779   18.684   50.551   0.9788   50.734   1.3712 -0.1834297 1.684698 
1 1 1   14    8    9 o  220.956   1.8317  6560.28  108.708  6554.33  147.102  6567.44  161.359  220.802   2.4804  220.999   2.7184 -0.1972809 3.679948 
1 1 1   14    8   10 o  194.193   1.5593  5066.62   81.329  5064.23  114.931  5069.02  115.103  194.105   2.2045  194.197   2.2068 -0.9159851E-01 3.119224 
1 1 1   14    8   11 o  190.636   1.5340  4882.71   78.543  4882.11  111.024  4883.31  111.130  190.582   2.1689  190.605   2.1707 -0.2319336E-01 3.068590 
1 1 1   14    8   12 o  285.668   2.2340 10970.12  171.410 11044.06  243.432 10897.41  241.401  286.488   3.1636  284.581   3.1582 1.907440 4.470178 
1 1 1   14    8   13 o   46.298   0.8078  287.897   10.045  286.212   13.457  290.018   15.094   46.159   1.0854   46.464   1.2095 -0.3045425 1.625109 
1 1 1   14    8   14 o  203.883   1.7863  5586.35   97.822  5629.62  155.109  5557.77  126.050  204.564   2.8230  203.313   2.3083 1.250748 3.646592 
1 1 1   14    8   15 o   24.654   1.0186   81.650   6.7453   87.924   9.6092   75.555   9.4710   25.543   1.4061   23.666   1.4977 1.876879 2.054307 
1 1 1   14    8   16 o  138.700   1.1711  2584.44   43.628  2604.83   61.931  2564.36   61.471  139.222   1.6562  138.137   1.6568 1.085907 2.342638 
1 1 1   14    8   17 o   98.100   0.9129  1292.70   24.055  1316.85   34.264  1269.22   33.778   99.001   1.2886   97.194   1.2939 1.806908 1.826102 
1 1 1   14    8   18 o  144.000   1.2613  2786.05   48.782  2812.88   72.550  2763.91   65.904  144.651   1.8673  143.398   1.7111 1.252747 2.532755 
1 1 1   14    8   19 o  105.793   1.0023  1503.56   28.480  1508.89   38.533  1497.14   42.281  105.967   1.3538  105.547   1.4914 0.4202499 2.014264 
1 1 1   14    8   20 o   94.729   0.9372  1205.49   23.847  1182.03   34.897  1226.04   32.662   93.785   1.3854   95.520   1.2731 -1.735207 1.881473 
1 1 1   14    8   21 o  116.579   1.0276  1825.93   32.177  1825.55   45.378  1826.31   45.633  116.543   1.4497  116.567   1.4575 -0.2360535E-01 2.055701 
1 1 1   14    8   22 o   31.237   0.7777  131.074   6.5251  129.620   8.8939  132.770   9.6025   31.060   1.0661   31.434   1.1374 -0.3740673 1.558905 
1 1 1   14    8   23 o  150.765   1.3773  3055.35   55.772  3004.09   77.954  3109.10   79.825  149.426   1.9423  152.014   1.9551 -2.587280 2.755889 
1 1 1   14    8   24 o   95.579   0.9082  1227.38   23.315  1252.68   36.132  1209.33   30.518   96.530   1.3936   94.858   1.1978 1.671989 1.837632 
1 1 1   14    8   25 o   82.098   0.8397  905.544   18.517  914.143   28.376  899.166   24.437   82.464   1.2811   81.796   1.1123 0.6685791 1.696625 
1 1 1   14    8   26 o   65.273   0.7998  572.405   14.022  563.471   20.423  580.371   19.286   64.746   1.1744   65.714   1.0927 -0.9677124 1.604101 
1 1 1   14    8   27 o   5.3217   2.1638   1.4504   4.8481  -8.3402   6.5356   13.430   7.2294   4.3329   2.0600   9.8178   2.6707 -5.484929 3.372868 
1 1 1   14    8   28 o   71.700   0.9403  690.849   18.109  670.386   28.494  704.716   23.455   70.594   1.5028   72.401   1.2062 -1.806496 1.926954 
1 1 1   14    8   29 o   47.912   0.7621  308.427   9.8068  310.899   13.974  306.028   13.766   48.092   1.0818   47.715   1.0742 0.3779335 1.524521 
1 1 1   14    8   30 o   56.783   0.7853  433.245   11.977  426.934   17.461  438.854   16.460   56.351   1.1536   57.137   1.0726 -0.7856979 1.575218 
1 1 1   14    8   31 o   33.771   0.7848  153.246   7.1188  151.475   9.6701  155.341   10.518   33.567   1.0726   33.989   1.1522 -0.4227524 1.574141 
1 1 1   14    8   32 o   63.395   0.7677  540.056   13.071  540.227   18.143  539.872   18.848   63.387   1.0657   63.364   1.1075 0.2380371E-01 1.536933 
1 1 1   14    8   33 o  115.262   1.0802  1786.56   33.442  1778.45   44.920  1796.65   50.090  114.937   1.4551  115.491   1.6148 -0.5541229 2.173655 
1 1 1   14    8   34 o  113.264   1.0700  1725.40   32.552  1737.50   44.005  1710.77   48.375  113.591   1.4423  112.679   1.5984 0.9119034 2.152949 
1 1 1   14    8   35 o   13.846   1.6935   26.235   6.1667   24.665   7.5348   29.422   10.732   13.337   2.1787   14.469   2.8629 -1.132488 3.597606 
1 1 1   14    8   36 o   55.417   0.8180  412.882   12.176  420.844   16.011  401.961   18.751   55.928   1.0658   54.637   1.2777 1.291008 1.663909 
1 1 1   14    8   37 o   37.374   0.8686  187.835   8.7197  189.700   11.085  184.807   14.123   37.544   1.0992   37.030   1.4200 0.5136261 1.795742 
1 1 1   14    8   38 f   16.944   1.3458   38.928   6.0743   41.543   7.8382   34.996   9.6111   17.460   1.6926   15.900   2.3187 1.559621 2.870774 
1 1 1   14    8   39 o   36.090   0.8641  175.177   8.3756  169.550   10.987  182.985   12.942   35.485   1.1527   36.850   1.3076 -1.365055 1.743153 
1 1 1   14    8   40 o   52.995   0.7916  377.670   11.267  386.823   15.666  367.862   16.217   53.602   1.0881   52.264   1.1553 1.338543 1.587048 
1 1 1   14    8   41 o   53.212   0.8257  380.841   11.801  388.614   16.001  371.570   17.475   53.719   1.1090   52.510   1.2390 1.209255 1.662838 
1 1 1   14    8   42 o   35.917   0.8336  173.534   8.0420  178.217   10.364  166.447   12.749   36.379   1.0607   35.127   1.3513 1.251682 1.717836 
1 1 1   14    8   43 o   54.510   0.9240  399.936   13.529  419.166   20.187  384.259   18.227   55.734   1.3486   53.377   1.2714 2.356846 1.853369 
1 1 1   14    8   44 o   24.320   1.2233   79.975   7.9653   79.167   10.941   80.886   11.618   24.120   1.6997   24.365   1.7879 -0.2450886 2.466892 
1 1 1   14    8   45 o   52.386   0.8281  369.336   11.652  367.862   16.305  370.876   16.659   52.227   1.1623   52.436   1.1828 -0.2095680 1.658326 
1 1 1   14    8   46 o   19.916   1.4568   53.921   7.7387   60.505   10.341   45.541   11.667   21.029   1.8496   18.077   2.4674 2.951488 3.083683 
1 1 1   14    8   47 o   5.5399   2.3905  -0.5476   6.4837  -0.8507   8.6748  -0.1641   9.7592   6.3657   2.7559   6.8748   2.9492 -0.5090976 4.036442 
1 1 1   14    8   48 o   17.878   1.4498   43.514   6.9017   42.218   9.4949   44.966   10.050   17.487   2.0611   18.042   2.1138 -0.5551834 2.952388 
1 1 1   14    8   49 f   33.193   0.9808  148.465   8.7440  151.351   12.076  145.284   12.677   33.464   1.3436   32.771   1.4403 0.6930428 1.969665 
1 1 1   14    8   50 o   17.966   1.5323   44.039   7.3234   47.103   10.181   40.753   10.542   18.465   2.0897   17.091   2.3593 1.373695 3.151696 
1 1 1   14    8   51 f   32.751   1.2349  144.968   10.863  138.544   14.203  154.023   16.863   31.894   1.6638   33.570   1.8777 -1.676249 2.508790 
1 1 1   14    8   52 o   31.222   1.1841  131.792   9.9297  133.182   13.980  130.376   14.106   31.241   1.6722   30.899   1.7063 0.3420219 2.389056 
1 1 1   14    8   53 o   13.828   2.7549   27.609   9.8724   16.431   16.776   33.532   12.211   11.344   4.1796   15.154   3.1045 -3.809213 5.206403 
1 1 1   14    8   54 o   10.763   3.1079   16.974   9.4864   27.520   12.553   2.9298   14.486   13.546   3.4429   8.5936   3.6365 4.952131 5.007731 
1 1 1   14    8   55 o   18.107   2.7432   47.403   12.924   52.810   17.953   41.589   18.619   18.621   3.7197   16.226   4.2291 2.395119 5.632196 
1 1 1   14    8   56 o   19.912   2.4295   56.699   12.724   48.804   18.787   63.389   17.294   17.545   4.0661   20.620   3.2287 -3.074917 5.192081 
1 1 1   14    8   57 o   13.839   3.2440   29.415   11.848   29.896   18.070   29.052   15.692   13.513   4.3677   13.425   4.0296 0.8821106E-01 5.942593 
1 1 1   14    9  -56 o   14.950   5.1157   38.660   24.713   0.0000   0.0000   38.660   24.713  ?   ?    14.950   5.1157 0.000000 5.115727 
1 1 1   14    9  -55 o   9.7584   3.9801   8.8571   16.467   0.0000   0.0000   8.8571   16.467  ?   ?    9.7584   3.9801 0.000000 3.980098 
1 1 1   14    9  -54 o   6.1584   2.8687  -9.1200   11.574 -12.6561   16.644  -5.8092   16.105   7.3207   3.4201   7.8486   3.5538 -0.5279531 4.932179 
1 1 1   14    9  -53 o   15.778   3.1346   36.584   12.816   41.005   17.672   31.678   18.614   16.338   4.0479   14.336   4.4069 2.001719 5.983833 
1 1 1   14    9  -52 f   26.714   1.8350   98.040   13.086  103.237   18.065   92.302   18.982   27.159   2.5047   25.533   2.8146 1.625692 3.767704 
1 1 1   14    9  -51 o   39.102   0.9957  206.286   10.458  220.919   13.901  187.205   15.874   40.403   1.2809   37.116   1.5923 3.287792 2.043570 
1 1 1   14    9  -50 o   16.100   1.7150   35.619   7.3023   34.866   9.6402   36.633   11.185   15.774   2.3469   16.080   2.6844 -0.3065767 3.565675 
1 1 1   14    9  -49 o   35.664   0.9546  171.403   9.1445  169.509   13.282  173.109   12.609   35.397   1.3970   35.786   1.3118 -0.3894310 1.916383 
1 1 1   14    9  -48 o   28.726   1.0335  111.246   7.9743  122.759   11.487  100.535   11.079   30.125   1.4196   27.206   1.5223 2.919050 2.081523 
1 1 1   14    9  -47 o   33.183   0.8900  148.285   7.9322  155.804   10.915  139.870   11.547   33.975   1.1961   32.171   1.3364 1.804337 1.793469 
1 1 1   14    9  -46 o   38.931   0.8605  204.064   8.9983  207.222   12.248  200.362   13.263   39.189   1.1636   38.516   1.2821 0.6734962 1.731427 
1 1 1   14    9  -45 o   15.013   1.4251   30.743   5.6775   24.739   7.4426   39.098   8.7805   13.307   2.1561   16.841   1.9789 -3.534066 2.926566 
1 1 1   14    9  -44 o   34.519   0.8656  160.407   8.0257  156.039   10.232  167.391   12.939   34.019   1.1198   35.200   1.3685 -1.181175 1.768289 
1 1 1   14    9  -43 o   35.574   0.9265  170.379   8.8525  173.090   12.317  167.482   12.733   35.814   1.2804   35.221   1.3459 0.5937996 1.857671 
1 1 1   14    9  -42 o   28.634   0.9831  110.396   7.5609  117.445   10.640  103.204   10.747   29.501   1.3428   27.605   1.4546 1.895657 1.979571 
1 1 1   14    9  -41 o   32.439   0.8922  141.599   7.7734  153.535   10.628  127.868   11.399   33.755   1.1722   30.784   1.3786 2.970331 1.809632 
1 1 1   14    9  -40 f   25.348   0.8998   86.451   6.1259   81.868   8.3708   91.737   8.9890   24.612   1.2706   26.087   1.2829 -1.474594 1.805634 
1 1 1   14    9  -39 o   40.340   0.7645  218.817   8.2838  227.877   11.343  208.464   12.126   41.146   1.0264   39.343   1.1475 1.802872 1.539587 
1 1 1   14    9  -38 o   30.705   0.8249  126.792   6.8028  132.346   9.3229  120.467   9.9490   31.353   1.1071   29.903   1.2387 1.449541 1.661323 
1 1 1   14    9  -37 o   39.413   0.9377  208.968   9.9262  208.859   14.824  209.057   13.365   39.361   1.4022   39.394   1.2631 -0.3283310E-01 1.887193 
1 1 1   14    9  -36 o   36.307   0.8063  177.234   7.8630  180.437   9.9278  171.844   12.880   36.621   1.0093   35.713   1.3427 0.9079933 1.679783 
1 1 1   14    9  -35 o   7.2805   2.0041   7.3864   4.0428   8.4230   4.5940   3.8278   8.5118   7.7700   2.1353   7.2965   2.9013 0.4735785 3.602411 
1 1 1   14    9  -34 o   25.459   0.8516   87.143   5.8235   85.541   7.2114   90.146   9.8733   25.216   1.0647   25.830   1.4287 -0.6131096 1.781814 
1 1 1   14    9  -33 o   33.666   0.7454  152.328   6.7401  152.356   8.9847  152.292   10.193   33.660   0.9938   33.646   1.1279 0.1348495E-01 1.503282 
1 1 1   14    9  -32 o   85.682   0.8516  986.771   19.598  964.088   27.168  1011.38   28.297   84.656   1.1949   86.704   1.2151 -2.048874 1.704153 
1 1 1   14    9  -31 o   72.662   0.9273  709.699   18.097  717.713   23.688  698.465   28.045   73.047   1.2073   72.036   1.4495 1.011116 1.886461 
1 1 1   14    9  -30 o   41.307   0.8897  229.323   9.8707  228.552   15.556  229.842   12.771   41.214   1.4053   41.343   1.1501 -0.1293869 1.815917 
1 1 1   14    9  -29 o   48.642   0.7094  317.893   9.2682  321.488   12.072  312.731   14.465   48.909   0.9190   48.229   1.1166 0.6794014 1.446138 
1 1 1   14    9  -28 o   56.613   0.8451  430.676   12.850  420.187   15.623  452.619   22.596   55.911   1.0403   58.004   1.4504 -2.092999 1.784896 
1 1 1   14    9  -27 o   83.210   0.8669  930.392   19.374  933.379   24.096  924.929   32.586   83.330   1.0766   82.920   1.4631 0.4096909 1.816514 
1 1 1   14    9  -26 o  121.363   1.1562  1979.98   37.690  1953.29   52.408  2008.56   54.242  120.486   1.6195  122.174   1.6530 -1.687927 2.314084 
1 1 1   14    9  -25 o  114.184   1.0116  1752.16   31.024  1766.68   40.518  1731.59   48.233  114.628   1.3160  113.454   1.5828 1.173943 2.058466 
1 1 1   14    9  -24 o   85.811   0.8368  989.336   19.286  945.382   26.440  1039.31   28.193   83.865   1.1738   87.932   1.1937 -4.066368 1.674147 
1 1 1   14    9  -23 o  102.864   0.9400  1421.71   25.972  1396.88   36.290  1447.78   37.186  101.936   1.3255  103.776   1.3341 -1.839737 1.880620 
1 1 1   14    9  -22 o   73.831   0.8052  732.297   15.967  704.964   22.945  757.961   22.234   72.426   1.1795   75.102   1.1022 -2.676552 1.614377 
1 1 1   14    9  -21 o   38.914   0.8083  203.427   8.4478  199.518   11.614  207.818   12.310   38.533   1.1222   39.325   1.1655 -0.7923775 1.617926 
1 1 1   14    9  -20 o   50.038   0.7395  336.330   9.9391  346.648   14.714  327.671   13.479   50.793   1.0786   49.384   1.0162 1.408504 1.481868 
1 1 1   14    9  -19 f   86.043   0.8386  994.525   19.381  952.466   26.773  1040.83   28.093   84.192   1.1840   88.011   1.1884 -3.818718 1.677519 
1 1 1   14    9  -18 o   93.014   0.8775  1162.19   21.923  1172.89   31.064  1151.57   30.944   93.428   1.2379   92.575   1.2445 0.8535461 1.755313 
1 1 1   14    9  -17 o   74.433   0.8124  744.203   16.241  735.534   21.854  754.899   24.274   73.992   1.0996   74.956   1.2057 -0.9646149 1.631845 
1 1 1   14    9  -16 o   64.453   0.7385  557.988   12.784  564.990   18.076  550.981   18.083   64.851   1.0377   64.042   1.0513 0.8093643 1.477191 
1 1 1   14    9  -15 o   61.209   0.7263  503.221   11.941  522.545   16.960  484.228   16.814   62.369   1.0124   60.038   1.0427 2.330761 1.453336 
1 1 1   14    9  -14 o   18.793   1.0199   47.585   5.1289   47.355   6.4813   47.970   8.3891   18.729   1.2964   18.818   1.6774 -0.8884811E-01 2.119941 
1 1 1   14    9  -13 o   85.004   0.8732  970.573   19.937  974.147   26.955  966.257   29.624   85.154   1.1785   84.805   1.3005 0.3487473 1.755082 
1 1 1   14    9  -12 o  150.433   1.3059  3040.36   52.764  3125.84   72.516  2944.19   76.918  152.507   1.7703  147.999   1.9350 4.508163 2.622626 
1 1 1   14    9  -11 o   56.753   0.7904  432.609   12.048  412.415   16.670  454.692   17.432   55.408   1.1201   58.179   1.1155 -2.770779 1.580842 
1 1 1   14    9  -10 o   82.471   0.9409  913.584   20.842  957.588   31.710  880.114   27.655   84.424   1.3984   80.940   1.2721 3.484261 1.890440 
1 1 1   14    9   -9 o   81.385   0.9386  889.681   20.517  953.034   36.586  860.615   24.781   84.218   1.6174   80.041   1.1527 4.176964 1.986103 
1 1 1   14    9   -8 o   69.357   0.7573  646.091   14.108  663.778   20.129  629.013   19.779   70.296   1.0661   68.430   1.0762 1.865723 1.514807 
1 1 1   14    9   -7 o   84.785   0.8648  965.515   19.693  969.598   29.462  962.218   26.477   84.956   1.2911   84.635   1.1647 0.3214035 1.738869 
1 1 1   14    9   -6 f  123.258   1.2287  2040.89   40.677  2082.90   71.602  2020.86   49.427  124.485   2.1415  122.644   1.5005 1.841049 2.614840 
1 1 1   14    9   -5 o  175.592   1.5614  4142.51   73.639  4084.20  115.672  4182.24   95.490  174.293   2.4709  176.406   2.0154 -2.112579 3.188588 
1 1 1   14    9   -4 o  168.810   1.4376  3828.43   65.182  3822.73   96.665  3833.19   88.269  168.647   2.1340  168.889   1.9459 -0.2422180 2.887980 
1 1 1   14    9   -3 o   78.906   0.9790  836.297   20.748  854.416   26.587  808.079   33.179   79.753   1.2412   77.553   1.5928 2.199615 2.019312 
1 1 1   14    9   -2 o  192.601   1.6938  4984.22   87.623  4995.64  113.348  4967.27  138.132  192.789   2.1890  192.201   2.6758 0.5880127 3.457063 
1 1 1   14    9   -1 o   68.952   0.7479  638.550   13.851  622.028   19.485  655.426   19.693   68.050   1.0661   69.854   1.0496 -1.803185 1.496059 
1 1 1   14    9    0 o   45.383   0.6888  276.618   8.3962  269.168   12.012  283.737   11.741   44.765   0.9990   45.961   0.9511 -1.195847 1.379346 
1 1 1   14    9    1 o  128.085   1.0940  2203.68   37.637  2228.84   53.618  2179.23   52.845  128.801   1.5499  127.359   1.5448 1.441566 2.188300 
1 1 1   14    9    2 o   94.997   0.9253  1212.12   23.608  1232.92   35.454  1195.54   31.644   95.800   1.3779   94.339   1.2488 1.460564 1.859604 
1 1 1   14    9    3 o  255.065   2.0048  8743.25  137.345  8772.30  194.658  8714.46  193.816  255.397   2.8377  254.554   2.8348 0.8431549 4.011032 
1 1 1   14    9    4 o   64.768   0.7346  563.407   12.780  563.693   18.220  563.129   17.930   64.781   1.0472   64.749   1.0310 0.3219604E-01 1.469535 
1 1 1   14    9    5 o  157.234   1.3528  3321.26   57.132  3304.48   77.132  3341.66   85.038  156.815   1.8313  157.685   2.0079 -0.8700104 2.717547 
1 1 1   14    9    6 f  142.181   1.4575  2715.94   55.658  2725.41   70.639  2700.42   90.387  142.412   1.8468  141.728   2.3744 0.6840057 3.008048 
1 1 1   14    9    7 o  229.263   1.9876  7064.13  122.392  7127.29  158.977  6972.23  191.776  230.226   2.5709  227.637   3.1366 2.588715 4.055593 
1 1 1   14    9    8 o   53.197   0.7663  380.090   10.949  382.979   15.816  377.430   15.172   53.395   1.1028   53.008   1.0657 0.3877831 1.533544 
1 1 1   14    9    9 o   72.504   0.8866  706.088   17.265  711.285   21.376  696.334   29.284   72.767   1.0937   71.990   1.5145 0.7769775 1.868093 
1 1 1   14    9   10 o   24.742   0.8630   82.223   5.7348   82.769   7.9256   81.623   8.3084   24.822   1.1888   24.617   1.2608 0.2051029 1.732884 
1 1 1   14    9   11 o   64.209   0.8046  553.748   13.876  563.132   19.941  544.939   19.321   64.746   1.1467   63.691   1.1294 1.054176 1.609504 
1 1 1   14    9   12 o  129.413   1.2127  2249.91   42.151  2316.74   67.526  2207.25   53.954  131.286   1.9150  128.165   1.5673 3.121567 2.474598 
1 1 1   14    9   13 o  246.600   2.1299  8176.02  141.076  8170.44  222.797  8179.75  182.272  246.306   3.3678  246.563   2.7523 -0.2563019 4.349393 
1 1 1   14    9   14 o   62.273   0.9233  520.909   15.443  521.886   21.795  519.923   21.885   62.325   1.3020   62.207   1.3098 0.1174965 1.846840 
1 1 1   14    9   15 o   79.503   0.8842  849.042   18.881  840.099   26.628  858.082   26.775   79.075   1.2538   79.917   1.2474 -0.8420181 1.768565 
1 1 1   14    9   16 o   78.692   0.8844  831.808   18.693  837.581   26.352  825.962   26.521   78.955   1.2426   78.405   1.2594 0.5500717 1.769225 
1 1 1   14    9   17 o  145.879   1.2217  2859.33   47.869  2861.42   67.635  2857.24   67.758  145.896   1.7260  145.790   1.7304 0.1068420 2.444021 
1 1 1   14    9   18 o  125.367   1.0849  2111.60   36.531  2139.55   51.943  2084.25   51.385  126.167   1.5328  124.525   1.5363 1.641243 2.170232 
1 1 1   14    9   19 f  201.498   1.6885  5458.78   91.383  5605.79  137.708  5343.10  122.154  204.053   2.5126  199.258   2.2824 4.794724 3.394522 
1 1 1   14    9   20 o  112.065   1.0003  1687.31   30.108  1678.55   42.353  1696.25   42.807  111.750   1.4111  112.337   1.4187 -0.5870514 2.000985 
1 1 1   14    9   21 o   4.3881   1.9579  -1.9909   4.6924  -3.2145   6.3222  -0.4902   7.0018   4.9954   2.2474   5.8266   2.4988 -0.8312135 3.360766 
1 1 1   14    9   22 o   55.971   0.7846  420.852   11.795  408.000   15.136  440.721   18.820   55.103   1.0227   57.264   1.2236 -2.160137 1.594710 
1 1 1   14    9   23 o   94.108   0.8945  1189.93   22.610  1190.45   31.830  1189.40   32.122   94.107   1.2593   94.065   1.2714 0.4235840E-01 1.789490 
1 1 1   14    9   24 o  102.152   0.9867  1402.23   27.073  1429.46   40.458  1380.15   36.433  103.101   1.4610  101.318   1.3388 1.782753 1.981634 
1 1 1   14    9   25 o  100.056   1.0745  1345.52   28.878  1360.93   49.775  1337.71   35.454  100.550   1.8430   99.745   1.3234 0.8057022 2.268953 
1 1 1   14    9   26 o   71.667   0.8633  690.134   16.619  691.515   28.634  689.432   20.407   71.700   1.4869   71.620   1.0609 0.7966614E-01 1.826520 
1 1 1   14    9   27 o   65.429   0.8055  575.209   14.156  582.492   20.991  569.135   19.171   65.823   1.1873   65.069   1.0969 0.7538376 1.616464 
1 1 1   14    9   28 o   29.780   0.8477  119.175   6.7806  109.899   9.4024  129.226   9.7875   28.589   1.2245   31.002   1.1754 -2.413626 1.697325 
1 1 1   14    9   29 o   78.162   0.8220  820.943   17.256  816.954   24.124  825.124   24.693   77.949   1.1522   78.336   1.1736 -0.3870544 1.644685 
1 1 1   14    9   30 o   28.661   0.8437  110.395   6.4949  107.972   8.6840  113.471   9.7846   28.337   1.1410   29.045   1.2542 -0.7087765 1.695558 
1 1 1   14    9   31 o  128.912   1.1683  2235.03   40.451  2250.68   54.740  2216.21   60.037  129.284   1.5764  128.252   1.7429 1.031952 2.350036 
1 1 1   14    9   32 o   54.926   0.8253  405.483   12.176  416.659   15.464  387.253   19.750   55.665   1.0343   53.639   1.3709 2.026249 1.717286 
1 1 1   14    9   33 o   16.263   1.2770   35.815   5.5329   34.973   6.9964   37.221   9.0402   16.024   1.6491   16.470   2.0907 -0.4459076 2.662802 
1 1 1   14    9   34 o   97.251   1.0811  1272.39   28.239  1265.99   41.958  1277.69   38.182   96.902   1.6121   97.383   1.4598 -0.4809952 2.174790 
1 1 1   14    9   35 o   38.312   0.8010  197.328   8.2419  210.449   11.188  181.754   12.188   39.549   1.0532   36.742   1.2351 2.807823 1.623151 
1 1 1   14    9   36 o   18.229   1.1816   44.923   5.7541   42.500   7.4149   48.591   9.1232   17.680   1.5780   18.879   1.8218 -1.198561 2.410216 
1 1 1   14    9   37 o   53.826   0.8038  389.573   11.620  402.095   16.530  377.339   16.339   54.651   1.1261   52.939   1.1491 1.711781 1.608873 
1 1 1   14    9   38 o   20.664   1.1800   57.694   6.5219   59.228   8.0781   54.823   11.053   20.906   1.4475   20.010   2.0872 0.8965397 2.540045 
1 1 1   14    9   39 o   24.740   0.9904   82.370   6.5809   86.095   7.8719   73.723   11.993   25.283   1.1592   23.257   1.9375 2.025700 2.257837 
1 1 1   14    9   40 f   19.048   1.1463   49.048   5.8374   57.988   7.2520   32.595   9.8380   20.698   1.3113   15.284   2.4817 5.413912 2.806792 
1 1 1   14    9   41 o   37.169   0.8580  185.872   8.5656  186.477   11.359  185.073   13.041   37.204   1.1368   37.044   1.3107 0.1598167 1.735003 
1 1 1   14    9   42 o   33.544   0.9026  151.445   8.1326  152.102   11.148  150.697   11.891   33.585   1.2358   33.419   1.3247 0.1656799 1.811625 
1 1 1   14    9   43 o   43.970   0.9892  260.385   11.683  242.086   16.969  276.877   16.109   42.319   1.4929   45.289   1.3243 -2.970352 1.995600 
1 1 1   14    9   44 o   14.253   1.6858   27.901   6.3285   30.497   8.2737   24.241   9.8244   14.815   2.1413   13.020   2.8852 1.795182 3.592956 
1 1 1   14    9   45 o   21.383   1.3233   61.996   7.5626   64.111   9.4959   58.329   12.505   21.691   1.6421   20.536   2.3071 1.154995 2.831851 
1 1 1   14    9   46 o   29.869   1.0489  120.270   8.4148  117.515   11.052  124.071   12.979   29.481   1.3958   30.218   1.6049 -0.7370625 2.126958 
1 1 1   14    9   47 o   38.439   0.9015  198.998   9.3079  204.024   12.783  193.326   13.580   38.874   1.2243   37.822   1.3367 1.052143 1.812676 
1 1 1   14    9   48 o   24.242   1.2314   79.552   7.9914   71.901   11.322   87.147   11.281   22.925   1.8547   25.294   1.6699 -2.368975 2.495689 
1 1 1   14    9   49 o   7.0516   2.6382   5.2610   6.7337   12.945   9.5160  -2.4456   9.5298   9.7548   3.1710   6.4063   2.8279 3.348513 4.248813 
1 1 1   14    9   50 o   37.788   1.0640  192.664   10.799  212.302   15.081  172.001   15.470   39.595   1.4181   35.595   1.6181 4.000240 2.151528 
1 1 1   14    9   51 o   18.770   2.0936   48.844   10.375   58.562   14.264   37.926   15.118   20.389   2.6687   16.040   3.5978 4.349264 4.479516 
1 1 1   14    9   52 f   24.299   1.5073   80.580   9.7889   74.185   14.144   86.459   13.562   23.061   2.3146   25.013   2.0363 -1.951569 3.082889 
1 1 1   14    9   53 o   8.6047   2.9970   9.6858   8.4984   7.3421   11.920   12.108   12.119   8.7500   3.4479   9.7745   3.5598 -1.024556 4.955844 
1 1 1   14    9   54 o   10.479   3.9051   14.084   14.726   12.321   17.718   18.020   26.479   10.599   4.1950   12.500   5.0663 -1.901031 6.577651 
1 1 1   14    9   55 o   10.179   3.7714   13.674   13.696   5.5046   16.905   29.280   23.364   9.3505   3.9410   13.658   4.9474 -4.307546 6.325233 
1 1 1   14    9   56 o   8.7880   3.5157   7.8168   12.572   1.8044   18.158   13.353   17.424   9.0273   3.9466   10.497   4.1583 -1.469817 5.733016 
1 1 1   14   10  -55 o   21.291   3.6448   69.977   20.094   0.0000   0.0000   69.977   20.094  ?   ?    21.291   3.6448 0.000000 3.644781 
1 1 1   14   10  -54 o   18.375   3.8629   52.474   18.459   0.0000   0.0000   52.474   18.459  ?   ?    18.375   3.8629 0.000000 3.862878 
1 1 1   14   10  -53 o   7.0714   3.1593  -3.3502   12.259  -4.2485   17.866  -2.5508   16.853   8.4559   3.7933   8.4031   3.7324 0.5277252E-01 5.321649 
1 1 1   14   10  -52 o   25.144   2.1242   87.902   14.212   77.577   19.997   98.439   20.202   23.053   3.3258   26.240   2.9156 -3.187271 4.422907 
1 1 1   14   10  -51 o   36.531   1.4894  181.375   14.614  187.987   20.552  174.613   20.785   36.928   2.0806   35.537   2.1882 1.390411 3.019438 
1 1 1   14   10  -50 o   10.473   2.5126   15.748   6.9771   22.227   8.7904   4.7174   11.470   12.427   2.7099   8.2248   3.3341 4.202532 4.296477 
1 1 1   14   10  -49 o   5.9533   2.3822   2.4987   5.7735   7.3397   7.3445  -5.3313   9.3406   7.7932   2.7798   5.9008   2.6853 1.892400 3.865051 
1 1 1   14   10  -48 o   5.9622   2.3841   2.5045   5.7785  -2.1261   7.3413   10.046   9.3687   5.5990   2.4763   8.9531   3.1452 -3.354009 4.003003 
1 1 1   14   10  -47 o   27.390   1.0355  101.146   7.6182  105.085   10.684   97.072   10.866   27.832   1.4341   26.730   1.5197 1.101881 2.089565 
1 1 1   14   10  -46 o   63.844   0.8235  548.755   14.121  560.444   19.786  536.620   20.159   64.447   1.1431   63.050   1.1904 1.397350 1.650359 
1 1 1   14   10  -45 o   7.1591   2.5072   6.2879   5.9515   6.7559   8.1584   5.7555   8.7011   7.8465   2.9101   7.7391   2.9750 0.1074038 4.161689 
1 1 1   14   10  -44 f   5.8805   2.3777   2.1149   5.8171  -0.4843   7.4281   6.2369   9.3545   5.9478   2.5626   8.0312   3.0853 -2.083385 4.010765 
1 1 1   14   10  -43 o   37.703   0.9234  191.437   9.3507  188.395   12.856  194.854   13.625   37.355   1.2813   37.981   1.3356 -0.6262245 1.850896 
1 1 1   14   10  -42 o   27.079   0.8956   98.712   6.5139   97.145   8.5391  100.892   10.074   26.839   1.1846   27.297   1.3785 -0.4581833 1.817551 
1 1 1   14   10  -41 o   30.098   0.8705  121.914   7.0373  115.852   9.0168  131.362   11.256   29.318   1.1450   31.198   1.3433 -1.879778 1.765092 
1 1 1   14   10  -40 o   11.495   1.6611   18.232   4.9799   18.509   6.0653   17.659   8.7236   11.514   2.0358   11.143   2.8902 0.3704023 3.535235 
1 1 1   14   10  -39 o   14.625   1.2950   29.061   5.0341   29.590   6.4040   28.204   8.1442   14.706   1.6498   14.250   2.1986 0.4558249 2.748704 
1 1 1   14   10  -38 f   44.234   0.7532  263.099   8.9483  268.487   12.260  256.956   13.091   44.661   1.0220   43.682   1.1158 0.9792175 1.513105 
1 1 1   14   10  -37 o   53.069   0.7696  378.695   10.969  374.339   15.499  383.067   15.526   52.729   1.0944   53.342   1.0837 -0.6124458 1.540143 
1 1 1   14   10  -36 o   73.039   1.0384  717.976   20.372  695.305   34.129  730.524   25.391   71.729   1.7715   73.632   1.2839 -1.903648 2.187814 
1 1 1   14   10  -35 o   21.979   0.9774   64.989   5.7696   62.331   6.9587   70.835   10.320   21.480   1.2111   22.843   1.6941 -1.362846 2.082458 
1 1 1   14   10  -34 o   26.841   0.8772   96.881   6.3237   98.925   7.7941   92.944   10.817   27.114   1.0703   26.208   1.5435 0.9053955 1.878269 
1 1 1   14   10  -33 o   36.114   0.8352  175.349   8.1014  174.902   9.5779  176.473   15.187   36.060   0.9889   36.180   1.5629 -0.1197472 1.849445 
1 1 1   14   10  -32 o   72.583   0.7942  708.143   15.483  716.386   21.686  699.571   22.113   72.973   1.1064   72.108   1.1418 0.8655624 1.589932 
1 1 1   14   10  -31 o   30.481   0.7651  124.868   6.2639  118.900   8.2556  132.967   9.6163   29.735   1.0337   31.440   1.1388 -1.705292 1.537948 
1 1 1   14   10  -30 o   52.271   0.8025  367.206   11.267  375.201   13.891  351.830   19.264   52.828   0.9790   51.127   1.4028 1.701096 1.710654 
1 1 1   14   10  -29 o   51.444   0.9421  355.733   13.018  373.433   18.936  339.871   17.926   52.683   1.3382   50.261   1.3279 2.422409 1.885194 
1 1 1   14   10  -28 o   50.472   0.7430  342.284   10.072  352.305   12.394  322.804   17.281   51.199   0.9013   48.987   1.3134 2.211689 1.592886 
1 1 1   14   10  -27 o  104.154   0.9933  1458.10   27.788  1450.99   34.559  1471.12   46.741  103.874   1.2387  104.535   1.6647 -0.6611099 2.074995 
1 1 1   14   10  -26 o   41.046   0.7096  226.350   7.8229  230.473   9.6310  218.354   13.412   41.414   0.8658   40.297   1.2392 1.116581 1.511676 
1 1 1   14   10  -25 o  112.326   1.0978  1696.03   33.122  1707.06   52.043  1688.51   42.941  112.615   1.7206  112.041   1.4269 0.5733643 2.235303 
1 1 1   14   10  -24 f  125.574   1.0869  2119.50   36.659  2082.99   51.311  2157.58   52.395  124.434   1.5352  126.641   1.5404 -2.207565 2.174787 
1 1 1   14   10  -23 o   74.554   0.7898  746.778   15.815  754.442   22.364  739.113   22.366   74.920   1.1114   74.154   1.1229 0.7656708 1.579937 
1 1 1   14   10  -22 o   94.580   0.8921  1201.95   22.663  1177.49   31.646  1227.69   32.471   93.590   1.2589   95.564   1.2651 -1.973808 1.784733 
1 1 1   14   10  -21 o   22.755   0.8350   69.568   5.1034   70.945   6.8620   67.864   7.6343   22.976   1.1120   22.433   1.2723 0.5429497 1.689715 
1 1 1   14   10  -20 o   62.416   0.8261  523.374   13.848  512.843   18.395  537.150   21.039   61.776   1.1087   63.217   1.2391 -1.441830 1.662668 
1 1 1   14   10  -19 o   34.253   0.7752  157.611   7.1318  145.772   10.300  168.514   9.8844   32.935   1.1644   35.414   1.0392 -2.478458 1.560669 
1 1 1   14   10  -18 o   28.031   0.8714  105.557   6.5606   98.202   8.8212  114.660   9.8143   27.032   1.2149   29.209   1.2510 -2.176905 1.743838 
1 1 1   14   10  -17 o  124.015   1.1206  2066.51   37.327  2031.47   49.898  2111.03   56.246  122.933   1.5112  125.304   1.6712 -2.370995 2.253164 
1 1 1   14   10  -16 f  156.365   1.3501  3285.84   56.704  3234.42   75.945  3350.61   85.242  155.093   1.8231  157.832   2.0108 -2.739609 2.714216 
1 1 1   14   10  -15 o   53.111   0.9368  378.941   13.364  385.718   20.116  373.587   17.880   53.574   1.3979   52.728   1.2625 0.8458595 1.883649 
1 1 1   14   10  -14 o  205.824   1.7200  5694.81   95.088  5593.76  127.185  5822.87  143.182  203.908   2.3222  208.002   2.5629 -4.093613 3.458501 
1 1 1   14   10  -13 o   98.651   1.0488  1307.41   27.790  1304.45   37.353  1311.07   41.591   98.526   1.4115   98.768   1.5678 -0.2427521 2.109579 
1 1 1   14   10  -12 o  138.464   1.2776  2575.98   47.514  2587.60   75.090  2568.22   61.361  138.727   2.0152  138.233   1.6527 0.4938049 2.606245 
1 1 1   14   10  -11 o  136.919   1.2069  2518.64   44.383  2508.32   60.048  2531.05   65.891  136.616   1.6365  137.223   1.7878 -0.6076202 2.423657 
1 1 1   14   10  -10 o   50.565   0.7402  343.415   10.052  350.444   14.993  337.675   13.549   51.075   1.0929   50.137   1.0061 0.9379768 1.485518 
1 1 1   14   10   -9 o   91.568   1.0051  1126.32   24.720  1164.69   43.642  1108.19   29.996   93.091   1.7454   90.822   1.2297 2.268623 2.135081 
1 1 1   14   10   -8 o   23.894   0.9523   76.688   6.1116   68.476   9.5981   82.289   7.9262   22.517   1.5974   24.749   1.1924 -2.232191 1.993328 
1 1 1   14   10   -7 o   80.799   0.8505  876.901   18.457  888.955   27.810  867.411   24.675   81.344   1.2729   80.355   1.1433 0.9887695 1.710946 
1 1 1   14   10   -6 o  118.614   1.1953  1890.06   38.079  1901.17   57.424  1881.35   50.874  118.938   1.7976  118.325   1.6007 0.6125336 2.407003 
1 1 1   14   10   -5 o  121.861   1.0552  1994.81   34.538  1982.77   48.737  2006.95   48.951  121.478   1.4937  122.216   1.4912 -0.7388229 2.110684 
1 1 1   14   10   -4 o   41.620   0.7776  232.664   8.6923  236.051   11.445  228.048   13.361   41.920   1.0165   41.201   1.2074 0.7187080 1.578324 
1 1 1   14   10   -3 o   95.661   0.9776  1229.19   25.118  1198.96   32.118  1276.79   40.303   94.471   1.2658   97.481   1.5393 -3.009911 1.992911 
1 1 1   14   10   -2 o   24.934   0.9412   83.508   6.3034   78.512   8.4252   89.860   9.4999   24.139   1.3043   25.826   1.3745 -1.686264 1.894848 
1 1 1   14   10   -1 o   86.725   0.9238  1010.25   21.519  1013.78   27.953  1005.12   33.715   86.871   1.1980   86.493   1.4513 0.3781052 1.881895 
1 1 1   14   10    0 o  147.794   1.2297  2934.36   48.814  2967.34   69.507  2902.25   68.569  148.598   1.7415  146.960   1.7372 1.638504 2.459778 
1 1 1   14   10    1 o   70.086   0.7982  659.749   15.026  671.235   22.635  650.700   20.092   70.687   1.1922   69.600   1.0748 1.087723 1.605169 
1 1 1   14   10    2 o   69.435   0.7591  647.543   14.157  664.480   20.361  631.689   19.699   70.333   1.0778   68.575   1.0695 1.757202 1.518399 
1 1 1   14   10    3 o   63.932   0.9112  549.002   15.647  531.119   25.798  559.409   19.680   62.872   1.5277   64.532   1.1354 -1.659973 1.903440 
1 1 1   14   10    4 o  191.672   1.5410  4936.33   79.334  4923.03  112.041  4949.70  112.349  191.364   2.1799  191.881   2.1799 -0.5175476 3.082831 
1 1 1   14   10    5 o   33.021   0.8698  146.456   7.7144  143.106   10.601  150.227   11.247   32.638   1.2093   33.440   1.2522 -0.8017540 1.740811 
1 1 1   14   10    6 o  148.380   1.2348  2957.76   49.209  2954.71   69.554  2960.83   69.631  148.277   1.7464  148.431   1.7466 -0.1535797 2.469930 
1 1 1   14   10    7 o  136.074   1.1509  2487.43   42.064  2447.30   59.002  2528.90   59.984  134.952   1.6278  137.183   1.6280 -2.231186 2.302170 
1 1 1   14   10    8 o  201.385   1.6120  5449.94   87.193  5479.06  123.713  5421.19  122.910  201.859   2.2818  200.790   2.2790 1.068512 3.224998 
1 1 1   14   10    9 o  121.671   1.0559  1988.66   34.507  2006.19   49.047  1971.47   48.558  122.189   1.4945  121.127   1.4925 1.061935 2.112129 
1 1 1   14   10   10 o   58.856   0.7597  465.268   12.010  475.587   18.005  456.996   16.121   59.499   1.1266   58.326   1.0290 1.172863 1.525834 
1 1 1   14   10   11 o   44.567   0.7824  266.786   9.3650  255.076   14.538  275.092   12.244   43.572   1.2422   45.253   1.0073 -1.680618 1.599343 
1 1 1   14   10   12 o   41.810   0.7936  234.807   8.9121  232.619   12.654  236.960   12.554   41.611   1.1322   41.998   1.1129 -0.3867645 1.587586 
1 1 1   14   10   13 o  147.611   1.2322  2927.56   48.854  2990.62   69.879  2867.27   68.327  149.158   1.7442  146.049   1.7418 3.108246 2.465003 
1 1 1   14   10   14 o   93.533   0.8868  1175.18   22.279  1181.35   31.532  1169.03   31.484   93.766   1.2520   93.276   1.2567 0.4904480 1.773937 
1 1 1   14   10   15 o   97.659   0.9099  1281.19   23.868  1301.91   33.961  1260.97   33.552   98.431   1.2846   96.871   1.2895 1.559982 1.820169 
1 1 1   14   10   16 f  159.477   1.3723  3417.99   58.783  3474.95   80.437  3352.71   86.116  160.752   1.8630  157.879   2.0308 2.872299 2.755870 
1 1 1   14   10   17 o   45.117   0.7941  273.435   9.6223  287.551   14.904  263.346   12.600   46.259   1.1996   44.272   1.0596 1.986801 1.600548 
1 1 1   14   10   18 o   98.150   1.0078  1294.33   26.568  1305.37   37.700  1283.44   37.448   98.545   1.4243   97.714   1.4269 0.8314667 2.016088 
1 1 1   14   10   19 o   85.214   0.8840  975.559   20.233  959.224   29.782  989.560   27.572   84.478   1.3126   85.810   1.1963 -1.331627 1.775927 
1 1 1   14   10   20 o   57.024   0.8473  436.864   12.977  444.348   19.152  430.511   17.646   57.498   1.2402   56.598   1.1608 0.8994255 1.698641 
1 1 1   14   10   21 o   66.195   0.9979  588.803   17.742  599.084   23.956  576.313   26.405   66.755   1.3361   65.465   1.5017 1.289978 2.010021 
1 1 1   14   10   22 o   53.707   0.8968  387.573   12.937  403.126   25.797  382.348   14.953   54.735   1.7548   53.339   1.0437 1.395557 2.041700 
1 1 1   14   10   23 o  118.900   1.1468  1900.29   36.623  1818.27   56.486  1959.77   48.104  116.228   1.8094  120.710   1.4837 -4.482239 2.339931 
1 1 1   14   10   24 f  167.244   1.4375  3762.03   64.572  3706.28   94.912  3810.06   88.104  165.850   2.1307  168.202   1.9502 -2.351181 2.888404 
1 1 1   14   10   25 o   33.465   0.9071  150.494   8.1533  145.886   13.268  153.289   10.335   32.930   1.5001   33.768   1.1395 -0.8376770 1.883820 
1 1 1   14   10   26 o   93.806   0.9421  1182.62   23.736  1163.85   34.971  1198.65   32.321   93.018   1.3997   94.411   1.2746 -1.393448 1.893100 
1 1 1   14   10   27 o   62.615   0.7922  526.810   13.324  523.260   19.382  529.991   18.346   62.384   1.1567   62.788   1.0879 -0.4042587 1.587919 
1 1 1   14   10   28 o   73.036   0.8100  716.810   15.890  701.028   23.788  729.525   21.352   72.198   1.2267   73.663   1.0792 -1.464714 1.633844 
1 1 1   14   10   29 o   79.221   0.8762  843.503   18.645  859.787   27.298  829.264   25.527   79.947   1.2713   78.521   1.2104 1.425743 1.755309 
1 1 1   14   10   30 o   94.270   0.9930  1194.81   25.144  1187.89   35.080  1202.12   36.057   93.946   1.3902   94.503   1.4206 -0.5562592 1.987656 
1 1 1   14   10   31 o  103.167   0.9607  1431.03   26.620  1433.06   37.372  1428.94   37.928  103.181   1.3485  103.029   1.3706 0.1524506 1.922763 
1 1 1   14   10   32 o   29.898   0.9946  120.211   7.9870  124.590   12.450  117.149   10.412   30.370   1.5313   29.499   1.3141 0.8709145 2.017817 
1 1 1   14   10   33 o   37.192   0.8678  185.983   8.6689  196.735   11.665  172.722   12.955   38.236   1.1359   35.811   1.3469 2.424141 1.761928 
1 1 1   14   10   34 o   34.723   0.8143  162.102   7.5947  156.509   10.052  169.544   11.594   34.102   1.0974   35.486   1.2164 -1.383244 1.638252 
1 1 1   14   10   35 o   18.952   1.1246   48.518   5.6989   52.297   7.3428   42.793   9.0376   19.648   1.4006   17.685   1.9341 1.962692 2.387965 
1 1 1   14   10   36 o   24.980   0.9543   83.952   6.4028   84.864   8.3462   82.648   9.9814   25.099   1.2380   24.705   1.5115 0.3940353 1.953785 
1 1 1   14   10   37 o   45.815   0.7839  282.256   9.6469  268.243   13.009  299.377   14.380   44.637   1.0851   47.151   1.1354 -2.513798 1.570531 
1 1 1   14   10   38 f   14.645   1.3245   29.149   5.1535   26.847   6.2893   33.852   8.9904   13.992   1.7091   15.645   2.2004 -1.652872 2.786140 
1 1 1   14   10   39 o   33.805   0.8685  153.748   7.8858  164.729   10.291  138.126   12.274   34.973   1.0955   31.993   1.4284 2.979895 1.800099 
1 1 1   14   10   40 o   25.558   0.9494   87.927   6.5174   82.628   8.1290   97.462   10.905   24.758   1.2225   26.818   1.5201 -2.060635 1.950705 
1 1 1   14   10   41 o   37.471   0.8383  188.925   8.4373  187.216   10.346  192.319   14.580   37.282   1.0331   37.735   1.4386 -0.4527893 1.771106 
1 1 1   14   10   42 o   37.177   0.9613  186.132   9.5992  174.439   12.552  202.607   14.899   35.949   1.2999   38.722   1.4325 -2.772835 1.934401 
1 1 1   14   10   43 o   65.850   0.8712  583.771   15.409  605.840   20.667  556.150   23.121   67.022   1.1481   64.165   1.3416 2.857452 1.765798 
1 1 1   14   10   44 f   24.480   1.1119   80.824   7.3106   82.239   9.4682   78.734   11.504   24.617   1.4382   24.015   1.7966 0.6025791 2.301335 
1 1 1   14   10   45 o   16.800   1.4934   38.498   6.6683   39.659   8.7818   36.917   10.248   16.960   1.9642   16.244   2.4229 0.7155247 3.119091 
1 1 1   14   10   46 o   42.309   0.9137  241.126   10.383  235.990   15.075  245.761   14.322   41.782   1.3433   42.657   1.2500 -0.8748741 1.834948 
1 1 1   14   10   47 o   40.773   0.9634  224.025   10.550  228.961   14.955  219.134   14.886   41.152   1.3530   40.254   1.3768 0.8976326 1.930387 
1 1 1   14   10   48 o   22.510   1.2514   68.668   7.5360   67.377   10.035   70.337   11.412   22.214   1.6948   22.654   1.8929 -0.4403000 2.540696 
1 1 1   14   10   49 o   28.878   1.0582  112.521   8.2075  120.318   11.128  103.221   12.154   29.812   1.3898   27.519   1.6519 2.292381 2.158799 
1 1 1   14   10   50 o   34.146   1.2100  157.653   11.098  149.271   16.719  164.253   14.837   33.012   1.8936   34.767   1.5889 -1.755848 2.471859 
1 1 1   14   10   51 o   12.331   2.4541   21.768   7.8420   25.489   10.634   17.331   11.611   13.201   3.0591   11.015   3.4949 2.185431 4.644629 
1 1 1   14   10   52 o   10.752   3.5370   16.447   11.826  -3.5562   18.544   30.159   15.353   8.7579   3.9011   14.076   3.9174 -5.318206 5.528528 
1 1 1   14   10   53 o   24.375   2.4367   83.993   15.739   90.429   20.668   75.110   24.282   24.892   3.1627   21.961   4.2704 2.931690 5.314037 
1 1 1   14   10   54 o   12.263   3.6064   23.048   12.670   22.324   17.805   23.791   18.033   12.229   4.3318   12.516   4.3654 -0.2869635 6.149895 
1 1 1   14   10   55 o   12.982   3.4300   26.136   12.140   12.968   17.722   37.777   16.663   10.485   4.1810   15.326   4.0039 -4.840630 5.788957 
1 1 1   14   11  -55 o   8.5711   3.9280  -6.1710   20.446   0.0000   0.0000  -6.1710   20.446  ?   ?    8.5711   3.9280 0.000000 3.928006 
1 1 1   14   11  -54 o   8.4792   3.7454  -0.4214   16.743   0.0000   0.0000  -0.4214   16.743  ?   ?    8.4792   3.7454 0.000000 3.745396 
1 1 1   14   11  -53 o   18.416   2.6102   48.955   12.550   31.656   17.725   66.345   17.771   14.084   4.2952   21.128   3.2346 -7.044134 5.376891 
1 1 1   14   11  -52 o   13.043   3.5135   25.791   12.585   32.659   18.762   20.174   16.969   14.407   4.4237   11.889   4.2270 2.517235 6.118546 
1 1 1   14   11  -51 o   36.390   1.7131  181.156   16.744  174.636   24.593  186.789   22.860   35.217   2.6187   36.598   2.3378 -1.380539 3.510390 
1 1 1   14   11  -50 f   40.934   1.4499  227.599   15.941  238.176   22.535  217.006   22.553   41.656   2.0142   39.661   2.1248 1.994774 2.927735 
1 1 1   14   11  -49 o   28.141   1.1590  107.027   8.7604  111.046   10.739   99.033   15.147   28.624   1.3968   26.793   2.1221 1.830471 2.540554 
1 1 1   14   11  -48 o   16.902   1.3678   38.915   6.1558   41.429   7.7308   34.560   10.176   17.383   1.6766   15.655   2.5045 1.727519 3.013898 
1 1 1   14   11  -47 o   10.529   2.2972   15.765   6.3138   12.896   8.6680   19.008   9.2153   9.6415   3.0145   11.486   2.9664 -1.844204 4.229255 
1 1 1   14   11  -46 o   23.418   1.2460   74.289   7.8090   70.134   11.508   77.834   10.631   22.619   1.9122   23.893   1.6670 -1.273537 2.536855 
1 1 1   14   11  -45 o   20.042   1.2802   54.490   6.8554   55.257   9.5023   53.659   9.8999   20.089   1.7795   19.771   1.8872 0.3185101 2.593839 
1 1 1   14   11  -44 o   13.266   1.8742   24.391   6.4920   15.852   8.3790   37.217   10.269   10.534   2.8793   16.308   2.4176 -5.774456 3.759652 
1 1 1   14   11  -43 o   30.155   0.9063  122.475   7.3404  118.188   9.1615  130.161   12.267   29.596   1.1525   31.013   1.4727 -1.416908 1.870048 
1 1 1   14   11  -42 o   31.328   0.8840  132.148   7.4382  127.732   9.3784  139.638   12.212   30.774   1.1346   32.138   1.4148 -1.364010 1.813559 
1 1 1   14   11  -41 o   15.427   1.3288   32.371   5.4524   23.224   6.8743   47.885   8.9529   12.914   2.0505   18.705   1.8044 -5.790850 2.731369 
1 1 1   14   11  -40 o   36.564   0.8240  179.892   8.0921  174.894   10.342  187.783   12.994   36.029   1.0687   37.304   1.2969 -1.275467 1.680504 
1 1 1   14   11  -39 o   64.705   0.8511  563.327   14.791  578.586   21.375  549.307   20.489   65.511   1.2148   63.836   1.1950 1.675072 1.704052 
1 1 1   14   11  -38 o   51.223   0.7816  352.891   10.754  358.079   15.823  348.438   14.660   51.554   1.1427   50.865   1.0731 0.6891289 1.567544 
1 1 1   14   11  -37 o   32.735   0.8020  144.120   7.0512  149.249   9.3055  137.202   10.805   33.295   1.0406   31.905   1.2609 1.390650 1.634850 
1 1 1   14   11  -36 o   73.421   0.8375  725.055   16.515  755.283   24.198  698.696   22.596   74.875   1.2032   72.022   1.1681 2.852875 1.676938 
1 1 1   14   11  -35 o   49.204   0.8864  325.672   11.714  356.273   20.176  310.112   14.388   51.392   1.4617   47.992   1.1162 3.400314 1.839119 
1 1 1   14   11  -34 o  105.322   1.0197  1492.76   28.845  1500.49   38.811  1483.22   43.114  105.508   1.3695  104.851   1.5309 0.6570358 2.054115 
1 1 1   14   11  -33 o   38.342   0.8075  197.661   8.3163  205.810   10.698  185.218   13.219   39.110   1.0184   37.078   1.3274 2.032536 1.673105 
1 1 1   14   11  -32 o   26.474   0.8549   94.239   6.0792   95.927   6.8863   88.280   12.941   26.706   0.9600   25.492   1.9038 1.213669 2.132207 
1 1 1   14   11  -31 f   13.153   1.2460   23.496   4.3493   26.830   4.7046   3.8912   11.409   14.062   1.2590   8.1976   3.3244 5.864010 3.554823 
1 1 1   14   11  -30 o   36.058   0.8161  174.766   7.9035  185.488   9.4402  149.636   14.453   37.142   0.9463   33.321   1.6149 3.820808 1.871704 
1 1 1   14   11  -29 f  111.845   1.0518  1682.22   31.598  1666.33   39.010  1712.52   53.881  111.275   1.3052  112.706   1.7799 -1.431015 2.207187 
1 1 1   14   11  -28 o   56.107   0.8775  423.130   13.224  424.796   17.465  420.892   20.243   56.200   1.1570   55.926   1.3476 0.2736893 1.776185 
1 1 1   14   11  -27 o   32.818   0.8349  144.741   7.3596  141.016   9.0261  152.130   12.712   32.386   1.0376   33.623   1.4076 -1.236492 1.748748 
1 1 1   14   11  -26 o   81.947   0.8770  902.502   19.303  882.591   25.635  928.575   29.335   81.015   1.1781   83.085   1.3145 -2.070297 1.765167 
1 1 1   14   11  -25 f   27.631   0.8686  102.598   6.4463   96.379   7.8040  115.957   11.437   26.775   1.0852   29.357   1.4505 -2.581842 1.811480 
1 1 1   14   11  -24 o  115.542   1.3399  1795.53   41.583  1792.51   54.546  1799.73   64.254  115.383   1.7601  115.558   2.0702 -0.1751785 2.717268 
1 1 1   14   11  -23 o   47.536   0.8445  303.633   10.783  282.229   14.456  330.472   16.189   45.818   1.1747   49.577   1.2157 -3.759590 1.690542 
1 1 1   14   11  -22 o   49.925   0.7505  334.868   10.063  327.879   13.223  344.489   15.514   49.393   0.9967   50.623   1.1410 -1.229805 1.514996 
1 1 1   14   11  -21 o   33.385   0.7783  149.744   6.9792  136.591   8.8211  171.758   11.412   31.880   1.0302   35.745   1.1887 -3.864758 1.572955 
1 1 1   14   11  -20 o   61.634   0.7370  510.330   12.201  501.240   16.968  520.062   17.556   61.072   1.0344   62.207   1.0507 -1.135426 1.474473 
1 1 1   14   11  -19 o   79.829   0.8819  856.222   18.909  851.152   24.417  863.818   29.888   79.579   1.1424   80.154   1.3883 -0.5747604 1.797852 
1 1 1   14   11  -18 o   97.598   1.0467  1280.02   27.439  1276.42   33.545  1287.30   47.697   97.446   1.2817   97.815   1.8155 -0.3688889 2.222310 
1 1 1   14   11  -17 o   60.124   0.7967  485.627   12.866  468.618   17.670  504.820   18.770   59.052   1.1140   61.290   1.1402 -2.237614 1.594104 
1 1 1   14   11  -16 o   98.579   1.0527  1305.75   27.873  1277.55   41.039  1329.90   37.976   97.476   1.5675   99.464   1.4215 -1.987534 2.116066 
1 1 1   14   11  -15 o   87.142   1.0297  1020.30   24.101  1058.00   47.312  1007.08   28.008   88.680   1.9863   86.569   1.2046 2.111549 2.323044 
1 1 1   14   11  -14 o   69.509   0.7911  649.015   14.770  644.429   20.020  654.493   21.880   69.255   1.0763   69.791   1.1673 -0.5357132 1.587709 
1 1 1   14   11  -13 o   71.258   0.7668  682.066   14.675  676.419   20.625  687.856   20.885   70.954   1.0822   71.551   1.0867 -0.5971985 1.533703 
1 1 1   14   11  -12 o  128.214   1.1001  2208.65   37.884  2185.15   53.245  2232.74   53.913  127.502   1.5548  128.883   1.5574 -1.380608 2.200664 
1 1 1   14   11  -11 o   74.714   0.8240  749.832   16.535  740.769   24.570  757.334   22.354   74.250   1.2320   75.079   1.1085 -0.8293304 1.657302 
1 1 1   14   11  -10 o   98.351   0.9529  1299.43   25.172  1337.35   37.980  1269.73   33.615   99.758   1.4175   97.209   1.2875 2.549225 1.914887 
1 1 1   14   11   -9 o   27.298   0.9247  100.099   6.7795   93.885   9.8798  105.629   9.3199   26.395   1.3986   28.039   1.2376 -1.643250 1.867490 
1 1 1   14   11   -8 o  107.932   1.1183  1565.04   32.419  1572.41   56.510  1561.43   39.580  108.144   1.9455  107.797   1.3670 0.3471832 2.377759 
1 1 1   14   11   -7 o  189.585   1.5949  4830.50   81.214  4901.46  121.534  4773.24  109.167  190.887   2.3704  188.400   2.1573 2.486664 3.205169 
1 1 1   14   11   -6 o   58.009   0.7214  451.975   11.239  450.828   15.938  453.110   15.852   57.931   1.0243   58.077   1.0162 -0.1465874 1.442859 
1 1 1   14   11   -5 o  130.670   1.1152  2293.83   39.141  2331.27   55.913  2257.85   54.811  131.709   1.5805  129.619   1.5744 2.090332 2.230855 
1 1 1   14   11   -4 o  145.569   1.2160  2846.90   47.543  2838.12   67.189  2855.70   67.282  145.315   1.7215  145.765   1.7185 -0.4495544 2.432425 
1 1 1   14   11   -3 o   60.185   0.8353  486.545   13.503  497.928   20.407  477.679   18.009   60.878   1.2480   59.630   1.1244 1.248390 1.679866 
1 1 1   14   11   -2 o   88.481   0.8520  1051.58   20.247  1069.17   28.994  1034.84   28.287   89.209   1.2101   87.765   1.2000 1.443504 1.704160 
1 1 1   14   11   -1 o  177.166   1.5749  4217.97   74.942  4222.37   96.869  4211.42  118.277  177.220   2.0351  176.942   2.4887 0.2773132 3.214859 
1 1 1   14   11    0 o  157.121   1.4204  3317.09   59.942  3351.47   77.836  3266.98   93.966  157.905   1.8352  155.868   2.2445 2.037048 2.899300 
1 1 1   14   11    1 o  172.854   1.4075  4014.62   65.345  4018.57   92.492  4010.69   92.333  172.894   1.9917  172.724   1.9903 0.1695709 2.815702 
1 1 1   14   11    2 o  113.819   1.0047  1740.22   30.716  1731.99   43.416  1748.47   43.461  113.534   1.4237  114.073   1.4185 -0.5393295 2.009772 
1 1 1   14   11    3 o  101.386   1.0158  1380.83   27.662  1388.92   35.961  1369.10   43.293  101.673   1.3168  100.934   1.5969 0.7390976 2.069826 
1 1 1   14   11    4 o  124.667   1.1769  2087.99   39.409  2099.92   51.141  2070.56   61.833  125.007   1.5232  124.111   1.8549 0.8957062 2.400127 
1 1 1   14   11    5 o   67.758   0.7883  616.681   14.346  606.623   19.455  628.666   21.238   67.198   1.0779   68.407   1.1559 -1.208321 1.580500 
1 1 1   14   11    6 o   94.783   0.8899  1206.76   22.654  1234.86   32.454  1180.05   31.638   95.869   1.2604   93.718   1.2569 2.151543 1.779960 
1 1 1   14   11    7 o  117.294   1.0283  1848.21   32.395  1855.00   45.983  1841.52   45.646  117.491   1.4571  117.064   1.4517 0.4274445 2.056897 
1 1 1   14   11    8 o   31.122   0.7921  130.099   6.6213  128.821   9.4410  131.337   9.2888   30.965   1.1351   31.267   1.1061 -0.3011875 1.584906 
1 1 1   14   11    9 o  114.406   1.0540  1758.37   32.388  1746.29   47.887  1768.56   43.972  113.988   1.5641  114.720   1.4271 -0.7316589 2.117279 
1 1 1   14   11   10 o  116.206   1.1179  1814.24   34.892  1822.98   55.234  1808.44   45.010  116.449   1.7659  116.004   1.4446 0.4456558 2.281543 
1 1 1   14   11   11 o   90.431   0.8679  1098.53   21.079  1093.61   29.780  1103.46   29.841   90.217   1.2290   90.622   1.2260 -0.4058075 1.735942 
1 1 1   14   11   12 o   48.685   0.7464  318.377   9.7599  314.297   14.448  321.802   13.237   48.366   1.1122   48.942   1.0069 -0.5760803 1.500288 
1 1 1   14   11   13 o   67.644   0.7940  614.653   14.426  607.386   21.290  620.821   19.615   67.233   1.1790   67.976   1.0743 -0.7426758 1.595030 
1 1 1   14   11   14 o   96.653   0.9043  1254.98   23.475  1267.90   33.345  1242.29   33.055   97.132   1.2781   96.146   1.2800 0.9859543 1.808864 
1 1 1   14   11   15 o  106.310   0.9629  1518.42   27.494  1527.57   38.925  1509.30   38.840  106.608   1.3594  105.968   1.3646 0.6398392 1.926175 
1 1 1   14   11   16 o   43.714   0.7204  256.695   8.4582  271.158   11.919  242.025   12.005   44.924   0.9878   42.441   1.0531 2.483208 1.443902 
1 1 1   14   11   17 o   63.455   0.8242  540.944   14.046  557.329   22.534  530.533   17.963   64.392   1.3029   62.834   1.0644 1.557739 1.682411 
1 1 1   14   11   18 o  137.549   1.4261  2543.75   52.687  2574.99   86.805  2525.53   66.296  138.257   2.3376  137.008   1.8016 1.248611 2.951237 
1 1 1   14   11   19 o   29.146   1.1988  114.180   9.3843  108.400   17.234  116.617   11.188   28.274   2.2890   29.450   1.4145 -1.176037 2.690785 
1 1 1   14   11   20 o  118.649   1.2736  1892.56   40.588  1938.27   58.232  1849.37   56.602  120.008   1.8066  117.225   1.7977 2.783157 2.548638 
1 1 1   14   11   21 o  130.778   1.2352  2299.30   43.387  2272.44   60.933  2326.92   61.793  129.943   1.7459  131.490   1.7497 -1.547867 2.471708 
1 1 1   14   11   22 o   54.720   0.8143  402.319   11.968  410.853   16.934  393.801   16.917   55.284   1.1404   54.124   1.1637 1.160473 1.629349 
1 1 1   14   11   23 o  124.545   1.1923  2085.46   39.884  2090.32   63.195  2082.25   51.417  124.585   1.8885  124.403   1.5388 0.1819305 2.436093 
1 1 1   14   11   24 o   41.557   0.8696  232.074   9.7066  235.302   16.234  230.277   12.110   41.822   1.4452   41.389   1.0893 0.4334297 1.809774 
1 1 1   14   11   25 f   40.017   0.8028  215.181   8.6288  211.170   12.551  218.776   11.882   39.629   1.1791   40.340   1.0967 -0.7107162 1.610291 
1 1 1   14   11   26 o   41.379   0.8331  230.095   9.2595  233.685   12.944  226.332   13.252   41.688   1.1560   41.025   1.2026 0.6631927 1.668130 
1 1 1   14   11   27 o   31.083   0.9444  129.870   7.8848  128.227   10.218  132.287   12.396   30.876   1.2322   31.351   1.4721 -0.4746227 1.919718 
1 1 1   14   11   28 o   6.1633   2.3500   3.5346   5.4014   3.9013   7.0741   3.0219   8.3644   6.8553   2.6693   7.0842   2.8557 -0.2289553 3.909051 
1 1 1   14   11   29 f   70.712   0.8531  672.094   16.203  649.543   26.152  686.143   20.641   69.463   1.4017   71.428   1.0759 -1.965439 1.767045 
1 1 1   14   11   30 o   33.332   0.9874  149.402   8.8402  145.172   16.134  151.216   10.568   32.752   1.8415   33.524   1.1736 -0.7727089 2.183721 
1 1 1   14   11   31 f   57.789   0.8730  449.009   13.550  465.605   20.827  436.828   17.843   58.804   1.3186   56.974   1.1660 1.829853 1.760210 
1 1 1   14   11   32 o   41.456   0.8525  231.080   9.4928  238.594   12.794  221.878   14.159   42.105   1.1313   40.590   1.2987 1.515533 1.722391 
1 1 1   14   11   33 o   47.015   0.7731  297.169   9.7624  304.549   13.321  288.608   14.349   47.574   1.0425   46.302   1.1538 1.272129 1.554990 
1 1 1   14   11   34 o   77.929   0.8360  816.693   17.499  800.243   24.142  834.905   25.402   77.090   1.1659   78.736   1.2012 -1.645424 1.673981 
1 1 1   14   11   35 o   58.169   0.8130  455.036   12.702  472.474   18.197  438.467   17.738   59.233   1.1438   57.060   1.1574 2.173332 1.627232 
1 1 1   14   11   36 o   61.709   0.7921  512.097   13.128  498.461   17.911  527.929   19.299   60.843   1.0960   62.608   1.1477 -1.764748 1.586947 
1 1 1   14   11   37 o   44.292   0.7833  263.832   9.3184  270.805   12.553  255.276   13.907   44.849   1.0421   43.528   1.1895 1.321316 1.581430 
1 1 1   14   11   38 o   32.361   0.8408  140.884   7.3082  143.098   9.1842  137.062   12.067   32.599   1.0489   31.869   1.4097 0.7295837 1.757149 
1 1 1   14   11   39 o   44.449   0.7748  265.750   9.2497  264.313   11.650  268.203   15.215   44.308   0.9789   44.595   1.2703 -0.2866096 1.603709 
1 1 1   14   11   40 o   32.223   0.8322  139.716   7.2026  139.930   9.1252  139.363   11.731   32.228   1.0542   32.130   1.3593 0.9883881E-01 1.720202 
1 1 1   14   11   41 o   5.3860   2.2972  -0.0001   5.8593   1.3060   7.0299  -2.9719   10.604   6.1702   2.5668   6.7304   2.9764 -0.5602298 3.930323 
1 1 1   14   11   42 o   13.536   1.7346   25.247   6.1612   24.858   7.7324   25.923   10.197   13.321   2.2407   13.460   2.9057 -0.1386728 3.669297 
1 1 1   14   11   43 o   35.287   0.8785  167.684   8.3265  173.864   11.144  159.872   12.529   35.896   1.1558   34.391   1.3563 1.505322 1.782011 
1 1 1   14   11   44 o   15.578   1.6118   33.242   6.6466   32.589   8.1211   34.568   11.567   15.337   2.0206   15.584   2.8693 -0.2466259 3.509390 
1 1 1   14   11   45 o   28.267   1.0540  107.753   8.0022  114.090   10.003   96.490   13.336   29.057   1.2817   26.565   1.8812 2.492535 2.276348 
1 1 1   14   11   46 o   33.751   0.9158  153.464   8.3021  142.946   11.107  166.783   12.498   32.526   1.2714   35.124   1.3247 -2.598240 1.836111 
1 1 1   14   11   47 o   22.017   1.2158   65.678   7.1618   58.383   9.3562   76.001   11.130   20.665   1.7008   23.580   1.7702 -2.914680 2.454861 
1 1 1   14   11   48 o   7.7104   2.7035   7.3851   6.9208   15.939   9.5552  -2.0539   10.037   10.579   3.1375   6.6364   2.9169 3.942844 4.283957 
1 1 1   14   11   49 o   32.430   1.1294  142.094   9.8375  145.229   13.581  138.634   14.269   32.700   1.5463   31.877   1.6724 0.8233280 2.277708 
1 1 1   14   11   50 f   20.972   1.7066   60.380   9.5301   56.373   13.358   64.534   13.601   19.996   2.5448   21.467   2.3999 -1.470827 3.497931 
1 1 1   14   11   51 o   8.0120   3.4212   1.4459   13.024   2.8550   20.598   0.5073   16.811   9.9230   4.2714   8.8282   3.8292 1.094813 5.736509 
1 1 1   14   11   52 o   14.386   4.4902   32.595   19.242   42.630   41.818   29.900   21.672   16.266   6.4425   13.905   4.7892 2.360862 8.027616 
1 1 1   14   11   53 o   6.7506   3.0472  -4.2832   11.736  -3.6347   17.007  -4.8728   16.217   8.2501   3.7009   7.9235   3.5788 0.3265600 5.148309 
1 1 1   14   11   54 o   10.468   3.6186   16.008   12.378   14.865   17.591   17.128   17.420   10.775   4.2055   11.136   4.2264 -0.3615208 5.962248 
1 1 1   14   11   55 o   20.632   2.4364   61.625   13.241   55.320   20.548   66.102   17.316   18.244   4.2689   20.870   3.1905 -2.625628 5.329441 
1 1 1   14   12  -54 o   16.879   4.8436   50.310   23.106   0.0000   0.0000   50.310   23.106  ?   ?    16.879   4.8436 0.000000 4.843575 
1 1 1   14   12  -53 o   27.862   2.9201  113.904   21.528   0.0000   0.0000  113.904   21.528  ?   ?    27.862   2.9201 0.000000 2.920131 
1 1 1   14   12  -52 f   21.472   2.3361   65.462   13.255   83.610   19.567   50.069   18.020   23.815   3.1352   17.936   3.8553 5.878773 4.969139 
1 1 1   14   12  -51 o   12.590   3.5447   24.016   12.495   33.322   18.518   16.237   16.930   14.538   4.3806   11.152   4.1811 3.385758 6.055657 
1 1 1   14   12  -50 o   8.1777   3.3649   4.2867   11.900   1.6970   17.129   6.7023   16.543   9.0470   3.8947   9.6154   3.9633 -0.5684166 5.556622 
1 1 1   14   12  -49 o   9.2486   3.4651   9.8399   11.625  -7.7941   15.157   35.030   18.115   7.4736   3.4087   15.156   4.2683 -7.682831 5.462414 
1 1 1   14   12  -48 o   9.2286   2.8511   11.926   7.7801   8.7053   9.7860   17.458   12.826   8.6579   3.1919   11.183   3.6837 -2.524687 4.874180 
1 1 1   14   12  -47 o   26.071   1.1036   91.768   7.7277   82.711   10.595  102.063   11.296   24.627   1.6107   27.384   1.5420 -2.756842 2.229815 
1 1 1   14   12  -46 o   30.180   1.0199  122.841   8.2678  115.787   11.629  130.053   11.757   29.195   1.4879   30.994   1.4123 -1.798954 2.051464 
1 1 1   14   12  -45 o   39.499   0.8824  210.166   9.3616  213.781   13.058  206.343   13.428   39.782   1.2221   39.073   1.2795 0.7090645 1.769373 
1 1 1   14   12  -44 o   26.027   1.0168   91.337   7.1081   89.292   8.8071   95.156   12.039   25.705   1.2756   26.417   1.7058 -0.7124729 2.130012 
1 1 1   14   12  -43 o   30.412   0.9601  124.642   7.8425  137.939   9.9135  102.404   12.821   31.968   1.1546   27.401   1.7512 4.567068 2.097535 
1 1 1   14   12  -42 o   17.892   1.2543   43.448   5.9898   50.717   7.2282   27.517   10.701   19.314   1.4030   13.845   2.9669 5.468976 3.281878 
1 1 1   14   12  -41 o   26.293   0.9351   93.121   6.6038   99.606   8.4894   83.184   10.509   27.170   1.1633   24.730   1.5906 2.440565 1.970567 
1 1 1   14   12  -40 o   44.968   0.8611  272.214   10.400  285.273   14.032  256.294   15.493   45.994   1.1359   43.563   1.3242 2.431061 1.744587 
1 1 1   14   12  -39 o   15.322   1.3102   31.916   5.3399   37.322   6.4103   19.659   9.6522   16.556   1.4564   11.723   3.0400 4.833040 3.370807 
1 1 1   14   12  -38 o   18.560   1.1672   46.613   5.7889   41.006   7.0761   57.961   10.066   17.352   1.5341   20.600   1.8386 -3.248301 2.394597 
1 1 1   14   12  -37 o   11.607   1.5849   18.540   4.8118   20.483   5.9281   14.787   8.2382   12.157   1.8758   10.241   2.8764 1.916231 3.433986 
1 1 1   14   12  -36 f   43.325   0.7952  252.467   9.2531  257.880   13.024  246.950   13.149   43.756   1.1082   42.814   1.1434 0.9414063 1.592318 
1 1 1   14   12  -35 o   10.651   1.6532   15.685   4.5760   16.710   5.5238   13.443   8.1696   10.947   1.9501   9.8282   2.8975 1.118811 3.492665 
1 1 1   14   12  -34 o   19.083   1.0568   49.175   5.3955   55.080   6.8372   39.427   8.7846   20.177   1.2681   16.952   1.9658 3.225075 2.339334 
1 1 1   14   12  -33 o   46.174   0.7731  286.674   9.5883  289.494   12.433  282.534   15.062   46.381   0.9980   45.796   1.2245 0.5847206 1.579694 
1 1 1   14   12  -32 o   70.735   0.7943  672.764   15.090  681.294   19.451  659.866   23.916   71.154   1.0177   69.987   1.2723 1.167305 1.629265 
1 1 1   14   12  -31 o  118.933   1.0957  1903.71   35.002  1904.12   43.795  1903.00   58.237  118.874   1.3716  118.685   1.8269 0.1888504 2.284503 
1 1 1   14   12  -30 o   64.330   0.7650  556.302   13.217  569.365   16.977  536.196   21.062   65.062   0.9715   63.108   1.2426 1.954491 1.577238 
1 1 1   14   12  -29 o   26.219   0.8566   92.417   6.0321   89.259   7.8867   96.867   9.3634   25.756   1.1400   26.823   1.2997 -1.067398 1.728820 
1 1 1   14   12  -28 o   35.350   0.7677  167.947   7.2892  175.748   9.8671  158.574   10.815   36.151   1.0162   34.331   1.1729 1.819557 1.551857 
1 1 1   14   12  -27 o   28.808   0.9026  111.562   6.9841  120.771   8.6409   94.211   11.861   29.967   1.0735   26.388   1.6823 3.579283 1.995645 
1 1 1   14   12  -26 o   57.931   0.7792  450.996   12.125  447.996   16.021  455.018   18.550   57.723   1.0333   58.162   1.1874 -0.4395638 1.574102 
1 1 1   14   12  -25 o   41.159   0.7412  227.639   8.1941  207.929   11.259  249.840   11.949   39.325   1.0659   43.108   1.0320 -3.783077 1.483609 
1 1 1   14   12  -24 o   33.398   0.7611  149.878   6.8271  146.725   9.2499  153.650   10.118   33.037   1.0424   33.805   1.1144 -0.7680359 1.525958 
1 1 1   14   12  -23 o   98.447   1.0654  1302.90   28.170  1324.73   37.830  1275.74   42.205   99.229   1.4194   97.351   1.6141 1.878075 2.149443 
1 1 1   14   12  -22 o   22.678   1.0932   69.138   6.6591   66.122   8.0908   75.471   11.724   22.129   1.3679   23.598   1.8650 -1.468582 2.312852 
1 1 1   14   12  -21 o   48.122   0.7883  311.150   10.189  322.921   12.988  292.308   16.432   49.017   0.9865   46.621   1.3123 2.395435 1.641699 
1 1 1   14   12  -20 o   11.186   1.6020   17.180   4.6759   16.667   5.7998   18.132   7.9035   10.947   2.0479   11.363   2.6399 -0.4166708 3.341125 
1 1 1   14   12  -19 o   74.943   0.8275  754.651   16.656  763.892   22.557  743.571   24.699   75.385   1.1140   74.368   1.2365 1.017334 1.664338 
1 1 1   14   12  -18 o  118.856   1.2681  1899.25   40.482  1845.66   56.327  1956.52   58.221  117.102   1.7909  120.567   1.7979 -3.464554 2.537622 
1 1 1   14   12  -17 o   43.958   0.7751  259.605   9.1512  259.182   11.813  260.240   14.472   43.917   1.0015   43.999   1.2246 -0.8242798E-01 1.581916 
1 1 1   14   12  -16 o   60.724   0.7352  495.360   11.991  481.856   16.675  509.817   17.254   59.881   1.0368   61.593   1.0430 -1.712635 1.470610 
1 1 1   14   12  -15 o  101.376   0.9757  1380.92   26.566  1371.58   39.320  1388.77   36.036  101.000   1.4494  101.641   1.3200 -0.6412125 1.960426 
1 1 1   14   12  -14 o   90.465   0.9985  1099.64   24.263  1129.89   36.967  1076.75   32.158   91.670   1.5014   89.499   1.3378 2.170815 2.010920 
1 1 1   14   12  -13 o   38.007   0.8352  194.063   8.5262  167.973   13.828  210.065   10.830   35.347   1.4565   39.540   1.0198 -4.192135 1.778026 
1 1 1   14   12  -12 o   95.497   0.9770  1225.28   25.059  1235.38   39.514  1218.48   32.409   95.858   1.5347   95.217   1.2673 0.6410370 1.990318 
1 1 1   14   12  -11 o  106.652   1.1087  1528.40   31.759  1523.93   54.835  1530.65   38.958  106.438   1.9181  106.716   1.3592 -0.2778778 2.350844 
1 1 1   14   12  -10 o   97.603   0.9498  1279.83   24.899  1272.44   37.066  1285.91   33.612   97.298   1.4183   97.819   1.2793 -0.5211487 1.910057 
1 1 1   14   12   -9 o  112.252   0.9968  1692.86   30.052  1697.51   42.619  1688.26   42.383  112.383   1.4119  112.077   1.4080 0.3064346 1.993945 
1 1 1   14   12   -8 o   38.088   0.7339  194.866   7.5084  204.200   10.824  186.206   10.425   38.986   1.0336   37.229   1.0425 1.757412 1.468105 
1 1 1   14   12   -7 o   35.741   0.8042  171.591   7.7200  160.749   12.161  178.910   9.9915   34.586   1.3091   36.492   1.0194 -1.905983 1.659180 
1 1 1   14   12   -6 o   72.115   0.8080  698.584   15.650  699.881   23.299  697.519   21.125   72.172   1.2019   72.053   1.0915 0.1186066 1.623609 
1 1 1   14   12   -5 o   24.707   0.8653   82.002   5.7420   74.857   8.3055   88.544   7.9472   23.565   1.3175   25.671   1.1526 -2.105900 1.750480 
1 1 1   14   12   -4 o  141.463   1.1888  2688.79   45.171  2726.09   64.456  2652.79   63.321  142.406   1.6852  140.479   1.6782 1.926834 2.378272 
1 1 1   14   12   -3 o   46.484   0.7444  290.239   9.2943  303.243   14.117  280.289   12.348   47.509   1.1063   45.677   1.0065 1.831799 1.495637 
1 1 1   14   12   -2 o  144.026   1.2058  2787.10   46.645  2800.00   66.202  2774.39   65.731  144.324   1.7078  143.662   1.7035 0.6613312 2.412164 
1 1 1   14   12   -1 o   92.433   0.8756  1147.70   21.738  1145.65   30.829  1149.74   30.656   92.339   1.2430   92.504   1.2339 -0.1651077 1.751444 
1 1 1   14   12    0 o   85.804   0.8798  988.986   20.276  987.997   27.479  990.168   30.040   85.752   1.1931   85.842   1.3029 -0.9027863E-01 1.766622 
1 1 1   14   12    1 o   60.585   0.9042  493.078   14.714  499.599   17.208  475.351   28.372   60.982   1.0506   59.463   1.7764 1.518425 2.063862 
1 1 1   14   12    2 o   41.547   0.8314  231.868   9.2782  218.257   11.640  255.579   15.364   40.306   1.0752   43.612   1.3116 -3.306160 1.696020 
1 1 1   14   12    3 o  132.761   1.1295  2368.04   40.275  2363.10   56.950  2372.98   56.965  132.594   1.5991  132.871   1.5962 -0.2769623 2.259434 
1 1 1   14   12    4 o   92.208   0.8749  1142.13   21.667  1177.64   31.218  1109.13   30.096   93.618   1.2415   90.855   1.2333 2.763618 1.749976 
1 1 1   14   12    5 o   47.965   0.7079  309.027   9.1204  299.034   12.968  318.807   12.829   47.179   1.0234   48.715   0.9805 -1.535606 1.417291 
1 1 1   14   12    6 o   43.717   0.7142  256.714   8.3858  254.384   12.023  258.921   11.702   43.514   1.0287   43.901   0.9924 -0.3869057 1.429379 
1 1 1   14   12    7 o   68.434   0.7888  629.072   14.499  614.291   21.342  641.740   19.758   67.615   1.1752   69.113   1.0644 -1.497330 1.585535 
1 1 1   14   12    8 o   69.187   0.8343  643.030   15.504  630.935   24.301  651.334   20.134   68.520   1.3204   69.626   1.0766 -1.106682 1.703708 
1 1 1   14   12    9 o   82.076   0.8224  904.936   18.129  895.681   25.576  914.281   25.701   81.644   1.1663   82.488   1.1600 -0.8436050 1.644983 
1 1 1   14   12   10 o  117.614   1.0312  1858.53   32.574  1862.76   46.118  1854.32   46.016  117.721   1.4586  117.454   1.4586 0.2669830 2.062775 
1 1 1   14   12   11 o   64.433   0.7477  557.675   12.940  554.179   18.304  561.169   18.297   64.222   1.0611   64.626   1.0541 -0.4040146 1.495685 
1 1 1   14   12   12 o  165.790   1.4202  3694.80   63.243  3749.20   94.646  3650.92   85.006  166.910   2.1112  164.737   1.9212 2.172394 2.854486 
1 1 1   14   12   13 o  186.144   1.6484  4659.62   82.416  4841.37  133.197  4546.87  104.910  189.544   2.6163  183.795   2.1252 5.748444 3.370674 
1 1 1   14   12   14 o   73.954   0.8552  734.778   16.988  756.857   26.805  719.956   21.962   75.036   1.3300   73.194   1.1171 1.841949 1.736895 
1 1 1   14   12   15 o  113.616   1.1027  1734.75   33.649  1669.72   51.814  1782.18   44.250  111.409   1.7315  115.131   1.4310 -3.721878 2.246299 
1 1 1   14   12   16 o  104.742   1.0441  1474.30   29.374  1469.77   46.192  1477.38   38.060  104.529   1.6453  104.827   1.3518 -0.2984695 2.129385 
1 1 1   14   12   17 o   22.131   1.0261   65.820   6.0994   58.768   8.9463   71.946   8.3375   20.839   1.6108   23.093   1.3501 -2.253277 2.101789 
1 1 1   14   12   18 o   93.822   1.0873  1183.12   27.399  1206.86   39.226  1160.51   38.286   94.720   1.5419   92.884   1.5347 1.835808 2.175422 
1 1 1   14   12   19 o   66.683   0.8067  597.449   14.448  606.116   21.460  590.264   19.539   67.146   1.1899   66.267   1.0978 0.8787766 1.618935 
1 1 1   14   12   20 o   83.124   0.9585  928.596   21.399  939.262   32.099  920.062   28.710   83.564   1.4302   82.717   1.2923 0.8464584 1.927505 
1 1 1   14   12   21 o   61.992   0.8191  516.376   13.638  538.609   19.152  493.503   19.426   63.297   1.1265   60.585   1.1938 2.712193 1.641398 
1 1 1   14   12   22 o   13.575   1.4580   25.077   5.2326   23.060   6.5078   28.765   8.8008   12.942   1.9312   14.417   2.3540 -1.474710 3.044802 
1 1 1   14   12   23 o   60.528   0.8684  492.344   14.118  495.102   20.714  489.952   19.293   60.674   1.2711   60.363   1.1900 0.3109131 1.741208 
1 1 1   14   12   24 o   71.838   0.8639  693.556   16.668  670.156   21.085  732.544   27.216   70.599   1.1119   73.789   1.3732 -3.190125 1.766963 
1 1 1   14   12   25 o  121.342   1.1135  1979.89   36.291  1998.20   49.207  1958.06   53.739  121.838   1.5037  120.578   1.6593 1.260529 2.239270 
1 1 1   14   12   26 o   17.212   1.1493   40.021   5.2826   37.140   6.8489   44.254   8.3000   16.534   1.5606   18.040   1.7343 -1.505817 2.333133 
1 1 1   14   12   27 o   8.6770   2.1172   10.571   4.8906   9.1752   6.1772   12.916   8.0058   8.2415   2.5395   9.6907   2.8714 -1.449222 3.833274 
1 1 1   14   12   28 o   22.110   1.1914   65.968   7.0494   72.593   11.131   61.531   9.1092   23.130   1.8060   21.309   1.6033 1.821005 2.415016 
1 1 1   14   12   29 o   40.912   0.8033  225.002   8.8267  238.757   11.403  204.441   13.942   42.133   1.0077   38.966   1.3321 3.167072 1.670305 
1 1 1   14   12   30 o   43.098   0.7593  249.679   8.7889  245.486   11.803  254.898   13.168   42.718   1.0287   43.521   1.1265 -0.8037529 1.525501 
1 1 1   14   12   31 o   70.403   0.8805  666.575   16.650  669.049   23.250  663.970   23.854   70.488   1.2281   70.214   1.2649 0.2738419 1.762957 
1 1 1   14   12   32 o   28.993   0.8968  113.060   6.9833  115.802   9.6627  110.062   10.104   29.322   1.2269   28.580   1.3163 0.7421341 1.799393 
1 1 1   14   12   33 o   29.875   0.8843  120.051   7.0956  106.953   9.7680  134.684   10.325   28.172   1.2909   31.620   1.2157 -3.448189 1.773217 
1 1 1   14   12   34 o   71.021   0.9254  678.644   17.652  695.782   26.643  665.237   23.565   71.829   1.3810   70.262   1.2487 1.567749 1.861839 
1 1 1   14   12   35 o   19.911   1.1770   53.597   6.2666   48.429   8.3133   60.399   9.5366   18.859   1.6580   21.071   1.6996 -2.211426 2.374359 
1 1 1   14   12   36 f   57.795   0.8351  449.342   12.964  451.536   17.604  446.741   19.162   57.896   1.1321   57.570   1.2392 0.3258209 1.678478 
1 1 1   14   12   37 o   10.552   1.9906   15.590   5.4350   13.376   6.7171   19.787   9.2488   9.7229   2.5431   11.782   2.9339 -2.058930 3.882653 
1 1 1   14   12   38 o   32.236   0.8927  139.858   7.7292  132.024   9.8652  152.312   12.438   31.295   1.1736   33.590   1.3787 -2.294661 1.810562 
1 1 1   14   12   39 o   29.841   0.8770  119.860   7.0288  116.524   8.4186  127.535   12.771   29.407   1.0659   30.668   1.5555 -1.261330 1.885617 
1 1 1   14   12   40 o   43.014   0.8932  249.117   10.319  236.934   13.665  265.282   15.740   41.904   1.2142   44.320   1.3222 -2.416458 1.795137 
1 1 1   14   12   41 o   48.188   0.8170  312.565   10.574  325.784   14.374  296.976   15.610   49.152   1.0888   46.900   1.2392 2.251873 1.649596 
1 1 1   14   12   42 o   69.994   0.8422  659.651   15.833  653.782   21.789  666.216   23.045   69.600   1.1656   70.241   1.2215 -0.6416168 1.688404 
1 1 1   14   12   43 o   45.089   0.8558  273.788   10.364  262.010   13.942  288.336   15.495   44.054   1.1783   46.199   1.2487 -2.145348 1.716851 
1 1 1   14   12   44 o   29.239   0.9565  115.216   7.5118  110.080   9.8812  122.248   11.562   28.538   1.2891   30.052   1.4325 -1.513336 1.927123 
1 1 1   14   12   45 o   24.834   1.0829   83.203   7.2229   77.791   9.4238   90.908   11.245   23.922   1.4739   25.834   1.6290 -1.912323 2.196772 
1 1 1   14   12   46 o   29.273   1.0055  115.555   7.9055  121.118   10.503  108.285   12.008   29.928   1.3066   28.207   1.5914 1.720198 2.059078 
1 1 1   14   12   47 o   21.485   1.3489   62.725   7.7447   70.707   10.643   53.742   11.291   22.728   1.7572   19.691   2.1708 3.036579 2.792871 
1 1 1   14   12   48 o   16.835   1.8163   39.092   8.0826   39.857   9.8612   37.525   14.109   16.891   2.2279   16.010   3.3867 0.8812218 4.053835 
1 1 1   14   12   49 o   32.096   1.3954  139.835   12.030  137.395   14.522  145.170   21.476   31.686   1.7127   32.241   2.4996 -0.5542564 3.030068 
1 1 1   14   12   50 o   34.248   2.0292  162.203   18.583  172.801   24.242  147.100   28.938   35.037   2.5944   31.762   3.4474 3.275457 4.314612 
1 1 1   14   12   51 o   26.128   2.5174   96.757   17.448   93.820   24.602   99.730   24.749   24.937   3.7927   25.805   3.6746 -0.8681812 5.280817 
1 1 1   14   12   52 f   32.096   2.1562  144.430   18.480   63.310   33.298  180.541   22.216   18.622   5.9196   35.779   2.3243 -17.15789 6.359606 
1 1 1   14   12   53 o   30.950   1.7953  133.130   14.860  123.788   21.111  142.305   20.922   29.214   2.7218   31.522   2.4915 -2.307953 3.689938 
1 1 1   14   12   54 o   8.2025   3.6405  -0.6375   16.002   0.0000   0.0000  -0.6375   16.002  ?   ?    8.2025   3.6405 0.000000 3.640457 
1 1 1   14   13  -53 o   10.080   4.3953   5.9180   22.390   0.0000   0.0000   5.9180   22.390  ?   ?    10.080   4.3953 0.000000 4.395319 
1 1 1   14   13  -52 o   10.737   4.5468   10.050   22.674   0.0000   0.0000   10.050   22.674  ?   ?    10.737   4.5468 0.000000 4.546843 
1 1 1   14   13  -51 o   14.110   3.3043   30.287   12.303   30.312   18.202   30.266   16.693   13.767   4.3767   13.797   4.1595 -0.3041935E-01 6.037964 
1 1 1   14   13  -50 o   21.427   2.4108   65.072   13.633   86.781   20.493   47.834   18.261   24.321   3.2159   17.568   3.9641 6.753300 5.104548 
1 1 1   14   13  -49 o   8.2652   3.3768   4.8457   11.879 -12.6811   15.917   26.879   17.846   7.1591   3.3446   13.339   4.3429 -6.179729 5.481498 
1 1 1   14   13  -48 o   31.418   1.7519  135.263   14.725  124.009   19.195  151.357   22.953   29.810   2.4182   32.845   2.6238 -3.035152 3.568189 
1 1 1   14   13  -47 o   32.772   1.0605  145.044   9.3350  152.014   11.464  131.328   16.082   33.509   1.2737   30.924   1.9462 2.585672 2.325953 
1 1 1   14   13  -46 o   32.876   0.9071  145.686   8.0100  138.717   10.346  156.113   12.655   32.035   1.2024   33.948   1.3879 -1.912884 1.836346 
1 1 1   14   13  -45 f   37.767   0.8634  192.149   8.7577  183.638   11.698  203.004   13.211   36.871   1.1812   38.749   1.2693 -1.877975 1.733904 
1 1 1   14   13  -44 o   28.994   0.9941  113.349   7.7414  124.454   10.494  100.089   11.467   30.340   1.2877   27.118   1.5812 3.222023 2.039178 
1 1 1   14   13  -43 o   21.547   1.1326   62.842   6.5320   64.551   8.0402   59.523   11.202   21.798   1.3804   20.787   2.0324 1.010868 2.456869 
1 1 1   14   13  -42 o   7.1124   2.3911   6.5428   5.3980   3.9478   6.3481   13.318   10.257   6.5611   2.5359   9.9394   3.2952 -3.378313 4.158021 
1 1 1   14   13  -41 o   32.529   0.9041  142.541   7.8990  147.639   9.8589  133.402   13.200   33.079   1.1096   31.371   1.5666 1.707973 1.919779 
1 1 1   14   13  -40 o   50.212   0.8287  339.439   11.176  348.276   14.710  327.373   17.188   50.818   1.0777   49.223   1.3001 1.595570 1.688671 
1 1 1   14   13  -39 o   54.537   0.8658  400.441   12.682  403.915   17.198  396.302   18.775   54.715   1.1703   54.170   1.2904 0.5450439 1.742026 
1 1 1   14   13  -38 o   42.714   0.8145  245.522   9.3448  251.619   12.179  236.796   14.571   43.211   1.0494   41.882   1.2953 1.329529 1.667035 
1 1 1   14   13  -37 o   31.166   0.9409  130.775   7.8763  127.892   9.8990  135.749   13.003   30.796   1.1968   31.687   1.5278 -0.8908310 1.940705 
1 1 1   14   13  -36 o   16.100   1.2462   35.164   5.3472   41.635   6.7982   24.664   8.6593   17.498   1.4598   13.227   2.5296 4.270316 2.920583 
1 1 1   14   13  -35 o   26.415   0.8493   93.878   6.0256  103.345   7.7084   79.008   9.6615   27.703   1.0360   24.141   1.4974 3.561815 1.820868 
1 1 1   14   13  -34 o   18.220   1.0584   44.853   5.1574   48.621   6.0356   34.658   9.9285   18.958   1.1914   15.779   2.4198 3.178660 2.697192 
1 1 1   14   13  -33 o   27.472   0.9059  101.547   6.6846  110.445   8.4022   86.204   11.033   28.638   1.0923   25.206   1.6386 3.432585 1.969314 
1 1 1   14   13  -32 o   34.050   0.8229  155.936   7.5262  174.007   9.6304  127.582   12.063   35.957   0.9972   30.750   1.4606 5.206367 1.768503 
1 1 1   14   13  -31 o   52.755   0.7444  374.191   10.548  377.369   13.359  368.929   17.191   52.961   0.9391   52.332   1.2230 0.6287537 1.542007 
1 1 1   14   13  -30 o   13.323   1.4690   24.226   5.1695   37.683   6.2719  -4.2904   9.1297   16.660   1.4150   6.0181   2.7048 10.64146 3.052562 
1 1 1   14   13  -29 o   7.6972   2.2497   8.1727   4.9439   3.6320   5.6240   23.614   10.371   6.2619   2.3955   12.901   3.0424 -6.639549 3.872274 
1 1 1   14   13  -28 o   7.6916   2.1529   8.2286   4.6235   10.936   5.5128   1.8083   8.4891   8.8246   2.3018   6.8531   2.8332 1.971448 3.650419 
1 1 1   14   13  -27 o   35.524   0.8150  169.643   7.7765  168.774   10.002  170.972   12.366   35.421   1.0513   35.637   1.2920 -0.2151146 1.665630 
1 1 1   14   13  -26 o   70.363   0.9323  665.664   17.619  689.627   23.375  634.135   26.812   71.589   1.2156   68.619   1.4548 2.970024 1.895814 
1 1 1   14   13  -25 o   16.136   1.3805   35.305   5.9257   36.539   7.9153   33.732   8.9382   16.360   1.8328   15.654   2.1854 0.7058802 2.852241 
1 1 1   14   13  -24 o   49.836   0.7882  333.774   10.550  337.903   14.410  329.005   15.488   50.128   1.0703   49.458   1.1659 0.6703720 1.582664 
1 1 1   14   13  -23 o   37.572   0.7552  189.689   7.6211  179.093   10.378  202.091   11.228   36.496   1.0587   38.768   1.0782 -2.271706 1.511133 
1 1 1   14   13  -22 o  104.894   0.9618  1478.98   27.098  1476.71   38.175  1481.28   38.471  104.766   1.3567  104.927   1.3651 -0.1607895 1.924564 
1 1 1   14   13  -21 o   35.541   0.8977  169.770   8.5695  171.237   11.504  167.941   12.845   35.684   1.2002   35.333   1.3535 0.3514862 1.809048 
1 1 1   14   13  -20 o   28.139   0.9145  106.413   6.9120  107.137   8.4742  104.973   11.947   28.229   1.1177   27.880   1.6022 0.3486958 1.953481 
1 1 1   14   13  -19 o   45.593   0.7997  279.315   9.7927  269.478   13.664  289.701   14.041   44.770   1.1363   46.420   1.1262 -1.649952 1.599853 
1 1 1   14   13  -18 o   69.846   0.8185  655.514   15.356  627.928   22.383  680.042   21.106   68.338   1.2195   71.125   1.1048 -2.786987 1.645505 
1 1 1   14   13  -17 o  106.216   1.0117  1516.32   28.863  1537.87   43.097  1498.79   38.866  106.917   1.5007  105.565   1.3708 1.352013 2.032532 
1 1 1   14   13  -16 o   73.555   0.8561  726.983   16.913  738.928   22.019  709.793   26.415   74.143   1.1057   72.651   1.3537 1.492805 1.747849 
1 1 1   14   13  -15 o   14.783   1.2105   29.576   4.7645   32.901   6.2746   25.049   7.3221   15.566   1.5202   13.479   2.0901 2.086433 2.584516 
1 1 1   14   13  -14 o   64.864   0.7884  565.254   13.735  551.616   20.328  576.712   18.632   64.060   1.1814   65.507   1.0589 -1.447014 1.586558 
1 1 1   14   13  -13 o   54.811   0.7614  403.612   11.209  408.056   16.809  400.053   15.041   55.100   1.1358   54.561   1.0264 0.5388908 1.530867 
1 1 1   14   13  -12 o   91.453   0.8735  1123.73   21.457  1119.72   30.273  1127.78   30.416   91.269   1.2349   91.597   1.2363 -0.3281555 1.747436 
1 1 1   14   13  -11 o   71.962   0.7755  695.695   14.989  693.241   21.147  698.172   21.249   71.823   1.0962   72.078   1.0976 -0.2549362 1.551275 
1 1 1   14   13  -10 o   54.728   0.7240  402.347   10.643  392.960   15.016  411.823   15.087   54.077   1.0338   55.361   1.0146 -1.283318 1.448508 
1 1 1   14   13   -9 o   35.231   0.8527  166.750   8.0686  152.732   11.785  179.118   11.070   33.709   1.3017   36.509   1.1289 -2.799900 1.723010 
1 1 1   14   13   -8 o  127.150   1.1960  2172.72   40.843  2158.45   64.217  2182.42   52.929  126.663   1.8876  127.402   1.5468 -0.7388077 2.440367 
1 1 1   14   13   -7 o   87.632   0.9289  1031.73   21.864  1053.16   34.757  1017.70   28.125   88.510   1.4620   87.022   1.2033 1.488342 1.893544 
1 1 1   14   13   -6 o   55.091   0.8204  407.714   12.139  421.716   21.098  400.784   14.842   56.012   1.4024   54.616   1.0118 1.395645 1.729286 
1 1 1   14   13   -5 o   71.797   0.8865  692.523   17.096  722.817   29.826  677.698   20.864   73.326   1.5144   71.018   1.0938 2.307625 1.868117 
1 1 1   14   13   -4 o   24.857   0.9110   83.010   6.0825   75.568   9.5396   88.109   7.8957   23.661   1.5089   25.607   1.1480 -1.945297 1.896000 
1 1 1   14   13   -3 o   76.509   0.8665  786.367   17.806  794.687   28.301  780.915   22.909   76.893   1.3703   76.235   1.1188 0.6587677 1.769027 
1 1 1   14   13   -2 o  107.211   1.0551  1544.35   30.382  1588.21   48.669  1516.36   38.890  108.683   1.6673  106.217   1.3632 2.465775 2.153594 
1 1 1   14   13   -1 o   44.090   0.8386  261.140   9.9312  279.101   14.613  245.723   13.538   45.574   1.1938   42.762   1.1787 2.811531 1.677644 
1 1 1   14   13    0 o   68.904   0.9253  637.834   17.124  656.748   24.511  619.802   23.933   69.905   1.3055   67.910   1.3121 1.995026 1.850894 
1 1 1   14   13    1 o   53.510   0.7865  384.628   11.303  396.515   16.219  373.403   15.761   54.323   1.1116   52.716   1.1132 1.606991 1.573142 
1 1 1   14   13    2 o  101.037   1.1331  1371.70   30.750  1374.79   43.493  1368.63   43.480  101.122   1.6013  100.895   1.6045 0.2269363 2.266833 
1 1 1   14   13    3 o   91.477   1.0022  1124.29   24.624  1162.11   37.520  1095.67   32.636   92.977   1.5024   90.290   1.3458 2.687920 2.017015 
1 1 1   14   13    4 o  165.976   1.4892  3703.23   66.388  3805.32  106.583  3638.51   84.860  168.123   2.3603  164.465   1.9210 3.657364 3.043266 
1 1 1   14   13    5 o   42.785   0.8775  245.927   10.084  230.396   16.425  255.324   12.776   41.399   1.4771   43.591   1.0912 -2.192017 1.836478 
1 1 1   14   13    6 o  176.677   1.7582  4198.10   83.431  4198.24  166.361  4198.05   96.435  176.298   3.5133  176.633   2.0327 -0.3347473 4.058930 
1 1 1   14   13    7 o  230.799   2.1130  7169.21  130.989  7185.76  227.036  7160.95  160.372  230.566   3.6661  230.541   2.5899 0.2421570E-01 4.488686 
1 1 1   14   13    8 o   55.272   0.7812  410.400   11.598  425.312   18.284  400.361   15.002   56.255   1.2101   54.586   1.0232 1.669312 1.584709 
1 1 1   14   13    9 o   64.546   0.8112  559.695   14.063  548.446   21.862  567.636   18.367   63.878   1.2742   64.995   1.0521 -1.116703 1.652465 
1 1 1   14   13   10 o   48.805   0.7371  319.973   9.6621  326.192   14.347  314.810   13.071   49.268   1.0842   48.403   1.0054 0.8650017 1.478592 
1 1 1   14   13   11 o   86.656   0.8510  1008.88   19.807  996.654   27.855  1021.39   28.171   86.111   1.2044   87.173   1.2032 -1.061913 1.702367 
1 1 1   14   13   12 o   40.246   0.7191  217.589   7.7736  223.539   10.915  211.465   11.074   40.786   0.9964   39.669   1.0393 1.117802 1.439782 
1 1 1   14   13   13 o  112.427   1.0005  1698.54   30.213  1679.01   42.432  1718.63   43.029  111.743   1.4138  113.053   1.4171 -1.310669 2.001706 
1 1 1   14   13   14 o   57.549   0.8048  444.968   12.440  438.017   15.777  456.393   20.228   57.090   1.0289   58.263   1.2926 -1.173328 1.652092 
1 1 1   14   13   15 o   41.720   0.7485  233.840   8.3873  226.403   11.916  241.142   11.807   41.042   1.0810   42.359   1.0378 -1.316292 1.498519 
1 1 1   14   13   16 o   86.254   0.9772  999.836   22.639  1006.97   30.644  991.267   33.591   86.536   1.3184   85.846   1.4568 0.6895294 1.964851 
1 1 1   14   13   17 o   71.414   0.9000  685.336   17.263  695.193   23.460  673.696   25.494   71.907   1.2147   70.778   1.3411 1.129364 1.809399 
1 1 1   14   13   18 o   41.738   0.8076  234.071   9.0537  233.711   13.958  234.332   11.896   41.690   1.2465   41.753   1.0607 -0.6261444E-01 1.636756 
1 1 1   14   13   19 o   45.141   0.7621  273.788   9.2395  278.377   12.318  267.886   13.970   45.509   1.0078   44.637   1.1652 0.8722725 1.540584 
1 1 1   14   13   20 o   40.150   0.7796  216.610   8.4068  221.335   11.072  210.177   12.919   40.578   1.0159   39.534   1.2166 1.043995 1.584959 
1 1 1   14   13   21 o   41.978   0.9317  236.846   10.504  229.662   13.647  247.291   16.456   41.324   1.2295   42.870   1.4291 -1.546059 1.885212 
1 1 1   14   13   22 o   41.284   0.8826  229.068   9.7865  218.725   14.390  237.969   13.349   40.322   1.3287   42.066   1.1815 -1.744083 1.778021 
1 1 1   14   13   23 o   54.827   0.7791  403.948   11.473  381.153   15.088  435.201   17.667   53.243   1.0551   56.886   1.1563 -3.643135 1.565298 
1 1 1   14   13   24 o   65.003   0.8415  567.911   14.692  557.468   20.535  578.862   21.029   64.377   1.1876   65.600   1.1935 -1.223137 1.683695 
1 1 1   14   13   25 o   51.190   0.7483  352.154   10.289  360.127   14.318  343.642   14.795   51.750   1.0301   50.548   1.0897 1.202221 1.499523 
1 1 1   14   13   26 o   77.053   0.9659  798.343   19.991  795.371   29.990  800.720   26.818   76.849   1.4529   77.130   1.2946 -0.2804489 1.945980 
1 1 1   14   13   27 o   56.671   0.7960  431.715   12.116  447.167   16.085  411.448   18.421   57.658   1.0386   55.288   1.2405 2.369518 1.617898 
1 1 1   14   13   28 o   59.195   0.7601  471.015   12.085  471.724   16.780  470.250   17.421   59.213   1.0551   59.116   1.0972 0.9695435E-01 1.522142 
1 1 1   14   13   29 o   31.173   0.8736  130.678   7.3145  128.968   9.2538  133.526   11.941   30.955   1.1130   31.476   1.4124 -0.5210934 1.798243 
1 1 1   14   13   30 o   74.092   0.8470  738.246   16.855  743.572   22.889  731.937   24.912   74.316   1.1467   73.713   1.2583 0.6027222 1.702420 
1 1 1   14   13   31 o   20.977   1.0274   59.226   5.7889   54.327   7.3663   67.137   9.3611   20.027   1.3778   22.247   1.5769 -2.219959 2.094014 
1 1 1   14   13   32 o   31.203   0.8746  130.971   7.3294  128.568   10.233  133.502   10.503   30.890   1.2333   31.476   1.2424 -0.5864315 1.750624 
1 1 1   14   13   33 o   6.5629   2.4281   4.5923   5.6727   13.193   7.7025  -5.6013   8.3856   9.7141   2.7992   5.5177   2.5238 4.196433 3.768986 
1 1 1   14   13   34 o   51.492   0.7640  356.569   10.566  367.801   15.028  345.588   14.860   52.261   1.0706   50.655   1.0922 1.605545 1.529409 
1 1 1   14   13   35 o   53.260   0.7600  381.509   10.872  391.451   13.858  365.596   17.533   53.927   0.9568   52.072   1.2536 1.854454 1.577033 
1 1 1   14   13   36 o   12.547   1.4877   21.562   4.9161   24.060   5.7145   14.446   9.6433   13.238   1.6425   10.239   3.1760 2.999228 3.575568 
1 1 1   14   13   37 o   56.064   0.8093  422.908   12.187  435.751   14.894  396.890   21.199   56.884   0.9748   54.198   1.4563 2.686859 1.752418 
1 1 1   14   13   38 o   43.628   0.7745  256.098   9.0754  267.858   11.351  235.261   15.110   44.598   0.9476   41.737   1.3479 2.861088 1.647637 
1 1 1   14   13   39 o   66.057   0.9082  587.635   16.113  597.695   22.154  576.335   23.479   66.540   1.2396   65.312   1.3384 1.227821 1.824254 
1 1 1   14   13   40 o   30.144   0.9316  122.411   7.5424  137.775   9.8411  100.537   11.742   31.954   1.1466   27.186   1.6154 4.767706 1.980953 
1 1 1   14   13   41 o   21.891   1.1126   64.826   6.5203   61.555   8.3034   70.087   10.531   21.274   1.4621   22.649   1.7445 -1.375326 2.276150 
1 1 1   14   13   42 o   33.178   0.9152  148.318   8.1554  144.211   10.734  153.926   12.543   32.673   1.2231   33.728   1.3846 -1.054955 1.847458 
1 1 1   14   13   43 o   44.413   0.8325  265.632   9.9302  267.663   13.388  263.147   14.806   44.532   1.1193   44.128   1.2492 0.4044075 1.677297 
1 1 1   14   13   44 o   20.705   1.2102   58.108   6.7008   53.089   8.5999   65.863   10.690   19.710   1.6394   21.924   1.8322 -2.214245 2.458575 
1 1 1   14   13   45 f   17.544   1.7133   42.227   7.9702   57.222   12.279   31.310   10.477   20.299   2.2924   14.823   2.7322 5.475206 3.566464 
1 1 1   14   13   46 o   13.301   2.0513   24.739   7.0925   24.504   9.8484   24.992   10.223   13.026   2.8904   13.140   2.9668 -0.1137495 4.142046 
1 1 1   14   13   47 o   7.4156   2.7977   5.8221   7.6049  -5.7374   10.161   20.544   11.467   6.1339   2.7950   11.869   3.4140 -5.735465 4.412200 
1 1 1   14   13   48 o   39.460   1.3152  211.162   13.939  224.895   21.932  201.855   18.055   40.458   2.0183   38.438   1.7488 2.020363 2.670552 
1 1 1   14   13   49 o   6.6928   3.0514  -6.2651   12.130  -5.8282   15.662  -6.9200   19.177   7.7757   3.5141   8.5430   3.8722 -0.7672544 5.229043 
1 1 1   14   13   50 o   12.417   3.6257   23.403   12.847   26.381   18.996   20.892   17.439   13.152   4.4852   12.037   4.2846 1.114610 6.202830 
1 1 1   14   13   51 o   11.904   3.9667   21.506   14.857   17.772   19.130   27.180   23.583   11.518   4.4152   13.320   4.9463 -1.802200 6.630178 
1 1 1   14   13   52 o   5.2743   2.6155 -30.0693   14.041 -25.3163   16.788 -41.1300   25.611   6.3147   3.0755   7.4757   3.6737 -1.161007 4.791173 
1 1 1   14   13   53 o   11.836   4.2040   22.107   16.781   0.0000   0.0000   22.107   16.781  ?   ?    11.836   4.2040 0.000000 4.204038 
1 1 1   14   14    0 o   53.023   1.0201  377.674   14.527  382.371   21.081  373.427   20.047   53.343   1.4714   52.717   1.4158 0.6263657 2.041918 
1 1 1   14   14    1 o   42.538   0.7196  243.073   8.2217  253.215   11.973  234.024   11.310   43.409   1.0269   41.733   1.0090 1.676952 1.439639 
1 1 1   14   14    2 o  112.505   1.0469  1700.88   31.634  1674.34   42.475  1733.95   47.406  111.595   1.4171  113.551   1.5544 -1.956047 2.103363 
1 1 1   14   14    3 o   39.535   0.8509  209.998   9.0354  198.430   12.248  223.811   13.384   38.424   1.1868   40.806   1.2211 -2.382458 1.702814 
1 1 1   14   14    4 o   87.988   0.9855  1040.29   23.291  1034.84   35.083  1044.59   31.145   87.725   1.4889   88.150   1.3154 -0.4249268 1.986791 
1 1 1   14   14    5 o   93.414   0.9266  1172.48   23.249  1183.76   34.771  1163.36   31.265   93.833   1.3797   93.030   1.2513 0.8027725 1.862549 
1 1 1   14   14    6 o  119.840   1.0476  1930.00   33.721  1922.68   47.628  1937.35   47.748  119.573   1.4830  120.028   1.4811 -0.4554596 2.095927 
1 1 1   14   14    7 o  105.960   0.9608  1508.68   27.344  1505.66   38.703  1511.68   38.638  105.823   1.3617  106.035   1.3567 -0.2118530 1.922163 
1 1 1   14   14    8 o   82.619   0.8277  917.102   18.368  918.306   26.063  915.915   25.889   82.655   1.1740   82.548   1.1677 0.1072922 1.655808 
1 1 1   14   14    9 f   54.124   0.7186  393.547   10.446  396.025   14.859  391.125   14.689   54.285   1.0191   53.948   1.0137 0.3366623 1.437439 
1 1 1   14   14   10 o   7.5256   2.1505   7.8085   4.5639   19.512   6.1550  -6.4855   6.8022   11.876   2.0007   4.7084   2.1952 7.167553 2.970168 
1 1 1   14   14   11 o   20.413   0.9808   56.000   5.3775   48.506   7.3699   64.532   7.8640   18.934   1.4604   21.865   1.3456 -2.930996 1.985818 
1 1 1   14   14   12 o  175.917   1.4339  4162.44   67.752  4139.45   95.434  4185.80   96.202  175.296   2.0269  176.273   2.0319 -0.9772797 2.870043 
1 1 1   14   14   13 o  102.180   0.9406  1403.13   25.814  1412.30   36.599  1394.05   36.414  102.479   1.3297  101.814   1.3316 0.6644745 1.881787 
1 1 1   14   14   14 o   21.245   0.9686   60.660   5.5269   59.489   7.4260   62.113   8.2751   20.990   1.3240   21.439   1.4455 -0.4490433 1.960169 
1 1 1   14   14   15 o   87.482   0.9823  1028.61   23.082  1040.34   28.490  1006.20   39.376   87.961   1.2059   86.454   1.6957 1.507202 2.080792 
1 1 1   14   14   16 o   28.055   1.0209  105.802   7.6928  110.793   10.349   99.640   11.500   28.700   1.3426   27.163   1.5831 1.537212 2.075742 
1 1 1   14   14   17 f   44.113   0.8913  261.529   10.561  275.384   14.719  246.825   15.162   45.253   1.2109   42.837   1.3178 2.415936 1.789691 
1 1 1   14   14   18 o   71.688   0.8189  690.609   15.768  669.185   20.934  718.705   23.972   70.549   1.1047   73.103   1.2209 -2.554367 1.646522 
1 1 1   14   14   19 o   50.560   0.7336  343.482   9.9628  352.991   14.020  333.782   14.160   51.242   1.0187   49.826   1.0581 1.415794 1.468741 
1 1 1   14   14   20 o   10.352   1.9343   14.912   5.1802   2.5483   7.0097   29.790   7.6893   6.4952   2.6157   14.731   1.9948 -8.235378 3.289515 
1 1 1   14   14   21 o   72.683   0.7943  709.954   15.506  701.191   21.709  719.081   22.155   72.208   1.1193   73.122   1.1281 -0.9145279 1.589160 
1 1 1   14   14   22 o   30.087   0.8893  121.683   7.1867  126.921   10.506  117.077   9.8522   30.713   1.2736   29.499   1.2435 1.213699 1.779994 
1 1 1   14   14   23 o   12.950   1.8630   23.081   6.2936   13.780   7.8615   39.680   10.502   9.9503   2.8152   16.968   2.3690 -7.017957 3.679366 
1 1 1   14   14   24 o   88.633   1.0765  1056.70   25.627  1050.50   41.396  1060.55   32.632   88.258   1.7463   88.751   1.3689 -0.4930038 2.218905 
1 1 1   14   14   25 o   23.309   1.1257   73.105   7.0476   86.140   10.601   62.781   9.4341   25.231   1.5722   21.515   1.6450 3.715628 2.275451 
1 1 1   14   14   26 o   44.499   0.7986  266.204   9.5447  262.409   13.921  269.572   13.112   44.153   1.1738   44.759   1.0907 -0.6055908 1.602334 
1 1 1   14   14   27 f   55.652   0.7945  416.409   11.877  418.557   17.430  414.547   16.227   55.759   1.1638   55.500   1.0885 0.2592773 1.593546 
1 1 1   14   14   28 o   9.7396   2.2378   13.372   5.7309   12.375   7.1514   15.161   9.5808   9.4191   2.6921   10.471   3.1500 -1.051933 4.143626 
1 1 1   14   14   29 o   34.280   0.8766  158.070   8.0714  168.293   11.582  148.415   11.255   35.345   1.2200   33.188   1.2626 2.156612 1.755673 
1 1 1   14   14   30 o   28.538   0.9899  109.611   7.5880  101.178   11.451  116.212   10.132   27.330   1.5665   29.363   1.2846 -2.033487 2.025922 
1 1 1   14   14   31 f   4.6556   2.0982  -2.8201   5.5381  -0.8621   7.6001  -5.0369   8.0868   5.9679   2.5816   5.4732   2.4938 0.4947028 3.589391 
1 1 1   14   14   32 o   49.838   0.9055  334.237   12.122  334.961   20.388  333.842   15.076   49.801   1.5242   49.782   1.1275 0.1989365E-01 1.895920 
1 1 1   14   14   33 o   30.741   0.8918  127.170   7.3634  130.505   9.9275  123.091   10.978   31.117   1.1878   30.204   1.3532 0.9129601 1.800586 
1 1 1   14   14   34 o   22.920   1.0407   70.756   6.4068   67.546   8.1564   75.926   10.352   22.330   1.3665   23.636   1.6408 -1.306673 2.135340 
1 1 1   14   14   35 o   29.616   0.9640  118.104   7.6682  121.789   9.5820  111.539   12.788   30.054   1.1870   28.658   1.6686 1.396032 2.047748 
1 1 1   14   14   36 o   20.758   1.1316   58.267   6.2854   55.764   7.4017   64.739   11.902   20.274   1.3672   21.720   2.0650 -1.446339 2.476612 
1 1 1   14   14   37 f   19.514   1.1766   51.556   6.1381   55.370   7.3603   42.846   11.123   20.198   1.3648   17.536   2.4265 2.662018 2.783989 
1 1 1   14   14   38 o   42.939   0.9233  248.360   10.649  251.072   13.467  243.836   17.396   43.134   1.1624   42.434   1.5263 0.6999435 1.918538 
1 1 1   14   14   39 o   22.114   1.1008   65.978   6.5384   66.192   7.9534   65.530   11.484   22.085   1.3473   21.842   1.9790 0.2424717 2.394063 
1 1 1   14   14   40 o   21.074   1.1374   60.119   6.4138   61.807   7.6945   56.276   11.610   21.334   1.3498   20.171   2.1776 1.163252 2.561965 
1 1 1   14   14   41 o   49.491   0.8707  329.962   11.575  317.537   14.914  348.781   18.354   48.496   1.1450   50.774   1.3459 -2.278202 1.767022 
1 1 1   14   14   42 o   18.709   1.2313   47.505   6.1531   49.953   7.6900   43.148   10.258   19.138   1.5082   17.615   2.2173 1.522844 2.681603 
1 1 1   14   14   43 o   23.244   1.1227   72.939   7.0087   77.012   9.1930   67.286   10.831   23.800   1.4449   22.154   1.8367 1.645533 2.336984 
1 1 1   14   14   44 o   28.833   0.9673  112.099   7.4911  118.815   9.7871  102.599   11.640   29.647   1.2291   27.445   1.5858 2.201401 2.006388 
1 1 1   14   14   45 o   23.855   1.0511   76.818   6.7344   68.553   8.4537   91.173   11.141   22.446   1.4094   25.850   1.6126 -3.403990 2.141697 
1 1 1   14   14   46 o   25.836   1.3662   90.756   9.4467   88.898   11.991   93.796   15.337   25.466   1.7640   26.012   2.2164 -0.5455723 2.832693 
1 1 1   14   14   47 o   39.487   1.5955  212.532   16.921  205.203   21.547  224.327   27.333   38.546   2.0890   40.037   2.5551 -1.491219 3.300411 
1 1 1   14   14   48 o   9.7056   3.5474   11.951   12.050   23.174   17.327   1.4377   16.769   12.554   4.2836   8.9061   3.8437 3.647564 5.755283 
1 1 1   14   14   49 o   9.8171   3.5354   12.828   11.907   3.8531   17.125   21.228   16.566   9.2263   3.9309   12.016   4.1845 -2.789955 5.741269 
1 1 1   14   14   50 o   8.7700   3.4869   7.7485   12.294   31.697   17.852 -13.8526   16.955   14.026   4.3164   7.2282   3.4007 6.797828 5.495129 
1 1 1   14   14   51 o   19.917   4.8470   68.080   25.684   0.0000   0.0000   68.080   25.684  ?   ?    19.917   4.8470 0.000000 4.847035 
1 1 1   14   14   52 o   11.057   4.5593   14.970   21.906   0.0000   0.0000   14.970   21.906  ?   ?    11.057   4.5593 0.000000 4.559311 
1 1 1   15    0  -58 o   7.8050   4.7670   11.604   18.955   11.604   18.955   11.604   18.955   7.8050   4.7670   7.8050   4.7670 0.000000 0.000000 
1 1 1   15    0  -57 o   11.116   4.9515   26.622   15.671   26.622   15.671   26.622   15.671   11.116   4.9515   11.116   4.9515 0.000000 0.000000 
1 1 1   15    0  -56 o   44.432   1.2786  267.864   15.230  267.864   15.230  267.864   15.230   44.432   1.2786   44.432   1.2786 0.000000 0.000000 
1 1 1   15    0  -55 o   37.039   1.4368  186.568   14.245  186.568   14.245  186.568   14.245   37.039   1.4368   37.039   1.4368 0.000000 0.000000 
1 1 1   15    0  -54 o   23.494   1.7355   76.072   10.814   76.072   10.814   76.072   10.814   23.494   1.7355   23.494   1.7355 0.000000 0.000000 
1 1 1   15    0  -53 o   24.387   1.8356   82.003   11.867   82.003   11.867   82.003   11.867   24.387   1.8356   24.387   1.8356 0.000000 0.000000 
1 1 1   15    0  -52 o   13.289   3.0308   27.560   9.4262   27.560   9.4262   27.560   9.4262   13.289   3.0308   13.289   3.0308 0.000000 0.000000 
1 1 1   15    0  -51 o   39.981   1.7605  217.683   18.822  217.683   18.822  217.683   18.822   39.981   1.7605   39.981   1.7605 0.000000 0.000000 
1 1 1   15    0  -50 o   63.235   1.1825  539.471   20.068  539.471   20.068  539.471   20.068   63.235   1.1825   63.235   1.1825 0.000000 0.000000 
1 1 1   15    0  -49 o   44.202   1.1934  263.841   14.144  263.841   14.144  263.841   14.144   44.202   1.1934   44.202   1.1934 0.000000 0.000000 
1 1 1   15    0  -48 o   51.464   1.1549  357.238   15.945  357.238   15.945  357.238   15.945   51.464   1.1549   51.464   1.1549 0.000000 0.000000 
1 1 1   15    0  -47 o   57.628   1.1508  447.651   17.797  447.651   17.797  447.651   17.797   57.628   1.1508   57.628   1.1508 0.000000 0.000000 
1 1 1   15    0  -46 o   13.505   2.5847   27.241   8.3807   27.241   8.3807   27.241   8.3807   13.505   2.5847   13.505   2.5847 0.000000 0.000000 
1 1 1   15    0  -45 o   27.517   1.5905  103.089   11.665  103.089   11.665  103.089   11.665   27.517   1.5905   27.517   1.5905 0.000000 0.000000 
1 1 1   15    0  -44 o   62.534   1.1343  526.609   19.038  526.609   19.038  526.609   19.038   62.534   1.1343   62.534   1.1343 0.000000 0.000000 
1 1 1   15    0  -43 o   18.158   1.7364   45.648   8.2910   45.648   8.2910   45.648   8.2910   18.158   1.7364   18.158   1.7364 0.000000 0.000000 
1 1 1   15    0  -42 o   29.989   1.3597  121.782   10.901  121.782   10.901  121.782   10.901   29.989   1.3597   29.989   1.3597 0.000000 0.000000 
1 1 1   15    0  -41 o   30.870   1.6066  129.359   13.239  129.359   13.239  129.359   13.239   30.870   1.6066   30.870   1.6066 0.000000 0.000000 
1 1 1   15    0  -40 o   60.421   1.5752  492.391   25.524  492.391   25.524  492.391   25.524   60.421   1.5752   60.421   1.5752 0.000000 0.000000 
1 1 1   15    0  -39 o   98.154   1.3246  1296.36   34.907  1296.36   34.907  1296.36   34.907   98.154   1.3246   98.154   1.3246 0.000000 0.000000 
1 1 1   15    0  -38 o   15.312   2.1184   33.335   8.2368   33.335   8.2368   33.335   8.2368   15.312   2.1184   15.312   2.1184 0.000000 0.000000 
1 1 1   15    0  -37 o   3.5615   2.3515  -1.3083   5.8135  -1.3083   5.8135  -1.3083   5.8135   3.5615   2.3515   3.5615   2.3515 0.000000 0.000000 
1 1 1   15    0  -36 o   23.712   1.5001   76.496   9.4664   76.496   9.4664   76.496   9.4664   23.712   1.5001   23.712   1.5001 0.000000 0.000000 
1 1 1   15    0  -35 o   53.743   1.1710  388.689   16.886  388.689   16.886  388.689   16.886   53.743   1.1710   53.743   1.1710 0.000000 0.000000 
1 1 1   15    0  -34 o   38.102   1.1906  195.653   12.157  195.653   12.157  195.653   12.157   38.102   1.1906   38.102   1.1906 0.000000 0.000000 
1 1 1   15    0  -33 o   14.004   1.7504   27.576   6.3058   27.576   6.3058   27.576   6.3058   14.004   1.7504   14.004   1.7504 0.000000 0.000000 
1 1 1   15    0  -32 o  106.036   1.3616  1511.69   38.766  1511.69   38.766  1511.69   38.766  106.036   1.3616  106.036   1.3616 0.000000 0.000000 
1 1 1   15    0  -31 o   5.9667   2.7669   6.9913   4.9066   6.9913   4.9066   6.9913   4.9066   5.9667   2.7669   5.9667   2.7669 0.000000 0.000000 
1 1 1   15    0  -30 o  139.385   1.6669  2612.15   62.385  2612.15   62.385  2612.15   62.385  139.385   1.6669  139.385   1.6669 0.000000 0.000000 
1 1 1   15    0  -29 o  107.393   1.6525  1550.92   47.642  1550.92   47.642  1550.92   47.642  107.393   1.6525  107.393   1.6525 0.000000 0.000000 
1 1 1   15    0  -28 o  206.197   2.3374  5718.18  129.416  5718.18  129.416  5718.18  129.416  206.197   2.3374  206.197   2.3374 0.000000 0.000000 
1 1 1   15    0  -27 o   68.946   1.6116  639.707   29.808  639.707   29.808  639.707   29.808   68.946   1.6116   68.946   1.6116 0.000000 0.000000 
1 1 1   15    0  -26 o  176.116   2.4967  4171.70  118.048  4171.70  118.048  4171.70  118.048  176.116   2.4967  176.116   2.4967 0.000000 0.000000 
1 1 1   15    0  -25 o   19.977   2.0832   55.349   10.899   55.349   10.899   55.349   10.899   19.977   2.0832   19.977   2.0832 0.000000 0.000000 
1 1 1   15    0  -24 o   43.128   1.6050  250.900   18.534  250.900   18.534  250.900   18.534   43.128   1.6050   43.128   1.6050 0.000000 0.000000 
1 1 1   15    0  -23 o  328.714   4.4408 14547.62  391.920 14547.62  391.920 14547.62  391.920  328.714   4.4408  328.714   4.4408 0.000000 0.000000 
1 1 1   15    0  -22 o   20.089   1.9697   55.763   10.394   55.763   10.394   55.763   10.394   20.089   1.9697   20.089   1.9697 0.000000 0.000000 
1 1 1   15    0  -21 o  170.785   2.4234  3921.29  111.116  3921.29  111.116  3921.29  111.116  170.785   2.4234  170.785   2.4234 0.000000 0.000000 
1 1 1   15    0  -20 o   95.681   1.5638  1230.67   40.164  1230.67   40.164  1230.67   40.164   95.681   1.5638   95.681   1.5638 0.000000 0.000000 
1 1 1   15    0  -19 o  346.894   4.6727 16193.55  435.192 16193.55  435.192 16193.55  435.192  346.894   4.6727  346.894   4.6727 0.000000 0.000000 
1 1 1   15    0  -18 o   24.978   2.3012   85.929   15.137   85.929   15.137   85.929   15.137   24.978   2.3012   24.978   2.3012 0.000000 0.000000 
1 1 1   15    0  -17 o  125.598   2.1671  2121.00   73.057  2121.00   73.057  2121.00   73.057  125.598   2.1671  125.598   2.1671 0.000000 0.000000 
1 1 1   15    0  -16 o   31.608   1.3628  134.933   11.521  134.933   11.521  134.933   11.521   31.608   1.3628   31.608   1.3628 0.000000 0.000000 
1 1 1   15    0  -15 o   10.524   3.2580   18.589   8.0628   18.589   8.0628   18.589   8.0628   10.524   3.2580   10.524   3.2580 0.000000 0.000000 
1 1 1   15    0  -14 o  140.023   2.0417  2635.35   76.752  2635.35   76.752  2635.35   76.752  140.023   2.0417  140.023   2.0417 0.000000 0.000000 
1 1 1   15    0  -13 o  278.281   3.7769 10413.51  282.182 10413.51  282.182 10413.51  282.182  278.281   3.7769  278.281   3.7769 0.000000 0.000000 
1 1 1   15    0  -12 o  156.648   2.2394  3298.29   94.176  3298.29   94.176  3298.29   94.176  156.648   2.2394  156.648   2.2394 0.000000 0.000000 
1 1 1   15    0  -11 o  177.357   3.5300  4231.98  168.008  4231.98  168.008  4231.98  168.008  177.357   3.5300  177.357   3.5300 0.000000 0.000000 
1 1 1   15    0  -10 o  232.085   3.1809  7241.23  198.201  7241.23  198.201  7241.23  198.201  232.085   3.1809  232.085   3.1809 0.000000 0.000000 
1 1 1   15    0   -9 o  110.574   1.3740  1642.90   40.793  1642.90   40.793  1642.90   40.793  110.574   1.3740  110.574   1.3740 0.000000 0.000000 
1 1 1   15    0   -8 o   79.188   1.1025  842.677   23.439  842.677   23.439  842.677   23.439   79.188   1.1025   79.188   1.1025 0.000000 0.000000 
1 1 1   15    0   -7 o  124.212   1.4982  2073.08   49.966  2073.08   49.966  2073.08   49.966  124.212   1.4982  124.212   1.4982 0.000000 0.000000 
1 1 1   15    0   -6 o  131.985   1.9392  2341.31   68.710  2341.31   68.710  2341.31   68.710  131.985   1.9392  131.985   1.9392 0.000000 0.000000 
1 1 1   15    0   -5 o  254.787   2.8284  8723.92  193.502  8723.92  193.502  8723.92  193.502  254.787   2.8284  254.787   2.8284 0.000000 0.000000 
1 1 1   15    0   -4 o   15.526   1.3063   33.059   5.3591   33.059   5.3591   33.059   5.3591   15.526   1.3063   15.526   1.3063 0.000000 0.000000 
1 1 1   15    0   -3 o   32.978   1.0567  146.506   9.3383  146.506   9.3383  146.506   9.3383   32.978   1.0567   32.978   1.0567 0.000000 0.000000 
1 1 1   15    0   -2 o   88.773   1.4535  1059.27   34.637  1059.27   34.637  1059.27   34.637   88.773   1.4535   88.773   1.4535 0.000000 0.000000 
1 1 1   15    0   -1 o  193.056   2.3960  5008.58  124.198  5008.58  124.198  5008.58  124.198  193.056   2.3960  193.056   2.3960 0.000000 0.000000 
1 1 1   15    0    0 o  204.526   2.3048  5620.87  126.574  5620.87  126.574  5620.87  126.574  204.526   2.3048  204.526   2.3048 0.000000 0.000000 
1 1 1   15    0    1 o  171.331   2.4082  3945.30  110.771  3945.30  110.771  3945.30  110.771  171.331   2.4082  171.331   2.4082 0.000000 0.000000 
1 1 1   15    0    2 o  123.513   2.1160  2050.86   70.150  2050.86   70.150  2050.86   70.150  123.513   2.1160  123.513   2.1160 0.000000 0.000000 
1 1 1   15    0    3 o  281.067   3.1057 10616.81  234.394 10616.81  234.394 10616.81  234.394  281.067   3.1057  281.067   3.1057 0.000000 0.000000 
1 1 1   15    0    4 o  128.046   1.6820  2203.26   57.824  2203.26   57.824  2203.26   57.824  128.046   1.6820  128.046   1.6820 0.000000 0.000000 
1 1 1   15    0    5 o  193.491   2.3994  5031.33  124.652  5031.33  124.652  5031.33  124.652  193.491   2.3994  193.491   2.3994 0.000000 0.000000 
1 1 1   15    0    6 o   10.401   2.6274   17.033   6.3473   17.033   6.3473   17.033   6.3473   10.401   2.6274   10.401   2.6274 0.000000 0.000000 
1 1 1   15    0    7 o  168.052   1.9346  3794.83   87.297  3794.83   87.297  3794.83   87.297  168.052   1.9346  168.052   1.9346 0.000000 0.000000 
1 1 1   15    0    8 o  277.878   3.0737 10377.99  229.345 10377.99  229.345 10377.99  229.345  277.878   3.0737  277.878   3.0737 0.000000 0.000000 
1 1 1   15    0    9 o  230.402   2.5761  7133.98  159.375  7133.98  159.375  7133.98  159.375  230.402   2.5761  230.402   2.5761 0.000000 0.000000 
1 1 1   15    0   10 o   69.500   1.1399  649.247   21.266  649.247   21.266  649.247   21.266   69.500   1.1399   69.500   1.1399 0.000000 0.000000 
1 1 1   15    0   11 o   39.817   1.7053  214.114   18.161  214.114   18.161  214.114   18.161   39.817   1.7053   39.817   1.7053 0.000000 0.000000 
1 1 1   15    0   12 o  281.057   3.4066 10619.50  257.075 10619.50  257.075 10619.50  257.075  281.057   3.4066  281.057   3.4066 0.000000 0.000000 
1 1 1   15    0   13 o  208.028   2.3451  5815.62  130.996  5815.62  130.996  5815.62  130.996  208.028   2.3451  208.028   2.3451 0.000000 0.000000 
1 1 1   15    0   14 o  303.434   3.6656 12379.35  298.650 12379.35  298.650 12379.35  298.650  303.434   3.6656  303.434   3.6656 0.000000 0.000000 
1 1 1   15    0   15 o   44.486   1.1849  266.358   14.136  266.358   14.136  266.358   14.136   44.486   1.1849   44.486   1.1849 0.000000 0.000000 
1 1 1   15    0   16 o  330.861   3.6374 14717.87  323.152 14717.87  323.152 14717.87  323.152  330.861   3.6374  330.861   3.6374 0.000000 0.000000 
1 1 1   15    0   17 o   37.022   1.0996  184.571   10.912  184.571   10.912  184.571   10.912   37.022   1.0996   37.022   1.0996 0.000000 0.000000 
1 1 1   15    0   18 o   54.025   1.0683  392.451   15.488  392.451   15.488  392.451   15.488   54.025   1.0683   54.025   1.0683 0.000000 0.000000 
1 1 1   15    0   19 o   20.071   1.3388   54.827   7.1436   54.827   7.1436   54.827   7.1436   20.071   1.3388   20.071   1.3388 0.000000 0.000000 
1 1 1   15    0   20 o   32.753   1.1145  144.584   9.7784  144.584   9.7784  144.584   9.7784   32.753   1.1145   32.753   1.1145 0.000000 0.000000 
1 1 1   15    0   21 o   43.871   1.1793  259.062   13.873  259.062   13.873  259.062   13.873   43.871   1.1793   43.871   1.1793 0.000000 0.000000 
1 1 1   15    0   22 o   42.673   1.2100  245.167   13.844  245.167   13.844  245.167   13.844   42.673   1.2100   42.673   1.2100 0.000000 0.000000 
1 1 1   15    0   23 o  262.409   2.9184  9258.71  205.636  9258.71  205.636  9258.71  205.636  262.409   2.9184  262.409   2.9184 0.000000 0.000000 
1 1 1   15    0   24 o  339.366   4.0932 15502.48  372.972 15502.48  372.972 15502.48  372.972  339.366   4.0932  339.366   4.0932 0.000000 0.000000 
1 1 1   15    0   25 o   91.648   1.5315  1129.29   37.675  1129.29   37.675  1129.29   37.675   91.648   1.5315   91.648   1.5315 0.000000 0.000000 
1 1 1   15    0   26 o  158.457   2.0295  3375.66   86.346  3375.66   86.346  3375.66   86.346  158.457   2.0295  158.457   2.0295 0.000000 0.000000 
1 1 1   15    0   27 o   96.714   1.2854  1257.16   33.376  1257.16   33.376  1257.16   33.376   96.714   1.2854   96.714   1.2854 0.000000 0.000000 
1 1 1   15    0   28 o   30.179   1.4767  123.238   11.904  123.238   11.904  123.238   11.904   30.179   1.4767   30.179   1.4767 0.000000 0.000000 
1 1 1   15    0   29 o  203.456   2.3113  5567.96  126.266  5567.96  126.266  5567.96  126.266  203.456   2.3113  203.456   2.3113 0.000000 0.000000 
1 1 1   15    0   30 o   26.522   1.2452   95.124   8.8257   95.124   8.8257   95.124   8.8257   26.522   1.2452   26.522   1.2452 0.000000 0.000000 
1 1 1   15    0   31 o   84.080   1.2021  950.384   27.136  950.384   27.136  950.384   27.136   84.080   1.2021   84.080   1.2021 0.000000 0.000000 
1 1 1   15    0   32 o   11.411   3.0044   20.775   7.9554   20.775   7.9554   20.775   7.9554   11.411   3.0044   11.411   3.0044 0.000000 0.000000 
1 1 1   15    0   33 o   20.932   1.6390   59.977   9.0850   59.977   9.0850   59.977   9.0850   20.932   1.6390   20.932   1.6390 0.000000 0.000000 
1 1 1   15    0   34 o   48.811   1.1525  320.672   15.091  320.672   15.091  320.672   15.091   48.811   1.1525   48.811   1.1525 0.000000 0.000000 
1 1 1   15    0   35 o   19.410   1.5628   51.628   8.0258   51.628   8.0258   51.628   8.0258   19.410   1.5628   19.410   1.5628 0.000000 0.000000 
1 1 1   15    0   36 o   46.798   1.0781  294.765   13.535  294.765   13.535  294.765   13.535   46.798   1.0781   46.798   1.0781 0.000000 0.000000 
1 1 1   15    0   37 o   13.766   2.2679   27.498   7.7011   27.498   7.7011   27.498   7.7011   13.766   2.2679   13.766   2.2679 0.000000 0.000000 
1 1 1   15    0   38 o   20.893   1.5164   59.632   8.4065   59.632   8.4065   59.632   8.4065   20.893   1.5164   20.893   1.5164 0.000000 0.000000 
1 1 1   15    0   39 o   6.4080   3.3179   8.1151   7.3671   8.1151   7.3671   8.1151   7.3671   6.4080   3.3179   6.4080   3.3179 0.000000 0.000000 
1 1 1   15    0   40 o   17.693   2.0306   43.826   9.3203   43.826   9.3203   43.826   9.3203   17.693   2.0306   17.693   2.0306 0.000000 0.000000 
1 1 1   15    0   41 o   5.9967   3.2842   6.8276   7.5763   6.8276   7.5763   6.8276   7.5763   5.9967   3.2842   5.9967   3.2842 0.000000 0.000000 
1 1 1   15    0   42 o   6.5497   3.6019   8.1431   9.1561   8.1431   9.1561   8.1431   9.1561   6.5497   3.6019   6.5497   3.6019 0.000000 0.000000 
1 1 1   15    0   43 o   7.1416   3.8404   9.9703   10.178   9.9703   10.178   9.9703   10.178   7.1416   3.8404   7.1416   3.8404 0.000000 0.000000 
1 1 1   15    0   44 o   40.927   1.1760  225.937   12.903  225.937   12.903  225.937   12.903   40.927   1.1760   40.927   1.1760 0.000000 0.000000 
1 1 1   15    0   45 o   60.827   1.1636  498.445   18.995  498.445   18.995  498.445   18.995   60.827   1.1636   60.827   1.1636 0.000000 0.000000 
1 1 1   15    0   46 o   21.179   1.7311   61.731   9.6960   61.731   9.6960   61.731   9.6960   21.179   1.7311   21.179   1.7311 0.000000 0.000000 
1 1 1   15    0   47 o   4.6989   3.0362  -0.0241   8.9633  -0.0241   8.9633  -0.0241   8.9633   4.6989   3.0362   4.6989   3.0362 0.000000 0.000000 
1 1 1   15    0   48 o   38.214   1.1915  197.283   12.203  197.283   12.203  197.283   12.203   38.214   1.1915   38.214   1.1915 0.000000 0.000000 
1 1 1   15    0   49 o   27.612   1.4927  103.822   10.997  103.822   10.997  103.822   10.997   27.612   1.4927   27.612   1.4927 0.000000 0.000000 
1 1 1   15    0   50 o   4.4664   2.9136  -0.6494   8.5274  -0.6494   8.5274  -0.6494   8.5274   4.4664   2.9136   4.4664   2.9136 0.000000 0.000000 
1 1 1   15    0   51 o   39.647   1.3541  212.869   14.382  212.869   14.382  212.869   14.382   39.647   1.3541   39.647   1.3541 0.000000 0.000000 
1 1 1   15    0   52 o   16.612   2.4203   39.879   10.130   39.879   10.130   39.879   10.130   16.612   2.4203   16.612   2.4203 0.000000 0.000000 
1 1 1   15    0   53 o   63.380   1.4002  543.428   23.810  543.428   23.810  543.428   23.810   63.380   1.4002   63.380   1.4002 0.000000 0.000000 
1 1 1   15    0   54 o   10.090   4.3301   20.378   12.014   20.378   12.014   20.378   12.014   10.090   4.3301   10.090   4.3301 0.000000 0.000000 
1 1 1   15    0   55 o   6.7220   4.1276   6.2780   14.383   6.2780   14.383   6.2780   14.383   6.7220   4.1276   6.7220   4.1276 0.000000 0.000000 
1 1 1   15    0   56 o   50.039   1.4285  340.383   19.164  340.383   19.164  340.383   19.164   50.039   1.4285   50.039   1.4285 0.000000 0.000000 
1 1 1   15    0   57 o   20.160   2.8167   59.950   14.399   59.950   14.399   59.950   14.399   20.160   2.8167   20.160   2.8167 0.000000 0.000000 
1 1 1   15    0   58 o   6.8263   4.0976   8.6422   13.507   8.6422   13.507   8.6422   13.507   6.8263   4.0976   6.8263   4.0976 0.000000 0.000000 
1 1 1   15    0   59 o   6.0454   3.7595   5.4591   12.303   5.4591   12.303   5.4591   12.303   6.0454   3.7595   6.0454   3.7595 0.000000 0.000000 
1 1 1   15    0   60 o   12.334   4.2674   29.693   12.746   29.693   12.746   29.693   12.746   12.334   4.2674   12.334   4.2674 0.000000 0.000000 
1 1 1   15    1  -58 o   31.202   2.2214  135.914   18.495  117.563   22.254  176.900   33.258   28.603   2.9384   34.575   3.6358 -5.971586 4.674735 
1 1 1   15    1  -57 o   24.979   2.0900   86.556   13.893   88.016   25.710   85.954   16.512   24.157   4.1097   24.714   2.5229 -0.5573158 4.822293 
1 1 1   15    1  -56 o   36.188   1.0487  176.865   10.193  183.043   14.369  170.605   14.463   36.719   1.4569   35.433   1.5197 1.286266 2.105255 
1 1 1   15    1  -55 o   21.721   1.3166   64.066   7.6450   72.277   10.811   55.853   10.813   22.980   1.7650   20.119   2.0286 2.860912 2.688999 
1 1 1   15    1  -54 o   41.381   0.9040  230.669   10.048  225.164   14.124  236.309   14.297   40.820   1.2882   41.821   1.2728 -1.001198 1.810950 
1 1 1   15    1  -53 o   19.640   1.5540   52.540   8.1304   38.693   12.447   62.845   10.738   16.516   2.9122   21.425   1.8852 -4.908985 3.469122 
1 1 1   15    1  -52 o   13.440   2.3257   25.343   8.0917   34.897   11.422   15.717   11.465   15.705   2.8111   10.737   3.4799 4.967137 4.473485 
1 1 1   15    1  -51 o   18.856   1.3741   48.278   6.9115   49.302   9.7686   47.251   9.7802   18.954   1.9465   18.541   1.9953 0.4127083 2.787512 
1 1 1   15    1  -50 o   52.413   0.9832  370.012   13.841  349.026   20.916  386.360   18.460   50.799   1.5329   53.503   1.2846 -2.704250 2.000019 
1 1 1   15    1  -49 o   35.528   0.8754  169.897   8.3535  174.143   11.895  165.764   11.734   35.930   1.2326   35.054   1.2463 0.8768768 1.752850 
1 1 1   15    1  -48 o   60.842   0.8146  498.030   13.311  497.438   18.882  498.615   18.769   60.750   1.1572   60.823   1.1489 -0.7339478E-01 1.630658 
1 1 1   15    1  -47 o   37.578   0.8382  189.971   8.4604  181.380   12.202  197.923   11.741   36.680   1.2386   38.328   1.1405 -1.647385 1.683661 
1 1 1   15    1  -46 o   19.668   1.2092   52.317   6.3570   56.212   8.9946   48.429   8.9858   20.329   1.6618   18.837   1.7979 1.491844 2.448253 
1 1 1   15    1  -45 o   55.869   0.8167  419.758   12.255  409.053   16.734  432.139   17.997   55.117   1.1303   56.644   1.1829 -1.526829 1.636131 
1 1 1   15    1  -44 o   37.416   0.9447  188.336   9.4938  193.392   13.798  183.790   13.083   37.881   1.3561   36.932   1.3189 0.9488297 1.891723 
1 1 1   15    1  -43 o   38.172   0.8099  195.916   8.3034  190.309   11.639  201.727   11.849   37.599   1.1525   38.712   1.1396 -1.112514 1.620817 
1 1 1   15    1  -42 o   28.501   1.0963  109.312   8.3919  120.366   13.210  101.832   10.866   29.823   1.6556   27.446   1.4795 2.376812 2.220386 
1 1 1   15    1  -41 o   29.354   1.0503  115.919   8.2806  117.368   12.414  114.757   11.114   29.463   1.5744   29.186   1.4178 0.2776890 2.118709 
1 1 1   15    1  -40 o   26.399   0.9717   93.718   6.8900   97.860   9.8603   89.767   9.6316   26.924   1.3680   25.780   1.3962 1.143234 1.954679 
1 1 1   15    1  -39 o   33.353   0.8484  149.534   7.6003  149.425   9.9965  149.683   11.701   33.330   1.1167   33.349   1.3063 -0.1897430E-01 1.718503 
1 1 1   15    1  -38 o   55.675   0.7668  416.556   11.467  405.535   15.656  429.315   16.844   54.917   1.0614   56.501   1.1099 -1.583839 1.535727 
1 1 1   15    1  -37 o   49.270   0.9943  326.317   13.158  308.527   18.374  345.046   18.853   47.883   1.4286   50.641   1.3860 -2.757622 1.990498 
1 1 1   15    1  -36 o   24.972   0.8479   83.798   5.6869   88.792   8.0748   78.882   8.0106   25.698   1.1699   24.188   1.2371 1.509708 1.702688 
1 1 1   15    1  -35 o   72.928   0.7915  714.607   15.504  723.904   22.014  705.459   21.838   73.383   1.1169   72.442   1.1223 0.9412842 1.583380 
1 1 1   15    1  -34 o   53.221   0.7194  380.535   10.283  381.902   14.488  379.147   14.599   53.307   1.0119   53.114   1.0233 0.1930199 1.439104 
1 1 1   15    1  -33 o  169.207   1.6961  3852.31   77.086  3782.57  107.815  3925.25  110.257  167.511   2.3963  170.638   2.4057 -3.127625 3.395531 
1 1 1   15    1  -32 o  102.994   0.9842  1425.42   27.227  1402.12   40.041  1445.46   37.132  102.113   1.4599  103.690   1.3333 -1.577408 1.977126 
1 1 1   15    1  -31 o   18.655   0.8610   46.757   4.3140   45.518   6.0589   48.031   6.1437   18.361   1.2358   18.865   1.2190 -0.5035114 1.735850 
1 1 1   15    1  -30 o   69.363   0.7584  646.308   14.129  643.931   19.951  648.700   20.013   69.225   1.0730   69.481   1.0724 -0.2559052 1.517025 
1 1 1   15    1  -29 o   74.660   0.8734  748.824   17.513  779.646   28.948  731.028   21.996   76.160   1.4151   73.760   1.1103 2.400505 1.798687 
1 1 1   15    1  -28 o   54.879   1.3113  404.727   19.329  417.997   27.725  392.180   26.960   55.753   1.8515   54.004   1.8587 1.749512 2.623477 
1 1 1   15    1  -27 o   23.980   1.2305   77.465   7.8987   89.897   11.402   65.992   10.953   25.808   1.6535   22.076   1.8646 3.732012 2.492170 
1 1 1   15    1  -26 o  105.923   1.1939  1507.39   33.966  1500.10   47.890  1514.77   48.182  105.645   1.6877  106.160   1.6898 -0.5152512 2.388263 
1 1 1   15    1  -25 o  304.996   2.9214 12519.99  239.321 12577.11  339.388 12463.50  337.523  305.354   4.1381  303.973   4.1340 1.380859 5.849292 
1 1 1   15    1  -24 o   29.720   1.1123  118.655   8.8790  111.705   12.389  125.993   12.731   28.787   1.6088   30.582   1.5551 -1.794479 2.237500 
1 1 1   15    1  -23 o  199.863   1.9699  5368.75  105.747  5443.24  150.767  5296.62  148.360  201.163   2.7904  198.436   2.7836 2.727112 3.941396 
1 1 1   15    1  -22 o  211.508   2.0721  6012.66  117.713  6058.13  167.079  5967.85  165.870  212.221   2.9312  210.634   2.9319 1.587372 4.145811 
1 1 1   15    1  -21 o  142.934   1.4770  2744.70   56.703  2783.51   80.865  2707.14   79.532  143.914   2.0920  141.926   2.0863 1.987747 2.954552 
1 1 1   15    1  -20 o   81.972   1.1757  902.592   25.886  944.752   37.741  865.141   35.571   83.856   1.6757   80.245   1.6504 3.610367 2.351953 
1 1 1   15    1  -19 o  254.799   2.4586  8726.48  168.262  8676.14  237.027  8777.62  238.900  253.952   3.4750  255.432   3.4822 -1.479935 4.919462 
1 1 1   15    1  -18 o   98.363   1.2022  1299.60   31.761  1338.51   49.283  1271.96   41.538   99.811   1.8384   97.304   1.5893 2.507393 2.430137 
1 1 1   15    1  -17 o  244.512   3.3451  8040.64  219.685  7930.93  308.087  8154.11  313.343  242.664   4.7269  246.052   4.7413 -3.388474 6.695071 
1 1 1   15    1  -16 o   91.906   1.0779  1134.51   26.609  1134.96   37.603  1134.06   37.659   91.917   1.5231   91.881   1.5260 0.3651428E-01 2.156035 
1 1 1   15    1  -15 o  348.436   3.3135 16325.87  310.103 16258.66  437.395 16393.80  439.716  347.491   4.6864  348.931   4.6918 -1.440125 6.631390 
1 1 1   15    1  -14 o   24.269   1.2571   79.324   8.1663   78.646   11.478   80.019   11.621   24.129   1.7837   24.339   1.7903 -0.2103825 2.527143 
1 1 1   15    1  -13 o  329.401   3.1369 14587.91  277.539 14721.96  394.731 14456.85  390.305  330.726   4.4437  327.736   4.4339 2.989807 6.277400 
1 1 1   15    1  -12 o  110.777   1.2052  1648.29   35.860  1643.75   50.611  1652.86   50.818  110.616   1.7035  110.922   1.7057 -0.3060379 2.410652 
1 1 1   15    1  -11 o  182.423   1.8056  4470.71   88.468  4532.69  126.174  4410.78  124.076  183.650   2.5579  181.164   2.5499 2.486008 3.611786 
1 1 1   15    1  -10 o  233.558   2.2598  7329.77  141.764  7239.75  177.954  7486.10  234.529  232.081   2.8548  235.927   3.7011 -3.845108 4.674158 
1 1 1   15    1   -9 o  259.017   2.4868  9015.42  173.009  8995.47  244.391  9035.45  244.954  258.650   3.5179  259.224   3.5182 -0.5740356 4.975224 
1 1 1   15    1   -8 o   30.299   0.8520  123.298   6.9339  129.672   10.459  118.300   9.2616   31.071   1.2533   29.678   1.1619 1.393389 1.708999 
1 1 1   15    1   -7 o  135.650   1.1870  2471.51   43.246  2416.62   63.290  2519.59   59.230  134.124   1.7569  136.955   1.6102 -2.831131 2.383114 
1 1 1   15    1   -6 o   24.110   0.7076   78.066   4.5823   79.605   6.5151   76.559   6.4462   24.346   0.9963   23.875   1.0052 0.4703903 1.415346 
1 1 1   15    1   -5 o  122.484   1.3749  2015.11   45.232  2031.22   69.240  2003.12   59.741  122.958   2.0966  122.111   1.8215 0.8474579 2.777303 
1 1 1   15    1   -4 o  493.071   3.7955 32693.18  502.656 32605.68  709.581 32781.32  712.151  492.084   5.3687  493.406   5.3737 -1.322418 7.596066 
1 1 1   15    1   -3 o  208.654   1.7337  5848.38   97.161  5770.23  142.876  5915.61  132.520  207.222   2.5670  209.827   2.3514 -2.604324 3.481203 
1 1 1   15    1   -2 o   81.250   0.9172  886.637   20.016  880.567   29.876  891.580   26.961   80.968   1.3738   81.474   1.2320 -0.5061035 1.845317 
1 1 1   15    1   -1 o  188.802   1.5143  4788.10   76.792  4774.37  108.412  4801.93  108.789  188.512   2.1411  189.056   2.1424 -0.5433807 3.028940 
1 1 1   15    1    0 o  247.295   2.0304  8215.77  134.860  8348.08  202.029  8109.43  181.120  249.224   3.0181  245.653   2.7451 3.571289 4.079739 
1 1 1   15    1    1 o  226.780   1.7921  6908.65  109.159  6933.02  154.737  6884.50  154.012  227.148   2.5363  226.352   2.5333 0.7960205 3.584697 
1 1 1   15    1    2 o  196.388   1.5696  5180.67   82.795  5141.54  116.569  5220.51  117.619  195.624   2.2186  197.120   2.2215 -1.496643 3.139622 
1 1 1   15    1    3 o  190.102   1.5245  4854.28   77.839  4866.96  110.311  4841.71  109.853  190.330   2.1578  189.835   2.1545 0.4942627 3.049273 
1 1 1   15    1    4 o  127.137   1.1821  2171.02   40.365  2143.41   56.704  2199.39   57.474  126.318   1.6713  127.957   1.6723 -1.638855 2.364287 
1 1 1   15    1    5 o  182.104   1.4670  4454.40   71.752  4536.57  102.543  4375.57  100.437  183.757   2.0776  180.467   2.0721 3.289932 2.934277 
1 1 1   15    1    6 o  187.152   1.5038  4704.87   75.590  4657.61  106.208  4753.37  107.607  186.189   2.1238  188.094   2.1300 -1.903976 3.007874 
1 1 1   15    1    7 o  213.786   1.8598  6140.06  106.795  6179.31  151.614  6101.40  150.453  214.431   2.6324  213.076   2.6289 1.355927 3.720338 
1 1 1   15    1    8 o   37.813   0.9212  192.034   9.3557  181.846   11.583  211.154   15.868   36.795   1.1720   39.648   1.4901 -2.852818 1.895790 
1 1 1   15    1    9 o  274.816   2.2454 10147.61  165.738 10126.71  245.548 10165.10  224.623  274.450   3.3311  274.995   3.0412 -0.5450439 4.510495 
1 1 1   15    1   10 o  251.116   2.0620  8472.45  139.075  8625.56  190.391  8297.28  203.641  253.326   2.7982  248.439   3.0518 4.887238 4.140429 
1 1 1   15    1   11 o  100.340   0.9489  1352.24   25.574  1336.80   37.708  1365.40   34.802   99.760   1.4073  100.823   1.2851 -1.063255 1.905797 
1 1 1   15    1   12 o   65.388   0.8811  574.235   15.475  580.178   19.578  564.339   25.263   65.723   1.1091   64.817   1.4511 0.9064331 1.826430 
1 1 1   15    1   13 o  179.394   1.6740  4323.29   80.660  4347.79  121.397  4303.92  107.928  179.866   2.5129  178.969   2.2452 0.8968658 3.369806 
1 1 1   15    1   14 o  155.757   1.4043  3258.79   58.751  3266.52   83.208  3251.10   82.965  155.924   1.9868  155.555   1.9857 0.3682709 2.809002 
1 1 1   15    1   15 o  211.512   1.6833  6010.08   95.629  5986.17  134.893  6034.24  135.589  211.056   2.3796  211.901   2.3823 -0.8454132 3.367173 
1 1 1   15    1   16 o  229.393   1.8150  7069.69  111.827  7138.40  159.162  7002.69  157.153  230.458   2.5713  228.258   2.5633 2.200592 3.630751 
1 1 1   15    1   17 o   51.601   0.7780  357.609   10.783  373.724   14.793  339.336   15.752   52.749   1.0441   50.263   1.1668 2.486221 1.565776 
1 1 1   15    1   18 o  137.015   1.1555  2521.61   42.522  2521.75   60.112  2521.47   60.159  137.006   1.6335  136.999   1.6349 0.7614136E-02 2.311140 
1 1 1   15    1   19 o  259.077   2.2283  9020.56  155.056  9094.52  220.478  8948.18  218.105  260.043   3.1567  257.943   3.1481 2.099579 4.458158 
1 1 1   15    1   20 o  145.006   1.3304  2824.57   51.814  2804.75   72.970  2844.73   73.585  144.476   1.8804  145.502   1.8829 -1.025909 2.661088 
1 1 1   15    1   21 o  153.444   1.3288  3162.94   54.764  3218.15   82.153  3118.78   73.470  154.749   1.9765  152.350   1.7955 2.399155 2.670263 
1 1 1   15    1   22 o  151.247   1.3781  3073.22   55.982  3055.04   88.224  3085.47   72.432  150.759   2.1788  151.531   1.7797 -0.7712402 2.813220 
1 1 1   15    1   23 o  217.374   1.8075  6349.95  105.531  6315.55  155.993  6378.98  143.299  216.697   2.6802  217.809   2.4495 -1.111938 3.630883 
1 1 1   15    1   24 o  202.125   1.6922  5490.22   91.868  5394.57  134.802  5573.17  125.535  200.278   2.5059  203.590   2.2957 -3.312027 3.398533 
1 1 1   15    1   25 o   64.052   0.8796  551.080   15.132  541.753   20.014  563.531   23.123   63.503   1.1734   64.763   1.3293 -1.260582 1.773079 
1 1 1   15    1   26 o   88.223   0.9442  1045.55   22.373  1068.77   29.099  1011.97   34.989   89.190   1.2147   86.778   1.5012 2.411934 1.931051 
1 1 1   15    1   27 o   84.621   0.8790  961.909   19.978  955.802   26.982  969.321   29.723   84.343   1.1910   84.934   1.3029 -0.5904465 1.765265 
1 1 1   15    1   28 o  104.422   1.0501  1464.97   29.451  1477.00   41.777  1453.09   41.523  104.828   1.4838  103.976   1.4869 0.8521118 2.100548 
1 1 1   15    1   29 o   42.103   0.7733  238.121   8.7446  243.822   11.744  231.026   13.101   42.600   1.0264   41.464   1.1763 1.135944 1.561158 
1 1 1   15    1   30 o   31.079   0.8557  129.763   7.1431  136.584   9.6249  121.401   10.657   31.881   1.1240   30.053   1.3203 1.827772 1.733943 
1 1 1   15    1   31 o   50.257   0.7774  339.315   10.494  349.196   14.334  327.898   15.407   50.977   1.0469   49.394   1.1613 1.582504 1.563532 
1 1 1   15    1   32 o   60.123   0.9405  485.710   15.187  483.063   20.198  489.154   23.038   59.946   1.2544   60.315   1.4221 -0.3685226 1.896277 
1 1 1   15    1   33 o   29.024   0.8840  113.190   6.8914  132.022   10.704   99.857   9.0065   31.337   1.2717   27.255   1.2303 4.082581 1.769424 
1 1 1   15    1   34 o   23.576   0.9854   74.695   6.2397   73.148   9.2502   75.987   8.4522   23.273   1.4876   23.735   1.3312 -0.4619770 1.996280 
1 1 1   15    1   35 o   34.798   0.8219  162.701   7.6813  154.672   11.217  169.790   10.541   33.917   1.2313   35.540   1.1042 -1.623058 1.653913 
1 1 1   15    1   36 o   84.664   0.8636  963.260   19.639  949.354   27.616  977.489   27.935   84.024   1.2237   85.260   1.2199 -1.236328 1.727846 
1 1 1   15    1   37 o   22.531   1.0105   68.244   6.1152   64.395   8.6955   72.010   8.6017   21.823   1.4924   23.092   1.3934 -1.269249 2.041778 
1 1 1   15    1   38 o   83.596   0.8615  939.265   19.343  933.093   27.268  945.516   27.444   83.286   1.2190   83.839   1.2187 -0.5526123 1.723721 
1 1 1   15    1   39 o   35.216   0.9139  166.727   8.6443  169.227   12.352  164.326   12.102   35.460   1.2969   34.943   1.2894 0.5168114 1.828790 
1 1 1   15    1   40 o   14.967   1.4195   30.440   5.6381   25.511   7.9109   35.529   8.0375   13.557   2.2516   16.115   1.8930 -2.558391 2.941626 
1 1 1   15    1   41 o   6.6870   2.4805   4.6860   5.9279   7.7962   9.4010   2.6331   7.6377   8.4860   3.1285   6.7311   2.7234 1.754895 4.147808 
1 1 1   15    1   42 o   85.646   0.9984  986.754   22.966  1012.67   34.247  965.577   30.959   86.677   1.4711   84.660   1.3615 2.017029 2.004418 
1 1 1   15    1   43 o   44.924   0.9540  271.482   11.512  274.173   13.847  265.461   20.712   45.131   1.1424   44.339   1.7392 0.7914848 2.080792 
1 1 1   15    1   44 o   54.993   0.8808  406.744   13.010  411.401   16.837  399.843   20.496   55.280   1.1340   54.462   1.4012 0.8174133 1.802529 
1 1 1   15    1   45 o   44.535   0.9552  266.857   11.426  264.660   15.939  269.180   16.389   44.310   1.3392   44.684   1.3656 -0.3735466 1.912670 
1 1 1   15    1   46 o   38.261   0.9156  196.971   9.4093  191.683   11.412  208.197   16.628   37.726   1.1263   39.263   1.5767 -1.537643 1.937654 
1 1 1   15    1   47 o   26.922   1.0331   97.593   7.4700   94.610   9.8663  101.599   11.435   26.442   1.3941   27.378   1.5615 -0.9362240 2.093281 
1 1 1   15    1   48 o   32.476   1.1079  142.113   9.6635  135.344   16.072  145.945   12.094   31.533   1.9065   32.882   1.3694 -1.348112 2.347359 
1 1 1   15    1   49 o   20.704   1.2682   58.051   7.0182   63.603   11.269   54.533   8.9702   21.554   1.9682   19.999   1.6856 1.555241 2.591399 
1 1 1   15    1   50 o   41.734   0.8881  234.468   9.9556  233.441   13.947  235.536   14.216   41.594   1.2484   41.778   1.2669 -0.1833267 1.778606 
1 1 1   15    1   51 o   12.340   2.0782   21.266   6.6431   21.802   9.4130   20.734   9.3767   12.345   2.8900   12.034   2.9287 0.3107786 4.114544 
1 1 1   15    1   52 o   41.810   0.9084  235.367   10.201  232.319   14.381  238.453   14.472   41.483   1.2907   42.029   1.2820 -0.5455704 1.819135 
1 1 1   15    1   53 o   48.857   0.9533  321.540   12.509  300.254   18.496  339.482   16.981   47.115   1.4616   50.144   1.2609 -3.029076 1.930310 
1 1 1   15    1   54 o   39.063   1.0270  205.731   10.775  210.858   14.175  198.715   16.582   39.493   1.3363   38.281   1.6127 1.212036 2.094448 
1 1 1   15    1   55 o   10.639   3.0504   16.215   9.1677   23.943   11.821   4.5540   14.521   12.808   3.3851   8.9844   3.7092 3.823781 5.021688 
1 1 1   15    1   56 o   30.416   1.3740  125.445   11.225  113.605   17.431  133.834   14.672   28.619   2.2868   31.275   1.7537 -2.656385 2.881820 
1 1 1   15    1   57 o   23.615   1.6447   76.466   10.367   75.155   14.104   78.007   15.290   23.187   2.2947   23.563   2.4518 -0.3756218 3.358154 
1 1 1   15    1   58 o   28.144   1.5528  108.504   11.693  107.583   14.128  110.505   20.832   27.891   1.8972   27.789   2.8305 0.1017799 3.407558 
1 1 1   15    1   59 o   5.6925   2.6170  -5.7592   9.1738   1.0404   14.083 -10.7717   12.091   8.1324   3.5161   6.1355   2.8819 1.996865 4.546210 
1 1 1   15    2  -58 o   30.137   2.7549  129.876   22.052  144.000   30.691  114.800   31.707   30.963   3.7681   26.998   4.5333 3.965895 5.894851 
1 1 1   15    2  -57 o   10.307   3.9712   12.121   15.529   13.185   22.453   11.145   21.500   11.517   4.6662   11.105   4.5407 0.4124298 6.510874 
1 1 1   15    2  -56 o   8.3729   3.3072   6.3082   10.992  -0.6219   15.741   12.902   15.355   8.4730   3.6902   10.499   3.9719 -2.025639 5.421596 
1 1 1   15    2  -55 o   39.062   0.9261  205.742   9.7168  221.133   13.838  190.771   13.648   40.425   1.2745   37.529   1.3540 2.895905 1.859419 
1 1 1   15    2  -54 o   22.125   1.5193   66.648   8.9734   81.685   12.870   52.423   12.518   24.395   1.9813   19.380   2.4602 5.014399 3.158861 
1 1 1   15    2  -53 o   15.182   1.9167   31.835   7.6419   26.835   9.6880   40.069   12.433   13.730   2.7232   16.818   2.8544 -3.087965 3.945023 
1 1 1   15    2  -52 o   39.984   0.8917  215.263   9.5767  209.896   13.596  220.547   13.492   39.428   1.2839   40.423   1.2426 -0.9948273 1.786751 
1 1 1   15    2  -51 o   12.444   2.0312   21.589   6.5546   28.834   9.2017   14.125   9.3391   14.321   2.4822   10.097   3.1244 4.223353 3.990422 
1 1 1   15    2  -50 f   46.569   0.8982  291.974   11.235  289.244   17.257  293.983   14.801   46.270   1.3886   46.687   1.1804 -0.4161377 1.822456 
1 1 1   15    2  -49 o   21.649   1.3265   63.509   7.6759   62.620   11.142   64.312   10.590   21.383   1.9618   21.698   1.8343 -0.3153229 2.685784 
1 1 1   15    2  -48 o   12.996   1.8140   23.327   6.1596   35.866   8.8479   11.534   8.5803   16.111   2.0942   9.2761   3.0109 6.835206 3.667540 
1 1 1   15    2  -47 o   48.635   0.8032  318.206   10.492  310.776   14.824  325.665   14.853   48.021   1.1493   49.162   1.1248 -1.140434 1.608168 
1 1 1   15    2  -46 o   7.1396   2.4060   6.4936   5.4656   6.8833   7.6037   6.0770   7.8619   7.7780   2.8217   7.6279   2.8513 0.1500545 4.011416 
1 1 1   15    2  -45 o   16.061   1.3679   35.032   5.8447   39.314   8.3065   30.834   8.2254   16.947   1.8552   14.937   2.1089 2.010183 2.808758 
1 1 1   15    2  -44 o   27.142   1.1569   99.202   8.4340   98.514   11.041  100.166   13.069   26.978   1.5300   27.163   1.8016 -0.1850872 2.363618 
1 1 1   15    2  -43 o   54.581   1.0031  400.846   14.706  416.395   22.983  390.068   19.136   55.558   1.5402   53.805   1.3241 1.753712 2.031126 
1 1 1   15    2  -42 o   37.370   0.8412  187.780   8.4432  202.321   11.513  170.858   12.420   38.772   1.1055   35.615   1.2983 3.156712 1.705236 
1 1 1   15    2  -41 o   21.967   1.0564   64.926   6.2330   58.922   9.2770   69.866   8.4155   20.831   1.6721   22.731   1.3850 -1.899048 2.171242 
1 1 1   15    2  -40 o   29.860   0.8563  119.876   6.8675  114.186   9.5479  125.975   9.8850   29.126   1.2205   30.593   1.2030 -1.467558 1.713695 
1 1 1   15    2  -39 o   26.508   1.0399   94.506   7.4036  105.666   12.059   87.754   9.3796   27.954   1.6129   25.492   1.3750 2.461464 2.119456 
1 1 1   15    2  -38 o   22.432   1.2537   67.917   7.5235   67.846   9.6144   68.030   12.084   22.384   1.6099   22.360   2.0343 0.2407455E-01 2.594286 
1 1 1   15    2  -37 o  113.678   1.0207  1737.41   31.166  1728.58   43.924  1746.36   44.230  113.326   1.4430  113.907   1.4457 -0.5810471 2.042621 
1 1 1   15    2  -36 f   34.675   1.0697  161.647   9.9624  177.176   14.214  146.653   13.967   36.286   1.4585   33.007   1.5755 3.278709 2.146900 
1 1 1   15    2  -35 o   79.787   0.8213  855.412   17.602  854.399   24.834  856.434   24.951   79.717   1.1598   79.812   1.1639 -0.9458160E-01 1.643170 
1 1 1   15    2  -34 o   71.427   0.7775  685.478   14.915  685.699   21.058  685.256   21.129   71.423   1.0977   71.399   1.1018 0.2332306E-01 1.555272 
1 1 1   15    2  -33 f   74.804   0.8630  751.859   17.340  763.741   22.703  735.224   26.863   75.379   1.1214   73.943   1.3526 1.435471 1.756973 
1 1 1   15    2  -32 o   25.315   0.8169   86.099   5.5541   89.310   7.9089   82.975   7.8016   25.777   1.1423   24.846   1.1691 0.9314785 1.634519 
1 1 1   15    2  -31 o  108.897   1.0815  1593.68   31.633  1554.99   50.156  1619.24   40.764  107.508   1.7370  109.743   1.3829 -2.234802 2.220258 
1 1 1   15    2  -30 o   59.689   0.8467  478.656   13.574  473.844   21.524  481.833   17.490   59.371   1.3498   59.879   1.0875 -0.5087929 1.733367 
1 1 1   15    2  -29 o  119.556   1.2990  1921.16   41.714  1924.10   59.054  1918.23   58.930  119.599   1.8384  119.416   1.8373 0.1825638 2.599086 
1 1 1   15    2  -28 o  140.772   1.6942  2664.60   64.059  2734.71  112.347  2630.82   77.977  142.437   2.9366  139.834   2.0762 2.602585 3.596410 
1 1 1   15    2  -27 o  189.709   2.6640  4846.18  135.743  4816.68  191.295  4876.09  192.651  188.879   3.7708  190.039   3.7743 -1.160278 5.335175 
1 1 1   15    2  -26 o   47.481   0.9432  302.857   12.029  303.275   16.932  302.431   17.093   47.507   1.3269   47.441   1.3414 0.6644440E-01 1.886852 
1 1 1   15    2  -25 o   70.051   0.9749  659.180   18.342  662.346   26.075  656.079   25.807   70.209   1.3827   69.876   1.3751 0.3327408 1.950058 
1 1 1   15    2  -24 o   34.034   1.0245  155.599   9.3650  157.839   13.278  153.383   13.210   34.274   1.4424   33.786   1.4557 0.4873886 2.049307 
1 1 1   15    2  -23 o  126.245   1.3456  2141.27   45.627  2112.36   63.987  2171.18   65.080  125.364   1.9003  127.097   1.9064 -1.732986 2.691776 
1 1 1   15    2  -22 o   61.187   1.0126  502.893   16.641  511.854   21.898  490.647   25.601   61.725   1.3208   60.428   1.5773 1.296913 2.057308 
1 1 1   15    2  -21 o  165.491   1.6692  3679.93   74.196  3741.25  105.894  3620.79  103.991  166.820   2.3634  164.112   2.3592 2.707352 3.339357 
1 1 1   15    2  -20 o  241.342   2.3379  7829.60  151.551  7929.59  215.973  7732.59  212.715  242.762   3.3123  239.729   3.3036 3.033325 4.678135 
1 1 1   15    2  -19 o  210.966   2.0646  5981.11  116.989  5956.43  165.030  6006.05  165.867  210.458   2.9195  211.333   2.9221 -0.8745422 4.130654 
1 1 1   15    2  -18 o  144.637   1.4879  2810.38   57.804  2889.44   82.989  2735.88   80.560  146.633   2.1072  142.684   2.1021 3.949417 2.976393 
1 1 1   15    2  -17 o  124.334   1.3215  2076.59   44.131  2034.06   61.693  2121.16   63.155  123.039   1.8668  125.646   1.8714 -2.606621 2.643315 
1 1 1   15    2  -16 o  195.489   2.7231  5137.33  142.982  5200.86  203.613  5075.52  200.829  196.597   3.8560  194.214   3.8499 2.382843 5.448921 
1 1 1   15    2  -15 o   70.849   1.1042  674.205   21.012  682.843   25.901  657.576   35.936   71.298   1.3525   69.959   1.9125 1.339729 2.342406 
1 1 1   15    2  -14 o  184.942   1.8307  4595.27   90.939  4540.91  127.609  4651.37  129.630  183.807   2.5848  186.029   2.5944 -2.221527 3.662234 
1 1 1   15    2  -13 o  120.957   1.3777  1965.28   44.760  1920.02   67.535  2000.74   59.774  119.538   2.1034  122.033   1.8237 -2.494789 2.783903 
1 1 1   15    2  -12 o  204.757   2.0050  5633.06  110.268  5640.78  156.080  5625.37  155.806  204.850   2.8367  204.570   2.8356 0.2800293 4.010984 
1 1 1   15    2  -11 o  165.876   1.5647  3696.15   69.712  3743.60   94.154  3638.57  103.712  166.918   2.1001  164.550   2.3466 2.368469 3.149126 
1 1 1   15    2  -10 o  283.014   2.2109 10762.56  168.059 10667.59  236.309 10859.74  239.056  281.685   3.1234  284.210   3.1316 -2.524750 4.422952 
1 1 1   15    2   -9 f  141.381   1.2305  2684.84   46.726  2658.18   62.848  2717.80   69.871  140.668   1.6634  142.232   1.8290 -1.564285 2.472271 
1 1 1   15    2   -8 o  133.828   1.2317  2405.62   44.275  2392.46   57.029  2425.59   70.246  133.454   1.5910  134.365   1.9464 -0.9114838 2.513950 
1 1 1   15    2   -7 o   58.976   0.8760  467.136   13.877  475.158   21.067  460.989   18.443   59.477   1.3188   58.584   1.1721 0.8923111 1.764339 
1 1 1   15    2   -6 o  102.662   1.0051  1415.54   27.714  1426.67   43.861  1408.15   35.757  103.057   1.5846  102.390   1.3002 0.6670532 2.049725 
1 1 1   15    2   -5 o  134.370   1.3038  2425.15   47.056  2375.84   69.608  2466.66   63.857  132.983   1.9488  135.506   1.7545 -2.522583 2.622254 
1 1 1   15    2   -4 o  160.744   1.3715  3470.71   59.215  3444.18   87.375  3493.24   80.528  160.110   2.0318  161.252   1.8593 -1.142059 2.754105 
1 1 1   15    2   -3 o  129.786   1.2055  2262.45   42.024  2273.07   59.606  2251.96   59.258  130.080   1.7060  129.475   1.7040 0.6052246 2.411269 
1 1 1   15    2   -2 o  187.391   1.5053  4716.91   75.762  4669.53  106.419  4765.59  107.883  186.426   2.1253  188.333   2.1327 -1.907425 3.010885 
1 1 1   15    2   -1 o   63.847   0.7420  547.479   12.724  540.660   18.859  553.177   17.238   63.446   1.1067   64.177   1.0001 -0.7309036 1.491582 
1 1 1   15    2    0 o  249.664   1.9615  8374.17  131.533  8390.83  186.287  8357.61  185.745  249.864   2.7758  249.369   2.7732 0.4949493 3.923734 
1 1 1   15    2    1 o  301.981   2.3517 12253.57  190.747 12234.96  269.481 12272.25  270.033  301.668   3.3259  302.127   3.3276 -0.4591980 4.704750 
1 1 1   15    2    2 o  200.834   1.7561  5418.42   94.729  5399.77  133.739  5437.20  134.197  200.457   2.4840  201.150   2.4839 -0.6935272 3.512789 
1 1 1   15    2    3 o   41.052   0.8129  226.342   8.9630  209.431   12.595  243.693   12.758   39.487   1.1876   42.595   1.1151 -3.108025 1.629030 
1 1 1   15    2    4 o  171.098   1.3881  3932.21   63.790  3970.74   90.728  3894.54   89.705  171.917   1.9649  170.259   1.9616 1.657471 2.776443 
1 1 1   15    2    5 o  262.174   2.1469  9235.03  151.181  9277.89  205.349  9184.30  223.393  262.733   2.9100  261.383   3.1820 1.349670 4.311956 
1 1 1   15    2    6 o  142.091   1.2969  2711.85   49.496  2717.31   70.212  2706.45   69.786  142.222   1.8380  141.937   1.8305 0.2843628 2.594081 
1 1 1   15    2    7 o  221.628   1.7560  6598.70  104.529  6522.52  146.729  6677.20  148.949  220.309   2.4797  222.906   2.4879 -2.596542 3.512563 
1 1 1   15    2    8 o   93.731   1.0594  1179.99   26.671  1172.46   37.650  1187.57   37.787   93.425   1.5004   94.025   1.4962 -0.6000366 2.118939 
1 1 1   15    2    9 f  279.178   2.6718 10475.33  200.341 10425.60  282.474 10525.67  284.183  278.404   3.7776  279.736   3.7823 -1.332397 5.345641 
1 1 1   15    2   10 o   55.452   0.7803  412.973   11.622  430.736   17.670  399.430   15.429   56.629   1.1617   54.533   1.0534 2.095970 1.568167 
1 1 1   15    2   11 o   75.948   0.8403  774.694   17.142  771.260   24.187  778.159   24.298   75.776   1.1884   76.115   1.1885 -0.3381348 1.680737 
1 1 1   15    2   12 o  163.416   1.3951  3587.15   61.234  3641.90   91.574  3542.87   82.353  164.636   2.0709  162.389   1.8881 2.247101 2.802421 
1 1 1   15    2   13 o  110.056   1.2800  1626.95   37.836  1654.11   58.454  1607.37   49.637  110.956   1.9614  109.384   1.6895 1.572235 2.588738 
1 1 1   15    2   14 o   63.118   0.8323  535.059   14.111  516.343   21.156  550.058   18.938   62.000   1.2704   63.994   1.1018 -1.993755 1.681646 
1 1 1   15    2   15 o   54.556   0.6983  399.730   10.232  377.729   14.197  423.516   14.762   53.031   0.9967   56.154   0.9787 -3.122368 1.396896 
1 1 1   15    2   16 o  120.221   1.0434  1941.26   33.692  1962.85   47.926  1920.17   47.373  120.879   1.4761  119.557   1.4752 1.321419 2.086946 
1 1 1   15    2   17 o  192.861   1.6186  4997.01   83.844  5044.54  125.075  4958.22  112.990  193.733   2.4037  192.082   2.1901 1.651352 3.251795 
1 1 1   15    2   18 o  279.262   2.6755 10484.53  200.685 10380.69  325.609 10548.14  254.845  277.630   4.3665  280.018   3.3884 -2.388214 5.527038 
1 1 1   15    2   19 o   31.361   0.8828  132.100   7.4361  122.734   11.110  139.702   10.009   30.226   1.3684   32.250   1.1555 -2.023161 1.791030 
1 1 1   15    2   20 o   40.474   0.7453  220.021   8.1019  229.897   11.774  211.138   11.166   41.371   1.0595   39.647   1.0486 1.723724 1.490702 
1 1 1   15    2   21 o   72.359   0.7789  703.226   15.137  697.331   21.320  709.219   21.496   72.051   1.1017   72.662   1.1014 -0.6115417 1.557845 
1 1 1   15    2   22 o   84.821   0.8725  966.364   19.877  969.112   27.038  963.131   29.321   84.936   1.1852   84.671   1.2893 0.2647934 1.751277 
1 1 1   15    2   23 o  108.366   1.0718  1577.48   31.195  1599.88   44.450  1555.74   43.790  109.118   1.5166  107.602   1.5152 1.515656 2.143813 
1 1 1   15    2   24 o  240.556   1.9018  7778.54  122.875  7861.14  174.863  7697.96  172.701  241.717   2.6934  239.196   2.6881 2.521118 3.805307 
1 1 1   15    2   25 o  153.865   1.2782  3180.89   52.825  3157.20   74.345  3205.05   75.073  153.255   1.8061  154.412   1.8101 -1.156647 2.557073 
1 1 1   15    2   26 o   55.035   0.8106  406.853   11.983  404.759   16.693  409.079   17.211   54.888   1.1323   55.179   1.1613 -0.2914886 1.621948 
1 1 1   15    2   27 o   95.631   1.1941  1228.83   30.671  1207.81   35.789  1286.97   59.522   94.800   1.4055   97.799   2.2659 -2.999252 2.666471 
1 1 1   15    2   28 o   93.072   1.0302  1163.84   25.754  1170.62   31.572  1150.38   44.521   93.332   1.2595   92.489   1.7922 0.8427200 2.190457 
1 1 1   15    2   29 o   74.813   0.9122  751.953   18.329  771.391   22.892  717.233   30.595   75.766   1.1249   73.037   1.5596 2.728767 1.922972 
1 1 1   15    2   30 o  136.807   1.1661  2515.34   42.847  2530.21   60.747  2500.61   60.445  137.160   1.6489  136.355   1.6504 0.8049927 2.333005 
1 1 1   15    2   31 o  100.312   1.0165  1352.18   27.386  1373.09   38.989  1331.81   38.477  101.053   1.4365   99.522   1.4394 1.530655 2.033565 
1 1 1   15    2   32 o   51.426   0.7424  355.286   10.254  354.479   14.444  356.106   14.560   51.358   1.0471   51.476   1.0531 -0.1175003 1.485064 
1 1 1   15    2   33 f   46.153   0.7406  286.175   9.1811  287.930   12.991  284.424   12.977   46.286   1.0450   46.003   1.0502 0.2827835 1.481565 
1 1 1   15    2   34 o   74.609   0.8502  747.970   17.038  758.205   25.513  739.730   22.891   75.092   1.2650   74.180   1.1489 0.9125748 1.708821 
1 1 1   15    2   35 o   59.530   0.8007  476.182   12.803  467.111   18.867  483.924   17.431   58.941   1.1918   59.999   1.0816 -1.057709 1.609418 
1 1 1   15    2   36 f  113.737   1.0716  1739.15   32.736  1754.34   48.831  1726.75   44.119  114.158   1.5926  113.280   1.4500 0.8782806 2.153803 
1 1 1   15    2   37 o   60.368   0.7757  489.727   12.577  494.068   17.775  485.374   17.799   60.616   1.0917   60.079   1.1030 0.5364571 1.551940 
1 1 1   15    2   38 o   73.493   0.9027  726.092   17.820  721.899   25.005  730.419   25.402   73.245   1.2710   73.675   1.2837 -0.4295120 1.806452 
1 1 1   15    2   39 o   15.203   1.5182   31.447   6.1167   28.103   9.3177   33.978   8.1084   14.194   2.5371   15.745   1.9598 -1.550819 3.205880 
1 1 1   15    2   40 o   16.837   1.3261   38.408   5.9486   42.729   8.5308   34.319   8.2991   17.700   1.8203   15.814   1.9985 1.886129 2.703250 
1 1 1   15    2   41 o   31.246   0.8690  131.279   7.2929  129.152   10.087  133.609   10.557   30.973   1.2125   31.501   1.2477 -0.5276108 1.739797 
1 1 1   15    2   42 o   33.231   0.9119  148.526   8.1397  147.679   11.468  149.385   11.555   33.112   1.2895   33.303   1.2918 -0.1905212 1.825244 
1 1 1   15    2   43 o   39.742   0.8405  212.389   8.9717  208.170   12.602  216.726   12.776   39.318   1.1933   40.119   1.1857 -0.8005753 1.682161 
1 1 1   15    2   44 o   36.788   1.0157  182.128   10.036  178.877   13.457  186.204   15.066   36.426   1.3754   37.150   1.5098 -0.7240181 2.042419 
1 1 1   15    2   45 o   27.192   1.1548   99.586   8.4343  107.387   10.426   84.814   14.347   28.219   1.3756   24.912   2.1658 3.307634 2.565723 
1 1 1   15    2   46 o   15.948   1.5436   34.668   6.5294   35.747   9.0670   33.506   9.4104   16.088   2.1523   15.530   2.3278 0.5582190 3.170285 
1 1 1   15    2   47 o   39.487   0.8511  209.803   9.0272  211.126   11.828  207.959   13.971   39.585   1.1125   39.260   1.3249 0.3248138 1.730003 
1 1 1   15    2   48 o   3.5545   1.7639 -15.4120   6.4284 -15.2168   8.4142 -15.6856   9.9631   4.4470   2.1684   5.0277   2.4299 -0.5806499 3.256731 
1 1 1   15    2   49 o   19.351   1.3988   50.842   7.2210   48.698   10.115   53.070   10.312   18.820   2.0334   19.667   1.9789 -0.8474331 2.837410 
1 1 1   15    2   50 f   19.041   1.4112   49.255   7.1659   47.145   11.552   50.575   9.1362   18.428   2.3902   19.230   1.7894 -0.8018551 2.985783 
1 1 1   15    2   51 o   23.731   1.1983   76.162   7.6135   65.131   12.605   82.499   9.5529   21.755   2.1868   24.662   1.4485 -2.907438 2.623043 
1 1 1   15    2   52 o   36.689   0.9544  181.313   9.4050  174.231   13.217  188.577   13.386   35.909   1.3704   37.364   1.3339 -1.455124 1.912340 
1 1 1   15    2   53 o   52.353   0.8752  369.091   12.307  365.619   17.347  372.608   17.462   52.035   1.2412   52.531   1.2376 -0.4958000 1.752768 
1 1 1   15    2   54 o   24.961   1.4340   84.633   9.5737   91.280   14.034   78.848   13.093   25.779   2.0436   23.945   2.0558 1.834358 2.898709 
1 1 1   15    2   55 o   31.022   1.2855  130.244   10.711  142.607   14.888  116.980   15.421   32.319   1.7213   29.183   1.9791 3.135437 2.622919 
1 1 1   15    2   56 o   34.818   1.2983  164.329   12.142  151.156   15.557  184.854   19.420   33.224   1.7495   36.654   1.9799 -3.429657 2.642160 
1 1 1   15    2   57 o   20.223   1.7371   56.390   9.3438   39.647   13.367   72.390   13.067   16.431   3.1434   22.780   2.1615 -6.349127 3.814838 
1 1 1   15    2   58 o   22.222   1.6223   67.984   9.6160   59.189   13.669   76.603   13.531   20.359   2.5559   23.374   2.1804 -3.014658 3.359603 
1 1 1   15    2   59 o   25.330   1.5726   88.360   10.646   74.041   13.861  108.955   16.623   22.860   2.2883   27.793   2.2460 -4.932957 3.206379 
1 1 1   15    3  -58 o   12.991   5.1478   22.740   26.710   0.0000   0.0000   22.740   26.710  ?   ?    12.991   5.1478 0.000000 5.147779 
1 1 1   15    3  -57 o   19.460   4.0836   58.407   20.664   35.740   27.948   85.740   30.690   15.072   5.4177   22.916   5.1156 -7.844777 7.451254 
1 1 1   15    3  -56 o   28.697   1.6770  112.838   12.869   99.451   18.094  126.541   18.307   26.579   2.5665   30.149   2.2776 -3.569176 3.431410 
1 1 1   15    3  -55 o   16.912   2.6848   40.692   11.788   28.039   17.004   52.398   16.356   13.727   4.2107   18.986   3.3286 -5.259065 5.367466 
1 1 1   15    3  -54 o   12.717   2.0609   22.652   6.7986   26.726   9.3678   18.119   9.8821   13.686   2.6441   11.210   3.1509 2.475560 4.113358 
1 1 1   15    3  -53 o   31.244   0.9982  131.593   8.3765  128.857   11.720  134.451   11.977   30.859   1.4140   31.522   1.4146 -0.6624870 2.000121 
1 1 1   15    3  -52 o   33.814   0.9630  154.045   8.7466  163.527   12.550  145.089   12.197   34.787   1.3432   32.761   1.3861 2.026390 1.930106 
1 1 1   15    3  -51 o   29.549   1.0312  117.662   8.1846  125.838   11.824  110.142   11.340   30.508   1.4430   28.498   1.4867 2.009804 2.071848 
1 1 1   15    3  -50 o   35.487   0.9695  169.632   9.2409  166.533   14.305  171.851   12.106   35.086   1.5180   35.682   1.2631 -0.5958023 1.974800 
1 1 1   15    3  -49 o   23.120   1.1015   72.056   6.8402   76.308   9.7328   67.906   9.6152   23.701   1.5372   22.339   1.6134 1.361929 2.228416 
1 1 1   15    3  -48 o   56.398   0.9010  428.199   13.649  424.279   19.426  432.020   19.181   56.068   1.2900   56.583   1.2621 -0.5151787 1.804718 
1 1 1   15    3  -47 o   30.056   0.9259  121.614   7.4750  124.274   10.693  119.072   10.454   30.346   1.3119   29.705   1.3103 0.6417294 1.854127 
1 1 1   15    3  -46 o   32.095   0.9269  138.646   7.9900  135.193   11.983  141.410   10.721   31.647   1.4097   32.386   1.2325 -0.7389507 1.872539 
1 1 1   15    3  -45 o   70.833   0.9913  675.355   18.860  691.484   32.056  666.816   23.324   71.524   1.6687   70.340   1.2345 1.184296 2.075692 
1 1 1   15    3  -44 o   23.076   1.1029   71.699   6.8360   74.556   8.9341   67.665   10.617   23.468   1.4241   22.300   1.7877 1.168209 2.285565 
1 1 1   15    3  -43 o   46.188   0.8207  286.885   10.182  288.324   13.654  285.082   15.282   46.279   1.0985   46.004   1.2368 0.2756805 1.654151 
1 1 1   15    3  -42 o   15.962   1.3448   34.573   5.7119   35.372   8.7372   33.976   7.5482   16.034   2.0776   15.755   1.8171 0.2795877 2.760150 
1 1 1   15    3  -41 f   44.125   0.7561  261.739   8.9614  264.689   12.739  258.849   12.609   44.350   1.0694   43.858   1.0703 0.4920425 1.513034 
1 1 1   15    3  -40 o   19.361   1.2243   50.666   6.3341   61.852   11.354   45.611   7.6321   21.298   2.0086   18.326   1.5656 2.971447 2.546628 
1 1 1   15    3  -39 o   49.786   0.9170  333.287   12.262  329.166   15.433  340.344   20.195   49.458   1.1618   50.257   1.4961 -0.7992706 1.894182 
1 1 1   15    3  -38 o   59.316   0.8349  472.947   13.302  477.288   21.002  470.039   17.189   59.546   1.3131   59.114   1.0826 0.4319687 1.701846 
1 1 1   15    3  -37 o   58.257   0.8057  456.140   12.606  444.837   16.276  473.087   19.930   57.515   1.0536   59.298   1.2513 -1.782196 1.635835 
1 1 1   15    3  -36 o   50.571   0.7261  343.646   9.8627  334.267   13.776  353.509   14.127   49.863   1.0286   51.278   1.0257 -1.415241 1.452610 
1 1 1   15    3  -35 o   84.936   1.0836  969.870   24.721  1001.16   35.382  940.026   34.554   86.249   1.5273   83.573   1.5394 2.676186 2.168507 
1 1 1   15    3  -34 o  107.345   0.9726  1548.70   28.043  1547.80   39.615  1549.59   39.703  107.272   1.3749  107.334   1.3772 -0.6182098E-01 1.946055 
1 1 1   15    3  -33 o   30.301   0.7215  123.354   5.8717  118.782   8.1244  128.354   8.4958   29.729   1.0175   30.903   1.0236 -1.174561 1.443238 
1 1 1   15    3  -32 o   78.225   1.0698  822.435   22.477  868.930   36.466  793.944   28.545   80.358   1.6895   76.838   1.3831 3.520241 2.183491 
1 1 1   15    3  -31 o  118.419   1.2816  1885.24   40.762  1858.16   82.098  1894.10   46.959  117.369   2.6043  118.676   1.4732 -1.307014 2.992070 
1 1 1   15    3  -30 o   72.655   1.0062  709.333   19.635  710.034   27.820  708.637   27.718   72.668   1.4253   72.597   1.4215 0.7130432E-01 2.013024 
1 1 1   15    3  -29 o  158.395   1.6172  3374.12   68.802  3400.95   97.655  3347.68   96.950  158.911   2.2880  157.661   2.2894 1.249710 3.236706 
1 1 1   15    3  -28 f  118.046   1.2900  1872.90   40.901  1855.82   57.464  1890.44   58.230  117.459   1.8215  118.549   1.8288 -1.089668 2.581099 
1 1 1   15    3  -27 o   82.687   1.2038  918.762   26.734  933.646   46.618  911.468   32.634   83.302   2.0836   82.345   1.4755 0.9571991 2.553102 
1 1 1   15    3  -26 o  130.205   1.7526  2279.39   61.291  2285.77   79.493  2270.05   96.246  130.335   2.2708  129.826   2.7601 0.5092621 3.574175 
1 1 1   15    3  -25 o  117.468   1.2804  1854.12   40.398  1818.95   56.483  1890.95   57.804  116.317   1.8079  118.596   1.8146 -2.279320 2.561559 
1 1 1   15    3  -24 o  105.047   1.1857  1482.56   33.455  1491.43   47.402  1473.74   47.225  105.340   1.6754  104.713   1.6791 0.6267242 2.371980 
1 1 1   15    3  -23 f  117.896   1.2814  1867.44   40.576  1883.12   57.556  1851.94   57.213  118.365   1.8104  117.380   1.8147 0.9841614 2.563348 
1 1 1   15    3  -22 o  108.385   1.2057  1578.16   35.100  1575.98   49.584  1580.35   49.694  108.292   1.7047  108.442   1.7061 -0.1501007 2.411849 
1 1 1   15    3  -21 o  124.064   1.3283  2067.84   44.263  2107.68   63.242  2029.59   61.973  125.230   1.8802  122.888   1.8776 2.341759 2.657169 
1 1 1   15    3  -20 o   17.900   1.5429   43.368   7.3455   31.517   10.193   56.171   10.595   15.095   2.6085   20.350   1.9627 -5.254840 3.264427 
1 1 1   15    3  -19 o  188.528   1.8674  4776.22   94.560  4764.91  133.565  4787.59  133.893  188.245   2.6417  188.693   2.6419 -0.4473724 3.736015 
1 1 1   15    3  -18 o  214.952   2.0999  6209.62  121.236  6130.86  170.122  6290.90  172.818  213.507   2.9666  216.274   2.9750 -2.767776 4.201359 
1 1 1   15    3  -17 o  116.710   1.2593  1829.71   39.475  1745.92   54.391  1922.97   57.381  113.992   1.7765  119.632   1.7858 -5.639969 2.518921 
1 1 1   15    3  -16 o  129.159   1.3597  2240.92   47.169  2270.43   67.186  2212.24   66.238  129.988   1.9243  128.312   1.9220 1.676392 2.719754 
1 1 1   15    3  -15 o  125.467   1.8783  2115.10   63.296  1968.44   85.809  2290.15   93.745  121.010   2.6401  130.522   2.6741 -9.512726 3.757747 
1 1 1   15    3  -14 o  205.073   2.5430  5652.64  140.071  5624.66  180.258  5695.28  222.536  204.506   3.2817  205.711   4.0276 -1.205307 5.195312 
1 1 1   15    3  -13 o   50.281   1.0130  339.570   13.680  345.513   16.777  327.779   23.632   50.718   1.2316   49.394   1.7813 1.323921 2.165624 
1 1 1   15    3  -12 o  102.655   1.0747  1415.42   29.633  1434.21   39.876  1392.25   44.285  103.328   1.4368  101.802   1.6196 1.526360 2.165058 
1 1 1   15    3  -11 o  175.169   1.4821  4121.87   69.732  4206.93   95.502  4024.74  102.057  176.948   2.0094  173.066   2.1955 3.882278 2.976279 
1 1 1   15    3  -10 o   85.661   0.8189  985.513   18.842  974.958   26.488  996.326   26.809   85.198   1.1575   86.126   1.1589 -0.9285812 1.637958 
1 1 1   15    3   -9 o   74.978   0.7595  755.019   15.296  726.391   21.268  785.692   22.014   73.540   1.0767   76.483   1.0716 -2.942993 1.519108 
1 1 1   15    3   -8 o  285.723   2.3299 10970.42  178.800 10769.28  239.189 11225.16  269.184  283.018   3.1466  288.911   3.4689 -5.892731 4.683386 
1 1 1   15    3   -7 o  100.554   1.0464  1358.05   28.262  1367.37   34.855  1340.17   48.291  100.895   1.2862   99.878   1.8001 1.017532 2.212415 
1 1 1   15    3   -6 o  219.492   1.9050  6472.56  112.305  6436.97  144.516  6526.82  178.441  218.857   2.4585  220.342   3.0151 -1.484161 3.890384 
1 1 1   15    3   -5 o   23.321   0.8040   73.044   5.0361   67.861   7.7749   76.791   6.6102   22.440   1.2955   23.911   1.0293 -1.471411 1.654603 
1 1 1   15    3   -4 o  268.008   2.4241  9652.53  174.501  9888.56  265.770  9473.67  231.357  271.152   3.6492  265.444   3.2450 5.707916 4.883349 
1 1 1   15    3   -3 o   69.507   0.9665  648.873   18.043  642.657   27.335  653.671   24.018   69.168   1.4714   69.760   1.2818 -0.5922012 1.951421 
1 1 1   15    3   -2 o  162.441   1.5317  3544.58   66.829  3443.88  113.639  3597.82   82.626  160.076   2.6431  163.646   1.8798 -3.569885 3.243412 
1 1 1   15    3   -1 o  368.720   3.2963 18279.88  326.446 18065.17  560.971 18389.82  401.414  366.112   5.7047  369.716   4.0423 -3.603485 6.991733 
1 1 1   15    3    0 o  198.778   2.0794  5308.92  111.018  5301.19  169.408  5314.74  146.977  198.571   3.1763  198.852   2.7519 -0.2809143 4.202612 
1 1 1   15    3    1 o  180.148   1.6784  4359.70   81.212  4490.10  124.171  4262.23  107.356  182.787   2.5292  178.101   2.2442 4.685287 3.381341 
1 1 1   15    3    2 o  301.628   2.7131 12228.10  219.798 12332.00  331.549 12146.63  293.585  302.752   4.0773  300.525   3.6372 2.227844 5.463786 
1 1 1   15    3    3 o  252.700   2.1742  8580.28  147.570  8492.65  189.294  8716.04  235.623  251.363   2.8038  254.591   3.4458 -3.227783 4.442339 
1 1 1   15    3    4 o  295.605   2.5255 11743.40  200.517 11742.10  316.952 11744.28  258.917  295.430   3.9944  295.545   3.2617 -0.1151123 5.156901 
1 1 1   15    3    5 o  341.937   2.7705 15715.52  254.444 15656.04  343.627 15787.71  378.584  341.166   3.7500  342.543   4.1149 -1.376343 5.567269 
1 1 1   15    3    6 o   84.728   0.9409  964.192   21.412  964.309   28.784  964.047   32.039   84.730   1.2648   84.717   1.4080 0.1338196E-01 1.892676 
1 1 1   15    3    7 o  237.465   1.8726  7575.93  119.435  7607.13  169.345  7545.05  168.471  237.906   2.6502  236.933   2.6473 0.9724731 3.745903 
1 1 1   15    3    8 o  103.270   1.0679  1432.41   29.621  1447.42   39.999  1414.17   44.079  103.804   1.4346  102.602   1.5995 1.202118 2.148615 
1 1 1   15    3    9 o  297.649   2.4240 11906.07  193.787 12006.25  288.909 11824.14  261.282  298.775   3.6002  296.538   3.2805 2.236511 4.870615 
1 1 1   15    3   10 o   46.216   0.8179  286.861   10.152  271.157   16.091  297.246   13.085   44.930   1.3334   47.043   1.0356 -2.113811 1.688345 
1 1 1   15    3   11 o  198.421   1.7385  5289.25   92.651  5329.54  131.742  5249.83  130.326  199.138   2.4631  197.644   2.4550 1.494431 3.477633 
1 1 1   15    3   12 o  145.583   1.4007  2847.00   54.770  2787.58   81.172  2896.67   74.209  144.034   2.0982  146.833   1.8817 -2.799026 2.818371 
1 1 1   15    3   13 o   48.377   0.7867  314.324   10.222  308.170   14.840  319.879   14.100   47.899   1.1535   48.801   1.0757 -0.9020500 1.577272 
1 1 1   15    3   14 o  156.170   1.4865  3276.31   62.353  3243.95   92.897  3302.84   84.116  155.368   2.2261  156.783   1.9975 -1.414093 2.990931 
1 1 1   15    3   15 o  124.386   1.3114  2078.31   43.813  2058.84   61.484  2098.41   62.450  123.787   1.8492  124.971   1.8605 -1.183449 2.623203 
1 1 1   15    3   16 o  210.416   1.7512  5948.62   98.973  5932.84  146.481  5961.87  134.256  210.081   2.5960  210.611   2.3733 -0.5304871 3.517368 
1 1 1   15    3   17 o  218.368   1.8126  6407.09  106.312  6391.72  157.083  6420.07  144.410  218.040   2.6823  218.542   2.4602 -0.5024414 3.639669 
1 1 1   15    3   18 o  152.985   1.3854  3144.10   56.926  3154.13   80.617  3134.12   80.394  153.204   1.9591  152.717   1.9600 0.4866486 2.771215 
1 1 1   15    3   19 o  143.109   1.1997  2751.13   46.112  2723.36   64.762  2779.69   65.673  142.367   1.6936  143.831   1.7000 -1.464447 2.399640 
1 1 1   15    3   20 o  153.530   1.3274  3166.65   54.737  3112.35   73.431  3234.54   82.114  152.186   1.7964  155.135   1.9707 -2.948837 2.666606 
1 1 1   15    3   21 o  107.419   0.9683  1549.94   27.938  1562.83   39.615  1537.18   39.405  107.855   1.3675  106.966   1.3716 0.8890152 1.936830 
1 1 1   15    3   22 o  162.161   1.3341  3532.93   58.108  3522.37   81.992  3543.58   82.362  161.884   1.8857  162.371   1.8886 -0.4864960 2.668808 
1 1 1   15    3   23 f   29.746   0.8136  118.850   6.5006  124.192   9.1034  113.291   9.2859   30.405   1.1147   29.039   1.1905 1.365646 1.630953 
1 1 1   15    3   24 o  110.556   1.0346  1641.96   30.722  1622.68   41.272  1665.91   46.007  109.891   1.3983  111.338   1.5385 -1.447487 2.078977 
1 1 1   15    3   25 o   30.194   0.8939  122.469   7.2492  134.070   10.115  110.220   10.394   31.589   1.1922   28.640   1.3513 2.949120 1.802019 
1 1 1   15    3   26 o  121.514   1.2275  1984.09   40.064  2012.08   54.073  1950.01   59.654  122.340   1.6456  120.423   1.8443 1.917656 2.471733 
1 1 1   15    3   27 o   63.633   0.8796  543.957   15.033  539.261   18.135  554.274   26.881   63.352   1.0658   64.210   1.5586 -0.8580055 1.888169 
1 1 1   15    3   28 f   45.515   0.8669  278.314   10.598  306.395   15.647  254.509   14.406   47.748   1.2201   43.517   1.2325 4.230648 1.734259 
1 1 1   15    3   29 o   60.152   0.8227  486.094   13.292  467.104   18.553  506.120   19.052   58.954   1.1717   61.368   1.1559 -2.413361 1.645866 
1 1 1   15    3   30 o   92.108   0.9268  1139.94   22.928  1152.78   31.173  1124.81   33.842   92.606   1.2533   91.467   1.3775 1.139175 1.862338 
1 1 1   15    3   31 o   40.991   0.7924  225.747   8.7241  218.131   12.194  233.733   12.487   40.285   1.1270   41.702   1.1148 -1.416210 1.585184 
1 1 1   15    3   32 o   98.064   0.9260  1292.25   24.391  1284.68   34.343  1299.95   34.647   97.748   1.3081   98.326   1.3119 -0.5787048 1.852635 
1 1 1   15    3   33 o  170.778   1.4039  3922.59   64.395  3930.94   91.095  3914.26   91.042  170.832   1.9853  170.468   1.9884 0.3636169 2.809864 
1 1 1   15    3   34 o  114.464   1.0274  1761.10   31.586  1774.85   44.811  1747.52   44.528  114.860   1.4525  113.972   1.4546 0.8881302 2.055664 
1 1 1   15    3   35 o   38.465   0.9251  198.857   9.5576  176.907   12.370  231.367   15.055   36.268   1.2699   41.472   1.3515 -5.204243 1.854531 
1 1 1   15    3   36 o   48.545   0.7628  316.673   9.9464  310.586   14.023  322.836   14.110   48.061   1.0863   49.000   1.0721 -0.9393959 1.526266 
1 1 1   15    3   37 o   90.053   0.9843  1090.32   23.808  1085.67   38.024  1093.32   30.533   89.780   1.5769   90.143   1.2611 -0.3634949 2.019118 
1 1 1   15    3   38 o   46.313   0.8889  288.361   11.057  310.061   16.458  270.510   14.928   47.997   1.2766   44.834   1.2396 3.162849 1.779451 
1 1 1   15    3   39 o   37.714   0.8181  191.205   8.2867  190.518   11.711  191.894   11.728   37.627   1.1588   37.763   1.1563 -0.1357765 1.636967 
1 1 1   15    3   40 o   56.436   0.7901  428.173   11.977  431.957   16.930  424.383   16.945   56.656   1.1125   56.156   1.1235 0.5000839 1.581101 
1 1 1   15    3   41 f   19.818   1.2342   53.093   6.5372   60.264   9.1391   45.579   9.3547   21.072   1.6274   18.262   1.9368 2.810530 2.529699 
1 1 1   15    3   42 o   55.416   0.8511  412.968   12.667  409.709   16.747  417.326   19.365   55.168   1.1302   55.658   1.2954 -0.4895897 1.719156 
1 1 1   15    3   43 o   27.048   1.1279   98.502   8.1943   96.345   10.267  102.285   13.600   26.691   1.4375   27.442   1.8560 -0.7509308 2.347588 
1 1 1   15    3   44 o   37.208   0.8770  186.229   8.7641  192.370   12.469  180.232   12.321   37.786   1.2286   36.572   1.2543 1.213993 1.755758 
1 1 1   15    3   45 o   16.080   1.3815   35.134   5.9089   37.567   7.7845   31.826   9.0762   16.571   1.7767   15.135   2.3056 1.436767 2.910748 
1 1 1   15    3   46 o   32.292   0.9559  140.373   8.2908  137.881   10.091  145.547   14.543   31.985   1.1746   32.764   1.6580 -0.7786026 2.031911 
1 1 1   15    3   47 o   20.973   1.3786   59.640   7.7225   65.443   10.676   53.272   11.184   21.897   1.8321   19.676   2.1513 2.220860 2.825690 
1 1 1   15    3   48 o   6.3224   2.5865   2.0454   6.9810   16.938   10.739  -8.8527   9.1868   10.998   3.3409   5.4136   2.5329 5.584240 4.192556 
1 1 1   15    3   49 o   22.027   1.2703   65.699   7.4832   67.155   10.581   64.242   10.584   22.181   1.7914   21.683   1.8346 0.4981041 2.564187 
1 1 1   15    3   50 o   48.816   0.9622  320.966   12.616  315.810   19.050  324.994   16.837   48.328   1.4676   49.066   1.2776 -0.7381516 1.945760 
1 1 1   15    3   51 o   17.749   1.5412   42.944   7.2741   49.153   10.751   37.701   9.8788   18.872   2.1599   16.465   2.2964 2.407236 3.152533 
1 1 1   15    3   52 o   25.286   1.0984   86.222   7.4601   82.434   11.141   89.301   10.045   24.597   1.6967   25.652   1.4640 -1.054358 2.240950 
1 1 1   15    3   53 o   21.175   1.3806   60.905   7.8091   73.029   11.271   49.711   10.830   23.103   1.8313   18.955   2.1660 4.148043 2.836472 
1 1 1   15    3   54 o   15.977   2.0875   35.483   8.7438   31.099   11.715   40.996   13.138   14.669   3.0720   16.919   3.0008 -2.250730 4.294427 
1 1 1   15    3   55 o   4.0721   2.0060 -16.2727   7.7886  -9.6862   11.187 -22.4685   10.850   6.0251   2.8111   4.7983   2.3645 1.226758 3.673308 
1 1 1   15    3   56 o   22.227   1.5830   67.675   9.3884   59.314   13.349   75.859   13.207   20.508   2.4733   23.360   2.1282 -2.851778 3.262887 
1 1 1   15    3   57 o   27.433   1.4708  102.896   10.798  104.011   14.221  101.379   16.594   27.402   1.9448   26.879   2.3213 0.5229359 3.028346 
1 1 1   15    3   58 o   29.347   1.4078  117.545   11.097  109.099   14.725  128.645   16.881   27.996   1.9709   30.349   2.0835 -2.353529 2.867935 
1 1 1   15    3   59 o   17.083   2.3491   41.882   10.494   29.429   17.139   49.348   13.272   13.519   4.2408   18.346   2.7805 -4.826872 5.071044 
1 1 1   15    4  -57 o   11.276   4.3072   16.271   18.166   13.100   24.080   20.460   27.675   11.572   4.7769   12.876   5.1932 -1.304453 7.056078 
1 1 1   15    4  -56 o   9.5160   3.7660   8.9369   14.278   15.470   31.046   7.1843   16.080   12.866   5.3766   9.5809   3.9233 3.284763 6.655809 
1 1 1   15    4  -55 o   9.8978   3.4311   13.070   11.132   6.0520   15.722   20.125   15.763   9.4028   3.8682   11.951   4.0857 -2.547860 5.626356 
1 1 1   15    4  -54 o   14.403   2.4235   29.356   9.0423   29.303   16.734   29.378   10.746   14.033   4.1496   14.270   2.9027 -0.2363663 5.064070 
1 1 1   15    4  -53 o   11.466   2.2052   18.584   6.5445   26.328   9.2386   10.782   9.2722   13.596   2.6249   9.1195   3.1331 4.476883 4.087344 
1 1 1   15    4  -52 o   28.483   1.1020  109.439   8.4304   97.216   10.912  127.537   13.278   26.749   1.5251   30.628   1.6198 -3.879265 2.224824 
1 1 1   15    4  -51 o   24.313   1.0902   79.705   7.1190   78.907   10.114   80.489   10.022   24.089   1.5718   24.336   1.5413 -0.2469597 2.201354 
1 1 1   15    4  -50 o   27.511   1.0274  101.995   7.5919  103.550   10.840  100.498   10.636   27.633   1.4658   27.223   1.4599 0.4103909 2.068806 
1 1 1   15    4  -49 o   12.924   1.8930   23.152   6.3763   28.267   9.6279   19.156   8.5100   14.137   2.6324   11.575   2.7735 2.561736 3.823873 
1 1 1   15    4  -48 o   43.477   0.8275  254.392   9.6631  261.296   13.475  247.082   13.865   44.020   1.1397   42.796   1.2062 1.224491 1.659450 
1 1 1   15    4  -47 o   39.614   0.9951  211.371   10.588  197.160   16.240  221.878   13.964   38.173   1.5839   40.547   1.2822 -2.374218 2.037861 
1 1 1   15    4  -46 o   18.593   1.3556   46.906   6.7233   37.128   10.833   53.031   8.5742   16.294   2.5598   19.733   1.6324 -3.438717 3.035986 
1 1 1   15    4  -45 o   13.873   1.6449   26.379   6.0098   23.312   8.6026   29.303   8.3992   12.847   2.5826   14.521   2.2245 -1.673080 3.408492 
1 1 1   15    4  -44 o   36.030   0.8561  174.629   8.2849  176.341   11.111  172.485   12.434   36.182   1.1433   35.769   1.2942 0.4128609 1.726861 
1 1 1   15    4  -43 f   3.5217   1.7015  -7.8046   4.8756  -4.9944   6.5122 -11.3890   7.3548   4.7713   2.1977   4.3576   2.1015 0.4137034 3.040807 
1 1 1   15    4  -42 o   19.159   1.2172   49.639   6.2311   35.736   9.6269   59.664   8.1744   16.072   2.2953   20.983   1.4595 -4.911415 2.720011 
1 1 1   15    4  -41 o   49.185   0.8831  325.356   11.666  304.848   20.085  335.797   14.331   47.534   1.5731   49.951   1.0682 -2.416729 1.901519 
1 1 1   15    4  -40 o   38.242   0.8448  196.646   8.6775  202.559   11.549  188.979   13.150   38.795   1.1083   37.456   1.3071 1.338886 1.713759 
1 1 1   15    4  -39 o   39.754   0.8535  212.492   9.1132  203.952   12.203  223.263   13.704   38.927   1.1671   40.721   1.2529 -1.794376 1.712293 
1 1 1   15    4  -38 o   33.300   0.8085  149.061   7.2313  145.416   9.4471  154.218   11.238   32.878   1.0698   33.849   1.2361 -0.9708595 1.634723 
1 1 1   15    4  -37 o   66.822   0.8077  600.168   14.496  598.125   21.336  601.920   19.757   66.674   1.1914   66.895   1.0996 -0.2204742 1.621276 
1 1 1   15    4  -36 o   94.020   0.9831  1188.48   24.825  1187.84   32.129  1189.42   39.106   93.959   1.2731   93.979   1.5492 -0.1988983E-01 2.005242 
1 1 1   15    4  -35 o   48.619   0.7251  317.623   9.4686  328.700   13.630  307.293   13.163   49.446   1.0263   47.809   1.0251 1.637207 1.450550 
1 1 1   15    4  -34 o   28.468   1.1722  108.973   8.9626  115.005   12.586  102.767   12.766   29.185   1.6118   27.571   1.7327 1.613729 2.366510 
1 1 1   15    4  -33 o   15.343   1.2543   31.867   5.1239   27.734   10.292   33.229   5.9082   14.078   2.8202   15.653   1.4208 -1.574945 3.157878 
1 1 1   15    4  -32 o   32.138   0.8804  138.789   7.5996  136.023   12.951  140.242   9.3852   31.798   1.5164   32.301   1.0818 -0.5031815 1.862730 
1 1 1   15    4  -31 o   26.200   1.4012   92.577   9.8249   94.291   11.944   88.990   17.277   26.417   1.6923   25.558   2.5509 0.8589821 3.061195 
1 1 1   15    4  -30 o   37.493   1.1687  188.950   11.770  198.787   20.273  183.949   14.455   38.374   1.9736   36.984   1.4552 1.390049 2.452032 
1 1 1   15    4  -29 o   72.595   0.9994  708.169   19.486  705.653   27.496  710.709   27.619   72.444   1.4131   72.703   1.4144 -0.2589798 1.999329 
1 1 1   15    4  -28 o   81.597   1.0458  894.694   22.919  924.566   32.713  865.893   32.121   82.924   1.4687   80.249   1.4902 2.675682 2.092370 
1 1 1   15    4  -27 o  112.125   1.2425  1689.64   37.418  1672.49   52.648  1707.14   53.191  111.512   1.7578  112.661   1.7578 -1.149223 2.485915 
1 1 1   15    4  -26 o   49.576   1.1973  330.278   15.942  316.391   24.295  340.781   21.127   48.501   1.8650   50.347   1.5623 -1.846088 2.432904 
1 1 1   15    4  -25 o   18.018   2.0469   44.229   9.7301   49.190   13.040   37.997   14.616   18.933   2.6358   16.482   3.4138 2.450537 4.312950 
1 1 1   15    4  -24 o  121.643   1.3123  1988.33   42.876  1932.11   59.606  2048.61   61.721  119.876   1.8513  123.436   1.8616 -3.560425 2.625439 
1 1 1   15    4  -23 o  112.669   1.2421  1705.58   37.589  1716.03   53.207  1695.16   53.110  112.987   1.7533  112.298   1.7608 0.6896591 2.484840 
1 1 1   15    4  -22 o  137.132   1.4336  2526.86   52.802  2560.64   75.169  2493.95   74.189  138.007   2.0279  136.198   2.0280 1.808960 2.867970 
1 1 1   15    4  -21 o   96.088   1.1190  1240.33   28.881  1242.85   40.846  1237.81   40.841   96.171   1.5813   95.976   1.5843 0.1956177 2.238415 
1 1 1   15    4  -20 o   17.534   1.5539   41.633   7.2422   32.259   10.352   50.621   10.136   15.273   2.6176   19.305   1.9830 -4.032075 3.283918 
1 1 1   15    4  -19 o   76.013   1.0570  776.145   21.580  797.400   28.998  749.759   32.308   77.041   1.4014   74.699   1.6103 2.341667 2.134696 
1 1 1   15    4  -18 o  195.739   1.9308  5148.99  101.510  5280.31  145.727  5025.21  141.482  198.148   2.7382  193.304   2.7250 4.844391 3.863050 
1 1 1   15    4  -17 o  173.910   1.7377  4063.89   81.167  4028.29  114.148  4100.29  115.438  173.101   2.4551  174.641   2.4610 -1.539810 3.476251 
1 1 1   15    4  -16 o  112.621   1.2293  1703.77   37.184  1726.51   52.924  1681.60   52.254  113.356   1.7383  111.872   1.7390 1.483910 2.458817 
1 1 1   15    4  -15 o  197.510   1.9435  5241.98  103.103  5190.08  144.857  5295.26  146.782  196.473   2.7450  198.453   2.7537 -1.980011 3.888211 
1 1 1   15    4  -14 o  209.321   2.1867  5888.32  122.941  5737.37  184.749  6008.29  164.702  206.524   3.3306  211.386   2.9009 -4.861511 4.416774 
1 1 1   15    4  -13 o  312.162   3.4403 13108.24  288.446 13137.96  353.672 13049.21  498.480  312.385   4.2152  310.939   5.9687 1.446533 7.307081 
1 1 1   15    4  -12 o   46.793   0.9839  294.086   12.366  295.583   18.301  292.828   16.775   46.908   1.4526   46.690   1.3376 0.2180710 1.974672 
1 1 1   15    4  -11 o  116.028   1.1656  1808.27   36.324  1757.83   48.176  1874.72   55.295  114.390   1.5680  118.127   1.7428 -3.737556 2.344356 
1 1 1   15    4  -10 o  150.630   1.3009  3047.76   52.633  3003.03   77.440  3086.17   71.754  149.501   1.9285  151.563   1.7626 -2.061325 2.612686 
1 1 1   15    4   -9 o  130.773   1.1077  2297.02   38.909  2277.97   60.113  2310.76   51.044  130.215   1.7187  131.156   1.4490 -0.9409637 2.248028 
1 1 1   15    4   -8 o  338.473   2.6269 15398.51  238.812 15278.64  368.115 15485.62  313.810  336.954   4.0674  339.326   3.4432 -2.372253 5.329111 
1 1 1   15    4   -7 o   85.254   0.8196  976.175   18.768  959.216   28.912  988.526   24.673   84.505   1.2738   85.789   1.0708 -1.283852 1.664072 
1 1 1   15    4   -6 o  251.211   2.1623  8479.76  145.899  8555.52  207.537  8405.74  205.147  252.260   3.0631  250.043   3.0546 2.217056 4.325868 
1 1 1   15    4   -5 o  232.337   2.2481  7253.72  140.287  7408.94  179.832  7012.40  224.226  234.767   2.8519  228.327   3.6562 6.439926 4.636981 
1 1 1   15    4   -4 o   77.203   0.8531  800.522   17.690  788.375   24.835  813.033   25.205   76.612   1.2069   77.801   1.2062 -1.188896 1.706273 
1 1 1   15    4   -3 o  106.704   0.9483  1529.21   27.179  1531.06   42.178  1527.90   35.542  106.760   1.4709  106.654   1.2407 0.1062469 1.924298 
1 1 1   15    4   -2 o   93.203   0.8662  1166.71   21.685  1137.35   33.286  1188.36   28.582   92.017   1.3468   94.061   1.1313 -2.043701 1.758910 
1 1 1   15    4   -1 o   44.220   0.7680  262.616   9.1213  263.048   14.003  262.298   12.022   44.254   1.1781   44.192   1.0128 0.6221390E-01 1.553594 
1 1 1   15    4    0 o  114.791   1.0961  1769.85   33.796  1766.56   47.842  1773.11   47.748  114.676   1.5533  114.888   1.5473 -0.2125168 2.192462 
1 1 1   15    4    1 o  211.570   2.0617  6014.31  117.157  6137.30  167.844  5897.45  163.608  213.669   2.9246  209.453   2.9082 4.215561 4.124464 
1 1 1   15    4    2 o  224.197   2.0496  6753.58  123.420  6647.91  211.755  6807.94  151.886  222.327   3.5461  225.070   2.5125 -2.742294 4.345964 
1 1 1   15    4    3 o  176.802   1.5671  4199.16   74.419  4322.68  119.745  4121.43   94.991  179.345   2.4859  175.142   2.0193 4.203033 3.202674 
1 1 1   15    4    4 o  221.664   1.8349  6601.20  109.244  6657.06  181.935  6569.71  136.613  222.522   3.0440  221.109   2.3003 1.412949 3.815464 
1 1 1   15    4    5 o  420.305   3.3897 23756.56  382.668 23632.76  632.175 23828.15  480.750  418.710   5.6212  420.773   4.2538 -2.063416 7.049350 
1 1 1   15    4    6 o   39.505   0.8593  209.603   9.1177  215.834   14.064  205.087   11.975   40.085   1.3063   39.075   1.1410 1.009758 1.734429 
1 1 1   15    4    7 o   88.937   1.0290  1062.39   24.581  1042.13   40.064  1074.63   31.128   88.075   1.6936   89.445   1.2957 -1.369255 2.132383 
1 1 1   15    4    8 o   38.543   0.7089  199.516   7.3383  194.520   11.978  202.518   9.2850   38.055   1.1718   38.831   0.8902 -0.7757988 1.471634 
1 1 1   15    4    9 o  149.558   1.2944  3004.52   51.996  3003.89   86.035  3004.88   65.262  149.516   2.1424  149.558   1.6247 -0.4292297E-01 2.688744 
1 1 1   15    4   10 o  131.598   1.1666  2326.12   41.235  2321.94   61.031  2329.64   55.933  131.465   1.7284  131.687   1.5814 -0.2219238 2.342673 
1 1 1   15    4   11 o  271.127   2.3265  9879.10  169.419  9846.22  239.047  9912.28  240.145  270.580   3.2892  271.486   3.2933 -0.9057007 4.654580 
1 1 1   15    4   12 o  129.424   1.2701  2250.02   44.152  2241.64   59.130  2260.57   66.376  129.171   1.7043  129.709   1.9052 -0.5378876 2.556277 
1 1 1   15    4   13 o   94.622   0.8847  1202.53   22.485  1215.39   31.917  1189.85   31.682   95.122   1.2493   94.117   1.2533 1.004852 1.769565 
1 1 1   15    4   14 o  151.812   1.3141  3095.90   53.581  3089.85   72.403  3103.21   79.666  151.648   1.7776  151.968   1.9518 -0.3202209 2.639929 
1 1 1   15    4   15 o   94.032   0.9669  1187.61   24.421  1186.90   34.405  1188.35   34.670   93.997   1.3628   94.054   1.3724 -0.5715942E-01 1.934069 
1 1 1   15    4   16 o   99.831   0.9599  1338.61   25.739  1329.22   37.991  1346.58   34.993   99.471   1.4220  100.121   1.3013 -0.6500549 1.927517 
1 1 1   15    4   17 o   84.685   0.9532  963.259   21.682  958.365   28.994  969.468   32.657   84.464   1.2781   84.949   1.4313 -0.4847336 1.918863 
1 1 1   15    4   18 o   35.589   0.7512  170.112   7.1811  180.537   10.032  159.158   10.284   36.661   1.0188   34.422   1.1123 2.239635 1.508370 
1 1 1   15    4   19 o  141.578   1.1906  2692.65   45.276  2705.24   64.102  2680.12   63.958  141.888   1.6820  141.228   1.6861 0.6603241 2.381648 
1 1 1   15    4   20 o  158.926   1.3111  3393.27   55.965  3427.07   79.547  3360.14   78.753  159.685   1.8547  158.118   1.8544 1.567169 2.622691 
1 1 1   15    4   21 o   99.632   0.9631  1333.40   25.773  1340.44   34.904  1324.95   38.219   99.886   1.3010   99.302   1.4329 0.5834198 1.935458 
1 1 1   15    4   22 o  103.233   0.9881  1431.58   27.399  1431.73   36.984  1431.40   40.791  103.227   1.3339  103.210   1.4715 0.1730347E-01 1.986076 
1 1 1   15    4   23 o   49.063   0.7898  323.334   10.408  320.456   14.525  326.371   14.922   48.840   1.1072   49.288   1.1272 -0.4483528 1.580013 
1 1 1   15    4   24 o   58.399   0.9781  458.154   15.342  436.313   19.865  490.436   24.150   56.983   1.2979   60.408   1.4885 -3.425518 1.974863 
1 1 1   15    4   25 o  136.244   1.2681  2494.41   46.404  2486.92   65.416  2502.00   65.836  135.998   1.7908  136.409   1.7969 -0.4109650 2.536943 
1 1 1   15    4   26 o   47.746   0.8876  306.254   11.383  315.509   18.284  300.397   14.545   48.449   1.4050   47.282   1.1453 1.167725 1.812702 
1 1 1   15    4   27 o   78.456   0.8142  826.910   17.156  811.054   24.009  843.455   24.525   77.688   1.1506   79.224   1.1525 -1.536469 1.628577 
1 1 1   15    4   28 o   47.494   0.7693  303.032   9.8132  312.681   13.108  290.728   14.801   48.239   1.0117   46.510   1.1849 1.728996 1.558018 
1 1 1   15    4   29 o   78.279   0.8611  823.276   18.104  823.547   24.283  822.938   27.165   78.278   1.1550   78.241   1.2926 0.3686523E-01 1.733474 
1 1 1   15    4   30 o   33.594   0.9272  151.648   8.3659  150.034   10.410  154.591   14.056   33.410   1.1601   33.902   1.5437 -0.4921150 1.931031 
1 1 1   15    4   31 o   68.590   0.8116  632.093   14.951  639.781   20.349  623.075   22.041   68.992   1.0981   68.080   1.2054 0.9126816 1.630568 
1 1 1   15    4   32 o   47.015   0.7500  296.981   9.4710  292.336   13.257  301.822   13.535   46.636   1.0584   47.387   1.0634 -0.7504196 1.500351 
1 1 1   15    4   33 o   55.797   0.7524  418.307   11.276  420.525   15.852  416.035   16.043   55.933   1.0552   55.632   1.0737 0.3002853 1.505393 
1 1 1   15    4   34 o   30.701   0.8369  126.660   6.9014  125.429   9.7075  127.917   9.8136   30.541   1.1834   30.843   1.1846 -0.3013573 1.674437 
1 1 1   15    4   35 o   40.161   0.8282  216.756   8.9334  220.742   13.496  213.648   11.918   40.511   1.2404   39.861   1.1132 0.6501770 1.666635 
1 1 1   15    4   36 o   68.653   0.9262  633.606   17.079  640.419   29.762  630.260   20.855   68.952   1.6070   68.455   1.1343 0.4976349 1.966992 
1 1 1   15    4   37 o   36.937   0.9011  183.418   8.9398  174.553   12.534  192.598   12.755   36.012   1.2958   37.831   1.2553 -1.818226 1.804096 
1 1 1   15    4   38 o   32.108   0.8960  138.613   7.7270  145.990   11.439  132.422   10.479   32.930   1.2934   31.366   1.2439 1.564554 1.794433 
1 1 1   15    4   39 o   42.613   0.8325  244.135   9.5286  251.646   14.130  237.870   12.904   43.235   1.2167   42.041   1.1428 1.194050 1.669270 
1 1 1   15    4   40 o   22.804   1.1296   69.993   6.9186   67.976   9.0371   72.850   10.754   22.403   1.5107   23.164   1.7412 -0.7616615 2.305237 
1 1 1   15    4   41 o   73.514   1.0329  727.225   20.395  726.484   29.346  727.917   28.366   73.398   1.4886   73.481   1.4372 -0.8264160E-01 2.069175 
1 1 1   15    4   42 o   43.196   0.8466  250.937   9.8226  257.165   13.266  243.378   14.614   43.705   1.1301   42.502   1.2802 1.202919 1.707650 
1 1 1   15    4   43 f   77.290   0.8567  803.499   17.785  805.593   24.979  801.346   25.329   77.332   1.2026   77.124   1.2227 0.2080917 1.715026 
1 1 1   15    4   44 o   39.278   0.8560  207.533   9.0301  207.473   12.648  207.595   12.896   39.240   1.2001   39.249   1.2233 -0.9033203E-02 1.713684 
1 1 1   15    4   45 o   9.4221   2.2654   12.554   5.6625   18.065   7.3518   4.5156   8.8785   11.296   2.4902   7.5388   2.9741 3.757015 3.878941 
1 1 1   15    4   46 o   22.305   1.2269   67.295   7.3218   68.771   9.3460   64.948   11.781   22.501   1.5560   21.774   2.0381 0.7269344 2.564134 
1 1 1   15    4   47 o   19.828   1.3765   53.350   7.2855   51.214   9.2739   56.792   11.775   19.353   1.8049   20.306   2.1937 -0.9530354 2.840831 
1 1 1   15    4   48 o   25.003   1.1432   84.300   7.6776   64.158   10.738  105.366   10.981   21.662   1.8637   27.878   1.4718 -6.215549 2.374804 
1 1 1   15    4   49 o   32.799   1.2218  145.171   10.764  155.256   20.287  141.219   12.699   33.654   2.2575   32.316   1.4630 1.337429 2.690101 
1 1 1   15    4   50 o   16.081   1.6611   35.403   7.0712   34.354   9.8344   36.527   10.174   15.674   2.4135   16.172   2.4166 -0.4974718 3.415337 
1 1 1   15    4   51 o   38.437   0.9579  199.026   9.8890  187.614   13.583  211.895   14.425   37.261   1.3573   39.599   1.3562 -2.337959 1.918733 
1 1 1   15    4   52 o   6.6855   2.6171   3.7964   6.8277   1.1842   9.4360   6.6670   9.8918   6.9986   2.9468   8.2582   3.1727 -1.259684 4.330068 
1 1 1   15    4   53 o   26.153   1.3709   92.811   9.5961  101.810   15.810   87.561   12.075   27.186   2.1836   25.308   1.7879 1.878040 2.822144 
1 1 1   15    4   54 o   6.1694   2.6411   0.0554   7.7968   1.4711   11.119  -1.3139   10.936   7.5437   3.1888   7.0367   3.0699 0.5070581 4.426355 
1 1 1   15    4   55 o   35.222   1.1861  167.937   11.221  166.166   15.660  169.806   16.087   34.901   1.6705   35.272   1.6981 -0.3711090 2.382085 
1 1 1   15    4   56 o   25.684   1.4507   90.099   9.9665   88.823   14.265   91.315   13.931   25.262   2.1221   25.650   2.0388 -0.3884773 2.942790 
1 1 1   15    4   57 o   13.803   2.4609   27.470   8.7887   18.958   12.698   35.297   12.176   11.320   3.6617   15.445   3.0433 -4.124967 4.761264 
1 1 1   15    4   58 o   15.374   2.2893   33.840   9.1649   27.643   13.013   39.939   12.910   13.364   3.5610   16.372   3.0482 -3.007452 4.687397 
1 1 1   15    5  -57 o   10.875   4.2851   14.076   18.412  -8.2280   25.053   40.270   27.150   9.4959   4.3504   15.447   5.3582 -5.950937 6.901895 
1 1 1   15    5  -56 o   18.865   4.0692   55.109   20.013   52.700   27.503   57.820   29.175   17.711   5.3389   18.446   5.4851 -0.7346706 7.654417 
1 1 1   15    5  -55 o   17.670   2.8665   45.029   13.138   46.307   19.031   43.866   18.160   17.352   4.1409   16.922   4.0495 0.4302731 5.791890 
1 1 1   15    5  -54 o   19.725   1.8511   53.649   9.6925   57.280   15.356   51.244   12.496   20.011   2.9452   19.072   2.4996 0.9383221 3.862900 
1 1 1   15    5  -53 o   35.942   0.9705  174.228   9.3686  175.024   12.503  173.208   14.147   35.965   1.2943   35.737   1.4739 0.2270699 1.961528 
1 1 1   15    5  -52 o   42.884   0.8821  247.737   10.160  246.737   13.869  248.895   14.925   42.740   1.2082   42.908   1.2951 -0.1680717 1.771114 
1 1 1   15    5  -51 o   16.395   1.6206   36.781   7.0427   34.290   9.1566   40.389   11.020   15.690   2.2360   16.987   2.4892 -1.296686 3.346035 
1 1 1   15    5  -50 o   30.676   0.9377  126.753   7.7263  124.834   10.707  128.838   11.160   30.400   1.3114   30.879   1.3455 -0.4789677 1.878860 
1 1 1   15    5  -49 o   8.2266   2.6613   9.0629   6.7075   12.420   9.8437   6.1531   9.1644   9.6783   3.2290   7.9669   3.0554 1.711405 4.445470 
1 1 1   15    5  -48 o   33.494   0.9558  151.109   8.5990  148.783   13.216  152.817   11.324   33.166   1.4836   33.647   1.2530 -0.4809647 1.941913 
1 1 1   15    5  -47 o   26.294   0.9568   93.116   6.7574   94.926   9.4658   91.234   9.6498   26.479   1.3352   25.949   1.3896 0.5300484 1.927121 
1 1 1   15    5  -46 o   35.870   0.9713  173.278   9.3579  169.866   12.232  178.093   14.532   35.478   1.2836   36.296   1.4906 -0.8182259 1.967100 
1 1 1   15    5  -45 o   54.881   0.8421  405.267   12.413  381.359   17.551  429.196   17.559   53.179   1.2287   56.429   1.1585 -3.249729 1.688779 
1 1 1   15    5  -44 o   54.574   0.7783  400.575   11.408  395.598   15.907  405.846   16.369   54.194   1.0928   54.889   1.1103 -0.6948471 1.557913 
1 1 1   15    5  -43 o   32.789   0.9099  144.658   8.0132  145.092   11.812  144.287   10.907   32.802   1.3406   32.721   1.2411 0.8164215E-01 1.826896 
1 1 1   15    5  -42 f   52.067   0.7955  364.564   11.125  363.613   14.932  365.750   16.679   51.971   1.0697   52.109   1.1917 -0.1373177 1.601359 
1 1 1   15    5  -41 o   57.726   0.8129  448.098   12.604  450.757   16.713  444.590   19.193   57.869   1.0752   57.449   1.2439 0.4194946 1.644180 
1 1 1   15    5  -40 o   27.383   0.9606  100.874   7.0650   96.328   9.3067  107.057   10.853   26.740   1.2958   28.143   1.4407 -1.403009 1.937698 
1 1 1   15    5  -39 f   62.240   0.8232  520.865   13.761  527.972   21.065  515.573   18.176   62.614   1.2526   61.895   1.0933 0.7192383 1.662625 
1 1 1   15    5  -38 o   21.405   0.8817   61.608   5.0690   57.755   6.7920   66.453   7.6156   20.676   1.2286   22.178   1.2840 -1.501858 1.777044 
1 1 1   15    5  -37 o   18.323   0.9714   45.277   4.7637   41.024   6.0105   52.462   7.8119   17.409   1.2947   19.677   1.4891 -2.268410 1.973277 
1 1 1   15    5  -36 o   61.700   0.7817  511.663   12.954  518.447   19.001  505.771   17.706   62.080   1.1395   61.322   1.0750 0.7578545 1.566610 
1 1 1   15    5  -35 o   99.625   1.0906  1334.73   29.182  1305.21   43.935  1358.03   39.037   98.428   1.6619  100.438   1.4471 -2.010338 2.203607 
1 1 1   15    5  -34 o   55.794   0.8591  418.382   12.875  433.392   22.895  411.440   15.570   56.742   1.5022   55.319   1.0479 1.422916 1.831612 
1 1 1   15    5  -33 o   37.611   1.0111  190.150   10.214  176.840   14.239  204.258   14.660   36.252   1.4624   38.964   1.4008 -2.712288 2.025043 
1 1 1   15    5  -32 o   29.655   0.8764  118.180   6.9807  104.512   12.515  124.352   8.4105   27.813   1.6833   30.416   1.0295 -2.602987 1.973128 
1 1 1   15    5  -31 o  124.835   1.4400  2096.17   48.282  2094.00   63.860  2099.05   73.768  124.695   1.9067  124.788   2.2009 -0.9228516E-01 2.911970 
1 1 1   15    5  -30 o  104.028   1.3781  1455.31   38.507  1416.94   46.458  1539.54   68.827  102.613   1.6856  106.849   2.3983 -4.236282 2.931388 
1 1 1   15    5  -29 o  105.465   1.3844  1495.67   39.215  1519.41   68.654  1484.17   47.776  106.161   2.4077  105.025   1.6936 1.135918 2.943720 
1 1 1   15    5  -28 o   72.339   1.0603  703.255   20.602  686.669   27.247  725.398   31.481   71.462   1.4196   73.437   1.5960 -1.975639 2.135985 
1 1 1   15    5  -27 o   91.556   1.1008  1126.50   27.070  1141.40   38.417  1111.80   38.150   92.129   1.5525   90.925   1.5621 1.203178 2.202385 
1 1 1   15    5  -26 o  124.137   1.3341  2071.37   44.481  2053.18   62.551  2089.98   63.265  123.536   1.8852  124.637   1.8898 -1.101532 2.669335 
1 1 1   15    5  -25 o  130.125   1.5961  2276.57   55.783  2137.68   93.194  2354.11   69.636  125.950   2.7549  132.284   1.9599 -6.333755 3.380891 
1 1 1   15    5  -24 o   24.658   1.6901   82.134   11.126   94.529   15.906   70.260   15.568   26.407   2.2644   22.695   2.6010 3.712227 3.448568 
1 1 1   15    5  -23 o  143.851   1.5958  2781.51   61.655  2716.22   80.268  2875.46   96.290  142.105   2.1030  146.170   2.4526 -4.064880 3.230788 
1 1 1   15    5  -22 o   68.295   0.9678  626.571   17.753  631.005   25.227  622.220   24.988   68.526   1.3706   68.047   1.3672 0.4786148 1.935901 
1 1 1   15    5  -21 o   60.585   0.9478  493.072   15.423  500.452   21.930  485.849   21.694   61.029   1.3378   60.132   1.3432 0.8971252 1.895812 
1 1 1   15    5  -20 o  147.427   1.5168  2920.64   60.062  2936.35   85.114  2905.05   84.767  147.779   2.1444  146.989   2.1471 0.7899933 3.034501 
1 1 1   15    5  -19 o  195.245   1.9284  5123.96  101.127  5172.10  143.802  5076.85  142.242  196.073   2.7306  194.260   2.7262 1.813141 3.858514 
1 1 1   15    5  -18 o   75.727   0.9949  770.303   20.236  774.174   28.711  766.482   28.525   75.909   1.4082   75.531   1.4061 0.3780060 1.989973 
1 1 1   15    5  -17 o   34.433   1.0029  159.259   9.2756  155.842   12.983  162.822   13.257   34.058   1.4192   34.813   1.4178 -0.7544327 2.006071 
1 1 1   15    5  -16 o  194.976   1.9226  5108.89  100.686  5049.64  141.308  5169.99  143.500  193.775   2.7150  196.069   2.7249 -2.294571 3.846631 
1 1 1   15    5  -15 o   49.398   0.8197  327.744   10.876  325.578   14.132  330.891   17.033   49.233   1.0687   49.631   1.2778 -0.3979225 1.665775 
1 1 1   15    5  -14 o  328.374   2.7986 14499.91  246.830 14751.05  353.001 14259.65  345.269  330.987   3.9708  325.431   3.9501 5.555267 5.600890 
1 1 1   15    5  -13 o  114.292   1.3047  1754.73   40.051  1846.28   76.948  1720.71   46.905  117.196   2.4445  113.172   1.5431 4.023567 2.890792 
1 1 1   15    5  -12 o  168.786   1.5037  3827.24   68.168  3887.13  125.465  3802.15   81.199  170.034   2.7472  168.220   1.7971 1.813873 3.282835 
1 1 1   15    5  -11 o  119.683   1.0361  1923.96   33.305  1969.59   52.339  1892.91   43.174  121.081   1.6094  118.707   1.3541 2.373703 2.103256 
1 1 1   15    5  -10 o   74.450   0.9261  744.473   18.520  755.759   30.732  738.038   23.207   75.005   1.5255   74.125   1.1656 0.8795090 1.919840 
1 1 1   15    5   -9 o   94.501   0.9578  1199.46   24.310  1205.53   34.735  1193.64   34.035   94.733   1.3651   94.265   1.3443 0.4679718 1.915868 
1 1 1   15    5   -8 o  138.869   1.3435  2590.47   50.111  2561.50   66.956  2627.37   75.555  138.077   1.8054  139.834   2.0117 -1.756577 2.703036 
1 1 1   15    5   -7 o  153.118   1.3194  3149.30   54.261  3139.34   80.402  3157.63   73.532  152.855   1.9584  153.306   1.7858 -0.4512177 2.650319 
1 1 1   15    5   -6 o  212.888   1.9566  6089.47  111.879  6139.17  150.855  6028.71  166.781  213.712   2.6281  211.758   2.9324 1.954453 3.937700 
1 1 1   15    5   -5 o   72.113   1.1541  698.501   22.355  685.479   35.358  707.173   28.853   71.429   1.8430   72.556   1.4806 -1.127083 2.364039 
1 1 1   15    5   -4 o  264.526   2.2711  9403.34  161.361  9482.37  209.458  9287.97  253.081  265.577   2.9364  262.770   3.5858 2.806915 4.634722 
1 1 1   15    5   -3 o  118.572   1.0262  1888.36   32.683  1871.10   45.987  1905.99   46.458  118.021   1.4507  119.116   1.4521 -1.095306 2.052591 
1 1 1   15    5   -2 o  120.254   1.2729  1942.45   41.114  1856.17   56.758  2037.70   59.637  117.541   1.7978  123.155   1.8029 -5.613434 2.546101 
1 1 1   15    5   -1 o  233.181   2.0172  7305.84  126.339  7439.62  202.117  7220.05  161.857  235.216   3.1992  231.769   2.6001 3.446808 4.122537 
1 1 1   15    5    0 o  178.766   1.6685  4293.19   80.111  4222.99  119.077  4351.24  108.279  177.260   2.5011  179.945   2.2403 -2.685333 3.357750 
1 1 1   15    5    1 o  146.786   1.3343  2894.19   52.605  2963.81   75.504  2828.51   73.333  148.524   1.8927  145.095   1.8817 3.429230 2.668922 
1 1 1   15    5    2 o  197.756   1.5820  5253.60   84.029  5360.83  120.393  5151.75  117.336  199.732   2.2442  195.799   2.2311 3.932922 3.164557 
1 1 1   15    5    3 o   87.616   1.2984  1031.15   30.554  1065.89   48.864  1008.85   39.153   89.066   2.0426   86.657   1.6822 2.408752 2.646116 
1 1 1   15    5    4 o  329.321   2.5580 14576.75  226.265 14694.50  321.699 14461.48  318.300  330.511   3.6239  327.881   3.6143 2.629608 5.118195 
1 1 1   15    5    5 o  199.988   1.6691  5373.13   89.654  5349.75  121.183  5401.39  133.254  199.523   2.2613  200.471   2.4748 -0.9477081 3.352310 
1 1 1   15    5    6 o   91.476   0.8583  1123.88   21.087  1121.22   29.786  1126.54   29.857   91.364   1.2138   91.580   1.2138 -0.2164841 1.716593 
1 1 1   15    5    7 o   55.439   0.7918  412.796   11.791  389.532   17.346  432.780   16.076   53.852   1.1992   56.764   1.0544 -2.912025 1.596851 
1 1 1   15    5    8 o  153.163   1.3203  3151.16   54.314  3161.69   80.654  3142.42   73.470  153.397   1.9576  152.935   1.7886 0.4616241 2.651628 
1 1 1   15    5    9 o  146.751   1.2218  2892.77   48.157  2846.45   73.743  2927.21   63.588  145.551   1.8863  147.611   1.6039 -2.060318 2.475992 
1 1 1   15    5   10 o  126.594   1.1869  2152.66   40.357  2173.72   57.306  2131.93   56.845  127.199   1.6773  125.970   1.6801 1.228973 2.374061 
1 1 1   15    5   11 o  121.200   1.1488  1973.10   37.397  1981.46   52.947  1964.77   52.829  121.445   1.6232  120.932   1.6264 0.5127106 2.297839 
1 1 1   15    5   12 o   82.056   0.9354  904.355   20.616  915.348   31.098  895.736   27.537   82.546   1.4026   81.660   1.2555 0.8866959 1.882469 
1 1 1   15    5   13 o  313.995   2.6793 13255.65  225.967 13422.52  359.904 13147.07  290.321  315.695   4.2445  312.589   3.4579 3.106659 5.474755 
1 1 1   15    5   14 o   75.628   0.9485  768.224   19.267  746.954   30.581  782.224   24.811   74.564   1.5270   76.310   1.2105 -1.745636 1.948578 
1 1 1   15    5   15 o  156.861   1.3556  3305.46   57.113  3348.87   85.144  3269.96   77.006  157.857   2.0082  155.995   1.8379 1.861725 2.722253 
1 1 1   15    5   16 o   70.815   0.9351  673.574   17.787  668.189   22.404  682.756   29.253   70.528   1.1827   71.286   1.5278 -0.7583313 1.932102 
1 1 1   15    5   17 o   65.705   0.7860  579.838   13.872  591.000   18.758  566.369   20.607   66.331   1.0529   64.932   1.1816 1.398804 1.582613 
1 1 1   15    5   18 o  165.465   1.4171  3678.44   62.980  3664.44   85.005  3695.47   93.773  165.119   1.9167  165.803   2.1057 -0.6836700 2.847381 
1 1 1   15    5   19 o  174.162   1.5544  4075.84   72.714  4117.24   94.359  4015.31  114.095  175.010   2.0074  172.789   2.4584 2.221283 3.173873 
1 1 1   15    5   20 o  100.114   0.9685  1346.35   26.044  1349.96   35.217  1342.00   38.690  100.238   1.3081   99.937   1.4414 0.3008423 1.946438 
1 1 1   15    5   21 o  146.212   1.2784  2872.31   50.205  2876.52   67.943  2867.25   74.511  146.291   1.7292  146.042   1.8996 0.2489624 2.568728 
1 1 1   15    5   22 o  195.710   1.5739  5147.89   82.734  5136.53  116.776  5159.33  117.233  195.417   2.2248  195.850   2.2286 -0.4327850 3.149069 
1 1 1   15    5   23 o   66.102   0.7574  586.922   13.446  593.568   19.033  580.299   18.999   66.469   1.0661   65.721   1.0763 0.7473602 1.514928 
1 1 1   15    5   24 o  126.699   1.0948  2156.83   37.255  2161.90   52.652  2151.75   52.722  126.817   1.5458  126.519   1.5515 0.2984695 2.190092 
1 1 1   15    5   25 o   84.952   1.0286  969.661   23.469  963.779   29.694  979.450   38.309   84.682   1.3055   85.347   1.6712 -0.6647644 2.120682 
1 1 1   15    5   26 o   40.070   0.7354  215.685   7.9152  217.199   11.080  214.107   11.311   40.205   1.0261   39.917   1.0550 0.2878265 1.471668 
1 1 1   15    5   27 o   96.127   0.9078  1241.53   23.437  1250.82   33.185  1232.28   33.106   96.464   1.2808   95.746   1.2873 0.7180634 1.815950 
1 1 1   15    5   28 o  119.886   1.0553  1931.50   33.980  1937.47   48.017  1925.51   48.094  120.030   1.4894  119.658   1.4964 0.3720627 2.111304 
1 1 1   15    5   29 o   62.670   0.9116  527.748   15.345  532.119   21.519  523.227   21.888   62.913   1.2735   62.383   1.3063 0.5296097 1.824346 
1 1 1   15    5   30 o   51.300   0.7825  353.576   10.782  343.013   14.197  367.967   16.572   50.519   1.0463   52.319   1.1793 -1.799778 1.576557 
1 1 1   15    5   31 o   35.799   0.8467  172.207   8.1412  182.579   10.319  155.104   13.250   36.856   1.0424   33.957   1.4528 2.899483 1.788056 
1 1 1   15    5   32 o   89.355   0.9164  1073.02   21.993  1080.77   29.898  1063.88   32.466   89.651   1.2416   88.936   1.3591 0.7145920 1.840883 
1 1 1   15    5   33 o   89.091   0.9246  1066.78   22.124  1079.46   32.917  1056.34   29.879   89.577   1.3681   88.625   1.2552 0.9522705 1.856706 
1 1 1   15    5   34 o   25.994   0.9486   90.826   6.6226   92.274   9.4458   89.427   9.2878   26.153   1.3493   25.746   1.3478 0.4074879 1.907121 
1 1 1   15    5   35 o  106.660   0.9839  1529.51   28.187  1524.18   39.712  1534.92   40.014  106.415   1.3894  106.788   1.3951 -0.3732910 1.968903 
1 1 1   15    5   36 o   52.944   0.8455  376.791   12.024  375.410   16.755  378.258   17.264   52.823   1.1809   53.021   1.2123 -0.1973648 1.692422 
1 1 1   15    5   37 o   32.186   0.9060  139.289   7.8322  140.579   11.553  138.192   10.654   32.312   1.3312   32.042   1.2380 0.2697983 1.817863 
1 1 1   15    5   38 o   60.363   0.8758  489.937   14.199  471.672   19.710  509.645   20.473   59.190   1.2398   61.526   1.2389 -2.336613 1.752695 
1 1 1   15    5   39 f   51.535   0.9544  357.237   13.211  361.240   16.825  350.803   21.334   51.797   1.2094   51.000   1.5574 0.7969322 1.971819 
1 1 1   15    5   40 o   58.139   1.0217  454.822   15.955  457.146   20.687  451.409   25.066   58.248   1.3223   57.835   1.6136 0.4129562 2.086195 
1 1 1   15    5   41 o   53.449   0.7960  384.139   11.428  386.781   16.032  381.410   16.294   53.600   1.1136   53.224   1.1398 0.3765526 1.593484 
1 1 1   15    5   42 f   40.425   0.8227  219.774   8.9325  226.484   12.454  212.666   12.818   41.011   1.1307   39.733   1.2011 1.277626 1.649569 
1 1 1   15    5   43 o   22.245   1.1050   66.640   6.6023   67.946   9.1702   65.235   9.5133   22.381   1.5347   21.914   1.6279 0.4669685 2.237262 
1 1 1   15    5   44 o   24.606   1.0158   81.516   6.7134   86.120   8.7063   74.762   10.544   25.239   1.2886   23.453   1.6851 1.786165 2.121329 
1 1 1   15    5   45 o   30.725   0.9125  127.070   7.5302  128.849   9.7465  124.435   11.861   30.917   1.1737   30.352   1.4549 0.5646839 1.869315 
1 1 1   15    5   46 o   37.515   0.8461  189.406   8.5251  199.072   11.445  177.357   12.778   38.431   1.1087   36.248   1.3124 2.182945 1.718087 
1 1 1   15    5   47 o   21.114   1.3602   60.461   7.6728   67.669   11.819   55.212   10.087   22.221   2.0018   20.077   1.8929 2.143700 2.755098 
1 1 1   15    5   48 o   18.664   1.5872   47.495   7.8807   51.544   10.050   41.030   12.699   19.375   1.9581   17.035   2.8779 2.340343 3.480882 
1 1 1   15    5   49 o   15.082   1.8839   31.368   7.4650   32.501   9.6500   29.679   11.780   15.228   2.4419   14.371   3.1396 0.8569059 3.977466 
1 1 1   15    5   50 o   33.819   1.1246  154.258   10.215  152.051   14.405  156.490   14.489   33.503   1.6008   33.991   1.5869 -0.4880295 2.254068 
1 1 1   15    5   51 o   10.546   2.7320   15.903   7.8011   14.152   11.604   17.347   10.537   10.342   3.5057   11.062   3.2980 -0.7196541 4.813171 
1 1 1   15    5   52 o   28.772   1.1917  111.800   9.2093  109.041   13.597  114.138   12.518   28.259   1.8008   28.960   1.6158 -0.7013206 2.419403 
1 1 1   15    5   53 o   9.1467   2.9501   11.459   8.2469   15.060   12.055   8.2913   11.307   10.557   3.5731   8.9044   3.3989 1.652565 4.931471 
1 1 1   15    5   54 o   41.422   1.1157  231.958   12.413  238.603   21.857  228.795   15.080   41.729   1.9502   41.071   1.3670 0.6578903 2.381579 
1 1 1   15    5   55 o   22.024   1.6072   66.532   9.4415   68.204   13.722   65.029   13.011   22.044   2.3540   21.547   2.2830 0.4969673 3.279236 
1 1 1   15    5   56 o   19.331   1.9461   52.046   9.9667   56.026   15.497   49.238   13.015   19.588   3.0445   18.499   2.6990 1.088528 4.068588 
1 1 1   15    5   57 o   8.2336   3.1109   7.8741   9.4111   8.2454   12.738   7.4278   13.965   8.9799   3.5561   9.0750   3.6788 -0.9512520E-01 5.116552 
1 1 1   15    5   58 o   32.172   2.5541  148.624   21.889  116.100   29.412  189.000   32.771   27.013   4.1895   35.344   3.4980 -8.331181 5.457815 
1 1 1   15    6  -57 o   13.312   5.1579   26.890   26.313   0.0000   0.0000   26.890   26.313  ?   ?    13.312   5.1579 0.000000 5.157929 
1 1 1   15    6  -56 o   8.4951   3.8054  -3.5442   17.912 -21.2100   23.810   19.490   27.188   8.3232   3.9498   12.644   5.1304 -4.320686 6.474734 
1 1 1   15    6  -55 o   16.199   2.5212   37.550   10.613   29.510   16.454   43.278   13.888   13.834   4.1204   17.155   3.1294 -3.320437 5.174041 
1 1 1   15    6  -54 o   9.7034   3.5336   11.798   11.941   19.924   16.074   1.7890   17.838   11.905   4.1231   9.2478   3.9778 2.656674 5.729134 
1 1 1   15    6  -53 o   18.571   2.4023   48.391   11.702   57.144   16.707   39.962   16.395   19.887   3.2393   16.363   3.8028 3.524437 4.995442 
1 1 1   15    6  -52 o   43.910   0.8821  259.814   10.403  256.163   13.678  264.823   16.021   43.544   1.1695   44.231   1.3486 -0.6865921 1.785075 
1 1 1   15    6  -51 o   28.481   1.2009  109.544   9.1866  113.408   12.286  104.645   13.835   28.876   1.5903   27.666   1.8728 1.209782 2.456922 
1 1 1   15    6  -50 o   13.849   1.8661   26.529   6.7649   27.148   10.311   26.062   8.9635   13.774   2.8798   13.565   2.5538 0.2089634 3.849072 
1 1 1   15    6  -49 o   43.324   0.8720  252.729   10.147  256.122   15.138  249.960   13.675   43.547   1.2942   43.040   1.1829 0.5069389 1.753397 
1 1 1   15    6  -48 o   55.333   0.9096  412.329   13.519  400.809   20.825  420.721   17.773   54.445   1.4241   55.839   1.1851 -1.394520 1.852666 
1 1 1   15    6  -47 o   23.614   1.0821   75.175   6.8632   69.746   9.1072   82.311   10.441   22.656   1.5052   24.605   1.5884 -1.949060 2.188283 
1 1 1   15    6  -46 o   13.855   1.5647   26.302   5.7208   25.939   7.4096   26.839   9.0019   13.654   2.0867   13.795   2.5226 -0.1406336 3.273777 
1 1 1   15    6  -45 o   70.706   0.9699  673.259   18.419  669.945   27.818  675.846   24.577   70.404   1.4711   70.765   1.2931 -0.3607178 1.958609 
1 1 1   15    6  -44 o   7.6750   2.4288   7.9250   5.6103   10.351   8.9579   6.3595   7.1965   9.0086   3.0800   7.5181   2.7424 1.490494 4.123927 
1 1 1   15    6  -43 o   24.814   0.9054   82.857   6.0343   87.898   8.2352   77.011   8.8676   25.538   1.2006   23.850   1.3903 1.688210 1.836958 
1 1 1   15    6  -42 o   32.669   0.9152  143.605   8.0307  136.443   9.4147  162.734   15.387   31.831   1.1012   34.703   1.6509 -2.871998 1.984436 
1 1 1   15    6  -41 o   6.2418   2.1899   4.6683   4.5411   4.4102   5.3002   5.3807   8.8061   6.3884   2.3500   7.7292   2.9870 -1.340797 3.800567 
1 1 1   15    6  -40 o   23.013   0.8944   71.237   5.5283   67.548   7.3665   75.992   8.3646   22.360   1.2313   23.710   1.3187 -1.350498 1.804202 
1 1 1   15    6  -39 o   49.597   0.7941  330.739   10.578  329.706   15.992  331.542   14.104   49.481   1.2033   49.634   1.0580 -0.1530876 1.602282 
1 1 1   15    6  -38 o   21.231   0.9161   60.622   5.2241   56.597   7.0194   65.620   7.8214   20.459   1.2839   22.031   1.3280 -1.571703 1.847165 
1 1 1   15    6  -37 o   50.826   0.8419  347.327   11.493  339.992   19.030  351.539   14.420   50.234   1.4104   51.117   1.0503 -0.8829041 1.758548 
1 1 1   15    6  -36 o   64.566   0.9469  560.585   16.421  540.552   24.208  577.658   22.349   63.349   1.4227   65.507   1.2702 -2.158054 1.907242 
1 1 1   15    6  -35 o   49.436   0.8838  328.544   11.735  315.848   22.160  333.493   13.834   48.403   1.7045   49.797   1.0343 -1.393822 1.993785 
1 1 1   15    6  -34 o   62.606   0.8914  526.865   14.990  522.010   23.315  530.285   19.570   62.275   1.3939   62.789   1.1604 -0.5134277 1.813705 
1 1 1   15    6  -33 o   47.299   0.8421  300.664   10.698  286.462   18.872  307.388   12.986   46.130   1.5231   47.817   1.0111 -1.687325 1.828196 
1 1 1   15    6  -32 o   16.387   1.7502   36.574   7.5843   41.110   10.407   31.437   11.075   17.304   2.2959   14.999   2.8535 2.305570 3.662441 
1 1 1   15    6  -31 o   86.325   1.0818  1001.78   25.083  999.353   35.346  1004.25   35.602   86.178   1.5270   86.388   1.5344 -0.2100906 2.164748 
1 1 1   15    6  -30 o   68.665   1.1216  633.820   20.685  634.482   28.829  633.118   29.698   68.669   1.5631   68.591   1.6120 0.7804871E-01 2.245370 
1 1 1   15    6  -29 o  108.749   1.4153  1590.56   41.339  1609.57   50.734  1553.01   71.309  109.358   1.7273  107.296   2.4744 2.062065 3.017649 
1 1 1   15    6  -28 o  101.719   1.3545  1391.28   37.005  1412.59   64.359  1380.76   45.229  102.367   2.3408  101.302   1.6623 1.065475 2.870970 
1 1 1   15    6  -27 o   21.925   1.5283   64.964   8.9437   50.489   15.009   72.934   11.137   19.104   3.0259   23.211   1.8005 -4.106943 3.521057 
1 1 1   15    6  -26 o  115.740   1.2708  1800.67   39.504  1788.02   55.549  1813.62   56.191  115.279   1.7941  116.100   1.8019 -0.8213806 2.542772 
1 1 1   15    6  -25 o  142.466   1.4812  2728.89   56.680  2714.51   79.806  2743.51   80.512  142.008   2.0923  142.764   2.0997 -0.7554321 2.964202 
1 1 1   15    6  -24 o   20.778   1.4384   58.311   7.9780   49.209   11.448   66.905   11.124   18.982   2.2919   22.222   1.8814 -3.240759 2.965185 
1 1 1   15    6  -23 o   72.720   1.3897  710.776   27.143  695.346   38.327  726.301   38.446   71.896   1.9848   73.481   1.9480 -1.585159 2.780977 
1 1 1   15    6  -22 o  200.273   2.2799  5397.13  122.641  5354.06  149.478  5485.83  214.520  199.374   2.7914  201.510   3.9635 -2.135941 4.847806 
1 1 1   15    6  -21 o   67.371   0.9599  609.739   17.370  592.333   24.267  628.028   24.875   66.392   1.3608   68.363   1.3547 -1.971359 1.920184 
1 1 1   15    6  -20 o   89.538   1.1562  1077.10   27.805  1047.52   42.048  1100.08   37.065   88.275   1.7734   90.474   1.5253 -2.198914 2.339133 
1 1 1   15    6  -19 o  168.938   1.6995  3835.91   77.116  3879.32  109.774  3793.61  108.358  169.822   2.4066  167.936   2.4023 1.885864 3.400428 
1 1 1   15    6  -18 o   81.294   0.9010  887.700   19.674  887.117   27.788  888.286   27.858   81.258   1.2732   81.312   1.2756 -0.5345917E-01 1.802258 
1 1 1   15    6  -17 o  149.050   1.3608  2984.83   54.478  2997.36   77.181  2972.38   76.907  149.330   1.9243  148.706   1.9255 0.6237335 2.722222 
1 1 1   15    6  -16 o  251.459   2.1707  8500.60  146.607  8637.19  209.415  8369.31  205.312  253.339   3.0776  249.381   3.0652 3.957367 4.343637 
1 1 1   15    6  -15 o  118.504   1.0780  1886.39   34.310  1869.22   50.677  1900.92   46.621  117.946   1.5997  118.947   1.4593 -1.001091 2.165275 
1 1 1   15    6  -14 f   22.501   0.8458   68.005   5.1116   76.169   7.6145   61.307   6.8965   23.812   1.1906   21.329   1.2088 2.483374 1.696659 
1 1 1   15    6  -13 o   32.175   0.7371  139.043   6.3700  131.565   9.4279  145.324   8.6406   31.296   1.1216   32.893   0.9780 -1.596766 1.488117 
1 1 1   15    6  -12 o  172.573   1.6192  4001.35   75.051  4149.94  132.782  3931.60   90.977  175.667   2.8142  171.043   1.9803 4.624329 3.441141 
1 1 1   15    6  -11 o   77.084   1.0297  798.123   21.319  828.092   32.807  776.218   28.049   78.509   1.5558   76.014   1.3738 2.495377 2.075548 
1 1 1   15    6  -10 o  242.879   1.9145  7926.75  124.891  8032.96  178.255  7824.35  175.034  244.428   2.7152  241.235   2.7014 3.193146 3.830117 
1 1 1   15    6   -9 o  183.708   1.4811  4533.80   73.080  4607.19  104.302  4463.03  102.424  185.157   2.0973  182.237   2.0925 2.919525 2.962662 
1 1 1   15    6   -8 f  143.210   1.2488  2754.92   48.035  2736.96   64.740  2776.92   71.648  142.728   1.6888  143.760   1.8556 -1.031860 2.508991 
1 1 1   15    6   -7 o   87.906   1.1046  1037.95   26.081  1045.60   28.159  991.800   69.172   88.228   1.1883   85.881   2.9988 2.347328 3.225642 
1 1 1   15    6   -6 o   81.415   0.8793  890.260   19.229  896.633   24.974  880.980   30.134   81.703   1.1381   80.983   1.3854 0.7199554 1.792890 
1 1 1   15    6   -5 o  253.951   2.1866  8666.70  149.148  8771.15  194.037  8515.87  233.170  255.418   2.8284  251.604   3.4503 3.813766 4.461466 
1 1 1   15    6   -4 o  206.837   2.0191  5748.67  112.172  5720.80  129.200  5833.96  226.056  206.316   2.3315  208.188   4.0427 -1.871964 4.666818 
1 1 1   15    6   -3 o  231.735   2.2438  7216.86  139.658  7216.82  197.581  7216.90  197.432  231.654   3.1755  231.655   3.1731 -0.1525879E-02 4.489145 
1 1 1   15    6   -2 o   40.217   0.8692  217.235   9.3894  230.911   12.632  200.348   14.036   41.462   1.1343   38.619   1.3532 2.842796 1.765683 
1 1 1   15    6   -1 o  118.586   1.1280  1888.88   35.929  1937.26   57.764  1858.35   45.886  120.079   1.7910  117.617   1.4525 2.462219 2.305966 
1 1 1   15    6    0 o  126.817   1.0835  2160.15   36.905  2161.64   52.245  2158.68   52.138  126.850   1.5334  126.763   1.5313 0.8688354E-01 2.167105 
1 1 1   15    6    1 o  168.287   1.3707  3804.31   61.955  3817.64   87.851  3791.13   87.387  168.560   1.9404  167.974   1.9369 0.5861664 2.741716 
1 1 1   15    6    2 o  174.689   1.4792  4099.46   69.402  4189.95  104.285  4027.51   92.983  176.575   2.1989  173.128   1.9996 3.446655 2.972109 
1 1 1   15    6    3 o  352.258   2.7311 16681.40  258.399 16674.92  365.355 16687.89  365.507  352.008   3.8643  352.145   3.8644 -0.1368713 5.465015 
1 1 1   15    6    4 o  138.177   1.5191  2564.93   56.377  2697.08   88.477  2474.60   73.150  141.661   2.3254  135.706   2.0069 5.955353 3.071616 
1 1 1   15    6    5 o  112.767   0.9914  1707.99   30.028  1747.66   43.023  1670.32   41.929  114.061   1.4044  111.509   1.3999 2.552162 1.982937 
1 1 1   15    6    6 o  146.377   1.2172  2878.06   47.857  2898.94   67.980  2857.54   67.383  146.891   1.7230  145.839   1.7202 1.052444 2.434754 
1 1 1   15    6    7 o  113.264   0.9956  1723.08   30.288  1709.90   42.663  1736.47   43.007  112.821   1.4079  113.695   1.4083 -0.8731766 1.991380 
1 1 1   15    6    8 f  106.959   1.0467  1536.64   30.069  1505.14   42.210  1569.09   42.844  105.849   1.4847  108.074   1.4760 -2.225334 2.093528 
1 1 1   15    6    9 o  179.534   1.5902  4330.36   76.680  4383.78   99.815  4253.43  119.778  180.614   2.0576  177.880   2.5070 2.733673 3.243246 
1 1 1   15    6   10 o  120.289   1.0882  1943.55   35.157  1944.42   47.603  1942.51   52.147  120.307   1.4732  120.243   1.6146 0.6346130E-01 2.185701 
1 1 1   15    6   11 o   98.495   0.9478  1303.05   25.074  1294.72   33.782  1313.26   37.417   98.174   1.2811   98.872   1.4090 -0.6973495 1.904343 
1 1 1   15    6   12 o  115.400   1.0590  1788.80   32.824  1762.77   44.003  1821.45   49.284  114.548   1.4302  116.435   1.5759 -1.886665 2.128141 
1 1 1   15    6   13 o  215.480   2.0997  6240.58  121.520  6327.06  155.094  6103.09  195.570  216.914   2.6620  212.951   3.4192 3.963394 4.333319 
1 1 1   15    6   14 f  117.588   1.3465  1857.56   42.526  1792.25   54.933  1955.26   67.182  115.488   1.7709  120.612   2.0738 -5.124031 2.727070 
1 1 1   15    6   15 o  245.334   2.5334  8093.81  166.934  8070.18  254.044  8111.77  221.458  244.761   3.8643  245.483   3.3587 -0.7221832 5.119992 
1 1 1   15    6   16 o   66.480   0.8011  593.610   14.305  606.330   21.019  582.636   19.524   67.183   1.1648   65.858   1.1038 1.324745 1.604719 
1 1 1   15    6   17 o  105.590   1.0053  1497.67   28.510  1511.23   42.227  1486.31   38.648  106.053   1.4824  105.178   1.3681 0.8742828 2.017232 
1 1 1   15    6   18 o   74.681   0.8258  749.141   16.564  738.493   24.307  758.373   22.632   74.141   1.2206   75.135   1.1215 -0.9935379 1.657605 
1 1 1   15    6   19 o   51.292   0.8016  353.380   11.043  351.818   15.406  355.031   15.838   51.174   1.1208   51.407   1.1470 -0.2327194 1.603722 
1 1 1   15    6   20 o  120.864   1.0553  1962.49   34.259  1958.59   48.292  1966.45   48.607  120.724   1.4893  120.965   1.4961 -0.2417068 2.111001 
1 1 1   15    6   21 o   89.717   0.8989  1081.27   21.660  1063.31   29.156  1103.38   32.357   88.959   1.2203   90.615   1.3295 -1.656342 1.804579 
1 1 1   15    6   22 o  101.750   0.9362  1390.84   25.586  1417.41   36.465  1365.07   35.910  102.700   1.3219  100.786   1.3266 1.914330 1.872782 
1 1 1   15    6   23 o   48.763   0.7230  319.407   9.4690  305.165   13.058  335.201   13.751   47.658   1.0201   49.949   1.0250 -2.290295 1.446111 
1 1 1   15    6   24 o   12.623   1.6215   21.777   5.3704   20.664   7.1624   23.206   8.1165   12.195   2.2703   12.918   2.4285 -0.7229424 3.324418 
1 1 1   15    6   25 o   99.141   0.9241  1320.59   24.609  1304.31   34.480  1337.49   35.133   98.506   1.3032   99.751   1.3113 -1.244530 1.848746 
1 1 1   15    6   26 o   24.016   0.8913   77.495   5.7495   69.790   7.7543   86.905   8.5687   22.750   1.2741   25.427   1.2547 -2.676888 1.788199 
1 1 1   15    6   27 o   34.213   0.7709  157.256   7.0843  168.859   9.8480  144.812   10.199   35.447   1.0344   32.824   1.1568 2.623722 1.551819 
1 1 1   15    6   28 o   44.401   0.7833  264.865   9.3414  263.115   13.024  266.719   13.406   44.245   1.0959   44.546   1.1205 -0.3011856 1.567323 
1 1 1   15    6   29 o   93.128   0.8956  1165.40   22.401  1167.69   31.582  1163.08   31.779   93.192   1.2617   93.007   1.2721 0.1852493 1.791748 
1 1 1   15    6   30 o   32.415   0.8545  141.187   7.4392  141.413   10.883  140.989   10.192   32.430   1.2494   32.384   1.1718 0.4622269E-01 1.712932 
1 1 1   15    6   31 o   89.255   1.0165  1070.81   24.368  1049.43   35.678  1089.51   33.363   88.313   1.5041   89.998   1.3802 -1.684410 2.041378 
1 1 1   15    6   32 o   88.458   0.9632  1051.76   22.884  1073.87   32.150  1029.05   32.580   89.347   1.3397   87.457   1.3869 1.889732 1.928324 
1 1 1   15    6   33 o   96.962   0.9616  1263.81   25.044  1256.48   33.737  1272.81   37.378   96.642   1.2997   97.250   1.4310 -0.6079178 1.933111 
1 1 1   15    6   34 o   26.274   0.9877   92.812   6.9702   84.950   9.8779  100.609   9.8368   25.076   1.4731   27.342   1.3395 -2.266220 1.991012 
1 1 1   15    6   35 o   86.612   0.8731  1008.44   20.311  1008.29   28.606  1008.60   28.845   86.562   1.2304   86.574   1.2405 -0.1208496E-01 1.747164 
1 1 1   15    6   36 o   67.116   0.8864  605.641   15.979  614.583   20.388  591.403   25.728   67.585   1.1232   66.258   1.4457 1.327377 1.830698 
1 1 1   15    6   37 o   46.387   0.8313  289.296   10.357  285.359   13.501  294.925   16.144   46.051   1.0915   46.799   1.2843 -0.7479630 1.685521 
1 1 1   15    6   38 o   32.133   0.9837  138.904   8.4899  143.694   11.965  134.046   12.049   32.657   1.3641   31.537   1.4225 1.119934 1.970804 
1 1 1   15    6   39 o   85.830   1.0108  991.252   23.303  1004.98   35.104  980.438   31.158   86.319   1.5141   85.294   1.3601 1.024719 2.035258 
1 1 1   15    6   40 o   30.301   0.9113  123.506   7.4162  120.639   10.109  126.848   10.913   29.924   1.2577   30.680   1.3244 -0.7550678 1.826449 
1 1 1   15    6   41 o   24.476   1.0775   80.649   7.0832   81.963   10.195   79.422   9.8487   24.594   1.5513   24.212   1.5222 0.3817940 2.173366 
1 1 1   15    6   42 o   99.042   1.0074  1320.41   26.798  1339.12   39.870  1304.99   36.193   99.605   1.4903   98.366   1.3699 1.239052 2.024258 
1 1 1   15    6   43 o   62.662   0.7802  528.110   13.131  528.452   17.586  527.680   19.739   62.645   1.0452   62.577   1.1744 0.6795120E-01 1.572153 
1 1 1   15    6   44 o   17.395   1.3018   41.050   6.0381   36.143   7.7216   48.773   9.6871   16.237   1.8009   18.865   1.9394 -2.627970 2.646629 
1 1 1   15    6   45 o   25.810   1.1788   89.828   8.1717   97.381   11.522   82.185   11.591   26.778   1.6095   24.563   1.7688 2.215651 2.391456 
1 1 1   15    6   46 o   15.292   1.6158   32.007   6.5359   28.797   9.1650   35.329   9.3234   14.313   2.4735   15.945   2.2386 -1.632680 3.336122 
1 1 1   15    6   47 o   45.885   0.8598  283.441   10.597  290.998   14.995  275.902   14.977   46.439   1.2022   45.213   1.2333 1.226185 1.722303 
1 1 1   15    6   48 o   52.487   0.8514  370.869   12.002  379.296   16.856  362.202   17.094   53.019   1.1836   51.801   1.2286 1.217957 1.706039 
1 1 1   15    6   49 o   49.222   0.9343  326.337   12.352  331.404   16.644  320.125   18.430   49.544   1.2507   48.659   1.4102 0.8853683 1.884952 
1 1 1   15    6   50 o   13.004   2.2782   23.768   7.6671   17.181   9.7174   34.631   12.479   10.977   3.1384   15.542   3.0981 -4.565204 4.409962 
1 1 1   15    6   51 o   42.592   0.9076  244.397   10.383  246.111   14.557  242.621   14.814   42.676   1.2700   42.365   1.3019 0.3103523 1.818749 
1 1 1   15    6   52 o   23.412   1.5760   74.734   9.8528   84.401   15.233   67.780   12.919   24.678   2.3256   22.130   2.2028 2.547928 3.203224 
1 1 1   15    6   53 o   20.440   1.6537   57.244   9.0008   60.127   12.191   53.789   13.346   20.792   2.2171   19.523   2.6106 1.268921 3.425014 
1 1 1   15    6   54 o   36.134   1.2162  176.904   11.803  183.374   16.222  169.624   17.207   36.655   1.6477   35.144   1.8292 1.510944 2.461904 
1 1 1   15    6   55 o   27.217   1.4391  101.190   10.482  113.580   20.035   96.520   12.300   28.278   2.6694   26.476   1.7393 1.801704 3.186085 
1 1 1   15    6   56 o   19.479   2.3231   53.831   11.915   52.053   18.102   55.189   15.826   18.389   3.7910   19.313   3.1603 -0.9236374 4.935544 
1 1 1   15    6   57 o   29.092   2.0721  118.757   16.085  128.800   28.389  114.009   19.521   28.988   3.7329   28.152   2.6113 0.8356667 4.555625 
1 1 1   15    7  -56 o   7.1249   3.3572 -14.0924   16.639   0.0000   0.0000 -14.0924   16.639  ?   ?    7.1249   3.3572 0.000000 3.357233 
1 1 1   15    7  -54 o   14.586   3.4218   31.914   13.174   31.976   18.831   31.855   18.438   14.350   4.4360   14.329   4.3828 0.2108765E-01 6.235964 
1 1 1   15    7  -53 o   14.329   3.1058   30.101   11.609   27.789   16.030   32.649   16.833   13.591   4.0713   14.649   4.1107 -1.057716 5.785603 
1 1 1   15    7  -52 o   34.539   1.5541  162.111   14.417  151.821   20.159  172.883   20.626   33.130   2.2794   35.406   2.1796 -2.275944 3.153730 
1 1 1   15    7  -51 o   9.6587   2.3444   13.321   6.0204   17.022   7.8527   8.0441   9.3770   10.881   2.6998   8.4333   3.1215 2.447728 4.127034 
1 1 1   15    7  -50 o   14.257   1.7192   27.994   6.4506   13.211   8.2772   50.859   10.294   9.7050   2.9297   19.208   2.0259 -9.502963 3.561945 
1 1 1   15    7  -49 o   12.819   1.7566   22.715   5.8893   22.187   7.9940   23.341   8.7092   12.511   2.4666   12.806   2.6204 -0.2948780 3.598671 
1 1 1   15    7  -48 o   8.6923   2.4840   10.621   6.0891   2.7750   8.0794   20.938   9.2643   6.8668   2.7929   12.078   2.8937 -5.211238 4.021676 
1 1 1   15    7  -47 o   17.149   1.5161   40.111   6.9114   37.655   9.5666   42.792   9.9960   16.465   2.2198   17.584   2.1620 -1.118965 3.098701 
1 1 1   15    7  -46 o   37.653   0.8733  190.882   8.8320  191.644   13.001  190.230   12.036   37.672   1.2849   37.547   1.1935 0.1250648 1.753621 
1 1 1   15    7  -45 o   31.397   0.8440  132.690   7.1179  117.612   9.3926  153.030   10.909   29.527   1.1843   33.678   1.2060 -4.151093 1.690285 
1 1 1   15    7  -44 o   28.104   0.9487  106.352   7.1610  106.058   9.5789  106.724   10.782   28.035   1.2721   28.068   1.4350 -0.3347969E-01 1.917659 
1 1 1   15    7  -43 o   47.973   0.7787  309.572   10.034  299.947   14.746  317.871   13.692   47.173   1.1638   48.579   1.0494 -1.405674 1.567053 
1 1 1   15    7  -42 o   54.882   0.8358  405.205   12.320  405.315   15.631  405.025   20.018   54.860   1.0608   54.791   1.3602 0.6885910E-01 1.724994 
1 1 1   15    7  -41 o   32.622   0.8886  143.181   7.7864  141.558   9.2820  147.036   14.304   32.424   1.0658   32.990   1.6143 -0.5658035 1.934448 
1 1 1   15    7  -40 o   57.122   0.7548  438.736   11.580  443.488   16.191  433.760   16.568   57.398   1.0502   56.760   1.0868 0.6377754 1.511315 
1 1 1   15    7  -39 o   26.728   0.8122   96.071   5.8311   95.016   7.7058   97.483   8.9194   26.568   1.0799   26.901   1.2345 -0.3329659 1.640135 
1 1 1   15    7  -38 o   36.044   1.0171  174.825   9.8464  177.000   25.363  174.439   10.684   35.969   2.6438   35.998   1.1050 -0.2900696E-01 2.865475 
1 1 1   15    7  -37 o   26.234   1.0698   92.614   7.5382   95.746   15.609   91.661   8.6087   26.494   2.2137   26.090   1.2285 0.4043427 2.531754 
1 1 1   15    7  -36 o   78.516   0.9218  829.076   19.439  822.487   31.382  833.177   24.761   78.114   1.4958   78.676   1.1717 -0.5623398 1.900073 
1 1 1   15    7  -35 o   9.1045   2.2184   11.661   5.3749   17.054   9.8107   9.3472   6.4250   11.050   3.1514   8.3288   2.5939 2.721188 4.081593 
1 1 1   15    7  -34 o   31.480   0.9694  133.256   8.1969  130.716   17.012  134.024   9.3543   31.044   2.0519   31.565   1.1034 -0.5210590 2.329732 
1 1 1   15    7  -33 o   35.373   0.9050  168.205   8.5987  150.135   14.033  179.068   10.880   33.387   1.5649   36.489   1.1102 -3.101948 1.918723 
1 1 1   15    7  -32 o   27.855   0.9512  104.300   7.1168  106.757   13.175  103.287   8.4568   28.094   1.7547   27.714   1.1361 0.3807487 2.090410 
1 1 1   15    7  -31 f   36.210   1.0436  176.266   10.149  178.960   13.965  173.251   14.776   36.469   1.4257   35.877   1.5334 0.5919418 2.093778 
1 1 1   15    7  -30 o  105.063   1.1989  1484.27   33.832  1478.42   47.661  1490.22   48.032  104.790   1.6934  105.206   1.6998 -0.4165115 2.399341 
1 1 1   15    7  -29 o   45.511   1.0305  278.404   12.596  284.398   16.678  270.446   19.219   45.984   1.3504   44.829   1.5962 1.155354 2.090733 
1 1 1   15    7  -28 o   40.499   1.1444  220.487   12.449  219.311   15.155  222.928   21.830   40.381   1.3973   40.681   1.9979 -0.3001366 2.437987 
1 1 1   15    7  -27 o   97.224   1.3174  1271.00   34.403  1242.20   58.636  1286.12   42.483   95.998   2.2741   97.770   1.6178 -1.771225 2.790838 
1 1 1   15    7  -26 o   48.446   1.1105  315.454   14.450  334.888   25.333  306.083   17.592   49.877   1.8910   47.711   1.3728 2.166504 2.336751 
1 1 1   15    7  -25 o  124.506   1.3361  2084.10   44.681  2080.93   62.956  2087.32   63.424  124.344   1.8850  124.534   1.8962 -0.1892319 2.673720 
1 1 1   15    7  -24 o   95.837   1.1262  1234.34   28.991  1227.49   40.783  1241.33   41.218   95.537   1.5893   96.073   1.5973 -0.5363007 2.253314 
1 1 1   15    7  -23 o   46.596   0.9381  291.714   11.740  263.128   16.144  323.802   17.104   44.243   1.3585   49.082   1.2974 -4.838634 1.878535 
1 1 1   15    7  -22 o  111.474   1.5248  1670.60   45.653  1729.39   72.911  1632.69   58.552  113.330   2.3953  110.162   1.9789 3.168297 3.106977 
1 1 1   15    7  -21 o   31.834   0.9587  136.147   8.1970  132.900   11.525  139.472   11.661   31.446   1.3645   32.214   1.3477 -0.7684898 1.917858 
1 1 1   15    7  -20 o   50.972   1.0064  349.055   13.779  355.932   16.766  334.746   24.186   51.468   1.2128   49.896   1.8047 1.571800 2.174361 
1 1 1   15    7  -19 o  149.235   1.3638  2992.80   54.666  3078.71   78.491  2911.88   76.179  151.314   1.9313  147.158   1.9273 4.156357 2.728470 
1 1 1   15    7  -18 o   77.600   0.8792  808.890   18.325  813.835   25.913  803.944   25.917   77.828   1.2396   77.353   1.2474 0.4746246 1.758626 
1 1 1   15    7  -17 o  118.499   1.0819  1886.41   34.434  1886.32   51.142  1886.49   46.573  118.473   1.6072  118.485   1.4634 -0.1285553E-01 2.173643 
1 1 1   15    7  -16 o   83.408   0.8643  934.469   19.364  975.082   29.441  903.507   25.706   85.191   1.2867   82.008   1.1670 3.183105 1.737081 
1 1 1   15    7  -15 o  177.896   1.4418  4252.23   68.891  4242.38   97.290  4262.15   97.562  177.645   2.0390  178.058   2.0400 -0.4133301 2.884307 
1 1 1   15    7  -14 o  138.635   1.1660  2581.92   43.418  2542.60   60.771  2622.90   62.053  137.554   1.6449  139.709   1.6537 -2.154770 2.332418 
1 1 1   15    7  -13 o  123.609   1.0652  2052.43   35.365  2059.91   50.052  2044.97   49.974  123.819   1.5050  123.369   1.5081 0.4499435 2.130646 
1 1 1   15    7  -12 o  137.092   1.1545  2524.65   42.512  2529.41   60.104  2519.89   60.139  137.202   1.6310  136.943   1.6350 0.2586365 2.309416 
1 1 1   15    7  -11 o   85.062   0.9065  971.862   20.712  933.272   32.069  999.477   27.129   83.346   1.4326   86.258   1.1709 -2.911308 1.850223 
1 1 1   15    7  -10 o  182.774   1.7029  4488.76   83.596  4605.40  127.127  4399.90  110.960  185.071   2.5575  180.917   2.2835 4.153976 3.428530 
1 1 1   15    7   -9 o  164.353   1.4744  3629.01   65.084  3644.17   84.147  3606.44  102.682  164.675   1.9025  163.794   2.3340 0.8813171 3.011157 
1 1 1   15    7   -8 o   40.114   0.8926  216.131   9.6175  212.417   12.529  221.458   15.006   39.766   1.1730   40.602   1.3761 -0.8356056 1.808187 
1 1 1   15    7   -7 o   64.150   0.7944  552.721   13.688  536.040   17.518  578.867   21.932   63.173   1.0324   65.645   1.2439 -2.472431 1.616543 
1 1 1   15    7   -6 o  194.816   1.7106  5099.41   89.506  5260.82  144.144  4998.12  114.188  197.803   2.7131  192.841   2.2046 4.962433 3.495907 
1 1 1   15    7   -5 o  118.899   1.1314  1898.94   36.132  1890.12   51.139  1907.73   51.058  118.611   1.6052  119.162   1.5953 -0.5516815 2.263103 
1 1 1   15    7   -4 f   48.230   0.7988  312.417   10.348  311.288   15.766  313.272   13.715   48.139   1.2194   48.294   1.0573 -0.1546097 1.613932 
1 1 1   15    7   -3 o  133.360   1.3037  2389.06   46.698  2368.29   62.409  2415.48   70.389  132.765   1.7502  134.073   1.9547 -1.308319 2.623684 
1 1 1   15    7   -2 o   54.470   0.8641  398.495   12.642  391.661   16.186  409.188   20.244   53.999   1.1160   55.191   1.3657 -1.192341 1.763642 
1 1 1   15    7   -1 o  137.396   1.3341  2535.88   49.233  2508.38   60.025  2592.42   86.063  136.639   1.6356  138.881   2.3072 -2.241562 2.828091 
1 1 1   15    7    0 o  162.990   1.5398  3568.97   67.407  3643.34   83.638  3431.13  113.864  164.664   1.8911  159.754   2.6536 4.910263 3.258535 
1 1 1   15    7    1 o  149.952   1.3613  3020.60   54.828  3065.08   71.389  2956.65   85.609  151.038   1.7598  148.325   2.1489 2.712952 2.777503 
1 1 1   15    7    2 o  160.231   1.5177  3449.14   65.315  3470.43   80.333  3407.64  112.188  160.710   1.8611  159.208   2.6236 1.502701 3.216609 
1 1 1   15    7    3 o  137.164   1.2653  2527.25   46.613  2559.27   60.621  2480.95   72.910  138.018   1.6353  135.876   1.9978 2.142212 2.581745 
1 1 1   15    7    4 f  106.855   1.0477  1533.65   30.070  1501.65   38.437  1584.11   48.275  105.728   1.3535  108.584   1.6552 -2.856270 2.138191 
1 1 1   15    7    5 o   65.484   0.8078  575.938   14.208  590.781   18.545  554.846   22.106   66.320   1.0411   64.268   1.2806 2.051529 1.650403 
1 1 1   15    7    6 o   64.934   0.8505  566.307   14.833  587.589   20.167  541.225   21.892   66.139   1.1352   63.474   1.2841 2.664864 1.713962 
1 1 1   15    7    7 o  142.638   1.3072  2733.10   50.079  2763.23   65.037  2689.22   78.489  143.408   1.6885  141.458   2.0658 1.950363 2.668060 
1 1 1   15    7    8 o  225.774   2.1906  6851.27  132.842  6862.03  153.606  6819.34  264.589  225.920   2.5314  224.968   4.3788 0.9521637 5.057896 
1 1 1   15    7    9 o  129.287   1.1540  2245.31   40.074  2259.14   54.387  2228.88   59.275  129.672   1.5616  128.795   1.7135 0.8769989 2.318287 
1 1 1   15    7   10 o   95.415   0.9319  1222.83   23.883  1247.56   32.634  1194.30   35.047   96.369   1.2608   94.286   1.3839 2.082741 1.872104 
1 1 1   15    7   11 o   36.693   0.7633  180.830   7.5224  189.137   10.367  171.593   10.932   37.524   1.0286   35.741   1.1388 1.783562 1.534570 
1 1 1   15    7   12 o  119.908   1.1446  1931.40   36.862  1921.44   58.053  1938.13   47.715  119.574   1.8076  120.106   1.4791 -0.5315247 2.335602 
1 1 1   15    7   13 o  146.257   1.2223  2873.68   48.016  2949.79   68.961  2802.06   66.895  148.158   1.7330  144.400   1.7248 3.757278 2.445004 
1 1 1   15    7   14 o  123.475   1.1704  2048.12   38.817  2069.24   61.473  2034.11   50.059  124.081   1.8445  123.039   1.5148 1.042145 2.386811 
1 1 1   15    7   15 o  245.315   2.1193  8090.72  139.638  8131.56  198.109  8050.40  196.854  245.797   3.0008  244.568   2.9968 1.228989 4.240894 
1 1 1   15    7   16 o   78.939   1.1376  837.138   24.120  809.010   32.957  869.581   35.395   77.590   1.5815   80.440   1.6383 -2.850227 2.277038 
1 1 1   15    7   17 o  131.408   1.2314  2320.02   43.462  2335.73   61.575  2304.43   61.355  131.824   1.7391  130.937   1.7446 0.8864899 2.463330 
1 1 1   15    7   18 o   77.223   0.8490  801.029   17.608  800.968   28.837  801.065   22.235   77.205   1.3906   77.219   1.0721 -0.1399994E-01 1.755890 
1 1 1   15    7   19 o   70.298   0.7802  663.795   14.731  631.805   22.104  689.355   19.758   68.573   1.2001   71.633   1.0269 -3.059738 1.579529 
1 1 1   15    7   20 o   18.354   1.1058   45.425   5.4257   45.821   7.7365   45.041   7.6113   18.395   1.5812   18.238   1.5691 0.1572113 2.227590 
1 1 1   15    7   21 o   60.628   0.7507  493.750   12.225  503.870   18.708  486.208   16.151   61.237   1.1374   60.158   0.9996 1.079159 1.514218 
1 1 1   15    7   22 o   77.001   0.8414  796.514   17.402  809.052   25.874  786.157   23.516   77.590   1.2416   76.488   1.1447 1.101692 1.688702 
1 1 1   15    7   23 o   19.966   1.1122   53.734   5.9405   60.470   7.9380   45.158   8.9561   21.163   1.4045   18.228   1.8552 2.935108 2.326891 
1 1 1   15    7   24 o   58.810   0.7367  464.614   11.636  456.859   16.171  472.942   16.757   58.308   1.0326   59.325   1.0516 -1.016830 1.473790 
1 1 1   15    7   25 o   40.512   0.7377  220.483   8.0265  229.408   11.164  210.933   11.548   41.318   1.0060   39.617   1.0853 1.700634 1.479796 
1 1 1   15    7   26 o   13.168   1.4249   23.590   4.9592   23.385   6.5297   23.870   7.6233   13.041   1.9218   13.128   2.2425 -0.8670235E-01 2.953340 
1 1 1   15    7   27 o   13.261   1.4622   23.938   5.1213   24.601   6.8651   23.107   7.6902   13.374   1.9702   12.901   2.3039 0.4732504 3.031454 
1 1 1   15    7   28 o   14.409   1.4402   28.204   5.4991   32.471   7.6357   23.606   7.9262   15.415   1.8834   13.033   2.3507 2.381525 3.012134 
1 1 1   15    7   29 o   29.736   0.8978  118.824   7.1704  117.359   10.703  120.017   9.6583   29.540   1.3490   29.877   1.2036 -0.3370457 1.807840 
1 1 1   15    7   30 o   27.187   0.8829   99.329   6.4473   93.060   8.7888  106.634   9.4869   26.306   1.2439   28.159   1.2543 -1.852869 1.766535 
1 1 1   15    7   31 f   75.530   0.8152  766.625   16.538  783.876   23.368  749.315   23.409   76.352   1.1395   74.648   1.1675 1.704483 1.631447 
1 1 1   15    7   32 o   63.493   0.7741  541.742   13.202  543.867   18.419  539.495   18.933   63.598   1.0783   63.340   1.1129 0.2586937 1.549560 
1 1 1   15    7   33 o   11.882   1.7409   19.429   5.3911   19.621   6.7211   19.082   9.0279   11.868   2.1891   11.636   2.8993 0.2327080 3.632883 
1 1 1   15    7   34 o   84.777   0.9574  966.391   21.800  984.296   27.914  938.394   34.905   85.526   1.2151   83.455   1.5572 2.071228 1.975215 
1 1 1   15    7   35 o   39.219   1.0196  206.887   10.741  211.758   12.652  194.317   20.325   39.667   1.1875   37.872   2.0052 1.795010 2.330467 
1 1 1   15    7   36 o   63.932   0.9139  549.663   15.693  549.854   21.070  549.425   23.519   63.907   1.2275   63.862   1.3711 0.4471588E-01 1.840318 
1 1 1   15    7   37 o   16.999   1.3866   39.197   6.2755   31.130   7.6413   55.911   10.999   15.053   1.9347   20.226   2.0532 -5.172500 2.821116 
1 1 1   15    7   38 o   79.959   0.9283  860.041   19.937  861.543   28.012  858.499   28.383   79.964   1.3042   79.819   1.3239 0.1453705 1.858439 
1 1 1   15    7   39 o   97.201   0.9447  1271.12   24.664  1266.28   34.599  1276.13   35.169   96.929   1.3290   97.301   1.3457 -0.3722153 1.891339 
1 1 1   15    7   40 o   81.186   0.9147  886.761   19.945  894.930   29.602  879.971   26.991   81.472   1.3528   80.813   1.2435 0.6591949 1.837461 
1 1 1   15    7   41 o   61.507   0.8583  508.910   14.179  512.313   20.919  506.017   19.286   61.651   1.2633   61.287   1.1716 0.3642464 1.722937 
1 1 1   15    7   42 o   25.763   0.9706   89.348   6.7165   89.711   8.6695   88.803   10.622   25.796   1.2513   25.592   1.5527 0.2037811 1.994133 
1 1 1   15    7   43 o   29.479   0.9736  117.002   7.7085  124.020   10.221  107.742   11.739   30.324   1.2549   28.190   1.5565 2.134449 1.999327 
1 1 1   15    7   44 o   48.388   1.0402  315.458   13.519  282.468   19.712  344.760   18.577   45.687   1.6064   50.527   1.3689 -4.839626 2.110528 
1 1 1   15    7   45 o   33.135   0.9276  147.853   8.2550  147.242   11.451  148.514   11.912   33.024   1.2909   33.160   1.3374 -0.1359138 1.858828 
1 1 1   15    7   46 o   28.952   1.0058  112.947   7.8210  108.287   10.718  118.253   11.438   28.302   1.4100   29.571   1.4400 -1.269493 2.015416 
1 1 1   15    7   47 o   21.419   1.3504   62.236   7.7287   64.255   9.9432   59.154   12.284   21.698   1.7203   20.693   2.2463 1.004198 2.829318 
1 1 1   15    7   48 o   14.977   1.7635   30.855   6.9580   37.309   9.1233   21.882   10.758   16.411   2.1194   12.320   3.2164 4.090994 3.851902 
1 1 1   15    7   49 o   27.327   1.1366  100.753   8.3428  106.122   11.339   94.416   12.319   27.956   1.5158   26.314   1.7530 1.641817 2.317473 
1 1 1   15    7   50 o   19.504   1.5162   51.840   7.8801   58.647   11.913   46.545   10.507   20.600   2.1866   18.329   2.1769 2.270645 3.085436 
1 1 1   15    7   51 o   36.634   1.1855  181.317   11.665  179.524   14.761  184.298   19.037   36.385   1.5105   36.703   1.9379 -0.3177147 2.457064 
1 1 1   15    7   52 o   39.630   1.1348  212.252   12.079  216.265   15.822  206.645   18.701   39.916   1.4758   38.922   1.7888 0.9944420 2.319054 
1 1 1   15    7   53 o   20.163   1.7083   55.893   9.1643   52.867   12.911   58.965   13.010   19.334   2.5483   20.486   2.4106 -1.152321 3.507811 
1 1 1   15    7   54 o   19.643   2.0002   53.718   10.406   56.620   18.277   52.326   12.657   19.441   3.6337   19.191   2.5162 0.2505360 4.419874 
1 1 1   15    7   55 o   14.216   3.0474   30.048   11.286   9.2365   17.869   43.861   14.557   10.120   4.1390   17.136   3.2824 -7.015422 5.282572 
1 1 1   15    7   56 o   17.764   3.0388   46.874   13.978   36.890   22.851   52.843   17.669   14.857   4.9179   18.495   3.6863 -3.637451 6.146133 
1 1 1   15    7   57 o   21.916   2.8438   70.774   16.345   58.077   20.239   94.590   27.717   18.954   4.0950   23.970   4.4696 -5.016037 6.061850 
1 1 1   15    8  -56 o   9.9406   4.3205   4.7570   21.488   0.0000   0.0000   4.7570   21.488  ?   ?    9.9406   4.3205 0.000000 4.320500 
1 1 1   15    8  -55 o   28.190   2.7095  114.467   20.263   0.0000   0.0000  114.467   20.263  ?   ?    28.190   2.7095 0.000000 2.709464 
1 1 1   15    8  -54 o   9.4197   3.7756   8.4958   14.531 -20.7400   25.192   23.071   17.787   8.6747   4.1007   12.467   4.3363 -3.792534 5.968204 
1 1 1   15    8  -53 o   8.5142   3.3972   6.4172   11.707   9.6071   16.357   3.0678   16.761   10.018   4.0092   9.1348   3.8904 0.8827496 5.586520 
1 1 1   15    8  -52 o   39.874   1.4569  216.080   15.603  192.774   21.925  239.994   22.210   37.323   2.1968   41.815   1.9775 -4.491756 2.955781 
1 1 1   15    8  -51 o   12.577   3.0180   23.010   10.065   10.598   16.441   30.451   12.729   10.340   4.0573   14.406   3.3526 -4.065981 5.263242 
1 1 1   15    8  -50 o   11.747   2.3210   19.580   7.0636   24.094   9.3606   13.610   10.765   12.953   2.7741   10.062   3.3766 2.891085 4.370025 
1 1 1   15    8  -49 o   7.6573   2.6358   7.4264   6.5641   6.8483   8.8267   8.1417   9.8182   8.0268   3.0171   8.5728   3.1899 -0.5459213 4.390674 
1 1 1   15    8  -48 o   15.121   1.4180   31.197   5.6918   29.821   7.3060   33.323   9.0786   14.689   1.8961   15.457   2.2529 -0.7686472 2.944644 
1 1 1   15    8  -47 o   56.480   0.8540  429.515   12.956  440.466   19.509  420.875   17.329   57.105   1.2720   55.849   1.1552 1.256321 1.718246 
1 1 1   15    8  -46 o   64.671   0.8591  563.129   14.922  557.302   20.880  569.212   21.334   64.254   1.2098   64.933   1.2233 -0.6792374 1.720493 
1 1 1   15    8  -45 o   39.796   0.7888  213.135   8.4314  219.420   11.450  205.690   12.462   40.344   1.0566   39.042   1.1884 1.302292 1.590204 
1 1 1   15    8  -44 o   59.828   0.7925  481.680   12.735  485.200   17.634  477.842   18.410   59.991   1.0944   59.522   1.1515 0.4689217 1.588616 
1 1 1   15    8  -43 o   20.842   1.1096   58.715   6.1890   52.855   7.2568   74.351   11.853   19.735   1.3777   23.327   1.9086 -3.591627 2.353849 
1 1 1   15    8  -42 f   40.624   0.8366  222.050   9.1285  222.391   12.356  221.641   13.546   40.622   1.1324   40.539   1.2440 0.8332825E-01 1.682263 
1 1 1   15    8  -41 o   19.807   1.3311   53.157   7.0401   50.865   12.097   54.331   8.6573   19.180   2.4007   19.982   1.6272 -0.8023624 2.900216 
1 1 1   15    8  -40 o   31.911   1.0262  137.095   8.7954  132.692   14.312  139.768   11.149   31.281   1.7099   32.198   1.2892 -0.9172802 2.141458 
1 1 1   15    8  -39 o   6.7463   2.4567   5.0694   5.7718  -5.3200   10.412   9.6785   6.9349   6.3548   2.8692   8.4946   2.7016 -2.139843 3.940972 
1 1 1   15    8  -38 o   56.062   0.8598  422.739   12.947  397.875   21.263  437.388   16.321   54.311   1.4576   57.002   1.0660 -2.691334 1.805842 
1 1 1   15    8  -37 o   17.147   1.5116   39.968   6.8906   6.7440   18.594   45.257   7.4188   10.426   4.2382   18.252   1.5273 -7.826491 4.505043 
1 1 1   15    8  -36 o   69.279   0.9415  645.616   17.520  610.628   31.734  660.956   21.012   67.239   1.7572   70.074   1.1164 -2.834824 2.081819 
1 1 1   15    8  -35 o   63.215   0.8582  537.333   14.571  547.704   23.935  531.226   18.366   63.756   1.3978   62.830   1.0883 0.9252357 1.771475 
1 1 1   15    8  -34 o   55.636   0.9190  416.243   13.733  424.202   20.765  410.056   18.309   56.120   1.3776   55.192   1.2351 0.9277687 1.850211 
1 1 1   15    8  -33 o   41.824   0.8824  235.170   9.9129  252.575   16.347  225.047   12.467   43.308   1.4054   40.899   1.1348 2.408611 1.806350 
1 1 1   15    8  -32 o   45.378   0.8627  276.793   10.515  298.900   17.320  263.889   13.232   47.123   1.3684   44.294   1.1122 2.828300 1.763402 
1 1 1   15    8  -31 o   66.742   0.9399  598.809   16.848  621.140   28.559  586.888   20.866   67.916   1.5656   66.056   1.1761 1.860146 1.958105 
1 1 1   15    8  -30 o   90.057   1.1052  1090.52   26.733  1077.10   37.661  1104.14   37.952   89.446   1.5676   90.563   1.5603 -1.116631 2.211734 
1 1 1   15    8  -29 o   21.362   1.0316   61.343   5.9190   59.472   11.203   62.068   6.9714   20.908   2.0201   21.449   1.2151 -0.5410442 2.357334 
1 1 1   15    8  -28 o   99.070   1.0189  1319.27   27.112  1313.95   43.264  1322.70   34.790   98.802   1.6303   99.171   1.3061 -0.3687897 2.088986 
1 1 1   15    8  -27 o   55.714   0.8919  417.119   13.347  460.295   20.645  386.121   17.493   58.504   1.3138   53.589   1.2154 4.915497 1.789773 
1 1 1   15    8  -26 f   54.096   0.9489  393.267   13.787  380.580   27.000  397.742   16.034   53.163   1.8909   54.397   1.0975 -1.233650 2.186275 
1 1 1   15    8  -25 o   68.318   0.8731  627.145   16.022  579.355   26.922  653.355   19.937   65.628   1.5273   69.722   1.0646 -4.094627 1.861735 
1 1 1   15    8  -24 o  103.936   1.1051  1451.91   30.850  1450.74   46.445  1452.84   41.270  103.842   1.6652  103.937   1.4783 -0.9484863E-01 2.226775 
1 1 1   15    8  -23 o   28.629   0.8665  110.123   6.6629  105.943   9.2176  114.698   9.6424   28.074   1.2224   29.211   1.2290 -1.136852 1.733390 
1 1 1   15    8  -22 o   13.199   1.3234   23.653   4.6282   23.711   6.2977   23.584   6.8247   13.149   1.8330   13.087   2.0054 0.6182194E-01 2.716886 
1 1 1   15    8  -21 o   86.891   1.0996  1014.55   25.663  1010.78   33.931  1019.58   39.227   86.710   1.4569   87.071   1.6773 -0.3612595 2.221731 
1 1 1   15    8  -20 o  110.138   1.3877  1630.48   41.051  1712.21   59.498  1556.23   56.712  112.815   1.9636  107.553   1.9632 5.261353 2.776618 
1 1 1   15    8  -19 o  142.090   1.3102  2713.29   50.003  2682.72   78.727  2733.96   64.738  141.211   2.0757  142.596   1.6903 -1.385315 2.676854 
1 1 1   15    8  -18 o   89.754   0.8569  1082.16   20.659  1099.20   29.377  1065.50   29.057   90.446   1.2093   89.048   1.2149 1.397392 1.714142 
1 1 1   15    8  -17 o   84.808   0.8310  966.138   18.930  965.506   26.675  966.780   26.867   84.770   1.1716   84.826   1.1792 -0.5563354E-01 1.662292 
1 1 1   15    8  -16 o   39.114   0.7457  205.501   7.8341  209.867   11.847  202.107   10.443   39.523   1.1160   38.787   1.0024 0.7360878 1.500117 
1 1 1   15    8  -15 o  107.281   0.9627  1546.05   27.740  1544.79   39.183  1547.31   39.277  107.222   1.3606  107.310   1.3627 -0.8741760E-01 1.925666 
1 1 1   15    8  -14 o   35.530   0.7048  169.558   6.7262  165.705   9.2275  173.927   9.8251   35.122   0.9782   35.982   1.0166 -0.8604431 1.410785 
1 1 1   15    8  -13 o  117.963   1.0303  1869.29   32.644  1870.94   46.157  1867.64   46.174  117.999   1.4563  117.895   1.4582 0.1043472 2.060884 
1 1 1   15    8  -12 o   82.000   0.8538  903.173   18.804  904.604   25.346  901.422   28.045   82.059   1.1500   81.912   1.2747 0.1474686 1.716795 
1 1 1   15    8  -11 o  152.546   1.3205  3126.37   54.103  3108.72   72.973  3147.92   80.624  152.089   1.7864  153.033   1.9615 -0.9440918 2.653019 
1 1 1   15    8  -10 o   31.910   0.8351  136.765   7.1570  128.715   9.6840  146.455   10.624   30.954   1.1648   33.018   1.1980 -2.063995 1.670900 
1 1 1   15    8   -9 o   83.511   0.9473  936.777   21.247  930.860   31.681  941.614   28.645   83.237   1.4170   83.720   1.2739 -0.4828415 1.905443 
1 1 1   15    8   -8 o   85.448   0.8680  980.699   19.922  962.643   29.289  996.245   27.177   84.650   1.2882   86.117   1.1749 -1.467194 1.743538 
1 1 1   15    8   -7 o   67.922   0.8222  619.639   14.999  622.119   19.552  616.092   23.383   68.054   1.0697   67.720   1.2856 0.3338852 1.672367 
1 1 1   15    8   -6 o  113.723   1.0002  1737.17   30.550  1695.89   42.708  1780.42   43.718  112.353   1.4153  115.119   1.4139 -2.766174 2.000521 
1 1 1   15    8   -5 o  109.689   1.0179  1616.13   29.989  1620.96   44.637  1612.15   40.487  109.840   1.5130  109.545   1.3760 0.2945480 2.045155 
1 1 1   15    8   -4 o   65.922   0.9697  583.711   17.170  589.799   26.953  579.553   22.274   66.256   1.5146   65.683   1.2625 0.5737686 1.971780 
1 1 1   15    8   -3 o   99.948   0.9554  1341.79   25.648  1342.14   38.238  1341.51   34.580   99.951   1.4244   99.931   1.2883 0.2037048E-01 1.920583 
1 1 1   15    8   -2 o  111.087   1.0278  1657.56   30.666  1663.29   41.602  1650.75   45.382  111.270   1.3920  110.846   1.5243 0.4240036 2.064267 
1 1 1   15    8   -1 o  136.285   1.2589  2495.06   46.082  2476.16   59.312  2523.85   73.197  135.755   1.6267  137.039   1.9886 -1.284821 2.569170 
1 1 1   15    8    0 o   79.571   0.8352  850.416   17.849  848.390   24.329  852.778   26.267   79.472   1.1398   79.676   1.2274 -0.2037354 1.675000 
1 1 1   15    8    1 o  199.249   1.5950  5334.02   85.359  5386.37  121.491  5282.97  119.955  200.178   2.2596  198.248   2.2528 1.930115 3.190736 
1 1 1   15    8    2 o   51.639   0.7031  358.137   9.7523  351.542   13.919  364.496   13.668   51.158   1.0130   52.093   0.9769 -0.9343491 1.407265 
1 1 1   15    8    3 o  259.356   2.0369  9040.35  141.890  9023.82  200.490  9056.94  200.836  259.020   2.8818  259.495   2.8815 -0.4748535 4.075291 
1 1 1   15    8    4 o  230.745   1.8255  7154.77  113.135  7199.46  160.632  7110.79  159.370  231.392   2.5846  229.963   2.5802 1.428894 3.652058 
1 1 1   15    8    5 o  138.524   1.1656  2577.65   43.369  2602.92   61.675  2552.93   60.996  139.184   1.6498  137.840   1.6475 1.342972 2.331556 
1 1 1   15    8    6 o  124.153   1.0694  2070.48   35.659  2073.78   50.481  2067.19   50.378  124.238   1.5128  124.040   1.5121 0.1973801 2.138947 
1 1 1   15    8    7 o  134.876   1.2486  2443.79   45.232  2446.54   58.546  2439.73   71.242  134.937   1.6154  134.732   1.9687 0.2049103 2.546580 
1 1 1   15    8    8 o  191.697   1.5415  4937.49   79.368  4950.94  112.407  4924.12  112.080  191.911   2.1807  191.391   2.1803 0.5205383 3.083705 
1 1 1   15    8    9 o  105.620   0.9936  1498.47   28.187  1505.55   38.403  1490.20   41.502  105.860   1.3506  105.315   1.4672 0.5447845 1.994225 
1 1 1   15    8   10 o   50.476   0.7840  342.206   10.629  329.208   16.856  350.786   13.695   49.502   1.2678   51.102   0.9978 -1.600079 1.613315 
1 1 1   15    8   11 o   50.148   0.7152  337.774   9.6337  350.141   13.781  325.954   13.472   51.055   1.0050   49.260   1.0183 1.795090 1.430660 
1 1 1   15    8   12 o  151.564   1.3775  3086.43   56.078  3207.47   90.511  3011.01   71.441  154.453   2.1818  149.678   1.7771 4.775497 2.813916 
1 1 1   15    8   13 o   21.016   1.0692   59.488   6.0158   52.003   8.9166   65.742   8.1501   19.596   1.7113   22.077   1.3814 -2.480612 2.199270 
1 1 1   15    8   14 o  165.106   1.3538  3662.74   60.035  3666.83   84.897  3658.65   84.907  165.156   1.9138  164.971   1.9162 0.1846924 2.708256 
1 1 1   15    8   15 o  104.318   0.9500  1461.82   26.617  1453.30   37.464  1470.51   37.822  103.999   1.3412  104.613   1.3461 -0.6138611 1.900201 
1 1 1   15    8   16 o  147.854   1.2885  2937.38   51.168  2988.54   70.051  2878.86   74.918  149.103   1.7492  146.328   1.9062 2.774979 2.587132 
1 1 1   15    8   17 o   92.800   1.0763  1157.00   26.827  1141.91   42.786  1166.78   34.437   92.164   1.7284   93.180   1.3760 -1.015999 2.209224 
1 1 1   15    8   18 o   77.221   0.8083  801.022   16.764  775.926   23.271  828.097   24.170   75.993   1.1401   78.506   1.1463 -2.513008 1.616726 
1 1 1   15    8   19 o  109.088   1.0268  1598.85   30.086  1607.42   44.636  1591.72   40.729  109.352   1.5197  108.825   1.3934 0.5269547 2.061847 
1 1 1   15    8   20 o   95.598   0.9411  1227.83   24.165  1192.87   35.178  1259.06   33.252   94.205   1.3903   96.790   1.2791 -2.584770 1.889174 
1 1 1   15    8   21 o  101.487   0.9400  1383.81   25.622  1383.79   39.400  1383.82   33.727  101.456   1.4459  101.471   1.2375 -0.1539612E-01 1.903135 
1 1 1   15    8   22 o   17.840   1.2137   42.972   5.7807   34.489   7.5577   54.933   8.9740   15.910   1.8003   20.140   1.6741 -4.230203 2.458376 
1 1 1   15    8   23 o   56.081   0.7417  422.508   11.171  411.481   16.787  431.274   14.967   55.332   1.1295   56.653   0.9836 -1.320354 1.497776 
1 1 1   15    8   24 o   21.428   0.9954   61.703   5.7291   55.181   8.1977   67.931   8.0100   20.198   1.5223   22.438   1.3351 -2.239876 2.024815 
1 1 1   15    8   25 o   50.979   0.7682  349.160   10.519  364.034   15.596  336.747   14.248   52.042   1.1158   50.055   1.0597 1.986301 1.538813 
1 1 1   15    8   26 f   91.010   1.0630  1113.30   25.985  1118.65   41.931  1109.96   33.110   91.167   1.7124   90.850   1.3569 0.3173599 2.184803 
1 1 1   15    8   27 o   65.375   0.8245  574.271   14.478  581.834   20.465  566.693   20.484   65.787   1.1582   64.924   1.1747 0.8626175 1.649650 
1 1 1   15    8   28 o   30.672   0.8198  126.416   6.7536  130.334   9.0839  121.573   10.098   31.137   1.0862   30.068   1.2504 1.069626 1.656314 
1 1 1   15    8   29 o   66.085   0.7742  586.829   13.742  587.899   19.191  585.703   19.685   66.128   1.0805   66.003   1.1104 0.1256027 1.549360 
1 1 1   15    8   30 o  105.993   0.9742  1510.18   27.735  1486.76   38.725  1534.84   39.741  105.118   1.3716  106.803   1.3854 -1.684357 1.949476 
1 1 1   15    8   31 o   82.294   0.8452  910.218   18.683  886.427   25.927  935.913   26.945   81.180   1.1891   83.414   1.2027 -2.233727 1.691247 
1 1 1   15    8   32 o   54.388   0.7905  397.559   11.548  381.393   15.086  420.436   17.947   53.255   1.0547   55.903   1.1953 -2.648479 1.594085 
1 1 1   15    8   33 o   52.274   0.7894  367.286   11.083  376.016   14.789  356.102   16.739   52.874   1.0414   51.441   1.2115 1.432858 1.597602 
1 1 1   15    8   34 o   57.991   1.1293  452.526   17.590  452.936   21.056  451.580   32.002   57.993   1.3518   57.797   2.0615 0.1951523 2.465152 
1 1 1   15    8   35 o   38.393   0.8527  198.203   8.7932  194.808   11.201  203.655   14.195   38.048   1.0961   38.881   1.3593 -0.8329353 1.746158 
1 1 1   15    8   36 o   60.002   0.8265  484.109   13.320  488.980   17.542  477.477   20.469   60.276   1.0836   59.537   1.2800 0.7387428 1.677086 
1 1 1   15    8   37 o   18.088   1.3327   44.331   6.4291   54.544   8.3435   29.404   10.087   20.045   1.5620   14.470   2.6945 5.575215 3.114534 
1 1 1   15    8   38 o   83.697   0.9055  942.359   20.355  949.803   27.534  933.388   30.228   83.968   1.2209   83.210   1.3525 0.7579575 1.822033 
1 1 1   15    8   39 o   55.986   0.7930  421.520   11.924  411.078   16.399  433.235   17.370   55.252   1.1050   56.717   1.1402 -1.464588 1.587848 
1 1 1   15    8   40 o   38.570   0.8380  200.108   8.6814  194.898   11.845  206.153   12.760   38.036   1.1595   39.112   1.2146 -1.076878 1.679226 
1 1 1   15    8   41 o   40.232   0.7849  217.706   8.4811  221.389   11.151  212.651   13.063   40.548   1.0238   39.718   1.2246 0.8308640 1.596180 
1 1 1   15    8   42 f   15.299   1.7255   32.082   6.9665   25.449   9.9188   38.539   9.7868   13.375   2.8483   16.683   2.2408 -3.307910 3.624090 
1 1 1   15    8   43 o   52.477   0.8998  370.730   12.683  352.223   16.218  399.867   20.350   51.106   1.1815   54.408   1.3925 -3.302601 1.826217 
1 1 1   15    8   44 o   12.251   1.8029   20.789   5.7550   23.567   7.3960   16.526   9.1623   12.974   2.2010   10.781   3.0354 2.193446 3.749387 
1 1 1   15    8   45 o   7.3647   2.6723   6.2315   6.8204   3.8169   8.9040   9.6598   10.609   7.3631   2.9541   9.1179   3.3292 -1.754747 4.450829 
1 1 1   15    8   46 o   23.079   1.2788   72.158   7.8962   71.584   11.344   72.697   10.997   22.875   1.8626   23.070   1.7888 -0.1945477 2.582439 
1 1 1   15    8   47 o   16.237   1.6591   36.113   7.1339   39.999   9.5824   31.282   10.685   16.991   2.1477   14.835   2.7840 2.156522 3.516125 
1 1 1   15    8   48 o   36.006   0.9354  174.659   9.0461  179.434   12.448  169.315   13.169   36.446   1.2716   35.384   1.3856 1.061954 1.880690 
1 1 1   15    8   49 o   33.243   0.9961  148.976   8.8940  162.259   12.263  134.234   12.919   34.644   1.3179   31.474   1.5282 3.169544 2.017961 
1 1 1   15    8   50 o   18.986   1.8106   49.506   9.1209   53.514   11.655   43.172   14.651   19.632   2.2509   17.289   3.2749 2.343428 3.973890 
1 1 1   15    8   51 o   34.067   1.1250  156.806   10.293  166.732   14.336  146.245   14.789   35.040   1.5233   32.734   1.6878 2.305988 2.273537 
1 1 1   15    8   52 o   12.641   2.8786   23.280   9.5549   12.977   15.349   29.799   12.209   10.505   3.9719   14.216   3.2661 -3.711085 5.142343 
1 1 1   15    8   53 o   20.987   1.8750   60.963   10.458   65.515   13.593   54.361   16.369   21.570   2.3863   19.232   3.2871 2.338039 4.061911 
1 1 1   15    8   54 o   12.538   3.6377   23.911   12.969   30.135   17.708   16.711   19.047   13.874   4.3038   11.458   4.4024 2.415901 6.156577 
1 1 1   15    8   55 o   10.667   3.6836   16.450   12.825   1.3296   17.895   32.419   18.390   8.9964   3.9259   14.178   4.3839 -5.181973 5.884836 
1 1 1   15    8   56 o   6.0702   2.8575 -10.6160   12.002   3.2917   17.330 -23.4377   16.639   9.0299   3.9023   6.3910   3.1010 2.638905 4.984375 
1 1 1   15    9  -55 o   7.3804   3.4527 -11.8525   17.058   0.0000   0.0000 -11.8525   17.058  ?   ?    7.3804   3.4527 0.000000 3.452668 
1 1 1   15    9  -54 o   16.061   4.1748   41.285   18.176   0.0000   0.0000   41.285   18.176  ?   ?    16.061   4.1748 0.000000 4.174803 
1 1 1   15    9  -53 o   14.645   3.1805   31.998   12.152   34.041   17.112   29.920   17.261   14.736   4.1479   13.848   4.2414 0.8876629 5.932498 
1 1 1   15    9  -52 o   31.156   1.8329  133.629   15.271  127.977   21.849  139.026   21.351   30.041   2.7379   31.427   2.5515 -1.385801 3.742468 
1 1 1   15    9  -51 o   9.9572   3.4469   13.235   11.233   25.302   16.198   2.0573   15.590   13.076   4.1258   8.7954   3.7491 4.280912 5.574746 
1 1 1   15    9  -50 o   19.970   1.9186   54.973   10.164   62.430   16.603   50.502   12.855   20.914   3.0450   18.931   2.5967 1.983170 4.001828 
1 1 1   15    9  -49 o   39.574   0.8615  210.983   9.1576  220.824   11.883  196.594   14.369   40.447   1.0939   38.101   1.4041 2.345955 1.779898 
1 1 1   15    9  -48 o   40.685   0.8246  222.888   9.0108  236.480   12.303  207.160   13.234   41.865   1.0941   39.155   1.2584 2.710590 1.667540 
1 1 1   15    9  -47 o   30.973   0.8831  129.203   7.3467  134.900   9.7443  121.698   11.183   31.617   1.1475   29.996   1.3881 1.620649 1.800953 
1 1 1   15    9  -46 o   11.072   1.8191   17.082   5.2216   11.594   6.5185   26.910   8.7228   9.0607   2.5635   13.814   2.4402 -4.753258 3.539210 
1 1 1   15    9  -45 o   4.8705   2.0461   0.4891   4.5330   2.2554   5.3834  -3.8145   8.4032   5.7412   2.2992   5.7640   2.5923 -0.2279902E-01 3.465070 
1 1 1   15    9  -44 o   10.163   2.6245   14.732   7.2142   18.891   10.829   11.415   9.6730   11.502   3.3205   9.3794   3.2006 2.122523 4.611851 
1 1 1   15    9  -43 o   39.021   1.0344  205.211   10.842  204.307   16.411  205.911   14.442   38.846   1.5729   39.035   1.3775 -0.1890984 2.090793 
1 1 1   15    9  -42 o   31.753   1.2675  136.070   10.810  147.078   17.824  129.665   13.596   32.826   2.0316   30.903   1.6440 1.923626 2.613437 
1 1 1   15    9  -41 f   46.219   0.9204  287.558   11.425  285.944   22.317  288.131   13.300   45.933   1.8089   46.245   1.0708 -0.3118706 2.102069 
1 1 1   15    9  -40 o   50.143   0.9130  338.383   12.297  343.307   19.755  335.269   15.711   50.422   1.4587   49.877   1.1728 0.5455971 1.871699 
1 1 1   15    9  -39 o   9.2640   2.5243   12.081   6.4522   6.4324   11.084   14.976   7.9352   8.5672   3.3399   10.295   2.7970 -1.727361 4.356381 
1 1 1   15    9  -38 o   22.915   1.1366   70.726   6.9958   86.950   12.639   63.560   8.3999   25.277   1.8750   21.656   1.4526 3.621622 2.371834 
1 1 1   15    9  -37 o   32.872   0.9365  145.384   8.2683  166.351   14.484  135.249   10.070   35.107   1.5361   31.687   1.1832 3.419193 1.938936 
1 1 1   15    9  -36 o   26.866   1.1314   97.186   8.1642   78.410   20.797  100.606   8.8768   23.673   3.3657   27.330   1.2093 -3.657175 3.576329 
1 1 1   15    9  -35 o   68.559   0.9313  632.278   17.149  631.384   31.580  632.652   20.422   68.374   1.7196   68.555   1.1091 -0.1811905 2.046255 
1 1 1   15    9  -34 o   62.829   0.8677  530.831   14.643  510.040   23.586  543.870   18.678   61.516   1.4275   63.571   1.0939 -2.054550 1.798469 
1 1 1   15    9  -33 o   10.478   2.0448   15.349   5.5483   14.097   10.032   15.901   6.6594   10.238   3.2487   10.625   2.3912 -0.3870630 4.033893 
1 1 1   15    9  -32 o   69.659   0.9308  652.469   17.415  653.996   26.721  651.341   22.961   69.681   1.4277   69.566   1.2289 0.1148376 1.883749 
1 1 1   15    9  -31 o   23.069   1.0812   71.579   6.6991   76.437   11.519   69.096   8.2348   23.737   1.8207   22.615   1.3621 1.122566 2.273773 
1 1 1   15    9  -30 f   56.031   0.8675  421.989   13.055  445.469   20.982  407.158   16.676   57.532   1.3578   55.021   1.1284 2.511257 1.765510 
1 1 1   15    9  -29 o   45.501   0.9787  278.321   11.961  273.169   16.583  283.909   17.269   45.056   1.3703   45.931   1.3998 -0.8751640 1.958887 
1 1 1   15    9  -28 o   91.055   1.0275  1114.59   25.130  1146.74   45.015  1100.03   30.290   92.258   1.8166   90.436   1.2470 1.822151 2.203411 
1 1 1   15    9  -27 o   24.131   0.8640   78.257   5.6001   70.210   8.2008   85.288   7.6658   22.807   1.3447   25.186   1.1332 -2.379343 1.758505 
1 1 1   15    9  -26 o   88.992   1.0063  1064.48   24.052  1056.40   32.083  1074.84   36.343   88.624   1.3478   89.377   1.5139 -0.7523270 2.026964 
1 1 1   15    9  -25 o  135.439   1.4173  2467.38   51.558  2462.53   65.177  2475.48   84.279  135.241   1.7943  135.481   2.3160 -0.2405548 2.929780 
1 1 1   15    9  -24 o   79.800   1.0033  855.846   21.505  857.170   34.733  855.023   27.386   79.814   1.6202   79.743   1.2786 0.7054901E-01 2.063969 
1 1 1   15    9  -23 o   45.889   0.7892  282.928   9.7273  292.986   13.734  272.802   13.780   46.689   1.0952   45.050   1.1388 1.638447 1.579957 
1 1 1   15    9  -22 o   93.120   0.9265  1165.19   23.173  1182.32   34.772  1151.50   31.081   93.771   1.3806   92.551   1.2503 1.220016 1.862619 
1 1 1   15    9  -21 o  145.946   1.2775  2863.33   50.077  2766.83   72.925  2949.44   68.886  143.381   1.8936  148.063   1.7322 -4.682022 2.566376 
1 1 1   15    9  -20 o   74.548   0.7831  746.585   15.680  757.084   22.162  736.062   22.188   75.058   1.0993   74.007   1.1162 1.050156 1.566675 
1 1 1   15    9  -19 o   56.373   0.7986  426.922   12.092  419.873   16.056  436.159   18.380   55.899   1.0694   56.968   1.2012 -1.069412 1.608263 
1 1 1   15    9  -18 o  113.306   1.0952  1725.10   33.329  1684.64   51.710  1753.85   43.591  111.924   1.7201  114.225   1.4209 -2.301117 2.231058 
1 1 1   15    9  -17 o  103.479   1.0290  1438.67   28.599  1430.85   44.723  1444.08   37.199  103.163   1.6140  103.657   1.3361 -0.4942322 2.095296 
1 1 1   15    9  -16 o  134.439   1.1401  2428.48   41.167  2422.55   58.047  2434.49   58.391  134.240   1.6099  134.570   1.6155 -0.3298798 2.280731 
1 1 1   15    9  -15 o   23.293   0.8190   72.881   5.1238   73.227   6.8616   72.445   7.7037   23.346   1.0943   23.186   1.2415 0.1595631 1.654928 
1 1 1   15    9  -14 o   62.083   0.9294  517.761   15.498  496.553   25.637  529.974   19.456   60.781   1.5704   62.806   1.1533 -2.024342 1.948427 
1 1 1   15    9  -13 o   70.724   0.8018  671.862   15.230  692.975   20.712  647.005   22.473   71.820   1.0737   69.394   1.2057 2.426353 1.614512 
1 1 1   15    9  -12 o   80.186   0.9898  863.748   21.317  864.359   26.966  862.730   34.806   80.207   1.2517   80.119   1.6174 0.8823395E-01 2.045229 
1 1 1   15    9  -11 o   97.279   0.9870  1271.23   25.789  1284.28   40.795  1262.55   33.282   97.757   1.5537   96.937   1.2783 0.8197861 2.011961 
1 1 1   15    9  -10 o  153.256   1.3236  3155.76   54.485  3172.66   74.069  3135.83   80.429  153.635   1.7950  152.728   1.9607 0.9073334 2.658204 
1 1 1   15    9   -9 o   89.968   0.9407  1087.26   22.731  1071.60   31.949  1103.32   32.347   89.307   1.3319   90.619   1.3290 -1.312370 1.881546 
1 1 1   15    9   -8 o   36.844   0.8445  182.335   8.3570  183.780   15.061  181.693   10.045   36.982   1.5163   36.777   1.0169 0.2047615 1.825701 
1 1 1   15    9   -7 o   76.378   0.8620  783.567   17.683  781.535   28.063  784.906   22.773   76.268   1.3699   76.439   1.1092 -0.1702805 1.762692 
1 1 1   15    9   -6 o   85.716   1.0277  986.939   23.660  987.455   34.006  986.455   32.941   85.727   1.4769   85.685   1.4313 0.4209900E-01 2.056684 
1 1 1   15    9   -5 o   95.662   0.9333  1229.22   23.981  1235.61   35.851  1224.05   32.262   95.899   1.3919   95.453   1.2584 0.4461060 1.876364 
1 1 1   15    9   -4 o  189.651   1.5267  4832.83   77.766  4895.27  110.889  4772.40  109.089  190.822   2.1636  188.413   2.1557 2.409241 3.054149 
1 1 1   15    9   -3 o  179.954   1.4568  4351.02   70.412  4376.08   99.905  4326.28   99.253  180.429   2.0615  179.400   2.0598 1.029465 2.914223 
1 1 1   15    9   -2 o   86.438   0.8770  1003.57   20.361  997.722   27.650  1010.50   30.096   86.180   1.1945   86.727   1.2920 -0.5476227 1.759569 
1 1 1   15    9   -1 o   86.889   0.9732  1014.10   22.712  1001.44   30.441  1030.00   34.111   86.338   1.3127   87.557   1.4505 -1.218979 1.956275 
1 1 1   15    9    0 o  133.712   1.2429  2401.86   44.637  2429.73   58.064  2361.58   69.795  134.470   1.6076  132.553   1.9604 1.917114 2.535277 
1 1 1   15    9    1 o  156.745   1.3496  3300.83   56.818  3312.70   77.159  3286.78   83.978  157.001   1.8297  156.374   1.9994 0.6265717 2.710309 
1 1 1   15    9    2 o  186.441   1.5035  4670.45   75.289  4720.08  107.197  4622.14  105.767  187.382   2.1299  185.428   2.1236 1.953629 3.007724 
1 1 1   15    9    3 o   63.906   0.8977  548.560   15.409  548.900   21.721  548.216   21.861   63.920   1.2652   63.880   1.2741 0.3999329E-01 1.795593 
1 1 1   15    9    4 o  201.423   1.6117  5451.73   87.196  5434.47  123.062  5469.12  123.567  201.045   2.2790  201.685   2.2811 -0.6396942 3.224426 
1 1 1   15    9    5 o  144.493   1.3222  2804.98   51.314  2852.21   66.971  2737.82   79.855  145.685   1.7115  142.710   2.0833 2.974380 2.696207 
1 1 1   15    9    6 o   29.329   0.9989  115.543   7.8686  106.762   11.668  122.867   10.656   28.145   1.5495   30.241   1.3119 -2.096472 2.030323 
1 1 1   15    9    7 o  148.462   1.2360  2961.11   49.286  2990.24   70.060  2932.58   69.346  149.163   1.7487  147.718   1.7478 1.444931 2.472427 
1 1 1   15    9    8 o   51.549   0.7442  356.918   10.304  342.721   15.114  369.249   14.085   50.509   1.1141   52.429   1.0002 -1.919960 1.497182 
1 1 1   15    9    9 o   52.964   0.7204  376.772   10.248  390.027   14.712  364.277   14.284   53.884   1.0165   52.075   1.0212 1.809185 1.440910 
1 1 1   15    9   10 o  112.368   0.9972  1696.15   30.097  1704.99   42.677  1687.40   42.451  112.645   1.4105  112.062   1.4104 0.5827637 1.994697 
1 1 1   15    9   11 o   62.722   0.8082  528.428   13.616  547.740   21.647  515.785   17.515   63.850   1.2622   61.963   1.0524 1.886211 1.643404 
1 1 1   15    9   12 o   61.541   0.7747  508.704   12.806  509.196   19.009  508.296   17.328   61.564   1.1496   61.511   1.0488 0.5237961E-01 1.556141 
1 1 1   15    9   13 o   80.692   0.8194  874.620   17.759  896.066   25.344  853.932   24.892   81.667   1.1554   79.724   1.1625 1.943352 1.638989 
1 1 1   15    9   14 o   87.678   0.8528  1032.65   20.082  1020.77   28.206  1044.86   28.599   87.162   1.2048   88.184   1.2075 -1.022552 1.705734 
1 1 1   15    9   15 o  106.761   0.9649  1531.21   27.668  1538.59   39.152  1523.84   39.106  107.000   1.3623  106.486   1.3673 0.5144043 1.930130 
1 1 1   15    9   16 o  124.073   1.0759  2068.30   35.854  2106.33   51.123  2031.49   50.299  125.180   1.5205  122.936   1.5233 2.243950 2.152297 
1 1 1   15    9   17 o  128.175   1.1044  2207.48   38.020  2214.99   53.798  2199.98   53.739  128.359   1.5604  127.923   1.5641 0.4360352 2.209348 
1 1 1   15    9   18 o   48.197   0.8882  312.072   11.498  308.140   14.657  318.362   18.539   47.886   1.1396   48.666   1.4183 -0.7796593 1.819404 
1 1 1   15    9   19 o   82.014   0.9567  903.724   21.074  915.668   28.186  888.583   31.735   82.539   1.2714   81.299   1.4533 1.240204 1.930945 
1 1 1   15    9   20 o   67.915   0.8076  619.655   14.731  618.022   21.704  621.049   20.058   67.811   1.1917   67.981   1.0985 -0.1699219 1.620747 
1 1 1   15    9   21 o   73.631   0.8579  728.417   16.967  721.989   21.868  738.140   26.895   73.295   1.1108   74.097   1.3514 -0.8020630 1.749319 
1 1 1   15    9   22 o   16.496   1.2394   36.789   5.4516   31.420   7.4279   43.058   8.0263   15.165   1.8627   17.809   1.6986 -2.643312 2.520902 
1 1 1   15    9   23 o   87.904   0.9918  1038.44   23.417  977.778   38.990  1072.66   29.287   85.241   1.7030   89.325   1.2207 -4.084114 2.095298 
1 1 1   15    9   24 o   36.484   0.8018  178.849   7.8575  185.367   11.935  173.863   10.439   37.132   1.1967   35.965   1.0806 1.167141 1.612400 
1 1 1   15    9   25 o   82.964   0.9165  924.982   20.423  912.176   31.631  934.137   26.745   82.349   1.4301   83.355   1.1946 -1.005737 1.863377 
1 1 1   15    9   26 o  109.948   1.0372  1624.90   30.630  1601.69   45.026  1644.89   41.789  109.101   1.5365  110.580   1.4070 -1.479271 2.083403 
1 1 1   15    9   27 o   8.6929   2.0641   10.597   4.7476   10.024   6.0185   11.540   7.7245   8.5336   2.4788   9.2393   2.8387 -0.7056742 3.768589 
1 1 1   15    9   28 o   56.426   0.7505  427.823   11.375  430.145   15.810  425.331   16.377   56.565   1.0406   56.245   1.0841 0.3199692 1.502718 
1 1 1   15    9   29 o   37.169   0.8057  185.661   8.0432  193.486   10.458  174.330   12.584   37.936   1.0264   35.997   1.3016 1.939083 1.657591 
1 1 1   15    9   30 f   47.980   0.7901  309.380   10.182  306.754   13.292  313.111   15.842   47.763   1.0361   48.244   1.2226 -0.4804688 1.602555 
1 1 1   15    9   31 o   51.477   0.7858  356.159   10.865  354.557   14.330  358.323   16.663   51.346   1.0391   51.606   1.2021 -0.2596931 1.588983 
1 1 1   15    9   32 o   29.228   0.8867  114.857   6.9611  110.682   8.9248  121.342   11.123   28.680   1.1586   30.017   1.3796 -1.337164 1.801588 
1 1 1   15    9   33 o   26.375   1.1105   93.610   7.8668   98.290   11.102   88.891   11.149   26.958   1.5396   25.621   1.6285 1.336945 2.241113 
1 1 1   15    9   34 o   41.925   0.7866  236.312   8.8578  238.360   12.008  233.867   13.119   42.087   1.0623   41.680   1.1719 0.4076080 1.581678 
1 1 1   15    9   35 o   42.942   0.7840  247.934   9.0428  251.770   12.302  243.425   13.337   43.252   1.0590   42.519   1.1679 0.7326126 1.576487 
1 1 1   15    9   36 o   34.955   0.8554  164.330   8.0307  163.801   10.710  165.010   12.137   34.878   1.1433   34.994   1.2914 -0.1157417 1.724732 
1 1 1   15    9   37 o   40.583   0.8552  221.530   9.3224  235.081   12.015  201.033   14.777   41.788   1.0705   38.607   1.4251 3.180916 1.782356 
1 1 1   15    9   38 o   21.608   1.1622   63.072   6.7201   67.200   8.2730   55.066   11.522   22.278   1.3895   20.028   2.1769 2.249815 2.582537 
1 1 1   15    9   39 o   35.599   0.8695  170.503   8.3134  174.128   10.979  165.632   12.727   35.953   1.1370   35.042   1.3522 0.9105721 1.766720 
1 1 1   15    9   40 o   48.074   0.8280  310.918   10.691  307.084   14.118  316.071   16.369   47.744   1.1009   48.414   1.2588 -0.6704369 1.672279 
1 1 1   15    9   41 f   18.899   1.2260   48.369   6.1899   47.298   7.7962   50.194   10.181   18.638   1.5721   19.123   2.0124 -0.4851723 2.553698 
1 1 1   15    9   42 o   52.461   0.9362  370.598   13.192  381.353   17.601  356.811   19.928   53.165   1.2326   51.381   1.4440 1.783443 1.898536 
1 1 1   15    9   43 o   42.540   0.8432  243.594   9.6347  242.635   13.062  244.739   14.269   42.414   1.1466   42.580   1.2477 -0.1665497 1.694499 
1 1 1   15    9   44 o   18.751   1.4342   47.831   7.1688   56.036   8.8743   32.420   12.162   20.267   1.6444   15.028   3.1155 5.239036 3.522822 
1 1 1   15    9   45 o   16.894   1.5806   39.004   7.0890   42.020   9.3391   34.903   10.889   17.447   2.0309   15.718   2.6752 1.729430 3.358764 
1 1 1   15    9   46 o   9.9570   2.4268   14.131   6.4310   16.568   8.6701   11.150   9.5886   10.761   2.9237   9.2879   3.1864 1.473118 4.324445 
1 1 1   15    9   47 o   23.719   1.1946   76.145   7.5860   76.309   10.291   75.950   11.226   23.667   1.6289   23.577   1.7861 0.8972168E-01 2.417278 
1 1 1   15    9   48 o   62.735   0.9001  530.211   15.166  525.150   22.299  534.568   20.688   62.318   1.3322   62.908   1.2244 -0.5899734 1.809408 
1 1 1   15    9   49 o   23.249   1.4028   73.456   8.7186   76.655   11.864   69.699   12.856   23.642   1.8839   22.463   2.1573 1.178650 2.864106 
1 1 1   15    9   50 o   40.768   1.1150  224.534   12.209  220.783   15.785  230.120   19.262   40.342   1.4568   41.097   1.7451 -0.7545166 2.273192 
1 1 1   15    9   51 o   10.231   2.9102   15.123   8.3776   0.3344   11.898   29.663   11.798   7.5603   3.2502   14.217   3.1703 -6.656657 4.540362 
1 1 1   15    9   52 o   11.599   2.7918   19.689   8.5924   24.871   11.521   13.194   12.898   12.917   3.3066   10.119   3.6744 2.798757 4.943147 
1 1 1   15    9   53 o   11.074   4.0055   16.822   15.306   10.377   18.170   32.570   28.402   10.365   4.1982   14.540   5.4224 -4.174122 6.857653 
1 1 1   15    9   54 o   9.2505   3.7009   8.5628   13.932   7.9124   17.117   9.8400   23.985   9.7254   4.0221   11.048   4.6774 -1.322481 6.168852 
1 1 1   15    9   55 o   10.328   3.6670   15.306   12.766   9.8903   18.120   20.643   17.988   10.066   4.1483   11.774   4.3295 -1.707367 5.996094 
1 1 1   15   10  -55 o   5.5663   2.8091 -57.2400   19.849   0.0000   0.0000 -57.2400   19.849  ?   ?    5.5663   2.8091 0.000000 2.809095 
1 1 1   15   10  -54 o   8.9723   3.8369   4.0974   16.425   0.0000   0.0000   4.0974   16.425  ?   ?    8.9723   3.8369 0.000000 3.836921 
1 1 1   15   10  -53 o   7.7604   3.5243  -5.7755   15.984   0.0000   0.0000  -5.7755   15.984  ?   ?    7.7604   3.5243 0.000000 3.524324 
1 1 1   15   10  -52 o   16.560   3.0306   40.349   12.983   60.837   19.414   23.773   17.463   20.017   3.7488   12.602   4.3003 7.414471 5.704943 
1 1 1   15   10  -51 o   28.416   1.9686  111.647   14.933   85.508   21.608  135.542   20.660   24.149   3.4276   31.061   2.4975 -6.911726 4.240999 
1 1 1   15   10  -50 o   19.141   2.3247   51.343   11.706   54.902   16.381   47.629   16.734   19.440   3.2522   17.933   3.5994 1.507589 4.850983 
1 1 1   15   10  -49 o   16.913   2.0935   39.780   9.3073   39.065   15.535   40.181   11.625   16.256   3.6475   16.829   2.6601 -0.5729885 4.514467 
1 1 1   15   10  -48 o   24.329   1.3773   80.388   8.9633   75.369   13.966   83.904   11.688   23.334   2.2565   24.769   1.7685 -1.434750 2.867000 
1 1 1   15   10  -47 o   34.541   1.0152  160.884   9.4189  149.556   15.435  167.605   11.889   33.128   1.7408   35.217   1.2569 -2.089142 2.147162 
1 1 1   15   10  -46 o   41.844   0.9759  235.990   10.968  219.960   18.961  244.051   13.446   40.235   1.7546   42.517   1.1774 -2.281864 2.112999 
1 1 1   15   10  -45 o   18.302   1.8604   46.021   9.0179   28.578   16.156   53.915   10.869   13.981   4.0612   19.773   2.0776 -5.791318 4.561809 
1 1 1   15   10  -44 o   21.539   1.5265   63.145   8.7740   62.935   13.636   63.293   11.462   21.288   2.4282   21.459   2.0121 -0.1708260 3.153523 
1 1 1   15   10  -43 o   35.934   1.0747  174.130   10.373  185.235   15.968  166.022   13.644   36.969   1.6081   35.029   1.4502 1.939743 2.165451 
1 1 1   15   10  -42 o   22.024   1.3952   65.830   8.2106   57.046   12.463   72.566   10.914   20.299   2.3279   23.056   1.7760 -2.756819 2.928035 
1 1 1   15   10  -41 f   48.840   0.9824  321.309   12.887  338.655   23.370  313.729   15.449   49.979   1.7409   48.225   1.1927 1.753510 2.110297 
1 1 1   15   10  -40 o   49.040   0.9209  323.766   12.130  302.735   23.121  331.752   14.248   47.253   1.8217   49.621   1.0690 -2.367191 2.112252 
1 1 1   15   10  -39 o   21.384   1.2722   61.888   7.2736   65.796   12.452   59.864   8.9615   21.900   2.1444   20.982   1.6023 0.9183273 2.676930 
1 1 1   15   10  -38 o   50.523   0.9153  343.518   12.421  368.187   19.753  327.387   15.974   52.232   1.4080   49.285   1.2067 2.946960 1.854376 
1 1 1   15   10  -37 o   28.934   1.0042  112.693   7.8038   94.416   13.101  122.745   9.7156   26.344   1.8635   30.182   1.1985 -3.837549 2.215610 
1 1 1   15   10  -36 o   27.875   1.0111  104.587   7.5703   97.371   13.167  108.150   9.2524   26.764   1.8429   28.332   1.2159 -1.567385 2.207841 
1 1 1   15   10  -35 o   20.348   1.3866   56.086   7.5329   17.440   19.456   62.901   8.1702   12.270   4.5040   21.550   1.4195 -9.280490 4.722373 
1 1 1   15   10  -34 o   63.790   0.9570  547.459   16.396  552.911   34.045  545.813   18.708   63.915   1.9832   63.676   1.0939 0.2392540 2.264858 
1 1 1   15   10  -33 o   17.029   1.3430   39.314   6.0930   60.992   10.700   28.911   7.4121   21.156   1.9033   14.493   1.9539 6.663025 2.727692 
1 1 1   15   10  -32 o   77.646   0.9119  810.807   19.017  832.083   30.872  797.797   24.141   78.571   1.4629   76.986   1.1675 1.585083 1.871662 
1 1 1   15   10  -31 o   25.720   1.0891   89.002   7.5239   79.505   12.223   94.796   9.5470   24.191   1.8963   26.497   1.3459 -2.306194 2.325385 
1 1 1   15   10  -30 o   67.300   0.9130  608.966   16.504  609.356   25.546  608.687   21.622   67.267   1.4139   67.256   1.1970 0.1049805E-01 1.852542 
1 1 1   15   10  -29 o   19.040   1.0770   48.909   5.4850   50.129   7.7064   47.657   7.8085   19.235   1.5036   18.745   1.5653 0.4902630 2.170481 
1 1 1   15   10  -28 o   38.574   0.8576  199.989   8.8855  201.992   12.753  198.100   12.387   38.749   1.2253   38.376   1.2018 0.3738594 1.716296 
1 1 1   15   10  -27 o   16.763   1.4281   38.090   6.3686   38.058   10.174   38.111   8.1666   16.626   2.3432   16.715   1.8501 -0.8893204E-01 2.985520 
1 1 1   15   10  -26 o   92.739   0.9785  1156.07   24.374  1133.61   34.118  1179.47   34.832   91.791   1.3839   93.629   1.3851 -1.838249 1.957926 
1 1 1   15   10  -25 o   37.817   0.7629  192.165   7.7493  213.674   11.713  175.420   10.334   39.867   1.0938   36.123   1.0651 3.743526 1.526767 
1 1 1   15   10  -24 o  108.654   1.1329  1587.18   33.062  1590.67   44.621  1582.92   49.233  108.726   1.5280  108.436   1.6904 0.2892990 2.278625 
1 1 1   15   10  -23 f   19.414   1.0327   50.802   5.3654   49.887   6.3954   52.976   9.8592   19.221   1.2455   19.745   1.8819 -0.5230331 2.256683 
1 1 1   15   10  -22 o   79.297   0.8077  844.869   17.203  807.202   23.736  886.555   24.970   77.490   1.1404   81.209   1.1448 -3.719276 1.615864 
1 1 1   15   10  -21 o   64.114   0.8104  552.296   13.956  546.316   19.614  558.427   19.861   63.751   1.1455   64.454   1.1473 -0.7026749 1.621201 
1 1 1   15   10  -20 o  139.217   1.1765  2605.23   43.990  2571.57   61.675  2640.09   62.763  138.251   1.6609  140.080   1.6682 -1.828720 2.354022 
1 1 1   15   10  -19 f   73.687   0.8548  729.529   16.918  736.013   23.931  723.052   23.920   73.997   1.2041   73.342   1.2143 0.6549835 1.710056 
1 1 1   15   10  -18 o  168.230   1.5063  3805.74   68.063  3794.80   87.798  3822.21  107.750  167.914   1.9467  168.428   2.3818 -0.5137482 3.076168 
1 1 1   15   10  -17 o   56.730   0.9290  432.405   14.155  418.760   18.132  453.698   22.650   55.819   1.2094   58.091   1.4516 -2.271870 1.889408 
1 1 1   15   10  -16 o  131.026   1.2932  2307.49   45.511  2311.65   67.994  2304.11   61.256  131.077   1.9313  130.886   1.7425 0.1913147 2.601190 
1 1 1   15   10  -15 o  195.741   1.9283  5154.31  101.379  5219.98  144.205  5090.14  142.552  196.815   2.7279  194.351   2.7308 2.463852 3.859915 
1 1 1   15   10  -14 o  140.788   1.5498  2664.67   58.604  2693.49  108.755  2652.88   69.568  141.372   2.8641  140.446   1.8442 0.9251404 3.406527 
1 1 1   15   10  -13 o  161.392   1.3859  3500.75   60.079  3513.70   81.641  3485.45   88.730  161.638   1.8805  160.966   2.0523 0.6726990 2.783567 
1 1 1   15   10  -12 o  256.708   2.0206  8863.52  139.319  8901.43  197.515  8825.97  196.543  257.058   2.8607  255.967   2.8588 1.091309 4.044312 
1 1 1   15   10  -11 o   53.784   0.7879  388.565   11.382  398.643   16.305  378.986   15.896   54.471   1.1144   53.111   1.1143 1.359951 1.575958 
1 1 1   15   10  -10 o   26.314   0.8108   93.011   5.7303   90.450   7.9685   95.753   8.2464   25.946   1.1434   26.696   1.1501 -0.7496281 1.621755 
1 1 1   15   10   -9 o   46.381   0.7401  288.944   9.2195  272.090   13.730  302.784   12.442   45.002   1.1359   47.475   0.9757 -2.473125 1.497427 
1 1 1   15   10   -8 o   95.272   0.9794  1219.32   25.061  1237.29   40.103  1207.81   32.101   95.949   1.5561   94.812   1.2606 1.137627 2.002633 
1 1 1   15   10   -7 o   91.822   1.0085  1132.63   24.873  1128.77   43.361  1134.52   30.365   91.637   1.7617   91.892   1.2303 -0.2549133 2.148782 
1 1 1   15   10   -6 o   84.843   0.8692  966.919   19.807  961.669   29.396  971.285   26.806   84.601   1.2936   85.027   1.1738 -0.4255600 1.746798 
1 1 1   15   10   -5 f   58.899   0.7254  465.957   11.475  450.065   16.284  481.634   16.174   57.881   1.0474   59.878   1.0057 -1.996304 1.452065 
1 1 1   15   10   -4 o   35.370   0.7758  168.033   7.3697  160.160   10.098  177.004   10.779   34.528   1.0889   36.298   1.1056 -1.770168 1.551823 
1 1 1   15   10   -3 o  106.755   0.9605  1530.89   27.542  1547.23   39.238  1515.02   38.669  107.309   1.3614  106.186   1.3558 1.122841 1.921352 
1 1 1   15   10   -2 o   80.731   0.9447  875.487   20.485  928.249   31.801  838.063   26.783   83.116   1.4245   78.979   1.2625 4.136154 1.903479 
1 1 1   15   10   -1 o   77.594   0.7986  808.715   16.644  804.279   23.636  813.078   23.442   77.374   1.1373   77.797   1.1219 -0.4224396 1.597522 
1 1 1   15   10    0 o  117.680   1.0764  1860.37   34.023  1884.56   46.442  1832.34   49.983  118.427   1.4601  116.768   1.5937 1.658600 2.161395 
1 1 1   15   10    1 o   66.483   1.0669  593.768   19.051  583.893   20.933  641.400   45.973   65.926   1.1822   69.052   2.4788 -3.126320 2.746226 
1 1 1   15   10    2 o  225.334   1.8668  6825.31  112.981  6729.84  151.660  6944.36  169.360  223.665   2.5245  227.161   2.7758 -3.496002 3.752094 
1 1 1   15   10    3 o  193.561   1.5561  5034.83   80.901  5081.36  115.045  4989.31  113.788  194.389   2.2035  192.621   2.1994 1.768402 3.113287 
1 1 1   15   10    4 o   95.527   0.9780  1225.84   25.093  1244.98   32.753  1198.64   39.043   96.262   1.2668   94.443   1.5391 1.818459 1.993405 
1 1 1   15   10    5 f  120.652   1.1499  1955.66   37.264  1937.19   52.443  1974.49   52.960  120.059   1.6263  121.209   1.6268 -1.150284 2.300257 
1 1 1   15   10    6 o  136.353   1.1534  2497.82   42.242  2469.89   59.391  2526.41   60.093  135.563   1.6311  137.105   1.6319 -1.542343 2.307276 
1 1 1   15   10    7 o   68.971   0.7975  638.974   14.775  644.726   22.178  634.384   19.811   69.273   1.1920   68.718   1.0733 0.5550766 1.604003 
1 1 1   15   10    8 o  201.297   1.6128  5446.11   87.199  5443.85  123.290  5448.36  123.347  201.174   2.2817  201.258   2.2818 -0.8319092E-01 3.226922 
1 1 1   15   10    9 o   39.216   0.7785  206.576   8.1997  199.745   12.409  211.871   10.925   38.557   1.1982   39.713   1.0242 -1.155582 1.576282 
1 1 1   15   10   10 o  110.231   1.0769  1632.44   31.883  1581.59   49.494  1668.52   41.683  108.469   1.6988  111.427   1.3928 -2.958694 2.196781 
1 1 1   15   10   11 o   71.317   0.7732  683.186   14.811  693.055   21.074  673.553   20.821   71.823   1.0924   70.805   1.0948 1.017799 1.546607 
1 1 1   15   10   12 o   27.608   0.8238  102.387   6.1088  113.688   8.5306   90.491   8.7521   29.089   1.0918   25.950   1.2557 3.138647 1.663977 
1 1 1   15   10   13 o   69.594   0.7658  650.594   14.315  678.036   20.542  624.690   19.958   71.039   1.0766   68.186   1.0898 2.852188 1.531881 
1 1 1   15   10   14 o   66.573   0.7868  595.353   14.068  604.830   20.893  587.492   19.028   67.090   1.1595   66.125   1.0714 0.9658051 1.578674 
1 1 1   15   10   15 o   75.126   0.9232  758.250   18.629  752.085   27.956  763.175   24.986   74.801   1.3915   75.358   1.2344 -0.5566635 1.860116 
1 1 1   15   10   16 o   23.144   0.9248   71.965   5.7491   75.157   7.9292   68.427   8.3477   23.614   1.2547   22.519   1.3869 1.094900 1.870189 
1 1 1   15   10   17 o   94.343   0.8930  1195.83   22.629  1185.68   31.790  1206.25   32.219   93.922   1.2602   94.733   1.2663 -0.8111801 1.786467 
1 1 1   15   10   18 o  138.552   1.2847  2580.49   47.808  2618.82   75.967  2555.36   61.518  139.478   2.0278  137.831   1.6617 1.646591 2.621724 
1 1 1   15   10   19 f   59.753   0.9534  479.758   15.301  470.838   19.939  492.536   23.865   59.182   1.2543   60.520   1.4682 -1.337360 1.931023 
1 1 1   15   10   20 o  117.979   1.5914  1872.44   50.427  1841.73   78.410  1894.10   65.853  116.864   2.4980  118.591   2.0674 -1.727402 3.242597 
1 1 1   15   10   21 o   47.476   0.8271  302.851   10.547  288.825   15.024  316.476   14.808   46.351   1.2068   48.522   1.1363 -2.170914 1.657557 
1 1 1   15   10   22 o   28.367   0.8423  108.122   6.4174  105.721   8.6807  111.017   9.5297   28.043   1.1525   28.735   1.2347 -0.6917267 1.689020 
1 1 1   15   10   23 f   94.218   0.8997  1192.91   22.767  1196.93   32.097  1188.84   32.300   94.346   1.2666   94.026   1.2790 0.3207397 1.800031 
1 1 1   15   10   24 o   71.273   0.8602  682.630   16.468  689.606   25.533  677.661   21.548   71.605   1.3276   70.997   1.1300 0.6082993 1.743405 
1 1 1   15   10   25 o   91.856   0.9295  1134.02   22.933  1114.54   33.538  1151.12   31.429   91.023   1.3718   92.516   1.2648 -1.493248 1.865904 
1 1 1   15   10   26 o  103.472   0.9611  1439.10   26.711  1450.52   41.071  1430.72   35.163  103.819   1.4729  103.136   1.2694 0.6833115 1.944382 
1 1 1   15   10   27 o   18.907   1.1681   48.261   5.9028   49.631   7.6670   46.267   9.2495   19.143   1.5033   18.431   1.8955 0.7123871 2.419230 
1 1 1   15   10   28 o   29.558   0.9308  117.446   7.3900  120.224   9.6012  113.409   11.576   29.896   1.1957   28.985   1.4919 0.9109230 1.911958 
1 1 1   15   10   29 o   26.387   0.9188   93.605   6.5117   95.847   8.3088   90.036   10.484   26.693   1.1589   25.811   1.5189 0.8815937 1.910543 
1 1 1   15   10   30 o   39.508   0.7981  209.810   8.4693  207.028   10.929  213.993   13.401   39.234   1.0371   39.875   1.2513 -0.6409760 1.625170 
1 1 1   15   10   31 o   10.137   2.1151   14.409   5.5727   14.827   7.4423   13.876   8.4078   10.262   2.6733   10.011   2.9361 0.2519045 3.970826 
1 1 1   15   10   32 o   51.413   0.8416  355.409   11.622  362.715   15.983  347.212   16.930   51.912   1.1463   50.781   1.2413 1.131302 1.689645 
1 1 1   15   10   33 o   71.224   0.8108  682.083   15.511  672.033   21.446  693.105   22.459   70.656   1.1301   71.750   1.1654 -1.093811 1.623351 
1 1 1   15   10   34 o   61.890   0.7825  515.032   13.008  501.578   17.831  530.340   19.020   61.042   1.0876   62.762   1.1283 -1.720146 1.567112 
1 1 1   15   10   35 o   32.052   0.8847  138.193   7.6162  141.415   10.147  134.036   11.526   32.404   1.1659   31.531   1.3610 0.8729820 1.792079 
1 1 1   15   10   36 o   29.900   0.8769  120.266   7.0420  118.861   9.2974  122.157   10.785   29.706   1.1653   30.101   1.3340 -0.3950062 1.771282 
1 1 1   15   10   37 o   39.944   0.8051  214.601   8.6382  217.048   11.541  211.484   13.026   40.148   1.0702   39.614   1.2242 0.5342827 1.626089 
1 1 1   15   10   38 o   44.330   0.8520  264.386   10.144  273.245   14.604  256.128   14.101   45.026   1.2076   43.593   1.2043 1.432678 1.705484 
1 1 1   15   10   39 o   38.945   0.8432  204.070   8.8202  213.831   10.951  186.047   14.880   39.847   1.0232   37.110   1.4929 2.737038 1.809897 
1 1 1   15   10   40 o   7.9627   2.3469   8.7919   5.3601   7.8332   6.0585   12.246   11.500   7.7158   2.5312   9.9143   3.4845 -2.198440 4.306859 
1 1 1   15   10   41 f   29.081   1.0714  113.987   8.3690  114.065   9.5461  113.725   17.398   29.076   1.2224   28.783   2.2688 0.2923489 2.577177 
1 1 1   15   10   42 o   23.101   1.0741   71.947   6.6643   64.629   8.0050   88.474   12.029   21.825   1.3725   25.473   1.7692 -3.647539 2.239179 
1 1 1   15   10   43 o   34.407   0.9243  159.470   8.5422  148.967   11.030  175.206   13.502   33.215   1.2364   35.994   1.3966 -2.779655 1.865257 
1 1 1   15   10   44 o   6.9121   2.5424   5.2987   6.2039   1.0375   7.9991   11.731   9.8277   6.4653   2.7172   9.4765   3.2261 -3.011163 4.217945 
1 1 1   15   10   45 o   30.453   1.0492  125.060   8.5815  127.584   12.123  122.525   12.149   30.698   1.4703   30.039   1.5106 0.6582565 2.108050 
1 1 1   15   10   46 o   7.4506   2.6879   6.5034   6.8862   6.4956   9.3936   6.5125   10.125   8.0877   3.0954   8.2772   3.2017 -0.1894636 4.453332 
1 1 1   15   10   47 o   28.271   1.0678  107.822   8.1084  112.879   10.557  100.546   12.663   28.886   1.3607   27.144   1.7461 1.741701 2.213645 
1 1 1   15   10   48 o   44.265   0.8804  264.011   10.467  275.248   14.337  251.186   15.317   45.136   1.1826   43.086   1.3235 2.050598 1.774913 
1 1 1   15   10   49 o   34.092   1.1907  157.150   10.903  146.889   15.769  166.549   15.092   32.772   1.7983   35.000   1.6054 -2.228363 2.410672 
1 1 1   15   10   50 o   24.179   1.3565   79.556   8.7738   80.501   11.673   78.330   13.302   24.201   1.8089   23.775   2.1048 0.4262161 2.775301 
1 1 1   15   10   51 o   9.0781   3.2367   10.592   9.9557  -3.7020   17.491   17.442   12.109   8.4841   3.7833   11.008   3.5769 -2.524331 5.206466 
1 1 1   15   10   52 o   7.2298   3.2046  -2.3552   12.360   0.5893   18.492  -4.7334   16.618   9.1315   3.9877   8.0938   3.6423 1.037693 5.400752 
1 1 1   15   10   53 o   13.770   3.4570   29.090   12.767   42.810   18.274   16.009   17.844   16.380   4.1491   11.101   4.2621 5.278372 5.948114 
1 1 1   15   10   54 o   20.587   2.5306   61.247   13.698   49.920   20.031   71.196   18.773   17.444   4.3022   21.694   3.3281 -4.249935 5.439190 
1 1 1   15   10   55 o   17.891   3.5015   50.060   16.224   53.622   19.890   42.980   28.043   17.994   4.1931   15.214   5.4314 2.780519 6.861611 
1 1 1   15   11  -54 o   13.602   4.8917   31.730   22.786   0.0000   0.0000   31.730   22.786  ?   ?    13.602   4.8917 0.000000 4.891699 
1 1 1   15   11  -53 o   7.4284   3.4571 -10.4658   16.750   0.0000   0.0000 -10.4658   16.750  ?   ?    7.4284   3.4571 0.000000 3.457145 
1 1 1   15   11  -52 o   12.010   3.8486   22.053   14.053   56.870   25.303   6.5227   16.899   18.320   5.0018   9.4869   3.9659 8.833488 6.383231 
1 1 1   15   11  -51 o   20.238   2.5005   58.327   13.303   60.497   19.386   56.397   18.288   19.951   3.7556   19.301   3.6616 0.6494560 5.245156 
1 1 1   15   11  -50 o   37.747   1.6585  194.779   16.815  201.921   24.254  188.171   23.332   38.009   2.3879   36.692   2.3803 1.316978 3.371637 
1 1 1   15   11  -49 o   21.009   2.1688   61.423   12.062   43.749   16.914   79.716   17.207   17.089   3.7847   23.729   2.7509 -6.639648 4.678801 
1 1 1   15   11  -48 o   35.630   1.2713  171.830   12.166  171.974   21.008  171.757   14.924   35.295   2.2275   35.551   1.5629 -0.2561340 2.721074 
1 1 1   15   11  -47 o   15.462   1.9679   33.148   7.9873   37.057   12.174   30.193   10.583   16.087   2.9253   14.517   2.8159 1.570349 4.060410 
1 1 1   15   11  -46 o   19.011   1.6877   49.475   8.5284   50.328   12.962   48.824   11.325   18.931   2.6193   18.735   2.2988 0.1963520 3.485037 
1 1 1   15   11  -45 o   26.247   1.3007   93.130   9.1698   87.901   14.516   96.602   11.829   25.266   2.1597   26.626   1.6624 -1.359482 2.725375 
1 1 1   15   11  -44 o   16.917   1.8172   39.355   8.1276   49.029   12.304   31.866   10.826   18.725   2.5096   14.955   2.7979 3.770282 3.758507 
1 1 1   15   11  -43 o   36.144   1.1357  176.301   11.025  179.091   17.337  174.407   14.286   36.300   1.7782   35.887   1.4821 0.4125671 2.314875 
1 1 1   15   11  -42 o   22.517   1.3842   68.821   8.3306   56.612   12.733   77.957   11.015   20.187   2.3952   23.902   1.7274 -3.714951 2.953094 
1 1 1   15   11  -41 o   11.624   2.2266   19.049   6.6982   27.614   10.974   13.965   8.4560   13.865   3.0315   9.9621   2.9508 3.902436 4.230484 
1 1 1   15   11  -40 o   45.912   1.0182  284.046   12.556  283.027   21.842  284.548   15.344   45.672   1.7805   45.915   1.2442 -0.2428513 2.172165 
1 1 1   15   11  -39 o   39.596   0.9697  211.144   10.313  193.184   19.692  217.932   12.106   37.664   1.9533   40.208   1.1210 -2.544010 2.252102 
1 1 1   15   11  -38 o   30.839   1.0286  128.092   8.5196  131.158   13.808  126.206   10.826   31.090   1.6596   30.582   1.3180 0.5074196 2.119275 
1 1 1   15   11  -37 o   34.249   0.9914  157.926   9.1197  177.533   14.637  145.486   11.659   36.253   1.5032   32.840   1.3218 3.413155 2.001729 
1 1 1   15   11  -36 o   16.825   1.5076   38.529   6.7407   61.713   12.164   28.253   8.0978   21.210   2.1656   14.264   2.1831 6.945790 3.075020 
1 1 1   15   11  -35 o   54.427   0.8634  398.504   12.621  408.208   20.912  392.945   15.829   55.006   1.4154   54.018   1.0910 0.9877243 1.787127 
1 1 1   15   11  -34 o   39.072   0.9786  205.448   10.270  227.767   22.845  199.795   11.497   40.936   2.0847   38.519   1.1113 2.416916 2.362383 
1 1 1   15   11  -33 o   96.153   1.1355  1244.97   29.325  1284.02   60.106  1232.77   33.594   97.245   2.3012   95.639   1.3078 1.605385 2.646874 
1 1 1   15   11  -32 o   53.822   0.8483  389.577   12.263  367.873   19.935  402.788   15.553   52.235   1.4209   54.706   1.0585 -2.470562 1.771854 
1 1 1   15   11  -31 o   59.116   0.7973  469.858   12.660  482.240   18.931  459.841   17.027   59.849   1.1777   58.454   1.0845 1.395367 1.600984 
1 1 1   15   11  -30 o   26.115   1.0477   91.756   7.3488   89.819   9.3412   94.903   11.904   25.787   1.3534   26.468   1.6833 -0.6812210 2.159879 
1 1 1   15   11  -29 o   39.261   1.0076  207.318   10.625  188.137   15.879  222.870   14.298   37.359   1.5825   40.685   1.3084 -3.326679 2.053327 
1 1 1   15   11  -28 o   42.052   0.8330  237.711   9.4087  247.083   13.155  227.896   13.463   42.856   1.1428   41.153   1.2180 1.702576 1.670177 
1 1 1   15   11  -27 o   44.127   0.7774  261.693   9.2134  261.301   12.252  262.203   13.977   44.081   1.0348   44.149   1.1787 -0.6737900E-01 1.568505 
1 1 1   15   11  -26 o   27.227   0.8638   99.638   6.3166  112.925   9.0311   86.913   8.8381   28.976   1.1604   25.382   1.3008 3.593504 1.743144 
1 1 1   15   11  -25 o   31.363   0.8682  132.200   7.3133  134.503   10.110  129.673   10.592   31.624   1.1903   31.048   1.2701 0.5761871 1.740680 
1 1 1   15   11  -24 o   32.965   0.7333  146.015   6.4924  146.235   8.9065  145.765   9.4840   32.982   1.0054   32.927   1.0724 0.5534363E-01 1.469965 
1 1 1   15   11  -23 o   45.278   0.7107  275.446   8.6433  276.596   12.013  274.212   12.445   45.363   0.9860   45.165   1.0259 0.1975403 1.422899 
1 1 1   15   11  -22 o   61.561   0.8892  509.290   14.702  510.772   20.441  507.703   21.162   61.631   1.2349   61.442   1.2823 0.1886482 1.780230 
1 1 1   15   11  -21 o   66.756   0.8732  598.841   15.656  593.192   18.899  611.200   27.952   66.430   1.0592   67.396   1.5441 -0.9658508 1.872517 
1 1 1   15   11  -20 o   74.926   0.8326  754.323   16.756  753.455   22.402  755.427   25.245   74.866   1.1141   74.955   1.2540 -0.8820343E-01 1.677388 
1 1 1   15   11  -19 f   62.358   0.7747  522.444   12.976  512.242   17.170  536.031   19.815   61.735   1.0355   63.146   1.1683 -1.410439 1.561142 
1 1 1   15   11  -18 o   83.434   0.8306  935.310   18.614  930.135   26.135  940.637   26.518   83.183   1.1698   83.650   1.1803 -0.4675674 1.661723 
1 1 1   15   11  -17 o   58.588   0.8899  461.220   14.003  470.971   17.833  445.537   22.616   59.195   1.1216   57.558   1.4629 1.637260 1.843429 
1 1 1   15   11  -16 o   90.498   0.9976  1100.54   24.249  1132.01   32.854  1062.87   35.942   91.761   1.3330   88.901   1.5052 2.859818 2.010633 
1 1 1   15   11  -15 o   24.211   0.8337   78.750   5.4215   72.702   7.1872   86.734   8.2581   23.258   1.1505   25.403   1.2103 -2.144413 1.669913 
1 1 1   15   11  -14 o   98.285   0.9119  1297.88   24.073  1303.43   34.066  1292.35   34.023   98.473   1.2880   98.053   1.2918 0.4194489 1.824210 
1 1 1   15   11  -13 o  141.271   1.2403  2682.31   47.063  2678.64   69.594  2685.41   63.886  141.108   1.8362  141.306   1.6833 -0.1976013 2.491010 
1 1 1   15   11  -12 o  106.255   1.1753  1517.21   33.543  1417.83   52.832  1584.33   43.416  102.659   1.9160  108.558   1.4890 -5.898399 2.426598 
1 1 1   15   11  -11 o  112.224   1.1511  1692.35   34.698  1648.07   59.149  1715.59   42.844  110.679   1.9897  112.974   1.4119 -2.294662 2.439790 
1 1 1   15   11  -10 o   94.537   1.0777  1200.84   27.365  1210.28   38.859  1191.55   38.542   94.884   1.5248   94.147   1.5242 0.7372055 2.155927 
1 1 1   15   11   -9 o  127.947   1.1481  2199.66   39.454  2207.57   58.766  2193.16   53.236  128.135   1.7075  127.729   1.5518 0.4057846 2.307292 
1 1 1   15   11   -8 o  163.002   1.3387  3570.72   58.610  3569.75   82.903  3571.68   82.870  162.923   1.8945  162.967   1.8932 -0.4435730E-01 2.678349 
1 1 1   15   11   -7 o   70.288   0.9416  663.691   17.777  674.758   25.569  653.336   24.733   70.859   1.3435   69.726   1.3207 1.133080 1.883891 
1 1 1   15   11   -6 o   13.102   1.5324   23.388   5.2907   27.227   8.6336   21.079   6.6952   14.032   2.3756   12.348   2.0934 1.683274 3.166384 
1 1 1   15   11   -5 o  111.937   1.0891  1683.42   32.743  1679.92   51.954  1685.73   42.172  111.785   1.7304  111.998   1.4019 -0.2135010 2.227028 
1 1 1   15   11   -4 o  165.277   1.4152  3671.05   62.823  3717.51   93.914  3633.42   84.518  166.249   2.1032  164.380   1.9143 1.869247 2.843938 
1 1 1   15   11   -3 o   69.681   0.7653  652.204   14.323  662.251   20.583  642.769   19.945   70.209   1.0915   69.169   1.0736 1.039963 1.530971 
1 1 1   15   11   -2 o  110.901   0.9875  1652.26   29.416  1646.71   41.606  1657.82   41.594  110.696   1.3994  111.069   1.3943 -0.3729095 1.975404 
1 1 1   15   11   -1 f   14.605   1.2656   28.877   4.9157   24.703   7.1285   32.662   6.7876   13.400   2.0454   15.500   1.6560 -2.099598 2.631736 
1 1 1   15   11    0 o  163.105   1.3389  3574.86   58.654  3621.57   83.663  3529.71   82.253  164.117   1.8980  162.024   1.8901 2.093979 2.678550 
1 1 1   15   11    1 f  105.118   0.9955  1484.43   28.107  1481.80   38.052  1487.58   41.696  105.010   1.3491  105.208   1.4756 -0.1985168 1.999366 
1 1 1   15   11    2 o  145.360   1.4886  2839.73   58.117  2902.52   68.013  2669.83  111.881  146.939   1.7233  140.788   2.9587 6.150711 3.423962 
1 1 1   15   11    3 o   51.745   0.8882  359.687   12.345  361.457   17.991  358.112   16.970   51.865   1.2915   51.626   1.2238 0.2390518 1.779263 
1 1 1   15   11    4 o  141.455   1.1891  2688.51   45.179  2726.56   64.480  2651.82   63.321  142.417   1.6857  140.452   1.6785 1.965012 2.378843 
1 1 1   15   11    5 o   94.184   0.9273  1191.66   23.457  1184.92   34.807  1197.26   31.751   93.900   1.3801   94.394   1.2523 -0.4932785 1.863584 
1 1 1   15   11    6 o   19.897   1.0012   53.322   5.3334   64.613   7.7871   43.347   7.3196   21.887   1.3310   17.892   1.5381 3.994831 2.033978 
1 1 1   15   11    7 o  137.897   1.1654  2555.01   43.164  2551.77   61.045  2558.25   61.043  137.774   1.6496  137.949   1.6475 -0.1749725 2.331426 
1 1 1   15   11    8 o  143.188   1.3153  2755.32   50.586  2772.71   80.289  2743.87   65.141  143.566   2.0822  142.858   1.6977 0.7077484 2.686535 
1 1 1   15   11    9 o   72.172   0.8124  699.710   15.749  711.699   23.637  690.138   21.120   72.776   1.2092   71.669   1.0971 1.107086 1.632772 
1 1 1   15   11   10 o   94.301   0.8895  1194.65   22.529  1223.79   32.202  1166.72   31.531   95.428   1.2564   93.176   1.2599 2.251678 1.779299 
1 1 1   15   11   11 o   68.654   0.7922  633.157   14.607  651.889   20.083  612.116   21.285   69.653   1.0735   67.492   1.1742 2.161743 1.590929 
1 1 1   15   11   12 o  111.676   0.9952  1675.66   29.851  1665.16   42.013  1686.37   42.422  111.299   1.4054  112.005   1.4101 -0.7063675 1.990891 
1 1 1   15   11   13 o   96.973   0.9472  1263.46   24.672  1260.99   36.598  1265.52   33.403   96.851   1.4069   97.033   1.2817 -0.1821518 1.903172 
1 1 1   15   11   14 o   76.965   0.9170  795.884   18.956  824.163   32.497  781.300   23.337   78.288   1.5455   76.247   1.1395 2.040413 1.920158 
1 1 1   15   11   15 o   11.405   1.7400   17.898   5.1612   24.234   7.2077   11.231   7.3939   13.256   2.0940   9.1107   2.7732 4.145090 3.474917 
1 1 1   15   11   16 o   79.149   0.8473  841.687   18.012  862.821   26.717  824.078   24.388   80.117   1.2416   78.302   1.1596 1.814636 1.698900 
1 1 1   15   11   17 o   91.882   1.0052  1134.53   24.806  1132.71   36.876  1136.03   33.526   91.772   1.4961   91.918   1.3579 -0.1463699 2.020441 
1 1 1   15   11   18 o  114.234   1.1089  1753.98   34.023  1774.19   44.263  1724.81   53.189  114.857   1.4348  113.207   1.7493 1.649246 2.262418 
1 1 1   15   11   19 f   87.651   0.8968  1032.37   21.113  1025.10   30.880  1038.75   28.932   87.312   1.3168   87.899   1.2255 -0.5869064 1.798804 
1 1 1   15   11   20 o  150.721   1.2609  3054.55   51.042  3030.53   71.719  3079.21   72.660  150.034   1.7797  151.232   1.7888 -1.198135 2.523327 
1 1 1   15   11   21 o   86.588   0.9350  1007.60   21.745  1012.59   28.224  1000.32   34.108   86.781   1.2109   86.229   1.4727 0.5520935 1.906588 
1 1 1   15   11   22 o   62.454   0.8766  524.172   14.704  531.002   21.606  518.279   20.069   62.836   1.2802   62.084   1.2035 0.7522545 1.757097 
1 1 1   15   11   23 o   57.351   0.8186  441.995   12.610  440.942   19.242  442.787   16.694   57.260   1.2512   57.390   1.0830 -0.1299171 1.654780 
1 1 1   15   11   24 o   80.302   0.8672  866.636   18.705  850.314   24.968  887.513   28.239   79.519   1.1690   81.227   1.2943 -1.708588 1.744125 
1 1 1   15   11   25 o   79.513   0.9093  849.784   19.420  855.943   24.928  840.276   30.976   79.778   1.1634   79.013   1.4596 0.7654648 1.866488 
1 1 1   15   11   26 o   48.404   0.7749  314.865   10.075  310.001   13.247  321.539   15.516   48.017   1.0271   48.893   1.1815 -0.8760262 1.565592 
1 1 1   15   11   27 o   13.855   1.4738   26.140   5.4005   18.865   7.0359   36.572   8.4253   11.609   2.3374   16.349   1.9577 -4.739972 3.048949 
1 1 1   15   11   28 o   27.110   0.9320   98.816   6.7865   97.856   9.1945   99.965   10.059   26.964   1.2695   27.213   1.3807 -0.2488232 1.875634 
1 1 1   15   11   29 o   28.467   0.9681  108.985   7.4020  112.197   11.236  106.523   9.8383   28.822   1.4562   28.128   1.3022 0.6937962 1.953554 
1 1 1   15   11   30 o   40.059   0.7934  215.735   8.5365  220.894   12.347  211.012   11.815   40.513   1.1347   39.598   1.1109 0.9148560 1.587956 
1 1 1   15   11   31 o   15.744   1.4417   33.690   6.0288   32.375   7.5267   36.044   10.070   15.368   1.8614   16.129   2.3975 -0.7607298 3.035280 
1 1 1   15   11   32 o   9.1840   2.1355   11.882   5.1680   12.419   6.3998   10.876   8.7618   9.3944   2.4945   9.1518   3.0461 0.2425814 3.937098 
1 1 1   15   11   33 o   58.443   0.7757  459.275   12.177  455.881   16.731  463.097   17.756   58.194   1.0704   58.645   1.1272 -0.4511223 1.554509 
1 1 1   15   11   34 o   32.382   0.8792  141.058   7.6468  139.986   10.242  142.409   11.495   32.236   1.1829   32.502   1.3168 -0.2657890 1.770040 
1 1 1   15   11   35 o   36.165   0.8267  175.923   8.0301  168.712   10.672  185.337   12.192   35.393   1.1226   37.085   1.2240 -1.692760 1.660873 
1 1 1   15   11   36 o   36.493   0.9176  179.217   8.9943  180.785   12.418  177.486   13.045   36.619   1.2625   36.275   1.3389 0.3442955 1.840284 
1 1 1   15   11   37 o   36.779   0.8516  182.000   8.4130  190.095   11.476  172.595   12.370   37.560   1.1375   35.773   1.2874 1.787285 1.717961 
1 1 1   15   11   38 o   27.793   0.8818  103.963   6.5825  103.039   8.1497  105.697   11.165   27.653   1.0972   27.929   1.4937 -0.2757473 1.853421 
1 1 1   15   11   39 o   40.900   0.7920  225.072   8.7002  222.568   10.862  229.557   14.533   40.650   0.9948   41.238   1.3121 -0.5883179 1.646590 
1 1 1   15   11   40 o   34.071   1.0791  156.490   9.8756  167.124   11.800  131.624   18.044   35.187   1.2485   30.994   2.1814 4.193291 2.513415 
1 1 1   15   11   41 o   9.2968   2.2165   12.271   5.4565   15.311   6.4339   4.4818   10.298   10.377   2.3616   7.9103   3.1758 2.466283 3.957583 
1 1 1   15   11   42 o   47.139   0.8116  299.141   10.276  285.225   13.739  316.813   15.482   45.981   1.1124   48.444   1.1899 -2.463371 1.628914 
1 1 1   15   11   43 o   44.080   0.9228  261.793   10.926  263.923   13.863  258.303   17.750   44.216   1.1673   43.666   1.5135 0.5500984 1.911342 
1 1 1   15   11   44 o   26.504   1.0925   94.778   7.7774   88.741   9.6446  106.002   13.151   25.569   1.4098   27.872   1.7659 -2.303200 2.259595 
1 1 1   15   11   45 o   36.756   0.9011  182.016   8.8957  180.570   11.891  183.854   13.406   36.563   1.2108   36.868   1.3538 -0.3046570 1.816266 
1 1 1   15   11   46 o   23.937   1.1693   77.381   7.5180   81.231   9.9268   72.203   11.513   24.433   1.5202   22.947   1.8846 1.485764 2.421295 
1 1 1   15   11   47 o   30.963   1.0565  129.382   8.7859  132.391   12.534  126.476   12.319   31.245   1.4936   30.537   1.5019 0.7075443 2.118167 
1 1 1   15   11   48 o   38.651   1.0394  201.678   10.790  219.624   14.858  181.656   15.695   40.255   1.3742   36.551   1.5987 3.703506 2.108159 
1 1 1   15   11   49 o   17.233   1.7228   40.928   7.8676   33.876   10.333   50.658   12.137   15.410   2.5882   18.969   2.4386 -3.559522 3.556031 
1 1 1   15   11   50 o   19.674   2.8212   55.588   14.481   97.640   22.868   27.435   18.711   25.855   3.3734   13.483   4.4496 12.37180 5.583810 
1 1 1   15   11   51 o   17.868   4.2052   50.146   19.846  -2.4040   41.735   65.500   22.560   12.472   5.6759   20.466   4.2433 -7.993955 7.086700 
1 1 1   15   11   52 o   10.312   3.6231   14.992   12.433   0.3493   17.672   29.339   17.493   8.8432   3.8791   13.587   4.2876 -4.744070 5.781967 
1 1 1   15   11   53 o   30.861   1.8675  132.781   15.407  124.328   22.336  140.453   21.279   29.128   2.8934   31.252   2.5574 -2.124846 3.861570 
1 1 1   15   11   54 o   7.5263   3.2780   0.7565   12.422  -2.1071   18.867   2.9478   16.505   8.6334   3.8834   8.7410   3.7928 -0.1075935 5.428276 
1 1 1   15   12  -53 o   12.461   4.7851   24.560   22.495   0.0000   0.0000   24.560   22.495  ?   ?    12.461   4.7851 0.000000 4.785133 
1 1 1   15   12  -51 o   9.6314   3.4944   12.390   11.662   3.6659   16.285   21.573   16.708   8.9602   3.8259   11.994   4.2009 -3.033982 5.681932 
1 1 1   15   12  -50 o   11.467   3.5102   19.651   11.824   20.064   16.637   19.229   16.807   11.812   4.1870   11.666   4.2005 0.1462412 5.930878 
1 1 1   15   12  -49 o   26.537   2.0223   97.654   14.306   92.885   21.099  101.713   19.463   25.310   3.1734   26.738   2.7493 -1.428532 4.198701 
1 1 1   15   12  -48 o   23.048   2.0033   73.480   12.278   74.547   17.643   72.478   17.098   22.842   2.9441   22.543   2.8904 0.2996120 4.125833 
1 1 1   15   12  -47 o   16.915   2.4519   40.319   10.815   25.042   16.363   52.170   14.411   13.084   4.1487   19.124   2.8963 -6.039707 5.059649 
1 1 1   15   12  -46 o   19.897   1.8137   54.384   9.5861   47.494   13.378   61.655   13.743   18.292   2.8132   21.001   2.4845 -2.709606 3.753217 
1 1 1   15   12  -45 o   15.626   2.0033   33.861   8.2144   48.554   12.569   22.906   10.853   18.591   2.5873   12.555   3.2069 6.036075 4.120470 
1 1 1   15   12  -44 o   16.738   1.8964   38.639   8.3752   33.745   13.113   42.011   10.885   15.250   3.2975   17.332   2.4027 -2.082316 4.080010 
1 1 1   15   12  -43 o   14.097   2.1438   27.761   7.8613   23.092   11.718   31.582   10.601   12.606   3.3881   14.893   2.7514 -2.287107 4.364573 
1 1 1   15   12  -42 o   32.340   1.1785  141.228   10.237  140.423   15.989  141.788   13.327   32.065   1.8646   32.343   1.5341 -0.2781219 2.414571 
1 1 1   15   12  -41 o   35.342   1.0732  168.486   10.187  175.652   15.567  163.119   13.473   35.988   1.6105   34.713   1.4450 1.274426 2.163725 
1 1 1   15   12  -40 o   36.536   1.0670  180.016   10.471  192.537   16.051  170.740   13.815   37.692   1.5855   35.521   1.4480 2.170849 2.147214 
1 1 1   15   12  -39 o   39.652   1.0567  211.949   11.253  218.515   19.660  208.750   13.724   40.111   1.8249   39.313   1.2997 0.7977371 2.240422 
1 1 1   15   12  -38 o   44.787   0.9268  270.107   11.149  265.206   20.959  272.041   13.166   44.223   1.7645   44.924   1.0911 -0.7005081 2.074637 
1 1 1   15   12  -37 o   32.179   1.0280  139.486   8.8846  128.391   14.088  146.812   11.448   30.743   1.7130   32.984   1.2923 -2.241146 2.145732 
1 1 1   15   12  -36 o   38.958   0.9709  204.342   10.159  214.610   16.287  197.803   12.998   39.851   1.5217   38.296   1.2637 1.555206 1.977977 
1 1 1   15   12  -35 o   27.619   1.0552  102.731   7.8280  106.011   13.021  100.875   9.7959   27.935   1.7442   27.345   1.3337 0.5896721 2.195674 
1 1 1   15   12  -34 o   20.291   1.2828   55.731   6.9554   52.272   11.691   57.626   8.6534   19.480   2.2775   20.594   1.5764 -1.113857 2.769888 
1 1 1   15   12  -33 o   33.231   1.0453  148.679   9.3302  148.003   19.973  148.867   10.552   32.926   2.2724   33.241   1.1819 -0.3147697 2.561424 
1 1 1   15   12  -32 o   44.138   0.8201  262.016   9.7224  276.807   15.036  251.389   12.745   45.324   1.2351   43.208   1.0982 2.115891 1.652769 
1 1 1   15   12  -31 o   35.423   0.9434  168.824   8.9762  178.408   13.383  160.986   12.102   36.377   1.3697   34.562   1.3037 1.815495 1.890944 
1 1 1   15   12  -30 o   67.445   0.8708  611.789   15.775  603.329   22.107  620.567   22.517   66.928   1.2298   67.877   1.2351 -0.9485321 1.742920 
1 1 1   15   12  -29 o   31.997   0.7807  137.640   6.7090  140.057   7.7399  130.337   13.455   32.271   0.8930   31.039   1.6195 1.232302 1.849394 
1 1 1   15   12  -28 o   10.370   1.3125   14.713   3.5740   16.370   4.1441   9.9013   7.0605   10.928   1.4476   8.6019   2.7250 2.325616 3.085589 
1 1 1   15   12  -27 o   30.044   0.8393  121.347   6.7728  127.010   8.5500  111.807   11.097   30.728   1.0359   28.810   1.4341 1.918835 1.769113 
1 1 1   15   12  -26 o   12.179   1.4867   20.273   4.7621   14.183   5.4134   41.111   10.014   10.065   2.0715   17.303   2.2048 -7.237518 3.025315 
1 1 1   15   12  -25 o   89.473   0.9156  1076.21   22.003  1065.82   29.412  1089.41   33.160   89.003   1.2303   89.962   1.3723 -0.9591446 1.843103 
1 1 1   15   12  -24 o   63.935   0.8954  549.463   15.377  537.209   20.220  566.269   23.679   63.196   1.1913   64.867   1.3591 -1.670841 1.807280 
1 1 1   15   12  -23 f   62.964   0.7885  532.763   13.335  518.229   17.581  552.450   20.463   62.083   1.0543   64.090   1.1887 -2.006741 1.588925 
1 1 1   15   12  -22 o   48.857   0.7171  320.730   9.4104  315.484   12.989  326.526   13.652   48.444   0.9983   49.283   1.0314 -0.8387680 1.435356 
1 1 1   15   12  -21 o   21.272   0.9659   60.820   5.5184   62.814   7.6464   58.653   7.9722   21.569   1.3263   20.829   1.4337 0.7395077 1.953145 
1 1 1   15   12  -20 o   16.857   1.3036   38.448   5.8565   43.603   6.8906   25.036   11.115   17.944   1.4418   13.330   3.1537 4.614421 3.467632 
1 1 1   15   12  -19 o   14.014   1.4108   26.685   5.2381   27.935   6.1559   23.405   9.9716   14.314   1.6302   12.900   2.9431 1.414509 3.364408 
1 1 1   15   12  -18 o   35.028   0.8025  164.864   7.5498  167.351   9.7388  161.119   11.952   35.285   1.0276   34.614   1.2856 0.6716690 1.645800 
1 1 1   15   12  -17 o   54.528   0.7259  399.472   10.632  404.534   14.919  394.250   15.154   54.862   1.0125   54.159   1.0417 0.7031364 1.452709 
1 1 1   15   12  -16 o   72.233   0.8467  701.084   16.427  698.195   21.234  705.389   25.925   72.071   1.0969   72.426   1.3327 -0.3548050 1.726090 
1 1 1   15   12  -15 o   52.615   0.7895  371.945   11.157  383.443   16.064  361.231   15.507   53.410   1.1198   51.841   1.1137 1.569809 1.579352 
1 1 1   15   12  -14 o   91.265   0.9580  1119.28   23.483  1134.22   33.666  1105.11   32.772   91.843   1.3647   90.658   1.3459 1.184792 1.916726 
1 1 1   15   12  -13 o   66.009   0.7889  585.380   13.987  582.105   20.814  588.076   18.888   65.808   1.1776   66.150   1.0631 -0.3421097 1.586448 
1 1 1   15   12  -12 o   55.796   0.7214  418.229   10.811  413.062   15.170  423.561   15.411   55.442   1.0187   56.142   1.0220 -0.7000237 1.442989 
1 1 1   15   12  -11 o   97.197   0.9493  1269.38   24.782  1280.58   37.046  1260.31   33.339   97.593   1.4133   96.828   1.2819 0.7654724 1.908061 
1 1 1   15   12  -10 o   8.2852   2.0169   9.6097   4.4461   5.4940   6.1362   14.159   6.4511   7.0208   2.5367   10.051   2.4188 -3.030706 3.505038 
1 1 1   15   12   -9 o   89.493   0.8635  1076.00   20.755  1059.66   29.195  1092.69   29.512   88.793   1.2242   90.167   1.2186 -1.373672 1.727279 
1 1 1   15   12   -8 o  162.670   1.3965  3557.20   61.014  3585.42   90.901  3534.05   82.311  163.217   2.0735  162.073   1.8908 1.143448 2.806209 
1 1 1   15   12   -7 o  103.768   1.0308  1446.82   28.730  1417.53   44.828  1467.24   37.427  102.672   1.6256  104.479   1.3337 -1.807068 2.102688 
1 1 1   15   12   -6 o  147.668   1.3487  2930.96   53.495  2914.24   84.216  2942.27   69.263  147.151   2.1308  147.910   1.7435 -0.7588501 2.753159 
1 1 1   15   12   -5 o   21.264   1.0604   60.757   6.0564   63.158   10.482   59.554   7.4205   21.593   1.8244   21.008   1.3218 0.5844707 2.252935 
1 1 1   15   12   -4 o   47.223   0.8088  299.564   10.258  306.071   17.563  296.195   12.638   47.720   1.3703   46.953   1.0022 0.7669678 1.697652 
1 1 1   15   12   -3 o   61.614   0.7988  509.970   13.219  532.086   21.160  495.812   16.929   62.923   1.2520   60.747   1.0376 2.176044 1.626081 
1 1 1   15   12   -2 o   25.819   0.9020   89.557   6.2550   78.156   9.7522   97.524   8.1529   24.064   1.5166   26.940   1.1267 -2.876060 1.889301 
1 1 1   15   12   -1 o   31.350   0.8215  132.026   6.9171  114.021   10.694  144.976   9.0696   29.126   1.3670   32.849   1.0280 -3.722334 1.710407 
1 1 1   15   12    0 o   66.410   0.9085  592.487   16.206  601.419   23.047  583.753   22.791   66.896   1.2827   65.906   1.2875 0.9899521 1.817422 
1 1 1   15   12    1 o   97.130   1.0435  1267.57   27.222  1278.09   36.808  1254.87   40.444   97.513   1.4054   96.614   1.5586 0.8994293 2.098613 
1 1 1   15   12    2 o   50.791   0.7792  346.539   10.629  355.480   15.226  338.039   14.846   51.435   1.1021   50.158   1.1020 1.277607 1.558532 
1 1 1   15   12    3 o   52.294   0.8267  367.360   11.611  383.187   15.863  349.095   17.041   53.402   1.1059   50.967   1.2448 2.434582 1.665143 
1 1 1   15   12    4 o   83.634   0.9532  939.732   21.413  959.472   32.470  924.542   28.484   84.486   1.4309   82.941   1.2786 1.544418 1.918931 
1 1 1   15   12    5 o   58.606   0.7914  461.397   12.458  454.992   19.559  465.769   16.161   58.185   1.2515   58.877   1.0219 -0.6921539 1.615731 
1 1 1   15   12    6 o   30.997   0.8666  129.083   7.2153  117.923   11.769  135.803   9.1328   29.617   1.4795   31.791   1.0696 -2.174088 1.825639 
1 1 1   15   12    7 o   59.162   0.8799  470.226   13.982  463.025   26.925  472.885   16.361   58.676   1.7084   59.325   1.0268 -0.6486168 1.993233 
1 1 1   15   12    8 o   41.279   0.7765  228.907   8.6089  224.103   13.290  232.381   11.300   40.835   1.2117   41.587   1.0117 -0.7520294 1.578524 
1 1 1   15   12    9 o   61.473   0.8022  507.671   13.245  523.885   20.854  496.708   17.148   62.432   1.2436   60.798   1.0501 1.633778 1.627632 
1 1 1   15   12   10 o   48.387   0.8154  314.546   10.597  340.399   18.336  301.578   12.986   50.320   1.3567   47.374   1.0206 2.945744 1.697663 
1 1 1   15   12   11 o   97.560   0.9471  1278.89   24.819  1281.67   36.731  1276.55   33.667   97.636   1.4007   97.449   1.2863 0.1866302 1.901667 
1 1 1   15   12   12 o  128.673   1.1063  2225.17   38.235  2223.49   54.018  2226.85   54.127  128.577   1.5642  128.673   1.5661 -0.9677124E-01 2.213462 
1 1 1   15   12   13 o   19.984   1.0161   53.807   5.4359   64.561   7.3947   41.165   8.0180   21.878   1.2638   17.405   1.7384 4.473480 2.149248 
1 1 1   15   12   14 o   58.709   0.7398  463.059   11.665  467.214   16.408  458.812   16.587   58.962   1.0361   58.428   1.0569 0.5333977 1.480083 
1 1 1   15   12   15 o  151.889   1.2651  3101.76   51.612  3098.80   72.837  3104.74   73.145  151.730   1.7873  151.874   1.7931 -0.1441193 2.531706 
1 1 1   15   12   16 o   88.753   0.9007  1058.51   21.470  1043.34   31.362  1071.88   29.455   88.084   1.3256   89.289   1.2282 -1.204636 1.807132 
1 1 1   15   12   17 o   21.625   1.0436   62.857   6.0614   63.859   7.5551   61.047   10.154   21.753   1.2990   21.218   1.7987 0.5350304 2.218700 
1 1 1   15   12   18 o   83.042   0.8389  926.630   18.710  936.551   26.475  916.731   26.446   83.461   1.1810   82.573   1.1924 0.8887863 1.678282 
1 1 1   15   12   19 o   42.830   0.7372  246.468   8.4806  253.288   11.821  239.236   12.174   43.409   1.0139   42.186   1.0744 1.223598 1.477223 
1 1 1   15   12   20 o   34.577   0.8772  160.675   8.1471  157.915   10.400  165.060   13.108   34.271   1.1298   35.028   1.3933 -0.7563515 1.793802 
1 1 1   15   12   21 o   31.927   0.9982  137.023   8.5597  145.868   11.754  127.033   12.490   32.930   1.3289   30.723   1.5137 2.207047 2.014232 
1 1 1   15   12   22 o   55.564   0.9976  415.036   14.889  419.991   22.365  411.092   19.953   55.861   1.4906   55.277   1.3439 0.5834618 2.006983 
1 1 1   15   12   23 f   12.305   2.1154   21.003   6.7392   19.157   9.5035   22.870   9.5581   11.669   3.0118   12.746   2.8620 -1.076715 4.154743 
1 1 1   15   12   24 o   31.188   0.9414  130.764   7.8863  134.471   10.915  126.714   11.407   31.613   1.2854   30.683   1.3842 0.9300232 1.888979 
1 1 1   15   12   25 o   72.723   0.8475  710.876   16.555  721.679   24.622  701.964   22.364   73.235   1.2517   72.238   1.1526 0.9965668 1.701592 
1 1 1   15   12   26 o   44.832   0.8465  270.185   10.193  280.351   14.307  259.704   14.527   45.648   1.1669   43.930   1.2312 1.717701 1.696281 
1 1 1   15   12   27 o   49.323   0.8599  327.064   11.391  330.418   18.129  324.875   14.643   49.534   1.3627   49.139   1.1095 0.3943138 1.757210 
1 1 1   15   12   28 o   69.003   0.8356  640.162   15.487  659.035   23.019  624.555   20.933   69.966   1.2249   68.122   1.1441 1.844177 1.676120 
1 1 1   15   12   29 o   37.699   0.9221  191.150   9.3365  206.464   14.020  178.945   12.516   39.147   1.3333   36.450   1.2784 2.697510 1.847198 
1 1 1   15   12   30 o   8.3131   2.5280   9.4415   6.1464   16.366   8.2344   0.7293   9.2363   10.761   2.8163   6.8972   2.9104 3.863839 4.049878 
1 1 1   15   12   31 o   17.133   1.4327   39.861   6.5324   33.590   9.5868   45.296   8.9250   15.553   2.3697   18.209   1.8506 -2.655204 3.006734 
1 1 1   15   12   32 o   19.907   1.2008   53.580   6.3905   49.553   8.8180   58.035   9.2742   19.068   1.7410   20.656   1.6864 -1.588207 2.423822 
1 1 1   15   12   33 o   34.928   1.0144  164.225   9.5164  189.869   15.421  148.452   12.094   37.499   1.5311   33.177   1.3572 4.322083 2.045992 
1 1 1   15   12   34 o   61.147   0.9250  503.168   15.192  500.671   25.201  504.594   19.040   60.884   1.5411   61.198   1.1584 -0.3140869 1.927874 
1 1 1   15   12   35 o   5.7482   2.3612   1.4982   5.8469   9.6360   7.7937  -8.9782   8.8430   8.6079   2.8732   5.2670   2.4709 3.340984 3.789572 
1 1 1   15   12   36 o   47.603   0.7967  304.847   10.187  306.303   13.804  303.107   15.095   47.683   1.0778   47.418   1.1852 0.2649345 1.601985 
1 1 1   15   12   37 o   61.085   0.7627  501.951   12.514  500.560   16.466  503.852   19.252   60.962   1.0057   61.130   1.1725 -0.1680107 1.544733 
1 1 1   15   12   38 o   43.513   0.8251  254.821   9.6433  263.195   11.585  235.928   17.401   44.204   0.9758   41.757   1.5515 2.447201 1.832850 
1 1 1   15   12   39 o   57.150   0.9115  439.862   13.991  448.685   16.688  418.982   25.672   57.688   1.0770   55.576   1.7198 2.111423 2.029209 
1 1 1   15   12   40 o   9.3921   2.1178   12.505   5.2149   9.4818   6.2313   19.572   9.5271   8.2949   2.5497   11.664   3.0180 -3.369005 3.950888 
1 1 1   15   12   41 o   35.104   0.8765  165.980   8.2646  179.239   11.021  148.943   12.493   36.445   1.1259   33.178   1.4019 3.266499 1.798026 
1 1 1   15   12   42 o   43.347   0.8656  253.084   10.078  264.311   13.682  239.765   14.902   44.248   1.1512   42.109   1.3176 2.138592 1.749672 
1 1 1   15   12   43 o   26.743   1.0163   96.445   7.2998   93.473   9.4238  100.904   11.542   26.254   1.3409   27.229   1.5851 -0.9749527 2.076174 
1 1 1   15   12   44 o   6.7011   2.4764   4.9246   5.8975   4.2611   7.3660   6.1095   9.8430   6.9691   2.7210   8.1070   3.1509 -1.137909 4.163217 
1 1 1   15   12   45 o   15.675   1.5694   33.661   6.5185   33.986   8.3273   33.146   10.475   15.649   2.0289   15.285   2.6473 0.3636913 3.335404 
1 1 1   15   12   46 o   23.588   1.2563   75.462   7.9304   76.123   10.872   74.711   11.593   23.588   1.7281   23.332   1.8655 0.2565289 2.542925 
1 1 1   15   12   47 o   46.476   1.0188  291.595   12.718  290.423   16.206  293.472   20.518   46.307   1.3030   46.433   1.6452 -0.1260719 2.098678 
1 1 1   15   12   48 o   26.918   1.5800   99.022   11.374   94.121   13.482  111.122   21.182   26.128   1.9348   27.995   2.8571 -1.866791 3.450584 
1 1 1   15   12   49 o   34.777   1.9650  167.074   18.280  179.747   23.869  149.100   28.426   35.773   2.4999   32.009   3.3563 3.764236 4.185034 
1 1 1   15   12   50 o   19.419   3.0440   55.242   15.356   63.000   21.119   46.540   22.366   20.175   4.0383   16.898   4.7372 3.277761 6.224807 
1 1 1   15   12   51 o   8.8422   3.7052   5.0259   14.802   42.680   29.578  -7.5539   17.096   15.702   5.5810   7.8470   3.5946 7.854996 6.638410 
1 1 1   15   12   52 o   8.5208   3.4288   6.9906   12.035   10.524   18.025   4.1483   16.167   10.135   4.1523   8.9164   3.8097 1.218380 5.635202 
1 1 1   15   12   53 o   17.251   3.3266   46.071   14.855   69.960   26.995   35.693   17.792   19.738   5.0664   14.554   4.2718 5.183173 6.626925 
1 1 1   15   13  -52 o   10.692   4.1573   15.775   17.140   0.0000   0.0000   15.775   17.140  ?   ?    10.692   4.1573 0.000000 4.157314 
1 1 1   15   13  -51 o   12.947   4.2332   27.101   16.950   0.0000   0.0000   27.101   16.950  ?   ?    12.947   4.2332 0.000000 4.233208 
1 1 1   15   13  -50 o   9.3447   3.4608   11.242   11.530   8.8633   16.440   13.544   16.176   9.7220   3.9723   10.443   4.0448 -0.7210846 5.669201 
1 1 1   15   13  -49 o   6.6285   3.0032  -4.8637   11.523  -6.6125   17.264  -3.4588   15.473   8.0337   3.6540   7.9277   3.5450 0.1059947 5.091052 
1 1 1   15   13  -48 o   7.4807   3.2373   0.0343   11.960   17.904   17.637 -15.1792   16.273   11.588   4.2825   7.0292   3.3146 4.558408 5.415362 
1 1 1   15   13  -47 o   20.159   2.3334   57.001   12.401   63.211   17.430   50.636   17.647   20.871   3.2123   18.421   3.6951 2.450003 4.896216 
1 1 1   15   13  -46 o   38.205   1.3849  197.977   14.211  183.648   20.773  210.584   19.485   36.494   2.1285   39.252   1.8482 -2.757343 2.818883 
1 1 1   15   13  -45 o   21.773   1.6704   64.865   9.6944   61.501   13.704   68.233   13.716   20.965   2.4819   22.143   2.3417 -1.178013 3.412246 
1 1 1   15   13  -44 o   30.572   1.1999  126.314   9.8525  127.439   15.017  125.464   13.055   30.526   1.8402   30.353   1.6071 0.1733570 2.443144 
1 1 1   15   13  -43 o   9.2653   2.8769   11.933   7.9101  -2.8335   12.471   21.872   10.232   7.3269   3.2346   12.283   3.1009 -4.956161 4.480887 
1 1 1   15   13  -42 o   15.344   2.2206   32.888   8.8856   17.175   15.688   40.309   10.782   11.486   4.0665   16.957   2.4373 -5.470418 4.740959 
1 1 1   15   13  -41 o   22.383   1.5288   68.234   9.1361   70.705   14.029   66.415   12.039   22.579   2.3477   21.955   2.0658 0.6231861 3.127158 
1 1 1   15   13  -40 o   7.3545   2.7124   6.0246   7.0677  -1.5012   10.157   13.089   9.8409   6.7730   2.9566   9.8248   3.2262 -3.051752 4.376080 
1 1 1   15   13  -39 o   61.081   0.9717  502.838   15.942  523.754   24.598  487.691   20.932   62.193   1.4725   60.069   1.2974 2.124199 1.962550 
1 1 1   15   13  -38 o   45.052   1.1543  273.882   13.968  250.980   21.500  290.609   18.374   42.964   1.8631   46.338   1.4763 -3.373829 2.377140 
1 1 1   15   13  -37 o   23.302   1.4062   73.661   8.7600   65.631   14.852   77.944   10.848   21.721   2.5973   23.919   1.6996 -2.197285 3.103943 
1 1 1   15   13  -36 o   31.152   1.1897  130.896   9.9547  127.702   16.988  132.566   12.285   30.566   2.0816   31.316   1.4605 -0.7501335 2.542907 
1 1 1   15   13  -35 o   24.746   1.4215   82.982   9.4087   83.730   12.428   81.977   14.401   24.775   1.8817   24.439   2.2181 0.3359089 2.908720 
1 1 1   15   13  -34 o   25.591   1.1341   88.252   7.7954   82.866   9.8226   97.416   12.813   24.723   1.4861   26.759   1.7931 -2.035608 2.328911 
1 1 1   15   13  -33 o   13.107   1.8911   23.749   6.4651   23.458   7.9081   24.336   11.227   12.930   2.3642   13.038   3.2240 -0.1079712 3.997943 
1 1 1   15   13  -32 o   15.238   1.8111   31.865   7.2673   23.155   9.3169   45.399   11.614   12.770   2.7940   18.096   2.4525 -5.326156 3.717705 
1 1 1   15   13  -31 o   5.7936   1.9419   4.2697   3.5602   4.8913   3.7587  -1.1534   11.102   6.1174   1.9931   7.2029   3.1180 -1.085437 3.700622 
1 1 1   15   13  -30 o   45.151   0.8219  274.186   9.9670  263.299   12.085  297.342   17.625   44.228   1.0173   46.952   1.3976 -2.724434 1.728656 
1 1 1   15   13  -29 o   22.372   0.8784   67.324   5.2783   68.486   6.4912   65.057   9.0684   22.555   1.0715   21.901   1.5517 0.6546745 1.885680 
1 1 1   15   13  -28 o   57.156   0.8141  439.282   12.497  457.608   16.265  412.874   19.526   58.312   1.0385   55.354   1.3133 2.958324 1.674303 
1 1 1   15   13  -27 o   30.031   0.8524  121.272   6.8750  115.105   9.3994  128.367   10.082   29.238   1.1969   30.876   1.2157 -1.637127 1.706031 
1 1 1   15   13  -26 o   84.904   0.8538  969.280   19.470  964.990   27.283  973.732   27.793   84.666   1.1998   85.046   1.2167 -0.3797455 1.708752 
1 1 1   15   13  -25 o   48.874   0.9639  321.244   12.654  307.376   18.209  334.195   17.596   47.768   1.4193   49.819   1.3150 -2.051102 1.934819 
1 1 1   15   13  -24 o   44.418   0.7838  265.191   9.3505  271.656   12.278  256.262   14.428   44.943   1.0171   43.637   1.2310 1.306576 1.596840 
1 1 1   15   13  -23 o   23.558   1.4687   75.025   9.2469   65.238   16.877   79.223   11.054   21.724   2.9703   24.183   1.7129 -2.459227 3.428833 
1 1 1   15   13  -22 o   48.576   0.7984  317.135   10.417  316.536   14.223  317.828   15.298   48.515   1.0915   48.608   1.1717 -0.9358978E-01 1.601363 
1 1 1   15   13  -21 o   41.263   0.8500  228.846   9.4208  229.826   14.547  228.137   12.364   41.329   1.3105   41.187   1.1176 0.1413651 1.722329 
1 1 1   15   13  -20 o   28.029   0.8981  105.592   6.7611  121.667   9.8692   91.376   9.2813   30.076   1.2217   26.026   1.3322 4.049173 1.807564 
1 1 1   15   13  -19 o   35.962   0.7757  173.782   7.4929  181.849   10.699  166.018   10.497   36.776   1.0831   35.138   1.1122 1.638386 1.552494 
1 1 1   15   13  -18 o   36.225   0.8260  176.342   8.0367  167.727   12.156  183.030   10.711   35.313   1.2817   36.897   1.0809 -1.584061 1.676600 
1 1 1   15   13  -17 o   68.530   0.8499  631.119   15.644  634.355   22.172  627.911   22.076   68.683   1.2019   68.333   1.2028 0.3498230 1.700382 
1 1 1   15   13  -16 o   36.704   0.7994  181.024   7.8812  188.242   10.050  169.496   12.701   37.423   0.9999   35.498   1.3321 1.924332 1.665603 
1 1 1   15   13  -15 o   55.513   0.8763  414.133   13.066  410.031   15.125  426.203   25.943   55.231   1.0196   56.265   1.7167 -1.033127 1.996632 
1 1 1   15   13  -14 o  114.694   1.2427  1768.86   38.284  1760.08   48.471  1783.41   62.421  114.365   1.5779  115.046   2.0201 -0.6809235 2.563314 
1 1 1   15   13  -13 o   17.730   1.1644   42.441   5.5142   33.142   7.7492   51.980   7.8482   15.574   1.8913   19.599   1.5023 -4.025200 2.415392 
1 1 1   15   13  -12 o  116.824   1.0300  1834.30   32.318  1841.27   45.743  1827.36   45.666  116.999   1.4556  116.555   1.4587 0.4433212 2.060740 
1 1 1   15   13  -11 f   30.381   0.7865  124.015   6.4181  131.497   9.0383  116.405   9.1154   31.278   1.0758   29.427   1.1533 1.851488 1.577183 
1 1 1   15   13  -10 o   25.413   0.8471   86.776   5.7823   87.220   8.0835   86.311   8.2748   25.472   1.1815   25.338   1.2159 0.1337509 1.695389 
1 1 1   15   13   -9 o   61.460   0.7378  507.468   12.179  517.970   17.407  497.398   17.045   62.081   1.0439   60.836   1.0432 1.245243 1.475801 
1 1 1   15   13   -8 o   89.305   0.8620  1071.58   20.676  1083.95   29.430  1059.52   29.054   89.797   1.2202   88.780   1.2184 1.017288 1.724355 
1 1 1   15   13   -7 o   38.367   0.7253  197.749   7.4746  200.385   10.744  195.276   10.406   38.615   1.0359   38.120   1.0163 0.4949837 1.451179 
1 1 1   15   13   -6 o   65.197   0.7512  571.050   13.155  576.312   18.774  565.974   18.438   65.486   1.0674   64.896   1.0578 0.5896149 1.502741 
1 1 1   15   13   -5 o   75.990   0.7940  775.788   16.206  772.206   22.991  779.326   22.848   75.800   1.1293   76.149   1.1171 -0.3492966 1.588421 
1 1 1   15   13   -4 o  104.853   1.0431  1477.40   29.376  1480.29   46.582  1475.49   37.852  104.905   1.6532  104.763   1.3452 0.1417770 2.131374 
1 1 1   15   13   -3 o   93.176   0.9239  1166.50   23.123  1184.81   34.713  1151.90   31.001   93.876   1.3767   92.572   1.2468 1.303741 1.857403 
1 1 1   15   13   -2 o   15.529   1.3216   32.654   5.4602   37.186   8.3078   29.207   7.2447   16.514   1.9082   14.611   1.8903 1.902230 2.685999 
1 1 1   15   13   -1 o   57.145   0.8012  438.704   12.297  446.479   16.117  427.872   19.022   57.642   1.0410   56.420   1.2553 1.221764 1.630774 
1 1 1   15   13    0 o   82.635   0.8276  917.396   18.368  924.553   26.206  910.485   25.753   82.940   1.1764   82.307   1.1649 0.6327896 1.655546 
1 1 1   15   13    1 o   83.803   0.8675  943.546   19.527  954.012   26.767  931.638   28.551   84.251   1.1828   83.251   1.2768 0.9992599 1.740525 
1 1 1   15   13    2 o   53.403   0.7192  383.106   10.316  388.221   14.794  378.266   14.392   53.750   1.0248   53.057   1.0099 0.6931419 1.438758 
1 1 1   15   13    3 o   40.854   0.8033  224.230   8.8145  222.928   11.370  226.190   13.955   40.730   1.0393   41.021   1.2666 -0.2907372 1.638425 
1 1 1   15   13    4 o  108.005   1.1235  1567.74   32.591  1572.18   43.810  1562.24   48.768  108.126   1.5085  107.766   1.6848 0.3600845 2.261496 
1 1 1   15   13    5 o   71.613   0.8918  689.059   17.153  694.873   26.070  684.620   22.779   71.893   1.3501   71.369   1.1883 0.5235901 1.798565 
1 1 1   15   13    6 o   91.446   0.9147  1123.61   22.467  1126.19   33.442  1121.49   30.331   91.522   1.3604   91.340   1.2363 0.1820984 1.838264 
1 1 1   15   13    7 o  106.498   0.9631  1524.04   27.548  1509.87   38.798  1538.45   39.122  105.970   1.3631  106.969   1.3617 -0.9984741 1.926719 
1 1 1   15   13    8 o   74.775   0.7912  751.192   15.891  735.337   22.318  767.497   22.633   73.966   1.1234   75.567   1.1151 -1.600586 1.582857 
1 1 1   15   13    9 o   42.094   0.7195  238.048   8.1344  231.309   11.409  245.014   11.601   41.487   1.0239   42.699   1.0115 -1.211739 1.439277 
1 1 1   15   13   10 o   60.911   0.7382  498.450   12.077  492.721   16.990  504.300   17.169   60.549   1.0447   61.256   1.0435 -0.7073555 1.476632 
1 1 1   15   13   11 f  100.527   0.9290  1357.99   25.085  1330.42   35.068  1386.88   35.896   99.470   1.3126  101.558   1.3160 -2.088531 1.858662 
1 1 1   15   13   12 o   30.838   0.8220  127.778   6.8085  131.346   9.7750  124.416   9.4888   31.258   1.1643   30.422   1.1613 0.8356342 1.644437 
1 1 1   15   13   13 o   43.857   0.7304  258.412   8.6036  257.374   11.962  259.525   12.384   43.760   1.0177   43.941   1.0493 -0.1813889 1.461762 
1 1 1   15   13   14 o   84.321   0.8766  955.438   19.852  958.781   29.245  952.582   27.036   84.437   1.2895   84.172   1.1959 0.2654266 1.758684 
1 1 1   15   13   15 o  117.852   1.1344  1867.30   35.909  1862.89   46.340  1873.91   56.809  117.670   1.4662  117.965   1.7930 -0.2943954 2.316154 
1 1 1   15   13   16 o   67.899   0.9281  619.614   16.926  635.663   21.539  593.703   27.368   68.758   1.1663   66.421   1.5341 2.337067 1.927079 
1 1 1   15   13   17 o   85.425   0.9807  980.869   22.501  998.864   30.137  958.203   33.824   86.176   1.3020   84.383   1.4924 1.792664 1.980529 
1 1 1   15   13   18 o   6.7785   2.3467   5.5764   5.2064   9.9230   6.3774  -3.1096   9.0153   8.5363   2.5704   6.1778   2.7376 2.358467 3.755197 
1 1 1   15   13   19 o   41.984   0.8250  236.877   9.3030  262.566   13.069  210.492   13.245   44.190   1.1011   39.559   1.2466 4.630756 1.663260 
1 1 1   15   13   20 o   66.255   0.9424  590.067   16.771  620.534   32.568  579.073   19.564   67.861   1.7868   65.623   1.1100 2.238731 2.103493 
1 1 1   15   13   21 o   22.519   1.1249   68.201   6.8039   65.148   9.3903   71.574   9.8720   21.935   1.6050   22.997   1.6084 -1.061480 2.272186 
1 1 1   15   13   22 o   23.206   1.0587   72.419   6.5988   85.727   9.5278   60.151   9.1480   25.196   1.4136   21.068   1.6293 4.128122 2.157064 
1 1 1   15   13   23 o   79.296   0.9242  845.367   19.684  898.967   32.090  813.036   24.923   81.705   1.4623   77.737   1.1937 3.967590 1.887629 
1 1 1   15   13   24 o  105.866   1.0639  1507.49   30.252  1461.06   38.454  1582.90   49.006  104.168   1.3744  108.353   1.6839 -4.185425 2.173599 
1 1 1   15   13   25 o   45.069   0.9050  273.123   10.955  285.236   18.214  266.257   13.712   46.010   1.4738   44.482   1.1477 1.528183 1.867998 
1 1 1   15   13   26 o   24.814   0.9871   82.825   6.5787   81.726   8.3047   84.676   10.779   24.604   1.2609   25.005   1.6136 -0.4003010 2.047817 
1 1 1   15   13   27 o   15.283   1.3211   31.698   5.3694   34.989   6.9327   26.764   8.4884   16.020   1.6340   13.859   2.3652 2.161416 2.874794 
1 1 1   15   13   28 o   68.111   0.9092  624.026   16.633  645.093   22.664  599.430   24.488   69.207   1.2192   66.688   1.3672 2.519180 1.831850 
1 1 1   15   13   29 o   20.963   1.0559   59.304   5.9260   63.119   7.6742   53.670   9.3268   21.599   1.3293   19.849   1.7680 1.749979 2.211936 
1 1 1   15   13   30 o   30.055   0.9119  121.536   7.3617  118.431   10.155  124.976   10.688   29.643   1.2754   30.448   1.3069 -0.8053627 1.826119 
1 1 1   15   13   31 o   64.998   0.8517  568.333   14.870  568.329   24.126  568.335   18.883   64.908   1.3838   64.965   1.0822 -0.5660248E-01 1.756742 
1 1 1   15   13   32 o   22.829   1.1349   70.210   6.9589   67.238   9.6686   73.404   10.024   22.245   1.6295   23.250   1.6152 -1.005007 2.294383 
1 1 1   15   13   33 o   9.5219   2.1987   12.812   5.5097   11.690   7.0916   14.519   8.7511   9.1667   2.6988   10.190   2.9974 -1.023377 4.033319 
1 1 1   15   13   34 o   31.090   0.8836  130.079   7.3782  125.282   9.5262  137.270   11.664   30.488   1.1633   31.891   1.3617 -1.403893 1.790973 
1 1 1   15   13   35 o   12.849   1.4706   22.596   4.9838   24.549   5.9042   17.755   9.2949   13.363   1.6822   11.166   3.0245 2.197414 3.460817 
1 1 1   15   13   36 o   41.953   0.8180  236.848   9.2174  246.820   11.022  213.656   16.810   42.810   0.9586   39.735   1.5750 3.074692 1.843796 
1 1 1   15   13   37 o   33.325   0.8589  149.503   7.6882  145.810   9.0597  159.008   14.533   32.893   1.0254   34.268   1.5790 -1.374973 1.882737 
1 1 1   15   13   38 o   22.751   1.1126   69.820   6.7986   72.132   7.9019   63.230   13.339   23.073   1.2801   21.363   2.3643 1.709967 2.688642 
1 1 1   15   13   39 o   21.698   1.0228   63.477   5.9606   66.755   7.3281   57.069   10.247   22.197   1.2340   20.392   1.8924 1.805326 2.259231 
1 1 1   15   13   40 o   54.509   0.8108  400.076   11.870  402.243   16.197  397.562   17.446   54.596   1.1045   54.254   1.1972 0.3415375 1.628907 
1 1 1   15   13   41 o   18.702   1.2930   47.513   6.4552   46.180   8.1059   49.824   10.673   18.368   1.6610   18.973   2.1312 -0.6055374 2.702065 
1 1 1   15   13   42 o   26.080   1.0196   91.739   7.1424   90.030   9.0812   94.511   11.565   25.766   1.3166   26.331   1.6435 -0.5652370 2.105805 
1 1 1   15   13   43 o   26.617   1.0270   95.565   7.3424   90.121   9.4282  103.955   11.705   25.768   1.3671   27.633   1.5836 -1.864487 2.092109 
1 1 1   15   13   44 o   40.908   1.0124  225.744   11.124  219.769   17.673  229.665   14.315   40.218   1.6361   41.203   1.2935 -0.9852371 2.085618 
1 1 1   15   13   45 o   26.174   1.1621   92.585   8.1697   95.428   11.457   89.644   11.653   26.446   1.6208   25.607   1.7040 0.8383045 2.351694 
1 1 1   15   13   46 o   8.4349   2.8826   9.3202   7.8466   11.249   10.509   6.8906   11.795   9.3895   3.3278   8.6960   3.4288 0.6934175 4.778170 
1 1 1   15   13   47 o   7.9168   3.1916   4.7896   10.449   13.694   15.478  -2.6653   14.163   10.635   3.9957   7.7737   3.4387 2.861379 5.271636 
1 1 1   15   13   48 o   7.3639   3.2724  -2.8823   12.970 -10.2441   16.442   9.2460   21.104   7.5183   3.4733   10.755   4.4585 -3.237144 5.651717 
1 1 1   15   13   49 o   25.431   2.0806   90.354   14.087  101.187   21.566   82.291   18.605   26.322   3.1105   23.791   2.9767 2.531492 4.305326 
1 1 1   15   13   50 o   7.7185   3.4510  -2.9669   14.658   0.9675   20.246  -7.3010   21.250   9.4035   4.1377   8.7870   4.0187 0.6165648 5.768061 
1 1 1   15   13   51 o   9.7952   3.8403   11.560   14.718   18.450   18.424  -0.5940   24.469   11.393   4.3411   9.8675   4.4320 1.525090 6.203784 
1 1 1   15   13   52 o   9.9255   3.9713   11.880   16.045   0.0000   0.0000   11.880   16.045  ?   ?    9.9255   3.9713 0.000000 3.971326 
1 1 1   15   14  -51 o   13.098   4.9960   29.170   24.418   0.0000   0.0000   29.170   24.418  ?   ?    13.098   4.9960 0.000000 4.995960 
1 1 1   15   14  -50 o   15.516   4.0939   39.467   17.308   0.0000   0.0000   39.467   17.308  ?   ?    15.516   4.0939 0.000000 4.093863 
1 1 1   15   14  -49 o   13.744   3.3638   29.039   12.317   48.809   17.671   10.362   17.176   17.624   3.8417   10.042   4.0767 7.581476 5.601595 
1 1 1   15   14  -48 o   8.9610   3.4960   8.6625   12.152   7.8130   17.613   9.4344   16.789   9.8384   4.0753   9.9343   4.0314 -0.9587383E-01 5.732370 
1 1 1   15   14  -47 o   25.802   2.0652   92.664   14.192   94.364   20.650   91.143   19.538   25.513   3.0754   25.142   2.9493 0.3710670 4.261029 
1 1 1   15   14  -46 o   7.9296   3.1873   4.9941   10.386   8.1566   14.576   1.7320   14.804   9.4683   3.7863   8.5196   3.6430 0.9486456 5.254279 
1 1 1   15   14  -45 o   7.7584   3.1239   4.5203   9.9965   16.228   14.884  -5.1018   13.493   11.085   3.9569   7.2963   3.2829 3.789167 5.141448 
1 1 1   15   14  -44 f   40.362   1.1519  220.208   12.487  240.470   17.948  201.196   17.385   42.054   1.5889   38.438   1.6839 3.616314 2.315261 
1 1 1   15   14  -43 o   28.027   1.2652  106.265   9.5243   99.616   14.640  111.144   12.541   26.907   2.0409   28.547   1.6426 -1.639759 2.619818 
1 1 1   15   14  -42 o   32.605   1.1648  143.622   10.201  136.836   15.495  148.812   13.552   31.638   1.8313   33.120   1.5234 -1.481979 2.382096 
1 1 1   15   14  -41 o   27.219   1.4162  100.625   10.318   91.660   17.756  105.196   12.678   25.628   2.6162   27.763   1.7085 -2.134779 3.124608 
1 1 1   15   14  -40 o   25.194   1.2990   86.082   8.7602  112.905   14.596   70.979   10.952   28.714   1.9033   22.763   1.8061 5.950583 2.623883 
1 1 1   15   14  -39 o   19.411   1.4944   51.368   7.7317   62.609   12.441   44.294   9.8689   21.269   2.2101   17.883   2.0943 3.385775 3.044740 
1 1 1   15   14  -38 o   6.3189   2.5799   2.2062   6.9273   10.725   10.859  -3.6395   8.9954   9.3842   3.3766   6.0161   2.6957 3.368049 4.320699 
1 1 1   15   14  -37 o   65.761   1.0483  583.187   18.515  565.555   31.018  592.946   23.078   64.503   1.7904   66.236   1.2972 -1.733131 2.210933 
1 1 1   15   14  -36 o   32.916   1.0467  146.065   9.2534  140.673   17.166  148.273   10.986   32.078   2.0024   33.139   1.2343 -1.060196 2.352247 
1 1 1   15   14  -35 o   18.549   1.3556   46.729   6.7071   50.832   10.035   43.416   9.0172   19.237   1.9699   17.774   1.9194 1.463177 2.750371 
1 1 1   15   14  -34 o   22.003   1.2021   65.495   7.0775   52.789   8.9950   86.148   11.468   19.664   1.7204   25.159   1.7071 -5.494696 2.423620 
1 1 1   15   14  -33 o   7.0294   1.9825   6.8900   3.9052   5.1967   4.2065   17.454   10.507   6.3472   2.1105   11.130   3.2874 -4.782362 3.906528 
1 1 1   15   14  -32 o   59.054   0.7647  469.088   12.130  492.544   15.575  432.929   19.337   60.485   0.9587   56.653   1.2708 3.831863 1.591866 
1 1 1   15   14  -31 o   14.612   1.2014   28.972   4.6732   28.413   5.5224   30.382   8.7706   14.436   1.4436   14.776   2.2836 -0.3400373 2.701675 
1 1 1   15   14  -30 o   44.043   0.7708  260.893   9.1177  260.688   12.410  261.133   13.440   43.998   1.0502   44.025   1.1366 -0.2724075E-01 1.547476 
1 1 1   15   14  -29 o   59.962   0.7891  483.576   12.709  479.615   18.093  487.434   17.857   59.670   1.1289   60.158   1.1051 -0.4882126 1.579802 
1 1 1   15   14  -28 o   58.629   0.8258  462.344   13.004  471.819   19.859  455.232   17.206   59.168   1.2496   58.142   1.1018 1.026470 1.665978 
1 1 1   15   14  -27 o   10.407   2.0334   15.169   5.4797   19.856   6.4833   3.4466   10.253   11.932   2.0996   7.7438   3.1475 4.188551 3.783538 
1 1 1   15   14  -26 o   23.795   1.1229   76.230   7.1763   69.384   9.2568   86.542   11.361   22.626   1.5323   25.258   1.6843 -2.632711 2.276989 
1 1 1   15   14  -25 o   28.720   0.9494  110.955   7.3235  106.177   9.1760  119.341   12.155   28.079   1.2167   29.707   1.5286 -1.627367 1.953690 
1 1 1   15   14  -24 o   95.140   0.9946  1217.66   25.415  1225.56   33.023  1206.19   39.803   95.393   1.2889   94.571   1.5670 0.8215103 2.028946 
1 1 1   15   14  -23 o   9.0879   2.2291   11.622   5.3997   18.255   7.4098   4.1095   7.8851   11.386   2.4922   7.1622   2.8100 4.223498 3.755899 
1 1 1   15   14  -22 o   39.307   0.8145  207.690   8.5991  204.286   12.748  210.532   11.648   38.960   1.2182   39.559   1.0963 -0.5992775 1.638877 
1 1 1   15   14  -21 o   39.169   0.8494  206.236   8.9363  204.975   12.713  207.467   12.564   39.029   1.2127   39.267   1.1913 -0.2378349 1.699966 
1 1 1   15   14  -20 f   27.956   0.8462  105.051   6.3542  104.271   8.5963  105.990   9.4344   27.841   1.1496   28.065   1.2516 -0.2242069 1.699385 
1 1 1   15   14  -19 o   32.482   0.8458  141.817   7.3789  156.772   10.700  128.257   10.189   34.139   1.1669   30.876   1.2286 3.263111 1.694501 
1 1 1   15   14  -18 o   82.392   0.9115  912.507   20.171  904.488   31.448  918.112   26.292   81.973   1.4283   82.618   1.1849 -0.6446609 1.855801 
1 1 1   15   14  -17 o   61.376   0.7894  506.233   13.013  525.606   19.572  490.884   17.421   62.515   1.1656   60.421   1.0735 2.093441 1.584620 
1 1 1   15   14  -16 o   72.320   0.8259  702.877   16.042  693.919   23.525  710.662   21.932   71.828   1.2194   72.697   1.1232 -0.8697891 1.657900 
1 1 1   15   14  -15 o   50.036   0.7999  336.436   10.750  335.189   16.715  337.316   14.039   49.921   1.2467   50.090   1.0435 -0.1696701 1.625725 
1 1 1   15   14  -14 o   55.771   0.7682  417.948   11.508  420.973   15.351  414.068   17.387   55.960   1.0213   55.491   1.1666 0.4692497 1.550491 
1 1 1   15   14  -13 o   75.413   0.9186  764.349   18.606  774.245   22.917  745.208   31.872   75.885   1.1244   74.404   1.5948 1.480598 1.951322 
1 1 1   15   14  -12 o  137.387   1.2786  2538.60   47.182  2574.44   61.310  2486.55   73.887  138.286   1.6507  135.821   2.0254 2.465103 2.612825 
1 1 1   15   14  -11 o   24.216   0.9829   78.819   6.3932   83.740   8.2367   71.362   10.140   24.954   1.2289   22.965   1.6550 1.989447 2.061364 
1 1 1   15   14  -10 o   49.625   0.7942  330.893   10.586  322.119   13.558  344.597   16.944   48.953   1.0311   50.622   1.2462 -1.668667 1.617508 
1 1 1   15   14   -9 f   81.008   0.8580  881.828   18.669  872.835   25.216  892.736   27.773   80.573   1.1652   81.478   1.2691 -0.9048462 1.722842 
1 1 1   15   14   -8 o   64.842   0.7531  564.899   13.117  570.088   18.641  559.810   18.460   65.124   1.0657   64.534   1.0650 0.5896835 1.506629 
1 1 1   15   14   -7 o   35.961   0.7516  173.744   7.2597  159.833   10.245  187.776   10.289   34.482   1.1062   37.377   1.0249 -2.895397 1.507964 
1 1 1   15   14   -6 o   58.504   0.7339  459.847   11.532  465.582   16.493  454.362   16.130   58.855   1.0433   58.142   1.0329 0.7129974 1.468128 
1 1 1   15   14   -5 o  129.826   1.1154  2265.65   38.894  2269.49   55.053  2261.83   54.957  129.875   1.5782  129.655   1.5781 0.2194519 2.231863 
1 1 1   15   14   -4 o  111.664   1.0401  1675.85   31.195  1687.14   42.502  1662.68   45.931  112.001   1.4129  111.171   1.5382 0.8300629 2.088620 
1 1 1   15   14   -3 o   35.840   0.8519  172.598   8.2006  173.549   11.809  171.712   11.397   35.929   1.2237   35.739   1.1873 0.1895103 1.705017 
1 1 1   15   14   -2 o   20.187   1.0497   54.919   5.6717   44.695   8.7574   62.305   7.4438   18.130   1.8231   21.487   1.2959 -3.356848 2.236718 
1 1 1   15   14   -1 o   80.855   0.8561  878.420   18.591  869.766   27.612  885.596   25.144   80.429   1.2782   81.167   1.1534 -0.7375183 1.721634 
1 1 1   15   14    0 o   11.319   1.6755   17.613   4.9401   16.997   7.4538   18.096   6.5970   11.005   2.5686   11.392   2.2359 -0.3869905 3.405402 
1 1 1   15   14    1 o   75.708   0.7982  770.104   16.231  755.811   22.942  784.428   22.967   74.985   1.1391   76.392   1.1193 -1.407608 1.597021 
1 1 1   15   14    2 o  101.274   0.9755  1378.34   26.535  1404.73   39.850  1357.32   35.568  102.196   1.4518  100.470   1.3180 1.726051 1.960845 
1 1 1   15   14    3 o   17.670   1.2096   42.170   5.7060   44.617   9.6531   40.856   7.0743   18.088   2.0215   17.360   1.5330 0.7288074 2.536980 
1 1 1   15   14    4 o   83.457   0.9184  935.962   20.586  947.561   29.325  924.693   28.906   83.946   1.3006   82.927   1.2978 1.018906 1.837342 
1 1 1   15   14    5 o   22.811   1.0208   69.936   6.2543   70.509   8.2306   69.152   9.6213   22.858   1.3465   22.614   1.5942 0.2439613 2.086794 
1 1 1   15   14    6 o   78.198   0.8440  821.656   17.726  818.015   24.114  825.936   26.145   78.006   1.1509   78.376   1.2420 -0.3701782 1.693274 
1 1 1   15   14    7 o   92.231   0.8796  1143.08   21.791  1143.74   30.874  1142.42   30.760   92.229   1.2463   92.176   1.2425 0.5289459E-01 1.759842 
1 1 1   15   14    8 o   28.175   0.8263  106.668   6.2532  101.700   8.9034  111.505   8.7845   27.503   1.2053   28.800   1.1356 -1.297203 1.656008 
1 1 1   15   14    9 f   44.044   0.7227  260.628   8.5491  247.412   11.997  274.263   12.186   42.903   1.0411   45.172   1.0044 -2.269478 1.446591 
1 1 1   15   14   10 o   30.647   0.8264  126.212   6.8027  127.023   9.1848  125.227   10.125   30.738   1.1125   30.517   1.2353 0.2217999 1.662372 
1 1 1   15   14   11 o   46.285   0.7939  287.864   9.8696  291.964   12.594  281.337   15.889   46.606   1.0061   45.737   1.2934 0.8692589 1.638636 
1 1 1   15   14   12 o   98.002   1.0037  1290.99   26.419  1299.44   34.105  1278.31   41.775   98.293   1.2918   97.452   1.5960 0.8408813 2.053313 
1 1 1   15   14   13 o   82.672   0.9157  918.571   20.332  899.609   25.853  949.313   32.918   81.793   1.1768   83.994   1.4591 -2.200325 1.874556 
1 1 1   15   14   14 o   64.478   0.8730  558.727   15.119  565.456   18.614  545.681   25.919   64.853   1.0686   63.674   1.5155 1.179127 1.854395 
1 1 1   15   14   15 o  102.768   0.9475  1419.58   26.153  1409.97   36.726  1429.46   37.251  102.374   1.3357  103.078   1.3455 -0.7040558 1.895880 
1 1 1   15   14   16 o   51.990   0.7319  363.191   10.220  362.365   14.228  364.071   14.691   51.917   1.0203   52.037   1.0511 -0.1203728 1.464873 
1 1 1   15   14   17 o   58.321   0.7733  457.084   12.113  451.406   17.461  462.352   16.818   57.937   1.1220   58.639   1.0678 -0.7019653 1.548917 
1 1 1   15   14   18 o   12.717   1.4899   22.070   4.9928   15.426   6.4772   31.798   7.8375   10.480   2.3582   15.230   1.9615 -4.750690 3.067298 
1 1 1   15   14   19 o   68.803   0.9059  636.365   16.741  643.164   28.896  632.930   20.539   69.104   1.5568   68.600   1.1147 0.5037842 1.914773 
1 1 1   15   14   20 f   13.998   1.5238   26.702   5.6365   26.607   8.1073   26.791   7.8419   13.856   2.2561   13.921   2.1679 -0.6471729E-01 3.128862 
1 1 1   15   14   21 o   37.797   0.8004  192.026   8.1256  197.729   11.465  186.271   11.518   38.339   1.1134   37.209   1.1524 1.129536 1.602436 
1 1 1   15   14   22 o   25.974   1.0951   90.760   7.6396   89.916   9.9219   91.989   11.973   25.797   1.4377   26.060   1.7202 -0.2629414 2.241899 
1 1 1   15   14   23 o   5.9991   2.3293   3.0507   5.3744   0.9131   6.3375   8.5245   10.142   5.8290   2.4320   8.8356   3.2505 -3.006673 4.059631 
1 1 1   15   14   24 o   61.520   0.8083  508.840   13.356  507.955   19.572  509.611   18.272   61.427   1.1863   61.536   1.1055 -0.1097908 1.621551 
1 1 1   15   14   25 o   20.409   1.0462   56.201   5.7157   61.195   7.5477   49.486   8.7517   21.271   1.3278   19.066   1.7278 2.204374 2.179012 
1 1 1   15   14   26 o   40.714   0.7917  222.897   8.6582  217.339   11.570  229.972   13.053   40.183   1.0720   41.324   1.1760 -1.141651 1.591293 
1 1 1   15   14   27 o   95.989   1.1163  1240.69   28.779  1235.71   40.635  1245.71   40.765   95.668   1.5814   96.055   1.5801 -0.3867722 2.235501 
1 1 1   15   14   28 o   58.703   0.8135  463.477   12.827  456.816   18.582  469.542   17.729   58.230   1.1881   59.046   1.1179 -0.8163071 1.631328 
1 1 1   15   14   29 o   41.417   0.8485  230.758   9.4393  234.230   13.877  227.769   12.877   41.686   1.2394   41.116   1.1661 0.5703316 1.701707 
1 1 1   15   14   30 o   50.119   0.7755  337.841   10.439  326.434   14.276  350.948   15.304   49.231   1.0796   51.041   1.1163 -1.809959 1.552999 
1 1 1   15   14   31 o   50.046   0.8406  336.978   11.299  334.168   16.830  339.283   15.247   49.781   1.2587   50.180   1.1312 -0.3993149 1.692350 
1 1 1   15   14   32 o   35.728   0.8535  171.770   8.1901  180.892   11.747  163.143   11.425   36.630   1.1940   34.783   1.2229 1.846748 1.709106 
1 1 1   15   14   33 o   25.310   1.0259   86.289   6.9740   78.902   8.9358   97.802   11.155   24.133   1.3843   26.849   1.5534 -2.715878 2.080758 
1 1 1   15   14   34 o   9.9686   2.2181   14.065   5.7858   12.780   7.1487   16.505   9.8511   9.5195   2.6815   10.817   3.1797 -1.297444 4.159436 
1 1 1   15   14   35 o   70.869   0.8503  676.086   16.185  681.755   19.861  664.880   27.925   71.124   1.0397   70.110   1.4830 1.013733 1.811101 
1 1 1   15   14   36 o   48.857   0.7721  321.239   10.132  315.610   12.584  331.611   17.083   48.398   0.9681   49.547   1.2836 -1.149582 1.607766 
1 1 1   15   14   37 o   47.261   0.8443  300.776   10.717  288.080   13.007  327.622   18.913   46.219   1.0478   49.201   1.4312 -2.981689 1.773754 
1 1 1   15   14   38 o   51.589   0.7557  358.239   10.471  381.373   13.825  327.113   16.036   53.190   0.9677   49.208   1.2133 3.981541 1.551953 
1 1 1   15   14   39 o   9.3102   2.1592   12.329   5.2947   14.449   6.3916   7.6912   9.4520   10.057   2.3997   8.3696   3.1268 1.687244 3.941444 
1 1 1   15   14   40 o   10.393   2.0805   15.276   5.6052   12.921   6.8322   20.125   9.8033   9.5175   2.5993   11.790   3.0667 -2.272936 4.020061 
1 1 1   15   14   41 o   7.8603   2.3795   8.5739   5.4546   12.034   6.5922   1.0623   9.7130   9.1999   2.5692   7.0475   2.9797 2.152335 3.934433 
1 1 1   15   14   42 o   19.486   1.2913   51.583   6.7200   51.930   8.4826   50.999   11.012   19.484   1.6361   19.174   2.1768 0.3104076 2.723120 
1 1 1   15   14   43 o   25.505   1.0095   87.771   6.9158   89.489   8.6891   84.802   11.423   25.721   1.2578   24.904   1.7183 0.8167782 2.129440 
1 1 1   15   14   44 f   42.723   0.8333  245.969   9.5619  246.998   12.651  244.598   14.603   42.758   1.1016   42.506   1.2791 0.2523232 1.688060 
1 1 1   15   14   45 o   6.8403   2.9552  -0.3458   9.9326   0.4366   14.582  -1.0231   13.567   8.3231   3.5882   7.8463   3.4213 0.4768057 4.957884 
1 1 1   15   14   46 o   14.455   3.1020   30.717   11.683   35.484   14.993   23.349   18.641   15.343   3.6845   12.742   4.4387 2.601328 5.768679 
1 1 1   15   14   47 o   10.015   3.6136   13.200   12.447  -5.7197   17.383   33.103   17.829   8.1985   3.7040   14.552   4.2778 -6.353439 5.658526 
1 1 1   15   14   48 o   19.533   2.5815   54.805   13.212   56.461   19.304   53.345   18.120   19.094   3.8960   18.635   3.7500 0.4589176 5.407563 
1 1 1   15   14   49 o   22.157   2.2694   69.728   13.315   64.255   19.172   74.827   18.506   20.446   3.6239   22.419   3.1612 -1.973038 4.808948 
1 1 1   15   14   50 o   15.879   5.2334   45.570   25.887   0.0000   0.0000   45.570   25.887  ?   ?    15.879   5.2334 0.000000 5.233417 
1 1 1   15   14   51 o   12.781   4.8798   27.150   23.310   0.0000   0.0000   27.150   23.310  ?   ?    12.781   4.8798 0.000000 4.879773 
1 1 1   15   15    0 o  130.472   1.9471  2289.96   68.235  2284.74   96.628  2295.14   96.369  130.212   2.7629  130.511   2.7492 -0.2981720 3.897607 
1 1 1   15   15    1 o  133.172   1.3966  2385.85   49.954  2375.54   70.531  2396.23   70.760  132.768   1.9778  133.346   1.9757 -0.5775299 2.795569 
1 1 1   15   15    2 o  116.140   1.1890  1813.74   37.089  1783.41   49.369  1853.03   56.194  115.107   1.5968  117.299   1.7836 -2.192169 2.393989 
1 1 1   15   15    3 o   74.099   0.8702  737.876   17.319  746.627   22.470  725.066   27.186   74.520   1.1226   73.415   1.3787 1.104973 1.777920 
1 1 1   15   15    4 o   93.221   0.9761  1168.07   24.441  1164.79   31.567  1172.96   38.619   93.063   1.2629   93.356   1.5401 -0.2929916 1.991706 
1 1 1   15   15    5 o   28.492   0.9919  109.117   7.5903  108.887   9.1750  109.615   13.511   28.456   1.2005   28.474   1.7755 -0.1794434E-01 2.143233 
1 1 1   15   15    6 o   86.272   0.9849  1000.46   22.823  983.779   27.640  1036.19   40.461   85.531   1.2032   87.719   1.7173 -2.187584 2.096864 
1 1 1   15   15    7 o   6.5870   2.2676   5.3074   4.8580   9.3831   6.5513   0.3285   7.2408   8.3744   2.6211   6.0870   2.5731 2.287391 3.673010 
1 1 1   15   15    8 o   46.546   0.7272  291.106   9.0915  288.218   12.839  294.010   12.875   46.303   1.0324   46.766   1.0250 -0.4632721 1.454824 
1 1 1   15   15    9 o   29.716   0.8018  118.659   6.3991  118.826   9.0523  118.493   9.0471   29.727   1.1337   29.685   1.1347 0.4171944E-01 1.604025 
1 1 1   15   15   10 o   51.203   0.7310  352.284   10.053  358.286   14.243  346.323   14.193   51.624   1.0272   50.754   1.0411 0.8699455 1.462541 
1 1 1   15   15   11 o   22.605   0.9397   68.688   5.7056   67.870   7.8992   69.581   8.2501   22.422   1.3174   22.700   1.3594 -0.2780647 1.893020 
1 1 1   15   15   12 o   37.616   0.8149  190.153   8.2332  188.846   10.551  192.188   13.166   37.478   1.0481   37.796   1.2969 -0.3184586 1.667517 
1 1 1   15   15   13 f   83.423   0.8414  935.332   18.853  948.987   26.664  921.680   26.661   83.998   1.1818   82.779   1.1991 1.219215 1.683649 
1 1 1   15   15   14 o   67.761   0.7723  617.040   14.055  612.537   19.686  621.721   20.074   67.491   1.0860   67.994   1.0992 -0.5029678 1.545183 
1 1 1   15   15   15 o   58.067   0.7730  453.136   12.055  476.223   17.782  433.499   16.399   59.505   1.1126   56.776   1.0754 2.729267 1.547358 
1 1 1   15   15   16 o   63.652   0.8286  544.565   14.167  539.553   19.548  550.109   20.559   63.333   1.1492   63.945   1.1970 -0.6121101 1.659352 
1 1 1   15   15   17 o   50.561   0.8088  343.606   10.984  344.285   16.773  343.096   14.534   50.582   1.2346   50.507   1.0714 0.7500076E-01 1.634638 
1 1 1   15   15   18 o   43.390   0.8395  253.084   9.7838  237.720   15.347  263.604   12.699   42.019   1.3598   44.269   1.0680 -2.250080 1.729062 
1 1 1   15   15   19 o   82.393   0.8871  912.739   19.631  913.351   29.252  912.238   26.480   82.363   1.3223   82.332   1.1974 0.3124237E-01 1.783921 
1 1 1   15   15   20 o   48.487   0.8539  316.086   11.120  329.733   18.287  308.078   14.008   49.477   1.3761   47.851   1.0899 1.625790 1.755404 
1 1 1   15   15   21 o   58.305   0.7972  457.034   12.484  470.124   16.808  440.926   18.646   59.110   1.0587   57.228   1.2130 1.881966 1.610041 
1 1 1   15   15   22 o   26.378   0.9179   93.585   6.5029   87.749   8.7485  100.790   9.7212   25.524   1.2761   27.352   1.3232 -1.828018 1.838344 
1 1 1   15   15   23 o   12.390   1.5553   21.036   5.0621   25.287   6.6155   15.031   7.8627   13.551   1.8672   10.326   2.7753 3.224871 3.344923 
1 1 1   15   15   24 o   23.322   0.9943   73.194   6.2282   68.142   7.9473   81.236   10.027   22.446   1.3241   24.487   1.5322 -2.041708 2.025075 
1 1 1   15   15   25 o   39.235   0.8258  207.051   8.7028  216.003   12.470  198.551   12.151   40.045   1.1594   38.391   1.1784 1.653629 1.653136 
1 1 1   15   15   26 o   36.025   1.0189  174.715   9.8585  177.160   14.633  172.682   13.341   36.224   1.5039   35.778   1.3883 0.4468269 2.046741 
1 1 1   15   15   27 o   65.718   0.8663  581.077   15.292  587.859   23.531  576.120   20.120   66.018   1.3270   65.392   1.1455 0.6264420 1.753081 
1 1 1   15   15   28 o   21.173   1.1999   60.617   6.7954   55.365   9.3366   66.532   9.9091   20.153   1.7421   22.115   1.6808 -1.962845 2.420696 
1 1 1   15   15   29 o   52.761   1.0274  374.893   14.560  386.511   21.472  365.005   19.809   53.489   1.4946   51.995   1.4184 1.494049 2.060539 
1 1 1   15   15   30 o   29.052   1.0084  113.671   7.8684  112.000   10.615  115.708   11.723   28.803   1.3721   29.224   1.4985 -0.4206257 2.031765 
1 1 1   15   15   31 o   5.5841   2.2265   2.1892   5.0256   3.2101   5.7207  -1.2620   10.519   6.1534   2.3992   6.9686   3.0258 -0.8151789 3.861568 
1 1 1   15   15   32 o   12.711   1.3600   22.066   4.5709   26.226   5.2180   8.3469   9.4764   13.860   1.4218   8.5775   3.1442 5.282352 3.450712 
1 1 1   15   15   33 f   32.007   0.8253  137.889   7.0951  144.696   8.9660  126.486   11.605   32.768   1.0187   30.589   1.4125 2.179255 1.741512 
1 1 1   15   15   34 o   33.442   0.8105  150.541   7.2805  138.776   8.9884  172.984   12.414   32.084   1.0430   35.785   1.2916 -3.700199 1.660187 
1 1 1   15   15   35 o   34.234   0.8080  157.784   7.4299  159.114   9.2768  155.404   12.408   34.355   1.0053   33.898   1.3628 0.4572296 1.693539 
1 1 1   15   15   36 o   39.299   0.9874  208.230   10.422  223.174   15.364  195.492   14.185   40.603   1.4088   38.005   1.3896 2.597347 1.978810 
1 1 1   15   15   37 o   30.988   1.0860  129.602   9.0386  151.869   14.778  116.295   11.425   33.437   1.6455   29.297   1.4519 4.140253 2.194466 
1 1 1   15   15   38 o   10.129   2.6137   14.716   7.1586   14.763   11.292   14.684   9.2560   10.407   3.4578   10.194   3.1028 0.2130013 4.645815 
1 1 1   15   15   39 o   39.613   1.0362  211.748   11.025  213.566   18.633  210.769   13.677   39.608   1.7515   39.470   1.2901 0.1381607 2.175316 
1 1 1   15   15   40 o   46.947   1.0465  297.453   13.196  304.057   26.746  295.328   15.170   47.112   2.1137   46.741   1.2084 0.3704376 2.434693 
1 1 1   15   15   41 o   6.8748   2.7021   4.0183   7.3039  -0.8237   11.689   7.1198   9.3551   7.3582   3.1923   8.1939   3.1002 -0.8357282 4.449962 
1 1 1   15   15   42 o   25.465   1.2666   87.762   8.6635   81.588   13.909   91.675   11.074   24.288   2.1544   25.920   1.5985 -1.631969 2.682616 
1 1 1   15   15   43 o   10.099   2.9914   14.606   8.6903   12.376   14.979   15.737   10.669   10.368   3.9229   10.548   3.3506 -0.1801891 5.159060 
1 1 1   15   15   44 o   38.155   1.4202  197.785   14.554  195.965   21.562  199.309   19.726   37.648   2.1412   38.069   1.9355 -0.4200935 2.886354 
1 1 1   15   15   45 o   13.858   3.1028   28.369   11.262   25.892   15.634   31.041   16.236   13.089   4.0412   14.224   4.0531 -1.135180 5.723561 
1 1 1   15   15   46 o   15.460   3.1878   35.591   12.797   22.299   18.289   48.341   17.913   12.365   4.3892   17.721   3.8717 -5.356502 5.852777 
1 1 1   15   15   47 o   10.878   3.6054   17.462   12.280   6.1780   17.324   28.856   17.409   9.5220   4.0002   13.495   4.2794 -3.972769 5.857837 
1 1 1   15   15   48 o   7.5267   3.2533   0.9811   12.050 -10.3533   17.147   12.041   16.938   7.5423   3.5061   10.229   4.0848 -2.686696 5.383117 
1 1 1   15   15   49 o   20.653   3.4650   66.017   18.540   0.0000   0.0000   66.017   18.540  ?   ?    20.653   3.4650 0.000000 3.464982 
1 1 1   15   15   50 o   10.562   4.5561   10.200   23.537   0.0000   0.0000   10.200   23.537  ?   ?    10.562   4.5561 0.000000 4.556132 
1 1 1   16    0  -57 o   5.2148   3.6754 -18.9852   20.395 -18.9852   20.395 -18.9852   20.395   5.2148   3.6754   5.2148   3.6754 0.000000 0.000000 
1 1 1   16    0  -56 o   26.981   2.6248  104.041   18.608  104.041   18.608  104.041   18.608   26.981   2.6248   26.981   2.6248 -0.000000 0.000000 
1 1 1   16    0  -55 o   5.8453   3.4898   5.5609   9.6898   5.5609   9.6898   5.5609   9.6898   5.8453   3.4898   5.8453   3.4898 -0.000000 0.000000 
1 1 1   16    0  -54 o   50.750   1.3962  349.195   18.999  349.195   18.999  349.195   18.999   50.750   1.3962   50.750   1.3962 -0.000000 0.000000 
1 1 1   16    0  -53 o   5.5811   3.3522   4.6460   9.0501   4.6460   9.0501   4.6460   9.0501   5.5811   3.3522   5.5811   3.3522 -0.000000 0.000000 
1 1 1   16    0  -52 o   52.295   1.3282  369.866   18.628  369.866   18.628  369.866   18.628   52.295   1.3282   52.295   1.3282 -0.000000 0.000000 
1 1 1   16    0  -51 o   12.120   3.3465   24.180   9.4215   24.180   9.4215   24.180   9.4215   12.120   3.3465   12.120   3.3465 0.000000 0.000000 
1 1 1   16    0  -50 o   21.422   2.0410   63.940   11.498   63.940   11.498   63.940   11.498   21.422   2.0410   21.422   2.0410 -0.000000 0.000000 
1 1 1   16    0  -49 o   4.7565   3.0087   1.4051   8.2450   1.4051   8.2450   1.4051   8.2450   4.7565   3.0087   4.7565   3.0087 0.000000 0.000000 
1 1 1   16    0  -48 o   26.434   1.4472   95.129   10.205   95.129   10.205   95.129   10.205   26.434   1.4472   26.434   1.4472 -0.000000 0.000000 
1 1 1   16    0  -47 o   14.973   2.2746   32.406   8.5222   32.406   8.5222   32.406   8.5222   14.973   2.2746   14.973   2.2746 -0.000000 0.000000 
1 1 1   16    0  -46 o   3.4814   2.4030  -5.7461   7.5421  -5.7461   7.5421  -5.7461   7.5421   3.4814   2.4030   3.4814   2.4030 0.000000 0.000000 
1 1 1   16    0  -45 o   46.259   1.1274  288.492   13.989  288.492   13.989  288.492   13.989   46.259   1.1274   46.259   1.1274 0.000000 0.000000 
1 1 1   16    0  -44 f   3.7111   2.5413  -5.1946   8.0552  -5.1946   8.0552  -5.1946   8.0552   3.7111   2.5413   3.7111   2.5413 0.000000 0.000000 
1 1 1   16    0  -43 o   31.354   1.5286  133.379   12.803  133.379   12.803  133.379   12.803   31.354   1.5286   31.354   1.5286 -0.000000 0.000000 
1 1 1   16    0  -42 o   9.6974   3.1210   16.127   7.1759   16.127   7.1759   16.127   7.1759   9.6974   3.1210   9.6974   3.1210 0.000000 0.000000 
1 1 1   16    0  -41 o   12.061   2.8136   22.580   7.9244   22.580   7.9244   22.580   7.9244   12.061   2.8136   12.061   2.8136 0.000000 0.000000 
1 1 1   16    0  -40 o   5.4648   3.1195   5.2251   7.1916   5.2251   7.1916   5.2251   7.1916   5.4648   3.1195   5.4648   3.1195 0.000000 0.000000 
1 1 1   16    0  -39 o   65.289   1.2403  573.892   21.732  573.892   21.732  573.892   21.732   65.289   1.2403   65.289   1.2403 -0.000000 0.000000 
1 1 1   16    0  -38 o   8.8607   3.5373   14.683   8.1537   14.683   8.1537   14.683   8.1537   8.8607   3.5373   8.8607   3.5373 0.000000 0.000000 
1 1 1   16    0  -37 o   53.727   1.0315  388.366   14.873  388.366   14.873  388.366   14.873   53.727   1.0315   53.727   1.0315 0.000000 0.000000 
1 1 1   16    0  -36 o   59.689   1.6206  480.272   25.938  480.272   25.938  480.272   25.938   59.689   1.6206   59.689   1.6206 0.000000 0.000000 
1 1 1   16    0  -35 o   99.059   1.3080  1319.66   34.788  1319.66   34.788  1319.66   34.788   99.059   1.3080   99.059   1.3080 -0.000000 0.000000 
1 1 1   16    0  -34 o   69.183   1.0847  643.607   20.146  643.607   20.146  643.607   20.146   69.183   1.0847   69.183   1.0847 0.000000 0.000000 
1 1 1   16    0  -33 o   4.3025   2.4603   3.1772   4.4840   3.1772   4.4840   3.1772   4.4840   4.3025   2.4603   4.3025   2.4603 0.000000 0.000000 
1 1 1   16    0  -32 o   26.371   1.1441   93.969   8.0694   93.969   8.0694   93.969   8.0694   26.371   1.1441   26.371   1.1441 0.000000 0.000000 
1 1 1   16    0  -31 o   59.897   1.3556  482.849   21.783  482.849   21.783  482.849   21.783   59.897   1.3556   59.897   1.3556 0.000000 0.000000 
1 1 1   16    0  -30 o   9.5922   3.9109   17.299   9.9057   17.299   9.9057   17.299   9.9057   9.5922   3.9109   9.5922   3.9109 -0.000000 0.000000 
1 1 1   16    0  -29 o   96.607   1.6070  1255.30   41.672  1255.30   41.672  1255.30   41.672   96.607   1.6070   96.607   1.6070 -0.000000 0.000000 
1 1 1   16    0  -28 o   87.207   1.7332  1023.25   40.559  1023.25   40.559  1023.25   40.559   87.207   1.7332   87.207   1.7332 0.000000 0.000000 
1 1 1   16    0  -27 o   72.027   1.9784  698.839   38.208  698.839   38.208  698.839   38.208   72.027   1.9784   72.027   1.9784 -0.000000 0.000000 
1 1 1   16    0  -26 o  136.477   2.0259  2504.83   74.225  2504.83   74.225  2504.83   74.225  136.477   2.0259  136.477   2.0259 0.000000 0.000000 
1 1 1   16    0  -25 o   90.637   1.5438  1104.60   37.558  1104.60   37.558  1104.60   37.558   90.637   1.5438   90.637   1.5438 -0.000000 0.000000 
1 1 1   16    0  -24 o  103.574   1.6617  1442.30   46.200  1442.30   46.200  1442.30   46.200  103.574   1.6617  103.574   1.6617 -0.000000 0.000000 
1 1 1   16    0  -23 o  363.311   4.8966 17786.88  477.626 17786.88  477.626 17786.88  477.626  363.311   4.8966  363.311   4.8966 -0.000000 0.000000 
1 1 1   16    0  -22 o   31.311   1.5650  132.682   13.086  132.682   13.086  132.682   13.086   31.311   1.5650   31.311   1.5650 -0.000000 0.000000 
1 1 1   16    0  -21 o   64.841   1.3392  565.455   23.301  565.455   23.301  565.455   23.301   64.841   1.3392   64.841   1.3392 -0.000000 0.000000 
1 1 1   16    0  -20 o  180.158   2.5397  4363.90  122.836  4363.90  122.836  4363.90  122.836  180.158   2.5397  180.158   2.5397 0.000000 0.000000 
1 1 1   16    0  -19 o  507.404   6.7889 34721.45  924.851 34721.45  924.851 34721.45  924.851  507.404   6.7889  507.404   6.7889 -0.000000 0.000000 
1 1 1   16    0  -18 o  261.123   3.5604  9170.65  249.605  9170.65  249.605  9170.65  249.605  261.123   3.5604  261.123   3.5604 -0.000000 0.000000 
1 1 1   16    0  -17 o  208.087   2.8843  5821.69  161.135  5821.69  161.135  5821.69  161.135  208.087   2.8843  208.087   2.8843 -0.000000 0.000000 
1 1 1   16    0  -16 o   25.813   2.2549   91.541   15.359   91.541   15.359   91.541   15.359   25.813   2.2549   25.813   2.2549 -0.000000 0.000000 
1 1 1   16    0  -15 o  205.884   3.3014  5700.79  182.458  5700.79  182.458  5700.79  182.458  205.884   3.3014  205.884   3.3014 0.000000 0.000000 
1 1 1   16    0  -14 o   30.720   1.3959  127.533   11.464  127.533   11.464  127.533   11.464   30.720   1.3959   30.720   1.3959 -0.000000 0.000000 
1 1 1   16    0  -13 o  136.020   1.9959  2486.82   72.883  2486.82   72.883  2486.82   72.883  136.020   1.9959  136.020   1.9959 -0.000000 0.000000 
1 1 1   16    0  -12 o   47.192   1.2143  299.708   15.369  299.708   15.369  299.708   15.369   47.192   1.2143   47.192   1.2143 -0.000000 0.000000 
1 1 1   16    0  -11 o  104.840   1.6410  1477.39   46.183  1477.39   46.183  1477.39   46.183  104.840   1.6410  104.840   1.6410 -0.000000 0.000000 
1 1 1   16    0  -10 o   14.734   1.3789   29.915   5.3469   29.915   5.3469   29.915   5.3469   14.734   1.3789   14.734   1.3789 -0.000000 0.000000 
1 1 1   16    0   -9 o  101.632   1.4239  1388.12   38.851  1388.12   38.851  1388.12   38.851  101.632   1.4239  101.632   1.4239 -0.000000 0.000000 
1 1 1   16    0   -8 f  388.345   5.2060 20292.43  542.794 20292.43  542.794 20292.43  542.794  388.345   5.2060  388.345   5.2060 -0.000000 0.000000 
1 1 1   16    0   -7 o  118.781   2.0361  1896.82   64.916  1896.82   64.916  1896.82   64.916  118.781   2.0361  118.781   2.0361 0.000000 0.000000 
1 1 1   16    0   -6 o   14.807   2.5688   31.980   9.2945   31.980   9.2945   31.980   9.2945   14.807   2.5688   14.807   2.5688 -0.000000 0.000000 
1 1 1   16    0   -5 o  397.697   4.3476 21267.63  464.274 21267.63  464.274 21267.63  464.274  397.697   4.3476  397.697   4.3476 0.000000 0.000000 
1 1 1   16    0   -4 o  345.325   3.7887 16031.38  351.312 16031.38  351.312 16031.38  351.312  345.325   3.7887  345.325   3.7887 -0.000000 0.000000 
1 1 1   16    0   -3 o  116.068   1.5625  1810.41   48.692  1810.41   48.692  1810.41   48.692  116.068   1.5625  116.068   1.5625 0.000000 0.000000 
1 1 1   16    0   -2 o  124.653   1.6519  2088.10   55.284  2088.10   55.284  2088.10   55.284  124.653   1.6519  124.653   1.6519 0.000000 0.000000 
1 1 1   16    0   -1 o   65.102   1.1169  569.714   19.517  569.714   19.517  569.714   19.517   65.102   1.1169   65.102   1.1169 -0.000000 0.000000 
1 1 1   16    0    0 o  154.984   1.9748  3227.94   82.178  3227.94   82.178  3227.94   82.178  154.984   1.9748  154.984   1.9748 -0.000000 0.000000 
1 1 1   16    0    1 o  316.750   3.4841 13486.32  296.337 13486.32  296.337 13486.32  296.337  316.750   3.4841  316.750   3.4841 0.000000 0.000000 
1 1 1   16    0    2 o   51.325   0.9364  354.131   12.898  354.131   12.898  354.131   12.898   51.325   0.9364   51.325   0.9364 0.000000 0.000000 
1 1 1   16    0    3 o  179.704   2.2462  4339.94  108.379  4339.94  108.379  4339.94  108.379  179.704   2.2462  179.704   2.2462 -0.000000 0.000000 
1 1 1   16    0    4 o   21.302   1.1389   61.467   6.4738   61.467   6.4738   61.467   6.4738   21.302   1.1389   21.302   1.1389 0.000000 0.000000 
1 1 1   16    0    5 o   24.163   1.2075   78.998   7.7919   78.998   7.7919   78.998   7.7919   24.163   1.2075   24.163   1.2075 0.000000 0.000000 
1 1 1   16    0    6 o  152.227   1.9438  3114.12   79.446  3114.12   79.446  3114.12   79.446  152.227   1.9438  152.227   1.9438 -0.000000 0.000000 
1 1 1   16    0    7 o   96.915   1.2552  1262.10   32.660  1262.10   32.660  1262.10   32.660   96.915   1.2552   96.915   1.2552 0.000000 0.000000 
1 1 1   16    0    8 f  131.127   1.7226  2310.66   60.646  2310.66   60.646  2310.66   60.646  131.127   1.7226  131.127   1.7226 0.000000 0.000000 
1 1 1   16    0    9 o  312.968   4.8815 13180.10  410.113 13180.10  410.113 13180.10  410.113  312.968   4.8815  312.968   4.8815 -0.000000 0.000000 
1 1 1   16    0   10 o   60.907   1.2190  498.826   19.924  498.826   19.924  498.826   19.924   60.907   1.2190   60.907   1.2190 0.000000 0.000000 
1 1 1   16    0   11 o   19.907   1.5680   54.213   8.2644   54.213   8.2644   54.213   8.2644   19.907   1.5680   19.907   1.5680 0.000000 0.000000 
1 1 1   16    0   12 o  237.462   2.6515  7578.48  169.066  7578.48  169.066  7578.48  169.066  237.462   2.6515  237.462   2.6515 0.000000 0.000000 
1 1 1   16    0   13 o  108.367   1.4920  1578.17   43.407  1578.17   43.407  1578.17   43.407  108.367   1.4920  108.367   1.4920 0.000000 0.000000 
1 1 1   16    0   14 o  157.864   1.8366  3348.81   77.848  3348.81   77.848  3348.81   77.848  157.864   1.8366  157.864   1.8366 0.000000 0.000000 
1 1 1   16    0   15 o   73.742   1.1969  730.927   23.692  730.927   23.692  730.927   23.692   73.742   1.1969   73.742   1.1969 0.000000 0.000000 
1 1 1   16    0   16 o   24.443   1.2847   80.906   8.3810   80.906   8.3810   80.906   8.3810   24.443   1.2847   24.443   1.2847 -0.000000 0.000000 
1 1 1   16    0   17 o   64.788   1.1438  564.282   19.890  564.282   19.890  564.282   19.890   64.788   1.1438   64.788   1.1438 0.000000 0.000000 
1 1 1   16    0   18 o  195.879   2.4335  5157.38  127.983  5157.38  127.983  5157.38  127.983  195.879   2.4335  195.879   2.4335 -0.000000 0.000000 
1 1 1   16    0   19 o  204.907   2.5360  5644.14  139.524  5644.14  139.524  5644.14  139.524  204.907   2.5360  204.907   2.5360 -0.000000 0.000000 
1 1 1   16    0   20 o   23.335   1.4243   73.953   8.8505   73.953   8.8505   73.953   8.8505   23.335   1.4243   23.335   1.4243 -0.000000 0.000000 
1 1 1   16    0   21 o   92.124   1.3474  1140.69   33.324  1140.69   33.324  1140.69   33.324   92.124   1.3474   92.124   1.3474 -0.000000 0.000000 
1 1 1   16    0   22 o   17.972   1.8699   44.787   8.8026   44.787   8.8026   44.787   8.8026   17.972   1.8699   17.972   1.8699 0.000000 0.000000 
1 1 1   16    0   23 o  127.238   1.9077  2176.59   65.162  2176.59   65.162  2176.59   65.162  127.238   1.9077  127.238   1.9077 -0.000000 0.000000 
1 1 1   16    0   24 o  259.396   3.1653  9052.51  220.455  9052.51  220.455  9052.51  220.455  259.396   3.1653  259.396   3.1653 0.000000 0.000000 
1 1 1   16    0   25 o  113.501   1.7342  1732.07   52.839  1732.07   52.839  1732.07   52.839  113.501   1.7342  113.501   1.7342 0.000000 0.000000 
1 1 1   16    0   26 o   90.362   1.5072  1097.93   36.557  1097.93   36.557  1097.93   36.557   90.362   1.5072   90.362   1.5072 -0.000000 0.000000 
1 1 1   16    0   27 o  138.966   1.8266  2596.56   68.152  2596.56   68.152  2596.56   68.152  138.966   1.8266  138.966   1.8266 -0.000000 0.000000 
1 1 1   16    0   28 o   54.040   1.1491  392.846   16.661  392.846   16.661  392.846   16.661   54.040   1.1491   54.040   1.1491 -0.000000 0.000000 
1 1 1   16    0   29 o   11.575   2.6182   20.548   7.0994   20.548   7.0994   20.548   7.0994   11.575   2.6182   11.575   2.6182 -0.000000 0.000000 
1 1 1   16    0   30 o   27.042   1.4002   99.054   10.108   99.054   10.108   99.054   10.108   27.042   1.4002   27.042   1.4002 -0.000000 0.000000 
1 1 1   16    0   31 o   40.022   1.2875  215.895   13.808  215.895   13.808  215.895   13.808   40.022   1.2875   40.022   1.2875 -0.000000 0.000000 
1 1 1   16    0   32 o   82.038   1.4370  905.385   31.642  905.385   31.642  905.385   31.642   82.038   1.4370   82.038   1.4370 -0.000000 0.000000 
1 1 1   16    0   33 o  115.774   1.6036  1803.04   49.845  1803.04   49.845  1803.04   49.845  115.774   1.6036  115.774   1.6036 -0.000000 0.000000 
1 1 1   16    0   34 o   25.329   1.3097   86.916   8.8555   86.916   8.8555   86.916   8.8555   25.329   1.3097   25.329   1.3097 -0.000000 0.000000 
1 1 1   16    0   35 o   74.016   1.1468  736.765   22.786  736.765   22.786  736.765   22.786   74.016   1.1468   74.016   1.1468 -0.000000 0.000000 
1 1 1   16    0   36 o   88.205   1.2428  1046.41   29.430  1046.41   29.430  1046.41   29.430   88.205   1.2428   88.205   1.2428 -0.000000 0.000000 
1 1 1   16    0   37 o   12.460   2.5700   23.394   7.5944   23.394   7.5944   23.394   7.5944   12.460   2.5700   12.460   2.5700 -0.000000 0.000000 
1 1 1   16    0   38 o   49.493   1.0938  329.756   14.524  329.756   14.524  329.756   14.524   49.493   1.0938   49.493   1.0938 0.000000 0.000000 
1 1 1   16    0   39 o   4.4209   2.8055   0.8771   7.2341   0.8771   7.2341   0.8771   7.2341   4.4209   2.8055   4.4209   2.8055 -0.000000 0.000000 
1 1 1   16    0   40 o   3.9622   2.6256  -1.8723   7.3564  -1.8723   7.3564  -1.8723   7.3564   3.9622   2.6256   3.9622   2.6256 0.000000 0.000000 
1 1 1   16    0   41 o   76.892   1.1989  795.913   24.748  795.913   24.748  795.913   24.748   76.892   1.1989   76.892   1.1989 0.000000 0.000000 
1 1 1   16    0   42 o   98.442   1.8621  1308.54   49.196  1308.54   49.196  1308.54   49.196   98.442   1.8621   98.442   1.8621 0.000000 0.000000 
1 1 1   16    0   43 o   91.559   1.4040  1129.64   34.509  1129.64   34.509  1129.64   34.509   91.559   1.4040   91.559   1.4040 0.000000 0.000000 
1 1 1   16    0   44 f   23.380   1.5611   74.647   9.7031   74.647   9.7031   74.647   9.7031   23.380   1.5611   23.380   1.5611 0.000000 0.000000 
1 1 1   16    0   45 o   33.180   1.2999  148.936   11.544  148.936   11.544  148.936   11.544   33.180   1.2999   33.180   1.2999 -0.000000 0.000000 
1 1 1   16    0   46 o   20.472   2.3819   59.082   12.634   59.082   12.634   59.082   12.634   20.472   2.3819   20.472   2.3819 -0.000000 0.000000 
1 1 1   16    0   47 o   50.507   1.3061  344.484   17.691  344.484   17.691  344.484   17.691   50.507   1.3061   50.507   1.3061 0.000000 0.000000 
1 1 1   16    0   48 o   86.159   1.2624  1001.25   29.200  1001.25   29.200  1001.25   29.200   86.159   1.2624   86.159   1.2624 0.000000 0.000000 
1 1 1   16    0   49 o   28.227   1.3084  108.144   9.8710  108.144   9.8710  108.144   9.8710   28.227   1.3084   28.227   1.3084 -0.000000 0.000000 
1 1 1   16    0   50 o   11.748   3.5391   23.406   9.7365   23.406   9.7365   23.406   9.7365   11.748   3.5391   11.748   3.5391 -0.000000 0.000000 
1 1 1   16    0   51 o   5.5123   3.3347   4.2290   9.0849   4.2290   9.0849   4.2290   9.0849   5.5123   3.3347   5.5123   3.3347 0.000000 0.000000 
1 1 1   16    0   52 o   13.830   3.0807   29.741   9.9984   29.741   9.9984   29.741   9.9984   13.830   3.0807   13.830   3.0807 -0.000000 0.000000 
1 1 1   16    0   53 o   3.5445   2.4984 -10.6226   9.4289 -10.6226   9.4289 -10.6226   9.4289   3.5445   2.4984   3.5445   2.4984 -0.000000 0.000000 
1 1 1   16    0   54 o   7.0517   4.2372   8.0660   14.472   8.0660   14.472   8.0660   14.472   7.0517   4.2372   7.0517   4.2372 0.000000 0.000000 
1 1 1   16    0   55 o   19.420   3.5030   57.612   16.506   57.612   16.506   57.612   16.506   19.420   3.5030   19.420   3.5030 0.000000 0.000000 
1 1 1   16    0   56 o   41.034   1.7532  231.139   19.243  231.139   19.243  231.139   19.243   41.034   1.7532   41.034   1.7532 0.000000 0.000000 
1 1 1   16    0   57 o   60.562   1.9975  507.104   32.412  507.104   32.412  507.104   32.412   60.562   1.9975   60.562   1.9975 0.000000 0.000000 
1 1 1   16    0   58 o   4.3810   3.0656 -11.2027   13.441 -11.2027   13.441 -11.2027   13.441   4.3810   3.0656   4.3810   3.0656 -0.000000 0.000000 
1 1 1   16    0   59 o   8.0375   4.2617   15.171   12.373   15.171   12.373   15.171   12.373   8.0375   4.2617   8.0375   4.2617 -0.000000 0.000000 
1 1 1   16    1  -57 o   19.459   3.3475   55.957   16.865   52.018   20.756   63.610   28.931   18.238   4.3062   19.535   5.3545 -1.297127 6.871233 
1 1 1   16    1  -56 o   51.529   1.5187  361.444   21.019  315.472   35.367  386.547   26.135   47.317   2.7953   53.127   1.8315 -5.809654 3.341859 
1 1 1   16    1  -55 o   26.301   1.5086   94.257   10.613   91.689   15.096   96.765   14.922   25.730   2.2057   26.469   2.1167 -0.7383385 3.057036 
1 1 1   16    1  -54 o   17.468   1.5514   41.713   7.2033   34.078   10.269   49.110   10.107   15.531   2.5503   18.856   2.0275 -3.325644 3.257991 
1 1 1   16    1  -53 o   6.0655   2.4999   1.6659   6.5815   5.8356   9.3552  -2.4202   9.2610   7.9304   3.0748   6.3133   2.7873 1.617102 4.150064 
1 1 1   16    1  -52 o   23.602   1.1985   75.362   7.5727   80.932   10.605   69.566   10.817   24.387   1.6284   22.567   1.7996 1.819466 2.426981 
1 1 1   16    1  -51 o   14.994   1.7140   30.861   6.7786   15.224   9.4763   47.246   9.7005   10.420   3.1323   18.539   1.9787 -8.118946 3.704911 
1 1 1   16    1  -50 o   19.200   1.3112   50.002   6.7212   53.443   9.3074   46.251   9.7163   19.774   1.7712   18.337   2.0055 1.437216 2.675680 
1 1 1   16    1  -49 o   41.791   1.0229  235.300   11.482  256.214   18.372  221.897   14.708   43.513   1.5720   40.534   1.3509 2.978519 2.072682 
1 1 1   16    1  -48 o   29.636   0.9850  118.288   7.8406  122.478   12.054  115.215   10.323   30.100   1.4909   29.215   1.3155 0.8849106 1.988325 
1 1 1   16    1  -47 o   14.695   1.5355   29.500   5.9708   32.988   8.4536   26.029   8.4345   15.444   2.0918   13.623   2.3924 1.820753 3.177858 
1 1 1   16    1  -46 o   32.618   0.8709  143.158   7.6296  145.622   10.704  140.613   10.878   32.868   1.2125   32.294   1.2541 0.5742912 1.744380 
1 1 1   16    1  -45 o   46.895   0.8809  295.860   11.095  296.322   15.534  295.378   15.853   46.892   1.2334   46.813   1.2608 0.7841110E-01 1.763777 
1 1 1   16    1  -44 o   28.582   0.9013  109.900   6.9193  110.494   9.7085  109.288   9.8641   28.636   1.2623   28.477   1.2896 0.1588383 1.804574 
1 1 1   16    1  -43 o   56.293   0.9961  426.401   15.061  424.547   19.820  428.935   23.167   56.130   1.3147   56.386   1.5297 -0.2556152 2.017045 
1 1 1   16    1  -42 o   43.687   0.7967  256.610   9.3479  260.538   12.982  252.380   13.471   43.997   1.0986   43.297   1.1584 0.6996460 1.596493 
1 1 1   16    1  -41 o   57.333   0.8142  441.957   12.538  450.967   19.037  435.056   16.662   57.873   1.2247   56.858   1.0910 1.014812 1.640185 
1 1 1   16    1  -40 o   53.910   1.0183  390.956   14.745  384.025   21.483  397.129   20.275   53.378   1.4985   54.295   1.3903 -0.9167671 2.044111 
1 1 1   16    1  -39 o   46.622   0.8078  292.191   10.116  309.332   13.795  272.253   14.879   47.953   1.0711   44.975   1.2317 2.977890 1.632249 
1 1 1   16    1  -38 o   19.348   0.9526   50.334   4.9503   54.797   6.9908   45.846   7.0108   20.136   1.2995   18.397   1.4301 1.739149 1.932339 
1 1 1   16    1  -37 o   46.978   0.7211  296.563   9.0988  292.268   12.796  300.956   12.941   46.623   1.0218   47.311   1.0184 -0.6881256 1.442636 
1 1 1   16    1  -36 o   64.383   0.7541  557.005   13.040  564.701   18.530  549.456   18.353   64.808   1.0645   63.927   1.0689 0.8811150 1.508546 
1 1 1   16    1  -35 o   45.813   0.9939  282.115   12.230  306.168   17.559  259.452   17.044   47.707   1.3704   43.913   1.4451 3.794312 1.991527 
1 1 1   16    1  -34 o   48.125   0.7046  311.160   9.1079  303.010   12.698  319.797   13.072   47.481   0.9957   48.779   0.9977 -1.297421 1.409527 
1 1 1   16    1  -33 o   56.695   0.8162  431.888   12.429  426.550   20.596  434.945   15.587   56.319   1.3616   56.888   1.0201 -0.5686455 1.701332 
1 1 1   16    1  -32 o   45.638   1.1211  279.953   13.742  269.006   16.693  302.977   24.209   44.726   1.3895   47.439   1.9000 -2.712875 2.353869 
1 1 1   16    1  -31 o   91.978   1.4139  1137.59   34.931  1106.83   54.503  1159.03   45.505   90.640   2.2388   92.802   1.8256 -2.162361 2.888763 
1 1 1   16    1  -30 o   54.689   0.9461  401.867   13.897  384.709   19.243  420.571   20.091   53.494   1.3393   55.932   1.3374 -2.437885 1.892687 
1 1 1   16    1  -29 o   68.460   0.9791  629.723   18.004  629.912   25.622  629.539   25.304   68.452   1.3936   68.433   1.3767 0.1943970E-01 1.958878 
1 1 1   16    1  -28 o   71.792   0.9909  692.488   19.108  693.437   27.136  691.555   26.911   71.824   1.4067   71.727   1.3969 0.9704590E-01 1.982396 
1 1 1   16    1  -27 o  156.455   1.8479  3291.96   77.653  3316.88  134.643  3279.53   95.055  156.826   3.1965  156.104   2.2671 0.7222900 3.918815 
1 1 1   16    1  -26 f   42.434   1.3558  241.979   15.452  283.119   22.671  206.288   21.116   45.887   1.8395   39.112   2.0170 6.774605 2.729817 
1 1 1   16    1  -25 o  148.575   1.5290  2966.73   61.016  2897.49   85.145  3039.83   87.482  146.777   2.1598  150.338   2.1665 -3.561462 3.059145 
1 1 1   16    1  -24 o  166.468   1.6805  3724.50   75.137  3679.13  105.493  3771.21  107.044  165.385   2.3748  167.441   2.3802 -2.056030 3.362301 
1 1 1   16    1  -23 o   83.564   1.0428  938.034   23.405  966.037   33.529  911.419   32.687   84.790   1.4723   82.358   1.4777 2.431999 2.085902 
1 1 1   16    1  -22 o  149.544   1.5350  3004.92   61.655  2940.92   86.087  3072.31   88.344  147.904   2.1670  151.171   2.1758 -3.267242 3.070841 
1 1 1   16    1  -21 o   94.108   1.1068  1189.67   27.977  1205.35   39.873  1174.46   39.265   94.714   1.5674   93.493   1.5636 1.221634 2.213968 
1 1 1   16    1  -20 f  366.663   3.4869 18096.41  343.396 18215.46  487.658 17979.31  483.637  367.442   4.9412  365.056   4.9325 2.386627 6.981784 
1 1 1   16    1  -19 o  110.528   1.5398  1641.29   45.712  1654.10   72.269  1632.74   59.019  110.925   2.4257  110.225   1.9935 0.7001572 3.139729 
1 1 1   16    1  -18 o  119.580   1.2868  1920.87   41.329  1947.15   58.821  1895.25   58.081  120.380   1.8192  118.765   1.8208 1.615021 2.573875 
1 1 1   16    1  -17 o  264.851   2.5490  9429.50  181.325  9427.36  256.400  9431.64  256.466  264.691   3.6065  264.751   3.6066 -0.6002808E-01 5.100440 
1 1 1   16    1  -16 o  209.224   2.0476  5882.28  115.064  5852.35  162.192  5912.60  163.264  208.630   2.8944  209.700   2.8987 -1.070847 4.096335 
1 1 1   16    1  -15 o  279.641   3.7968 10522.24  285.177 10469.90  401.980 10575.28  404.637  278.673   5.3705  280.070   5.3791 -1.397186 7.601115 
1 1 1   16    1  -14 o  164.623   2.3395  3642.09  103.442  3396.60  140.184  3935.55  153.269  158.923   3.2841  171.064   3.3358 -12.14075 4.681159 
1 1 1   16    1  -13 o   30.720   0.9861  126.750   8.1362  135.854   11.531  117.726   11.481   31.802   1.3500   29.604   1.4440 2.198261 1.976744 
1 1 1   16    1  -12 o  197.565   1.9415  5244.21  103.026  5306.33  146.727  5183.79  144.697  198.686   2.7495  196.378   2.7433 2.307159 3.883991 
1 1 1   16    1  -11 o  171.598   1.6132  3955.67   74.351  3981.34  100.063  3924.03  111.096  172.132   2.1643  170.877   2.4206 1.255295 3.247078 
1 1 1   16    1  -10 o   92.578   0.8983  1151.12   22.336  1154.87   30.203  1146.61   33.183   92.725   1.2127   92.391   1.3372 0.3339691 1.805202 
1 1 1   16    1   -9 f  293.244   2.2871 11555.29  180.142 11416.10  252.761 11698.96  256.805  291.385   3.2296  294.972   3.2414 -3.586487 4.575692 
1 1 1   16    1   -8 o  209.312   1.6648  5885.55   93.595  5852.24  131.885  5919.34  132.848  208.686   2.3529  209.879   2.3566 -1.192673 3.330170 
1 1 1   16    1   -7 o   88.231   0.9102  1045.55   21.570  1028.63   27.706  1071.59   34.370   87.511   1.1787   89.317   1.4327 -1.805618 1.855252 
1 1 1   16    1   -6 o   79.993   1.1131  859.460   23.915  886.143   34.263  834.109   33.397   81.220   1.5706   78.799   1.5780 2.420815 2.226370 
1 1 1   16    1   -5 o  125.433   1.2320  2113.27   41.507  2110.75   62.129  2115.31   55.781  125.345   1.8454  125.484   1.6550 -0.1399231 2.478854 
1 1 1   16    1   -4 o  115.065   1.0944  1778.30   33.823  1758.03   53.039  1792.19   43.910  114.396   1.7262  115.508   1.4153 -1.111961 2.232254 
1 1 1   16    1   -3 o   92.846   1.0554  1157.82   26.318  1162.40   42.956  1155.07   33.300   93.020   1.7193   92.732   1.3370 0.2879486 2.177974 
1 1 1   16    1   -2 o  221.724   1.7558  6604.18  104.562  6653.16  148.618  6556.17  147.140  222.510   2.4867  220.883   2.4801 1.627472 3.512114 
1 1 1   16    1   -1 o  245.745   1.9327  8113.19  127.570  8170.71  181.222  8056.68  179.611  246.569   2.7364  244.842   2.7312 1.726395 3.866197 
1 1 1   16    1    0 o  321.259   2.4965 13868.82  215.415 13938.97  305.581 13799.53  303.713  321.970   3.5336  320.356   3.5297 1.614044 4.994516 
1 1 1   16    1    1 o  247.924   1.9489  8257.75  129.781  8293.16  184.076  8222.75  183.004  248.408   2.7589  247.351   2.7546 1.056412 3.898632 
1 1 1   16    1    2 o  184.902   1.4878  4592.39   73.888  4645.76  105.299  4540.62  103.705  185.952   2.1083  183.836   2.1003 2.116013 2.975919 
1 1 1   16    1    3 o   57.689   0.7480  446.962   11.590  454.960   16.579  439.319   16.208   58.201   1.0606   57.192   1.0551 1.009197 1.496038 
1 1 1   16    1    4 o  159.636   1.3066  3422.99   56.024  3413.79   79.091  3432.25   79.369  159.406   1.8473  159.837   1.8488 -0.4303131 2.613495 
1 1 1   16    1    5 o  176.593   1.4278  4188.96   67.722  4186.90   95.764  4191.02   95.783  176.530   2.0197  176.616   2.0191 -0.8674622E-01 2.855898 
1 1 1   16    1    6 o   70.515   0.7731  667.820   14.643  665.209   19.814  670.962   21.736   70.376   1.0483   70.678   1.1450 -0.3028336 1.552348 
1 1 1   16    1    7 o  329.094   2.6702 14556.32  236.025 14711.13  352.563 14430.59  317.727  330.679   3.9695  327.561   3.6114 3.118103 5.366464 
1 1 1   16    1    8 o   50.264   0.8819  339.318   11.906  340.943   15.754  337.154   18.180   50.382   1.1642   50.100   1.3510 0.2820663 1.783445 
1 1 1   16    1    9 f   48.147   0.6982  311.339   9.0295  314.886   13.462  308.439   12.174   48.419   1.0351   47.922   0.9458 0.4977646 1.402181 
1 1 1   16    1   10 o  148.596   1.5085  2966.15   60.207  2919.76   84.180  3014.72   86.144  147.411   2.1261  149.788   2.1412 -2.377213 3.017477 
1 1 1   16    1   11 o   88.738   0.9221  1057.60   21.977  1079.00   28.685  1027.19   34.195   89.628   1.1916   87.446   1.4559 2.181602 1.881365 
1 1 1   16    1   12 o  171.674   1.6110  3959.22   74.282  3953.81  111.299  3963.57   99.748  171.523   2.4159  171.747   2.1623 -0.2237396 3.242248 
1 1 1   16    1   13 o  102.157   1.0142  1401.69   27.828  1418.38   39.550  1385.33   39.162  102.756   1.4330  101.552   1.4358 1.204071 2.028533 
1 1 1   16    1   14 o  218.736   1.8147  6428.16  106.616  6406.81  143.980  6454.07  158.639  218.333   2.4552  219.120   2.6955 -0.7861481 3.646052 
1 1 1   16    1   15 o  289.548   2.2614 11266.86  175.866 11355.93  249.981 11179.58  247.462  290.589   3.2028  288.325   3.1955 2.264252 4.524293 
1 1 1   16    1   16 o  169.663   1.3831  3866.84   63.028  3834.65   88.659  3899.73   89.618  168.933   1.9540  170.360   1.9585 -1.427261 2.766569 
1 1 1   16    1   17 o  142.166   1.2449  2714.92   47.536  2701.07   70.300  2726.58   64.523  141.784   1.8460  142.458   1.6863 -0.6739655 2.500291 
1 1 1   16    1   18 o  103.249   1.0780  1431.92   29.896  1397.02   44.330  1461.04   40.490  101.971   1.6185  104.286   1.4455 -2.314880 2.170088 
1 1 1   16    1   19 o   60.333   0.7978  488.892   12.928  487.740   20.388  489.667   16.718   60.256   1.2597   60.378   1.0309 -0.1216660 1.627789 
1 1 1   16    1   20 f   97.014   0.9904  1264.18   25.808  1282.61   41.038  1252.13   33.193   97.705   1.5638   96.544   1.2801 1.160553 2.020891 
1 1 1   16    1   21 o  162.298   1.3932  3538.86   60.734  3488.12   89.250  3582.63   82.885  161.092   2.0627  163.271   1.8901 -2.179138 2.797704 
1 1 1   16    1   22 o  100.980   0.9306  1369.68   25.241  1355.05   35.472  1384.69   35.926  100.430   1.3150  101.522   1.3175 -1.092285 1.861484 
1 1 1   16    1   23 o  165.316   1.4191  3672.07   63.009  3748.05   86.267  3585.18   92.251  166.982   1.9235  163.298   2.1033 3.683167 2.850167 
1 1 1   16    1   24 o   74.536   0.9648  746.298   19.315  774.183   24.904  704.200   30.599   75.910   1.2215   72.388   1.5738 3.522255 1.992192 
1 1 1   16    1   25 o  118.967   1.0909  1901.44   34.857  1881.87   46.924  1925.53   52.065  118.335   1.4764  119.691   1.6195 -1.356293 2.191475 
1 1 1   16    1   26 f  115.058   1.1777  1778.73   36.395  1776.87   48.814  1781.06   54.612  114.974   1.5807  115.097   1.7666 -0.1224670 2.370555 
1 1 1   16    1   27 o   41.627   0.8099  232.774   9.0555  226.889   12.663  238.934   12.955   41.092   1.1474   42.169   1.1438 -1.076721 1.620077 
1 1 1   16    1   28 o   79.303   0.8586  844.867   18.289  831.628   24.533  861.427   27.438   78.668   1.1611   80.060   1.2760 -1.391769 1.725211 
1 1 1   16    1   29 o   9.6673   2.1539   13.078   5.4497   13.226   6.9442   12.841   8.7930   9.7397   2.6042   9.7821   3.0325 -0.4240990E-01 3.997195 
1 1 1   16    1   30 o  132.460   1.1884  2358.25   42.279  2341.21   56.955  2379.16   63.100  131.936   1.6072  132.980   1.7666 -1.044266 2.388353 
1 1 1   16    1   31 o   47.517   0.8334  303.360   10.636  303.796   16.024  303.017   14.221   47.538   1.2550   47.482   1.1151 0.5597305E-01 1.678797 
1 1 1   16    1   32 o   77.533   0.8590  807.702   17.889  806.602   26.593  808.611   24.178   77.456   1.2782   77.560   1.1606 -0.1040039 1.726542 
1 1 1   16    1   33 o   23.877   0.9905   76.620   6.3525   70.917   9.3671   81.476   8.6441   22.909   1.5311   24.580   1.3141 -1.671589 2.017708 
1 1 1   16    1   34 o   38.629   0.8113  200.500   8.4173  204.851   12.494  196.883   11.391   39.034   1.1917   38.270   1.1081 0.7636833 1.627289 
1 1 1   16    1   35 o   47.029   0.7550  297.178   9.5366  294.713   13.451  299.670   13.523   46.822   1.0696   47.214   1.0664 -0.3922386 1.510348 
1 1 1   16    1   36 o   26.767   0.9190   96.300   6.6074   92.187   9.3058  100.483   9.3831   26.143   1.3297   27.331   1.2782 -1.187977 1.844390 
1 1 1   16    1   37 o   20.628   1.0727   57.376   5.9228   54.906   8.3264   59.905   8.4266   20.133   1.5518   21.040   1.5010 -0.9072876 2.158901 
1 1 1   16    1   38 o   46.943   0.8575  296.223   10.812  284.740   15.177  308.057   15.406   46.001   1.2284   47.849   1.1987 -1.848679 1.716348 
1 1 1   16    1   39 o   45.464   0.7797  277.837   9.5217  272.597   13.372  283.227   13.562   45.013   1.1060   45.883   1.1005 -0.8696709 1.560208 
1 1 1   16    1   40 o   63.244   0.8419  537.766   14.301  545.706   21.590  531.559   19.089   63.663   1.2626   62.849   1.1308 0.8146248 1.694998 
1 1 1   16    1   41 o   35.856   0.9012  172.906   8.6796  173.191   12.499  172.640   12.062   35.859   1.2978   35.805   1.2542 0.5357361E-01 1.804798 
1 1 1   16    1   42 o   11.587   1.9234   18.629   5.7760   22.340   7.8877   14.337   8.4814   12.625   2.4141   10.146   2.9413 2.479451 3.805153 
1 1 1   16    1   43 o   24.815   1.1336   82.903   7.5556   90.007   9.6299   71.527   12.186   25.802   1.3947   22.903   2.0011 2.898752 2.439183 
1 1 1   16    1   44 o   48.545   0.8916  317.012   11.625  323.637   15.200  307.677   18.045   49.022   1.1544   47.765   1.4065 1.256451 1.819621 
1 1 1   16    1   45 o   30.222   1.1429  123.025   9.2775  134.378   11.374  100.455   16.037   31.567   1.3415   27.109   2.2220 4.458418 2.595575 
1 1 1   16    1   46 o   85.438   0.9860  982.721   22.627  977.112   31.427  988.757   32.605   85.096   1.3750   85.589   1.4183 -0.4925766 1.975423 
1 1 1   16    1   47 o   70.868   1.0183  676.416   19.383  668.238   29.402  682.701   25.777   70.304   1.5571   71.120   1.3494 -0.8158493 2.060419 
1 1 1   16    1   48 o   20.736   1.2593   58.226   6.9804   51.663   9.4429   66.132   10.365   19.434   1.8306   22.020   1.7673 -2.586353 2.544553 
1 1 1   16    1   49 o   9.2375   2.2523   12.097   5.5378   10.682   7.9877   13.406   7.6844   8.9331   2.9053   9.7534   2.7916 -0.8202763 4.029134 
1 1 1   16    1   50 o   14.277   1.6495   27.965   6.2088   28.096   9.5594   27.871   8.1657   14.098   2.6209   14.133   2.2247 -0.3422260E-01 3.437835 
1 1 1   16    1   51 o   12.917   2.0129   23.215   6.7559   19.970   9.7028   26.269   9.4123   11.801   3.0419   13.609   2.6704 -1.808075 4.047802 
1 1 1   16    1   52 o   16.565   1.7477   37.630   7.6586   27.979   11.615   45.053   10.187   13.936   3.1741   18.056   2.1423 -4.119955 3.829427 
1 1 1   16    1   53 o   10.789   2.5177   16.620   7.1628   26.349   10.151   6.9719   10.109   13.559   2.8763   8.3784   3.2100 5.181054 4.310163 
1 1 1   16    1   54 o   23.504   1.4672   75.151   9.2163   78.014   12.942   72.206   13.128   23.809   2.0436   22.866   2.1632 0.9433670 2.975861 
1 1 1   16    1   55 o   23.792   1.6179   77.355   10.278   90.243   13.615   60.283   15.670   25.595   1.9962   20.576   2.9171 5.019339 3.534742 
1 1 1   16    1   56 o   10.524   3.2213   15.959   9.9580   9.0649   14.756   21.725   13.494   9.6809   3.8294   12.150   3.7550 -2.468869 5.363207 
1 1 1   16    1   57 o   21.538   1.7158   63.938   9.8430   65.667   13.315   61.855   14.616   21.600   2.3322   20.808   2.6773 0.7919464 3.550613 
1 1 1   16    1   58 o   25.591   1.4510   89.705   9.9322  105.601   14.195   74.460   13.902   27.571   1.9290   22.972   2.2834 4.599339 2.989160 
1 1 1   16    1   59 o   21.493   1.8136   64.342   10.372   53.799   16.291   71.527   13.450   18.861   3.3380   22.454   2.2609 -3.592836 4.031551 
1 1 1   16    2  -57 o   30.576   2.7211  133.339   22.113  123.800   30.177  144.400   32.497   28.484   4.0594   30.821   4.0214 -2.337334 5.714056 
1 1 1   16    2  -56 o   32.429   2.1971  146.189   19.024  135.461   26.762  157.147   27.048   30.564   3.3131   33.103   3.0774 -2.538816 4.521860 
1 1 1   16    2  -55 o   36.055   1.5043  176.736   14.568  177.916   20.627  175.562   20.578   35.889   2.1498   35.646   2.1595 0.2434692 3.047130 
1 1 1   16    2  -54 o   8.4826   2.6492   9.9452   6.6969   25.124   9.5427  -4.7854   9.4007   13.215   2.7767   5.9898   2.7133 7.225693 3.882284 
1 1 1   16    2  -53 o   18.436   1.4376   46.292   7.0622   45.973   9.9333   46.619   10.042   18.238   2.0642   18.365   2.0721 -0.1271648 2.924804 
1 1 1   16    2  -52 o   20.742   1.3178   58.367   7.3037   60.934   10.203   55.669   10.460   21.102   1.8179   20.131   1.9594 0.9701405 2.672765 
1 1 1   16    2  -51 o   29.802   1.0524  119.716   8.4237  122.654   11.387  116.164   12.520   30.122   1.4074   29.244   1.6000 0.8781891 2.130886 
1 1 1   16    2  -50 o   22.532   1.1718   68.666   7.0675   67.917   9.8960   69.447   10.097   22.329   1.6620   22.578   1.6770 -0.2484474 2.361021 
1 1 1   16    2  -49 o   21.453   1.2602   62.329   7.2295   45.538   10.847   75.748   9.6974   18.130   2.2778   23.612   1.5375 -5.481596 2.748086 
1 1 1   16    2  -48 o   61.706   0.9051  512.639   15.000  503.048   21.129  522.386   21.299   61.047   1.2886   62.213   1.2747 -1.165703 1.812545 
1 1 1   16    2  -47 o   20.098   1.2450   54.697   6.6876   63.738   9.9038   47.120   9.0670   21.626   1.7192   18.551   1.8442 3.075012 2.521245 
1 1 1   16    2  -46 o   31.196   0.9255  130.995   7.7546  138.496   10.388  121.554   11.654   32.051   1.2067   30.001   1.4463 2.049847 1.883595 
1 1 1   16    2  -45 o   49.684   0.7883  332.013   10.519  337.456   14.827  326.497   14.927   50.053   1.1029   49.231   1.1289 0.8229103 1.578202 
1 1 1   16    2  -44 o   43.157   0.8235  250.513   9.5458  254.538   13.674  246.686   13.333   43.469   1.1711   42.795   1.1599 0.6745224 1.648338 
1 1 1   16    2  -43 o   45.006   0.9122  272.487   11.026  267.533   15.417  277.674   15.776   44.557   1.2883   45.393   1.2939 -0.8359604 1.825902 
1 1 1   16    2  -42 o   55.749   0.9837  418.171   14.730  413.355   23.686  421.208   18.810   55.343   1.5934   55.919   1.2524 -0.5755386 2.026709 
1 1 1   16    2  -41 o   24.592   0.9810   81.359   6.4795   71.518   8.1790   97.945   10.618   23.002   1.3296   26.913   1.4745 -3.910997 1.985436 
1 1 1   16    2  -40 o   72.480   0.8102  706.300   15.773  696.948   22.197  715.840   22.418   71.958   1.1485   72.927   1.1445 -0.9693375 1.621401 
1 1 1   16    2  -39 o   26.147   0.9198   91.934   6.4595   91.119   9.1633   92.739   9.1072   25.979   1.3175   26.244   1.2920 -0.2647171 1.845309 
1 1 1   16    2  -38 o   45.961   0.7913  283.945   9.7683  286.008   13.177  281.427   14.555   46.111   1.0639   45.732   1.1850 0.3796463 1.592492 
1 1 1   16    2  -37 f   75.465   0.8057  765.436   16.331  773.466   23.144  757.473   23.048   75.829   1.1363   75.040   1.1435 0.7888184 1.612108 
1 1 1   16    2  -36 o   47.374   0.7172  301.566   9.1257  311.810   12.905  291.321   12.906   48.159   0.9977   46.548   1.0323 1.610954 1.435635 
1 1 1   16    2  -35 f   62.784   0.8877  529.781   14.970  525.313   27.651  531.634   17.805   62.460   1.6482   62.884   1.0542 -0.4240417 1.956527 
1 1 1   16    2  -34 o  114.932   1.2760  1776.49   39.391  1806.08   56.107  1747.73   55.316  115.802   1.8039  113.915   1.8079 1.886635 2.553914 
1 1 1   16    2  -33 f   10.647   2.5765   15.916   7.2884   8.4533   10.143   23.883   10.480   8.8549   3.2518   13.029   3.0488 -4.173960 4.457513 
1 1 1   16    2  -32 o  137.272   1.4454  2534.49   53.292  2538.31   75.385  2530.68   75.347  137.270   2.0447  137.063   2.0467 0.2069550 2.893016 
1 1 1   16    2  -31 o   60.894   1.2457  498.503   20.374  515.271   26.624  474.809   31.649   61.888   1.6017   59.381   1.9844 2.507294 2.550124 
1 1 1   16    2  -30 o   82.211   1.2180  908.507   26.894  890.985   46.364  917.393   33.017   81.337   2.1223   82.593   1.4883 -1.256226 2.592137 
1 1 1   16    2  -29 o  116.462   1.2796  1823.22   40.026  1807.02   56.267  1839.82   56.950  115.888   1.8077  116.935   1.8132 -1.046631 2.560376 
1 1 1   16    2  -28 o   74.267   1.0074  741.115   20.095  739.687   28.378  742.550   28.459   74.176   1.4244   74.319   1.4257 -0.1433411 2.015312 
1 1 1   16    2  -27 o   62.609   0.9501  526.652   15.977  526.869   22.623  526.437   22.567   62.609   1.3453   62.584   1.3425 0.2555084E-01 1.900598 
1 1 1   16    2  -26 o  137.732   1.6678  2550.54   61.697  2506.40  105.473  2573.50   76.070  136.381   2.8794  138.311   2.0477 -1.929672 3.533231 
1 1 1   16    2  -25 o   39.103   1.2656  205.463   13.292  214.563   17.768  193.899   20.030   39.951   1.6559   37.920   1.9735 2.031616 2.576130 
1 1 1   16    2  -24 o  198.376   1.9587  5291.44  104.361  5333.37  148.340  5250.34  146.849  199.037   2.7748  197.483   2.7685 1.554321 3.919723 
1 1 1   16    2  -23 o  157.803   1.6058  3346.68   68.063  3286.89   95.265  3409.02   97.278  156.330   2.2688  159.207   2.2749 -2.877258 3.212889 
1 1 1   16    2  -22 o  159.544   1.6201  3420.71   69.424  3443.41   98.502  3398.30   97.862  160.019   2.2918  158.967   2.2920 1.051605 3.241254 
1 1 1   16    2  -21 o   70.378   1.1282  665.365   21.326  698.729   26.527  604.401   35.858   72.116   1.3695   67.055   1.9909 5.060455 2.416487 
1 1 1   16    2  -20 o  255.283   2.4656  8763.26  169.058  8803.94  239.736  8723.02  238.436  255.710   3.4906  254.532   3.4877 1.177399 4.934362 
1 1 1   16    2  -19 o  193.802   1.9142  5047.64   99.639  5002.48  140.157  5093.79  141.677  192.864   2.7056  194.616   2.7104 -1.751816 3.829707 
1 1 1   16    2  -18 o  109.011   1.2053  1596.31   35.291  1609.81   50.048  1582.96   49.773  109.457   1.7023  108.540   1.7073 0.9170456 2.410990 
1 1 1   16    2  -17 o   54.139   0.9008  393.678   13.099  410.114   18.629  377.603   18.423   55.254   1.2552   53.018   1.2937 2.235714 1.802576 
1 1 1   16    2  -16 o  327.940   3.1267 14464.92  275.404 14408.19  388.436 14522.26  390.532  327.047   4.4220  328.338   4.4284 -1.290619 6.258147 
1 1 1   16    2  -15 o  153.512   1.5605  3165.96   64.341  3158.28   90.834  3173.70   91.151  153.298   2.2061  153.672   2.2084 -0.3738098 3.121498 
1 1 1   16    2  -14 o  181.032   2.5430  4405.21  123.651  4362.84  173.704  4448.75  176.059  180.077   3.5913  181.840   3.6047 -1.763092 5.088415 
1 1 1   16    2  -13 o   91.363   1.5135  1121.34   37.141  1078.28   51.491  1168.03   53.623   89.578   2.1401   93.231   2.1414 -3.653519 3.027510 
1 1 1   16    2  -12 o  121.740   1.4983  1990.94   48.993  2029.89   60.641  1917.71   83.139  122.916   1.8368  119.446   2.5915 3.470718 3.176402 
1 1 1   16    2  -11 o  110.394   0.9734  1636.85   28.861  1624.95   40.637  1648.95   40.997  109.986   1.3756  110.795   1.3776 -0.8093491 1.946830 
1 1 1   16    2  -10 o   75.415   0.7611  763.855   15.416  769.613   21.902  758.202   21.701   75.696   1.0773   75.133   1.0754 0.5632477 1.522162 
1 1 1   16    2   -9 o  370.088   2.8651 18412.16  284.798 18294.95  401.082 18531.36  404.470  368.725   4.0498  371.098   4.0579 -2.373230 5.733070 
1 1 1   16    2   -8 o  136.786   1.1472  2513.12   42.149  2490.26   59.359  2536.38   59.861  136.152   1.6232  137.407   1.6220 -1.254944 2.294679 
1 1 1   16    2   -7 o   93.055   0.8618  1163.01   21.540  1159.44   30.395  1166.61   30.529   92.908   1.2180   93.195   1.2196 -0.2870712 1.723682 
1 1 1   16    2   -6 o  105.564   1.0277  1496.75   29.139  1482.09   37.485  1519.14   46.323  105.042   1.3286  106.341   1.6218 -1.299332 2.096554 
1 1 1   16    2   -5 o  156.651   1.4850  3296.38   62.480  3267.12   76.176  3356.54  109.219  155.944   1.8187  158.033   2.5731 -2.089355 3.150942 
1 1 1   16    2   -4 o  246.109   2.3722  8139.50  156.809  8266.86  200.342  7938.08  251.944  247.978   3.0079  242.915   3.8615 5.063202 4.894789 
1 1 1   16    2   -3 o  267.061   2.1845  9583.39  156.697  9441.66  230.195  9705.78  213.905  264.992   3.2342  268.699   2.9639 -3.706726 4.386914 
1 1 1   16    2   -2 o  118.784   1.2575  1895.22   40.118  1889.25   65.293  1898.83   50.849  118.579   2.0501  118.891   1.5924 -0.3115921 2.595835 
1 1 1   16    2   -1 o  107.198   1.2401  1543.52   35.705  1506.35   53.803  1572.78   47.730  105.887   1.8918  108.202   1.6424 -2.314980 2.505225 
1 1 1   16    2    0 o  406.843   3.4430 22258.87  376.232 22321.67  595.843 22217.23  485.189  407.001   5.4506  406.278   4.4463 0.7231445 7.034075 
1 1 1   16    2    1 o  294.570   2.5168 11661.50  199.129 11281.21  308.216 11933.97  260.888  289.572   3.9628  297.919   3.2603 -8.346252 5.131654 
1 1 1   16    2    2 o  316.840   2.8449 13494.14  242.105 13493.78  363.086 13494.43  324.868  316.653   4.2691  316.726   3.8188 -0.7345581E-01 5.727874 
1 1 1   16    2    3 o   28.998   0.8586  112.940   6.6874  107.772   9.2791  118.526   9.6464   28.326   1.2196   29.706   1.2090 -1.379667 1.717338 
1 1 1   16    2    4 o   89.126   0.9683  1066.90   23.179  1097.96   35.124  1042.93   30.849   90.409   1.4464   88.116   1.3035 2.292976 1.947108 
1 1 1   16    2    5 o  108.046   1.2541  1568.05   36.396  1522.88   66.986  1586.97   43.353  106.454   2.3428  108.692   1.4850 -2.237770 2.773765 
1 1 1   16    2    6 o  173.516   1.4688  4044.35   68.455  4034.58   92.570  4056.13  101.691  173.288   1.9889  173.742   2.1791 -0.4541016 2.950316 
1 1 1   16    2    7 o  247.070   1.9438  8201.58  128.994  8215.23  182.630  8187.99  182.220  247.221   2.7504  246.811   2.7488 0.4100800 3.888510 
1 1 1   16    2    8 o   93.880   1.0070  1183.76   25.392  1199.91   34.310  1164.21   37.755   94.514   1.3516   93.095   1.5099 1.418961 2.026494 
1 1 1   16    2    9 o  148.033   1.2280  2943.48   48.827  2962.72   69.355  2924.57   68.752  148.503   1.7388  147.544   1.7349 0.9592133 2.456278 
1 1 1   16    2   10 o  111.052   1.1308  1656.49   33.729  1587.70   56.944  1693.66   41.863  108.705   1.9503  112.287   1.3881 -3.581665 2.393827 
1 1 1   16    2   11 o  170.694   1.7019  3914.32   78.026  3956.15  111.014  3873.49  109.689  171.572   2.4090  169.770   2.4055 1.801575 3.404403 
1 1 1   16    2   12 o  234.522   2.6182  7392.96  164.923  7444.55  234.151  7342.16  232.333  235.233   3.7060  233.611   3.7028 1.622818 5.238787 
1 1 1   16    2   13 o  108.134   1.0556  1570.55   30.658  1597.96   48.820  1552.70   39.394  109.061   1.6666  107.512   1.3642 1.548836 2.153747 
1 1 1   16    2   14 o  216.171   1.8830  6278.79  109.333  6295.45  173.041  6267.72  141.055  216.377   2.9775  215.945   2.4320 0.4321594 3.844433 
1 1 1   16    2   15 o  207.484   1.8141  5784.20  101.096  5712.17  158.521  5833.58  131.253  206.113   2.8634  208.334   2.3456 -2.220459 3.701512 
1 1 1   16    2   16 o  149.365   1.4329  2997.08   57.486  2988.62   85.875  3003.96   77.383  149.124   2.1440  149.517   1.9269 -0.3924561 2.882671 
1 1 1   16    2   17 o  184.886   1.7205  4592.89   85.437  4554.40  127.422  4624.32  115.158  184.053   2.5775  185.481   2.3116 -1.427429 3.462230 
1 1 1   16    2   18 o   25.343   0.8641   86.266   5.8821   92.953   8.1757   79.091   8.4692   26.306   1.1571   24.229   1.3062 2.076567 1.745058 
1 1 1   16    2   19 o  149.680   1.2457  3009.68   50.079  3035.20   71.131  2984.61   70.516  150.290   1.7621  149.033   1.7616 1.257767 2.491677 
1 1 1   16    2   20 o  142.867   1.1996  2741.93   46.031  2772.00   65.472  2712.54   64.731  143.626   1.6972  142.077   1.6963 1.548691 2.399531 
1 1 1   16    2   21 o  105.308   0.9555  1489.62   27.025  1492.70   38.241  1486.54   38.197  105.406   1.3508  105.188   1.3520 0.2178802 1.911123 
1 1 1   16    2   22 o   88.890   0.8614  1061.33   20.566  1059.43   29.020  1063.24   29.151   88.802   1.2167   88.962   1.2200 -0.1595230 1.723008 
1 1 1   16    2   23 o   89.378   0.8665  1073.03   20.801  1103.85   29.712  1043.41   29.132   90.642   1.2204   88.126   1.2308 2.516891 1.733249 
1 1 1   16    2   24 o   62.549   0.7875  525.518   13.229  556.790   18.032  489.066   19.468   64.378   1.0428   60.333   1.2014 4.045593 1.590861 
1 1 1   16    2   25 o   31.195   1.0055  130.734   8.4245  134.377   9.8746  120.992   16.149   31.625   1.1625   29.925   2.0210 1.699142 2.331500 
1 1 1   16    2   26 o  123.906   1.3210  2063.29   43.962  2062.09   55.535  2065.29   71.946  123.844   1.6696  123.892   2.1621 -0.4801941E-01 2.731666 
1 1 1   16    2   27 o  156.296   1.4212  3283.70   59.660  3279.18   76.900  3290.54   94.551  156.139   1.8337  156.348   2.2516 -0.2082977 2.903779 
1 1 1   16    2   28 o   71.692   0.8244  690.500   15.875  713.340   21.634  663.858   23.365   72.858   1.1055   70.280   1.2378 2.578056 1.659625 
1 1 1   16    2   29 o  130.458   1.1235  2287.30   39.366  2250.02   55.115  2326.13   56.247  129.344   1.5865  131.513   1.5924 -2.168579 2.247768 
1 1 1   16    2   30 o   9.8684   2.0066   13.588   5.1374   15.920   7.2020   11.171   7.3306   10.654   2.5507   9.0820   2.7606 1.571883 3.758534 
1 1 1   16    2   31 o   43.890   0.7853  258.813   9.2571  276.304   13.290  242.329   12.902   45.341   1.0913   42.460   1.1313 2.880325 1.571867 
1 1 1   16    2   32 o   83.621   0.8901  939.602   19.991  927.960   29.522  949.462   27.168   83.072   1.3231   84.038   1.2036 -0.9662018 1.788689 
1 1 1   16    2   33 f   18.297   1.2188   45.212   5.9553   44.428   8.9981   45.824   7.9441   18.066   1.8820   18.381   1.6259 -0.3151932 2.487054 
1 1 1   16    2   34 o   65.932   0.8188  584.130   14.500  578.830   21.571  588.499   19.586   65.608   1.2241   66.162   1.1021 -0.5539398 1.647144 
1 1 1   16    2   35 f   17.168   1.2727   39.861   5.8266   35.943   8.4507   43.411   8.0444   16.209   1.9824   17.874   1.6959 -1.664978 2.608837 
1 1 1   16    2   36 o   67.846   0.7985  618.607   14.552  628.029   20.699  609.401   20.461   68.336   1.1277   67.315   1.1317 1.021461 1.597650 
1 1 1   16    2   37 f   40.124   0.8757  216.414   9.4373  222.722   13.465  210.324   13.231   40.685   1.2322   39.535   1.2460 1.149502 1.752351 
1 1 1   16    2   38 o   31.349   0.9297  132.144   7.8281  123.004   11.794  139.340   10.465   30.219   1.4532   32.178   1.2109 -1.958847 1.891544 
1 1 1   16    2   39 o   77.266   0.8740  802.714   18.138  808.112   26.616  798.035   24.783   77.472   1.2791   77.000   1.1983 0.4723740 1.752737 
1 1 1   16    2   40 o   57.729   0.7930  448.043   12.296  457.850   17.370  438.192   17.410   58.327   1.1087   57.059   1.1360 1.268867 1.587385 
1 1 1   16    2   41 o   43.831   0.8592  258.348   10.115  263.309   14.211  253.254   14.401   44.221   1.1965   43.365   1.2364 0.8563728 1.720541 
1 1 1   16    2   42 o   23.021   1.0653   71.329   6.5869   68.940   9.2037   73.839   9.4311   22.555   1.5283   23.348   1.5120 -0.7934685 2.149811 
1 1 1   16    2   43 o   36.456   0.9983  178.856   9.7752  187.659   13.284  168.458   14.437   37.313   1.3254   35.333   1.5212 1.980644 2.017668 
1 1 1   16    2   44 o   42.813   0.9428  246.643   10.841  246.851   13.686  246.291   17.762   42.806   1.1904   42.710   1.5483 0.9516144E-01 1.953028 
1 1 1   16    2   45 o   20.582   1.2440   57.309   6.8448   60.930   9.3150   53.059   10.091   21.167   1.6515   19.695   1.9325 1.471603 2.542085 
1 1 1   16    2   46 o   28.211   1.0264  107.185   7.7770  101.585   10.690  113.481   11.335   27.387   1.4585   28.949   1.4625 -1.562750 2.065472 
1 1 1   16    2   47 o   48.687   0.8670  319.039   11.338  312.588   13.985  331.411   19.367   48.163   1.0811   49.524   1.4559 -1.360504 1.813410 
1 1 1   16    2   48 o   20.230   1.3089   55.479   7.0742   50.522   9.6477   61.245   10.404   19.199   1.8956   21.166   1.8486 -1.966347 2.647796 
1 1 1   16    2   49 o   25.822   1.1444   89.918   7.9371   83.997   11.203   95.885   11.246   24.841   1.6892   26.569   1.5831 -1.727859 2.315099 
1 1 1   16    2   50 o   41.623   0.9300  233.307   10.397  238.436   15.312  228.920   14.162   42.012   1.3570   41.178   1.2805 0.8335266 1.865739 
1 1 1   16    2   51 o   29.723   1.0622  119.088   8.4802   97.630   13.954  131.655   10.678   26.724   1.9576   31.226   1.2732 -4.502327 2.335231 
1 1 1   16    2   52 o   32.329   1.0139  140.877   8.8043  142.962   12.321  138.701   12.585   32.512   1.4110   32.015   1.4636 0.4968491 2.032955 
1 1 1   16    2   53 o   18.066   1.7523   44.766   8.3956   41.884   11.731   47.792   12.021   17.249   2.6139   18.486   2.4838 -1.237186 3.605825 
1 1 1   16    2   54 o   15.389   2.0983   33.006   8.4470   38.911   12.103   27.398   11.795   16.512   2.8309   13.695   3.2545 2.817765 4.313449 
1 1 1   16    2   55 o   58.345   1.1138  460.248   17.455  436.122   22.948  493.370   26.888   56.637   1.5085   60.160   1.6640 -3.522854 2.245999 
1 1 1   16    2   56 o   22.687   1.7233   70.817   10.423   70.829   13.718   70.801   16.030   22.481   2.3044   22.292   2.7347 0.1894836 3.576190 
1 1 1   16    2   57 o   8.2261   3.0759   7.8997   9.1509   13.406   14.059   3.8521   12.054   10.258   3.8171   8.0941   3.3636 2.163464 5.087591 
1 1 1   16    2   58 o   12.429   2.9041   23.046   9.5204   21.023   12.584   25.753   14.559   11.753   3.6252   12.864   3.8859 -1.111022 5.314378 
1 1 1   16    3  -57 o   10.996   4.8125   4.3780   27.067   0.0000   0.0000   4.3780   27.067  ?   ?    10.996   4.8125 0.000000 4.812510 
1 1 1   16    3  -56 f   12.360   4.5932   20.927   20.345   22.480   28.193   19.240   29.388   13.308   5.2838   13.036   5.3171 0.2714186 7.496003 
1 1 1   16    3  -55 o   24.288   1.9211   81.433   12.430   62.521   17.485  100.757   17.675   20.734   3.2463   26.800   2.4836 -6.066759 4.087364 
1 1 1   16    3  -54 o   27.094   1.7916  100.600   12.964  111.731   18.632   90.154   18.050   28.310   2.4753   25.321   2.6954 2.989115 3.659565 
1 1 1   16    3  -53 o   15.189   1.6826   31.729   6.7491   39.472   9.3898   23.454   9.7076   16.857   2.1209   12.747   2.9007 4.109819 3.593359 
1 1 1   16    3  -52 o   18.178   1.3692   44.940   6.6361   43.871   9.3597   46.022   9.4102   17.835   1.9877   18.282   1.9463 -0.4465942 2.781907 
1 1 1   16    3  -51 o   53.018   0.8929  378.547   12.716  368.958   16.405  392.979   20.126   52.291   1.1680   53.914   1.3898 -1.622417 1.815441 
1 1 1   16    3  -50 o   7.9908   2.5766   8.5532   6.2911   7.5911   9.5288   9.2967   8.3762   8.3979   3.1390   8.5894   2.9763 -0.1914968 4.325730 
1 1 1   16    3  -49 o   37.225   0.9281  186.621   9.2800  196.485   14.378  179.578   12.149   38.127   1.4040   36.476   1.2401 1.651585 1.873265 
1 1 1   16    3  -48 o   4.9639   2.1952  -1.7699   5.7674  -0.0715   7.8143  -3.8022   8.5477   6.1868   2.6461   5.8323   2.6195 0.3544798 3.723428 
1 1 1   16    3  -47 o   18.154   1.4977   44.863   7.2380   41.606   9.5679   49.221   11.067   17.365   2.0937   18.877   2.2256 -1.512529 3.055580 
1 1 1   16    3  -46 o   18.681   1.2499   47.287   6.2352   55.679   9.2932   40.416   8.4088   20.203   1.7293   17.167   1.8531 3.036417 2.534639 
1 1 1   16    3  -45 o   74.603   0.8892  748.993   17.817  739.835   26.532  756.515   24.045   74.050   1.3340   74.915   1.1950 -0.8644180 1.790959 
1 1 1   16    3  -44 o   35.534   0.8862  169.889   8.4581  153.892   12.886  181.995   11.211   33.770   1.4207   36.756   1.1356 -2.986092 1.818788 
1 1 1   16    3  -43 o   17.490   1.2728   41.443   5.9379   39.939   7.1918   44.662   10.525   17.127   1.5813   18.007   2.2234 -0.8804646 2.728324 
1 1 1   16    3  -42 o   24.219   0.9338   78.914   6.0745   77.686   8.0494   80.538   9.2582   23.980   1.2541   24.398   1.4189 -0.4174805 1.893701 
1 1 1   16    3  -41 o   7.4352   2.1100   7.6770   4.4093   2.2053   6.1856   13.330   6.2871   6.0768   2.4536   9.7191   2.4182 -3.642358 3.445013 
1 1 1   16    3  -40 o   20.505   0.9310   56.556   5.1277   49.394   6.8890   65.453   7.6786   19.099   1.3516   22.004   1.3051 -2.905102 1.878861 
1 1 1   16    3  -39 o  124.881   1.1937  2099.46   40.039  2077.32   62.310  2115.03   52.256  124.003   1.8708  125.239   1.5535 -1.235619 2.431716 
1 1 1   16    3  -38 o   69.215   0.8484  644.088   15.772  649.480   20.730  636.677   24.303   69.476   1.1109   68.761   1.3159 0.7147522 1.722134 
1 1 1   16    3  -37 o   25.807   1.0514   89.579   7.2877   82.794   13.447   92.400   8.6716   24.674   2.0476   26.203   1.2321 -1.528742 2.389760 
1 1 1   16    3  -36 o   59.075   0.8297  469.076   13.166  485.090   22.188  460.374   16.356   60.030   1.3761   58.510   1.0408 1.520069 1.725385 
1 1 1   16    3  -35 f   23.833   1.3406   76.673   8.5471   74.039   11.884   79.496   12.302   23.357   1.9111   24.208   1.9075 -0.8512726 2.700114 
1 1 1   16    3  -34 o   63.411   0.9841  540.502   16.760  553.781   23.861  527.571   23.547   64.156   1.3847   62.618   1.4001 1.537884 1.969177 
1 1 1   16    3  -33 o  100.909   1.1736  1369.13   31.809  1393.36   45.295  1345.55   44.682  101.738   1.6576   99.976   1.6640 1.761665 2.348699 
1 1 1   16    3  -32 o   97.133   1.1461  1268.39   29.900  1264.80   42.214  1271.99   42.356   96.945   1.6212   97.220   1.6220 -0.2749557 2.293335 
1 1 1   16    3  -31 o   71.715   1.0702  691.275   20.615  700.676   27.387  678.983   31.315   72.179   1.4127   71.034   1.6413 1.144348 2.165534 
1 1 1   16    3  -30 o   88.286   1.2574  1047.89   29.816  1067.50   36.698  1009.81   51.142   89.085   1.5337   86.570   2.1995 2.514305 2.681417 
1 1 1   16    3  -29 o   52.978   1.2259  377.278   17.444  371.389   26.939  381.530   22.890   52.527   1.9094   53.257   1.6002 -0.7306595 2.491321 
1 1 1   16    3  -28 o   71.528   0.9958  687.488   19.130  700.227   27.264  675.133   26.850   72.167   1.4065   70.862   1.4107 1.305161 1.992104 
1 1 1   16    3  -27 o   93.827   1.1967  1183.15   30.159  1191.07   39.927  1172.63   46.022   94.114   1.5795   93.361   1.8353 0.7528152 2.421401 
1 1 1   16    3  -26 o  108.911   1.2201  1594.06   35.690  1602.50   50.645  1585.74   50.304  109.160   1.7274  108.588   1.7248 0.5718155 2.441005 
1 1 1   16    3  -25 o  220.472   2.4927  6544.80  147.609  6361.09  250.990  6641.94  182.508  216.798   4.3103  221.956   3.0614 -5.158325 5.286876 
1 1 1   16    3  -24 o  131.827   1.7659  2336.54   62.525  2404.84   82.231  2242.95   96.265  133.687   2.2901  129.050   2.7773 4.637085 3.599680 
1 1 1   16    3  -23 o  105.465   1.1891  1494.45   33.683  1516.11   47.984  1473.42   47.292  106.202   1.6822  104.696   1.6818 1.505959 2.378670 
1 1 1   16    3  -22 o   43.310   0.9547  251.969   11.105  258.220   15.718  245.740   15.692   43.838   1.3350   42.765   1.3661 1.073002 1.910079 
1 1 1   16    3  -21 o  158.231   1.6082  3364.68   68.349  3406.62   97.359  3323.92   95.975  159.160   2.2775  157.216   2.2728 1.943405 3.217567 
1 1 1   16    3  -20 o   62.270   1.0046  520.869   16.802  526.310   22.542  514.067   25.205   62.589   1.3409   61.853   1.5172 0.7360382 2.024801 
1 1 1   16    3  -19 o  239.025   2.3181  7681.83  148.820  7687.50  210.524  7676.15  210.403  238.971   3.2799  238.795   3.2805 0.1765289 4.638899 
1 1 1   16    3  -18 o  116.544   1.5915  1825.03   49.819  1842.38   78.832  1813.49   64.283  117.052   2.5075  116.155   2.0605 0.8971634 3.245427 
1 1 1   16    3  -17 f  109.867   1.2118  1621.49   35.760  1620.74   50.520  1622.23   50.625  109.826   1.7127  109.877   1.7154 -0.5026245E-01 2.423997 
1 1 1   16    3  -16 o   69.728   1.0873  653.080   20.364  630.154   34.094  665.794   25.391   68.480   1.8537   70.400   1.3428 -1.920029 2.288920 
1 1 1   16    3  -15 o   94.685   1.0961  1204.24   27.876  1220.09   39.644  1188.74   39.204   95.297   1.5489   94.065   1.5517 1.232368 2.192437 
1 1 1   16    3  -14 o  130.298   1.3686  2280.68   47.895  2272.02   67.624  2289.39   67.845  130.031   1.9362  130.527   1.9352 -0.4962921 2.737526 
1 1 1   16    3  -13 o   94.046   1.5348  1188.22   38.769  1185.27   54.823  1191.18   54.833   93.913   2.1734   94.147   2.1684 -0.2339249 3.070151 
1 1 1   16    3  -12 o  192.178   2.1815  4963.23  112.603  5009.75  138.457  4872.33  193.514  193.044   2.6703  190.280   3.7864 2.763947 4.633313 
1 1 1   16    3  -11 o   82.097   0.8752  905.246   19.299  929.260   25.353  872.161   29.760   83.176   1.1349   80.577   1.3751 2.599266 1.782906 
1 1 1   16    3  -10 o  242.172   2.0892  7880.67  135.890  7773.95  174.004  8047.52  217.571  240.480   2.6939  244.614   3.3115 -4.133942 4.268900 
1 1 1   16    3   -9 o  152.966   1.2610  3142.97   51.807  3087.31   72.451  3201.20   74.108  151.590   1.7795  154.360   1.7875 -2.770340 2.522201 
1 1 1   16    3   -8 o  233.498   1.8432  7325.17  115.597  7485.66  165.709  7173.04  161.338  235.990   2.6143  231.011   2.6002 4.979340 3.687255 
1 1 1   16    3   -7 f  227.654   1.7999  6962.91  110.058  6912.08  154.941  7014.67  156.359  226.776   2.5438  228.452   2.5482 -1.676331 3.600572 
1 1 1   16    3   -6 o  334.834   2.5991 15069.05  233.742 15098.87  331.006 15039.39  330.118  335.024   3.6785  334.364   3.6758 0.6600647 5.200288 
1 1 1   16    3   -5 o  102.591   1.0709  1413.66   29.509  1390.64   39.217  1443.70   44.802  101.747   1.4350  103.666   1.6090 -1.919449 2.155998 
1 1 1   16    3   -4 o   73.840   0.9349  732.308   18.541  739.931   23.597  720.010   29.974   74.221   1.1837   73.211   1.5243 1.010056 1.929923 
1 1 1   16    3   -3 o   69.376   0.8992  646.424   16.756  632.956   21.138  669.198   27.487   68.647   1.1464   70.582   1.4499 -1.934555 1.848393 
1 1 1   16    3   -2 o  111.647   0.9800  1674.20   29.386  1671.95   41.518  1676.46   41.599  111.566   1.3855  111.716   1.3864 -0.1505203 1.960026 
1 1 1   16    3   -1 o   81.104   0.8319  883.448   18.121  916.113   27.381  857.990   24.173   82.585   1.2344   79.924   1.1260 2.661491 1.670848 
1 1 1   16    3    0 o  140.639   1.2279  2656.75   46.381  2686.74   69.212  2632.30   62.488  141.415   1.8222  139.980   1.6620 1.435196 2.466336 
1 1 1   16    3    1 o   63.443   0.8216  540.579   14.001  542.580   21.177  539.024   18.662   63.557   1.2405   63.349   1.0968 0.2073250 1.655846 
1 1 1   16    3    2 o   87.929   0.9171  1038.42   21.659  1048.48   28.151  1023.83   33.906   88.351   1.1863   87.303   1.4459 1.048477 1.870296 
1 1 1   16    3    3 o  198.053   1.7354  5269.65   92.316  5425.76  148.619  5171.57  117.798  200.909   2.7541  196.177   2.2356 4.731995 3.547274 
1 1 1   16    3    4 o   51.129   0.8731  351.100   11.990  335.822   15.637  372.898   18.678   50.002   1.1644   52.689   1.3198 -2.686726 1.760030 
1 1 1   16    3    5 o  270.286   2.2106  9816.82  160.483  9785.48  237.544  9843.14  217.669  269.757   3.2785  270.580   2.9951 -0.8231201 4.440644 
1 1 1   16    3    6 o  242.842   1.9977  7923.67  130.304  7903.45  192.928  7940.63  176.696  242.460   2.9625  243.052   2.7067 -0.5915527 4.012802 
1 1 1   16    3    7 f  154.451   1.3940  3204.42   57.829  3140.33   80.699  3272.07   82.912  152.880   1.9653  156.053   1.9781 -3.173309 2.788410 
1 1 1   16    3    8 o  126.479   1.1288  2148.68   38.346  2128.72   56.491  2165.74   52.219  125.878   1.6708  126.972   1.5312 -1.093636 2.266326 
1 1 1   16    3    9 o  191.264   1.6040  4914.44   82.399  4880.69  121.628  4943.08  112.023  190.568   2.3762  191.793   2.1746 -1.225677 3.221094 
1 1 1   16    3   10 o  110.352   1.0201  1635.62   30.235  1642.88   44.865  1629.59   40.923  110.587   1.5105  110.142   1.3833 0.4454956 2.048184 
1 1 1   16    3   11 o  103.751   1.0804  1445.81   30.108  1430.27   44.816  1458.60   40.648  103.181   1.6171  104.202   1.4523 -1.020813 2.173562 
1 1 1   16    3   12 o  101.103   1.0125  1372.95   27.496  1380.75   38.887  1365.17   38.884  101.382   1.4281  100.809   1.4361 0.5738525 2.025280 
1 1 1   16    3   13 o  211.461   2.0609  6008.96  117.051  6007.87  148.088  6010.76  191.080  211.402   2.6081  211.382   3.3656 0.2030945E-01 4.257811 
1 1 1   16    3   14 o   19.551   0.9948   51.474   5.2066   49.574   7.2085   53.547   7.5286   19.158   1.4108   19.915   1.4167 -0.7566242 1.999367 
1 1 1   16    3   15 o  199.605   1.5993  5352.90   85.740  5419.17  122.070  5288.37  120.454  200.794   2.2634  198.357   2.2609 2.437851 3.199190 
1 1 1   16    3   16 o  124.447   1.1727  2080.36   39.198  2078.88   55.348  2081.84   55.521  124.388   1.6567  124.477   1.6607 -0.8845520E-01 2.345697 
1 1 1   16    3   17 f  137.409   1.2680  2536.43   46.798  2529.40   66.048  2543.51   66.317  137.197   1.7923  137.579   1.7946 -0.3819885 2.536385 
1 1 1   16    3   18 o   50.247   0.7154  339.096   9.6549  327.431   13.402  351.683   13.921   49.372   1.0106   51.168   1.0129 -1.795761 1.430873 
1 1 1   16    3   19 o   99.710   0.9202  1335.43   24.643  1332.06   34.775  1338.84   34.926   99.575   1.3003   99.828   1.3026 -0.2531815 1.840483 
1 1 1   16    3   20 o  199.030   1.5972  5323.13   85.381  5366.18  121.279  5280.83  120.222  199.772   2.2603  198.177   2.2586 1.594879 3.195314 
1 1 1   16    3   21 o  113.437   1.0083  1728.57   30.722  1751.16   43.682  1706.45   43.216  114.160   1.4246  112.693   1.4278 1.466751 2.016928 
1 1 1   16    3   22 o  182.529   1.5453  4477.43   75.757  4472.26  102.401  4483.68  112.596  182.370   2.0905  182.579   2.2960 -0.2084808 3.105195 
1 1 1   16    3   23 o   49.536   0.9817  329.636   13.061  320.644   16.990  342.629   20.422   48.850   1.2949   50.492   1.5059 -1.642040 1.986089 
1 1 1   16    3   24 o  147.015   1.2865  2904.38   50.802  2872.46   68.237  2944.06   76.092  146.168   1.7381  147.961   1.9147 -1.792969 2.585933 
1 1 1   16    3   25 o  105.327   1.2573  1490.83   35.569  1437.58   45.710  1572.56   56.632  103.405   1.6458  108.125   1.9500 -4.720818 2.551729 
1 1 1   16    3   26 o   86.648   0.8960  1008.66   20.853  1000.78   27.938  1018.58   31.334   86.296   1.2053   87.053   1.3401 -0.7568817 1.802433 
1 1 1   16    3   27 o   62.561   0.7838  525.780   13.171  500.302   17.492  559.138   20.015   61.018   1.0673   64.503   1.1553 -3.484879 1.572866 
1 1 1   16    3   28 o  147.819   1.2948  2937.27   51.409  2965.90   69.964  2903.68   75.791  148.477   1.7544  146.885   1.9211 1.591858 2.601613 
1 1 1   16    3   29 o   34.896   0.8526  163.614   7.9908  156.616   11.464  170.227   11.144   34.133   1.2504   35.587   1.1659 -1.454552 1.709676 
1 1 1   16    3   30 o  103.752   1.0399  1446.69   28.978  1449.32   40.955  1444.06   41.006  103.808   1.4689  103.619   1.4734 0.1888885 2.080499 
1 1 1   16    3   31 o   87.068   0.8637  1018.63   20.197  1011.13   28.402  1026.30   28.727   86.723   1.2194   87.371   1.2241 -0.6478577 1.727817 
1 1 1   16    3   32 o   63.775   0.7757  546.477   13.287  538.818   18.653  554.367   18.932   63.311   1.0969   64.218   1.0976 -0.9069901 1.551775 
1 1 1   16    3   33 o   48.038   0.7947  310.075   10.253  318.613   15.435  303.332   13.717   48.678   1.1805   47.502   1.0751 1.176765 1.596744 
1 1 1   16    3   34 o   74.874   0.9517  753.532   19.140  790.763   29.367  726.042   25.235   76.659   1.4263   73.469   1.2788 3.189919 1.915629 
1 1 1   16    3   35 f   34.887   0.8153  163.572   7.6398  155.625   10.738  171.719   10.872   34.016   1.1753   35.733   1.1328 -1.717464 1.632328 
1 1 1   16    3   36 o   60.783   0.8660  496.632   14.138  491.235   22.705  500.051   18.069   60.407   1.3994   60.975   1.1033 -0.5675163 1.781987 
1 1 1   16    3   37 o   49.070   0.8869  323.719   11.689  309.398   16.842  337.029   16.236   47.941   1.3079   50.045   1.2079 -2.103745 1.780365 
1 1 1   16    3   38 o   66.574   0.8007  595.804   14.317  594.481   20.186  597.143   20.310   66.467   1.1307   66.615   1.1351 -0.1481018 1.602193 
1 1 1   16    3   39 o   74.095   0.8324  738.170   16.567  730.724   23.327  745.747   23.531   73.677   1.1788   74.431   1.1771 -0.7537613 1.665841 
1 1 1   16    3   40 o   14.274   1.6157   27.840   6.0852   35.005   8.5054   20.326   8.7099   15.960   2.0301   11.985   2.7623 3.974394 3.428104 
1 1 1   16    3   41 o   33.079   0.9450  147.199   8.3960  142.017   10.960  154.558   13.061   32.470   1.2568   33.857   1.4363 -1.387665 1.908511 
1 1 1   16    3   42 o   12.066   2.1095   20.290   6.5876   21.763   8.1519   17.519   11.183   12.430   2.5277   11.243   3.4079 1.187446 4.243058 
1 1 1   16    3   43 o   51.116   0.8461  351.439   11.616  356.499   15.778  345.451   17.166   51.449   1.1418   50.629   1.2623 0.8195229 1.702088 
1 1 1   16    3   44 o   24.245   1.0907   79.167   7.1026   82.939   9.9915   75.313   10.099   24.738   1.5110   23.555   1.6058 1.183344 2.204869 
1 1 1   16    3   45 o   46.395   0.9002  289.683   11.218  293.570   14.726  284.309   17.314   46.670   1.1748   45.893   1.4046 0.7775955 1.831148 
1 1 1   16    3   46 o   17.236   1.5142   40.461   6.9389   46.210   8.9794   31.938   10.932   18.371   1.8447   15.023   2.8128 3.348158 3.363804 
1 1 1   16    3   47 o   22.075   1.2780   65.985   7.5450   69.920   10.072   60.953   11.390   22.662   1.6664   21.076   2.0375 1.585623 2.632143 
1 1 1   16    3   48 o   22.823   1.0994   70.227   6.7394   65.383   8.9284   76.641   10.275   21.932   1.5252   23.736   1.6214 -1.803862 2.225995 
1 1 1   16    3   49 o   21.272   1.4014   61.420   7.9623   57.315   11.969   64.678   10.664   20.380   2.2226   21.750   1.8428 -1.369944 2.887232 
1 1 1   16    3   50 o   33.498   0.9961  151.195   8.9621  137.253   12.716  164.955   12.633   31.853   1.4863   34.942   1.3460 -3.089668 2.005244 
1 1 1   16    3   51 o   19.969   1.4396   54.212   7.6695   46.111   11.207   61.349   10.519   18.215   2.3451   21.166   1.8695 -2.950386 2.999103 
1 1 1   16    3   52 o   15.451   1.7881   32.866   7.2833   24.701   10.084   41.769   10.530   13.104   2.9378   17.314   2.3229 -4.210283 3.745215 
1 1 1   16    3   53 o   43.641   0.9659  256.802   11.322  261.192   17.137  253.402   15.083   43.901   1.4533   43.282   1.2974 0.6198769 1.948210 
1 1 1   16    3   54 o   48.291   0.9956  314.756   12.913  322.746   18.109  306.490   18.420   48.787   1.3819   47.522   1.4431 1.265129 1.998075 
1 1 1   16    3   55 o   38.100   1.1540  196.498   11.809  190.969   16.674  202.061   16.727   37.403   1.6598   38.490   1.6180 -1.086414 2.317932 
1 1 1   16    3   56 f   16.514   2.0599   38.233   8.9381   46.879   12.790   29.981   12.496   18.053   2.7222   14.144   3.3423 3.909609 4.310637 
1 1 1   16    3   57 o   19.488   1.9233   52.989   9.9360   56.299   13.123   48.543   15.210   19.838   2.5197   18.039   3.2593 1.798676 4.119699 
1 1 1   16    3   58 o   6.0613   2.7049  -2.4517   8.9586 -26.5933   13.671   15.715   11.860   5.3787   2.6511   10.388   3.5439 -5.009611 4.425829 
1 1 1   16    4  -56 o   16.277   4.3324   42.121   19.275   46.380   25.972   36.900   28.759   16.652   5.2199   15.135   5.4880 1.516782 7.574019 
1 1 1   16    4  -55 o   15.001   3.7840   34.248   15.245   17.330   32.209   39.133   17.306   13.201   5.4931   15.943   4.0372 -2.742006 6.817125 
1 1 1   16    4  -54 o   31.789   1.6470  138.126   14.014  129.260   19.925  146.806   19.715   30.423   2.4594   32.523   2.2712 -2.100080 3.347694 
1 1 1   16    4  -53 o   6.0267   2.7883  -8.0799   10.654  -9.9711   15.035  -6.1729   15.098   7.2440   3.3377   7.6709   3.4600 -0.4269347 4.807468 
1 1 1   16    4  -52 o   21.738   1.2713   64.095   7.3902   55.880   11.034   70.777   9.9521   20.121   2.0714   22.774   1.6379 -2.653877 2.640681 
1 1 1   16    4  -51 o   37.803   0.9478  192.559   9.6232  204.664   14.123  182.070   13.148   38.907   1.3515   36.700   1.3338 2.207130 1.898850 
1 1 1   16    4  -50 o   11.093   2.1352   17.329   6.1307   19.412   8.1927   14.678   9.2419   11.656   2.6737   10.234   3.0972 1.422451 4.091630 
1 1 1   16    4  -49 o   52.679   0.8875  373.668   12.557  373.330   17.064  374.068   18.546   52.596   1.2079   52.625   1.3121 -0.2894592E-01 1.783423 
1 1 1   16    4  -48 o   58.590   0.9150  462.289   14.400  459.674   20.736  464.724   20.011   58.336   1.3234   58.669   1.2699 -0.3329430 1.834161 
1 1 1   16    4  -47 o   44.286   0.8845  264.044   10.521  262.299   16.653  265.204   13.574   44.054   1.4074   44.346   1.1396 -0.2916946 1.810895 
1 1 1   16    4  -46 o   8.9996   2.5691   11.372   6.5170   3.0477   10.607   16.421   8.2601   7.7391   3.1797   10.734   2.8261 -2.995177 4.254155 
1 1 1   16    4  -45 o   11.263   1.9092   17.675   5.5695   13.953   6.8102   25.193   9.6783   9.9161   2.5444   13.312   2.7958 -3.395631 3.780277 
1 1 1   16    4  -44 o   89.356   0.9438  1074.75   22.652  1077.98   30.351  1070.68   34.033   89.410   1.2639   89.057   1.4228 0.3522644 1.903050 
1 1 1   16    4  -43 o   13.550   1.3139   24.987   4.7218   22.624   6.3379   27.936   7.0786   12.789   1.9031   14.240   1.8980 -1.451369 2.687767 
1 1 1   16    4  -42 o   13.414   1.3190   24.486   4.6905   24.294   5.9551   24.800   7.6127   13.301   1.7063   13.349   2.1999 -0.4791069E-01 2.784046 
1 1 1   16    4  -41 o   18.082   0.9977   44.131   4.8268   41.220   6.4134   47.935   7.3304   17.432   1.3811   18.795   1.4636 -1.363708 2.012349 
1 1 1   16    4  -40 o   48.619   0.9366  317.988   12.230  330.129   27.831  315.082   13.615   49.371   2.0987   48.386   1.0477 0.9848824 2.345700 
1 1 1   16    4  -39 o   47.803   0.8511  307.286   10.927  286.523   18.416  318.568   13.575   46.097   1.4874   48.657   1.0387 -2.559616 1.814219 
1 1 1   16    4  -38 o   25.363   1.0574   86.555   7.2035   98.716   17.808   84.176   7.8767   26.859   2.4971   25.007   1.1727 1.851830 2.758731 
1 1 1   16    4  -37 o   25.542   1.0056   87.749   6.8987   87.692   12.478   87.775   8.2791   25.422   1.8399   25.537   1.2071 -0.1150894 2.200468 
1 1 1   16    4  -36 o   28.094   1.4790  106.606   11.121   99.387   13.499  121.856   19.619   27.075   1.8677   29.898   2.4651 -2.822838 3.092696 
1 1 1   16    4  -35 o   21.213   1.4594   60.872   8.2642   51.488   11.582   70.606   11.796   19.390   2.2667   22.795   1.9453 -3.404514 2.986930 
1 1 1   16    4  -34 o   33.065   1.0868  147.016   9.6522  147.544   13.761  146.505   13.542   33.103   1.5477   32.987   1.5284 0.1157036 2.175211 
1 1 1   16    4  -33 o  140.598   1.4762  2660.32   55.745  2605.50   77.893  2717.88   79.814  138.995   2.0864  141.960   2.0932 -2.964020 2.955484 
1 1 1   16    4  -32 o   50.421   0.9627  341.701   13.038  338.757   18.329  344.716   18.550   50.184   1.3599   50.623   1.3643 -0.4391975 1.926245 
1 1 1   16    4  -31 o  109.609   1.2334  1615.44   36.311  1577.49   50.619  1655.66   52.116  108.249   1.7410  110.897   1.7497 -2.648499 2.468289 
1 1 1   16    4  -30 o   24.031   1.3377   77.896   8.5999   70.939   11.459   86.868   13.013   22.876   1.8817   25.325   1.9275 -2.448986 2.693685 
1 1 1   16    4  -29 o   98.435   1.3341  1302.86   35.271  1271.85   42.595  1370.49   62.909   97.227   1.6311  100.831   2.3229 -3.604050 2.838358 
1 1 1   16    4  -28 o   66.801   1.1293  599.769   20.262  606.089   35.387  596.686   24.714   67.096   1.9636   66.615   1.3813 0.4807129 2.400769 
1 1 1   16    4  -27 o  122.959   1.3269  2032.52   43.822  2063.43   62.468  2002.56   61.491  123.826   1.8782  121.986   1.8768 1.839890 2.655183 
1 1 1   16    4  -26 o   84.850   1.0632  967.451   24.231  971.463   34.322  963.464   34.213   85.000   1.5034   84.649   1.5048 0.3507538 2.127074 
1 1 1   16    4  -25 f  168.399   1.6999  3813.70   76.886  3855.86  109.392  3772.54  108.088  169.209   2.4070  167.371   2.4044 1.837692 3.402135 
1 1 1   16    4  -24 o  108.524   1.4045  1583.00   40.940  1508.15   68.837  1623.97   50.925  105.838   2.4215  109.895   1.7253 -4.056969 2.973292 
1 1 1   16    4  -23 o  192.368   2.6975  4983.64  139.374  5016.00  197.891  4951.79  196.326  192.720   3.8230  191.484   3.8173 1.235870 5.402497 
1 1 1   16    4  -22 o  109.877   1.2191  1622.16   35.977  1613.25   50.646  1631.24   51.117  109.547   1.7213  110.155   1.7277 -0.6084900 2.438806 
1 1 1   16    4  -21 o  148.411   1.5255  2960.09   60.809  2930.96   85.472  2989.94   86.532  147.626   2.1556  149.104   2.1607 -1.477417 3.052107 
1 1 1   16    4  -20 o   56.341   0.9278  426.399   14.041  435.020   19.927  417.898   19.787   56.901   1.3039   55.770   1.3210 1.131424 1.856081 
1 1 1   16    4  -19 o   88.077   1.5137  1042.42   35.809  1006.98   49.772  1080.45   51.557   86.542   2.1412   89.643   2.1413 -3.101578 3.028224 
1 1 1   16    4  -18 o  105.117   1.1792  1484.39   33.293  1468.43   46.819  1500.71   47.354  104.533   1.6675  105.676   1.6683 -1.142471 2.358816 
1 1 1   16    4  -17 o   55.439   0.9163  412.835   13.644  404.215   19.130  421.762   19.467   54.852   1.2984   56.030   1.2935 -1.177956 1.832809 
1 1 1   16    4  -16 o   29.979   1.0571  120.727   8.5117  120.696   11.879  120.761   12.202   29.972   1.4756   29.941   1.5223 0.3100204E-01 2.120107 
1 1 1   16    4  -15 o  111.980   1.2256  1684.50   36.862  1639.46   51.364  1732.33   52.932  110.458   1.7313  113.543   1.7357 -3.085350 2.451511 
1 1 1   16    4  -14 o   40.029   0.8235  215.215   8.8542  212.493   11.477  219.217   13.916   39.774   1.0743   40.396   1.2826 -0.6226196 1.673085 
1 1 1   16    4  -13 o   43.713   0.7535  256.643   8.8463  262.523   10.980  245.767   14.934   44.210   0.9247   42.773   1.2999 1.437183 1.595228 
1 1 1   16    4  -12 o   52.628   0.7795  371.996   11.018  366.234   18.872  374.976   13.572   52.214   1.3457   52.837   0.9563 -0.6233063 1.650894 
1 1 1   16    4  -11 o  237.739   2.0540  7595.28  131.155  7483.16  205.199  7672.73  170.537  235.864   3.2391  238.896   2.6578 -3.031616 4.189911 
1 1 1   16    4  -10 o  151.961   1.2552  3101.90   51.231  3118.67   72.657  3085.32   72.248  152.354   1.7755  151.537   1.7751 0.8168182 2.510670 
1 1 1   16    4   -9 o  118.673   1.1877  1891.69   37.856  1932.59   46.901  1815.26   64.122  119.942   1.4559  116.227   2.0540 3.715500 2.517668 
1 1 1   16    4   -8 o   41.732   0.7686  233.898   8.6149  243.552   12.094  223.953   12.275   42.582   1.0574   40.833   1.1192 1.749687 1.539716 
1 1 1   16    4   -7 o   39.236   0.7750  206.757   8.1670  194.192   11.278  220.609   11.842   38.023   1.1043   40.527   1.0879 -2.503960 1.550188 
1 1 1   16    4   -6 o   90.826   0.9397  1107.98   22.924  1114.85   32.556  1101.22   32.285   91.102   1.3305   90.543   1.3276 0.5588684 1.879528 
1 1 1   16    4   -5 o  178.152   1.5795  4263.70   75.581  4263.20  106.895  4264.19  106.881  178.112   2.2345  178.132   2.2339 -0.2066040E-01 3.159609 
1 1 1   16    4   -4 o  289.728   2.3630 11281.36  183.886 11302.56  273.047 11263.76  248.756  289.872   3.5070  289.413   3.2001 0.4587708 4.747624 
1 1 1   16    4   -3 f  204.971   1.7908  5644.57   98.592  5642.79  139.432  5646.35  139.427  204.896   2.5336  204.961   2.5327 -0.6462097E-01 3.582417 
1 1 1   16    4   -2 o  106.716   1.1637  1529.68   33.357  1551.36   42.612  1495.37   53.605  107.464   1.4763  105.498   1.8918 1.966629 2.399632 
1 1 1   16    4   -1 o   80.171   1.0385  863.299   22.363  884.170   30.144  837.751   33.350   81.130   1.3833   78.969   1.5724 2.161217 2.094253 
1 1 1   16    4    0 o  124.354   1.3055  2077.21   43.603  2129.51   88.715  2060.55   50.068  125.868   2.6241  123.850   1.5051 2.018021 3.025153 
1 1 1   16    4    1 o  145.222   1.3230  2832.87   51.606  2844.09   73.263  2821.81   72.704  145.493   1.8748  144.922   1.8678 0.5707550 2.646413 
1 1 1   16    4    2 o  220.917   1.7519  6556.80  103.952  6595.70  161.588  6529.33  135.778  221.509   2.7160  220.422   2.2934 1.086990 3.554752 
1 1 1   16    4    3 f  173.167   1.4060  4028.13   65.393  4048.01  101.613  4014.07   85.436  173.562   2.1797  172.848   1.8403 0.7138214 2.852688 
1 1 1   16    4    4 o  202.399   1.6170  5503.35   87.905  5450.96  135.286  5541.63  115.645  201.385   2.5011  203.076   2.1202 -1.691528 3.278846 
1 1 1   16    4    5 o  123.252   1.1057  2040.43   36.605  2071.63   54.716  2015.16   49.248  124.179   1.6405  122.478   1.4971 1.700745 2.220912 
1 1 1   16    4    6 o   31.068   0.7587  129.636   6.3311  124.545   9.3482  133.949   8.6048   30.450   1.1430   31.580   1.0145 -1.129328 1.528266 
1 1 1   16    4    7 o   39.988   0.7477  214.761   8.0304  210.677   11.467  218.692   11.249   39.604   1.0780   40.351   1.0379 -0.7465057 1.496481 
1 1 1   16    4    8 o   51.671   0.7403  358.587   10.275  337.980   14.198  381.242   14.888   50.163   1.0538   53.277   1.0404 -3.113911 1.480845 
1 1 1   16    4    9 o  211.077   1.6802  5985.76   95.255  5965.91  134.422  6005.79  135.002  210.684   2.3755  211.387   2.3778 -0.7028198 3.361042 
1 1 1   16    4   10 o  190.609   1.6790  4881.21   85.955  4868.87  121.324  4893.66  121.796  190.327   2.3733  190.811   2.3765 -0.4837036 3.358614 
1 1 1   16    4   11 o  167.576   1.3685  3772.35   61.594  3796.01   87.363  3748.96   86.854  168.077   1.9352  167.032   1.9360 1.044998 2.737327 
1 1 1   16    4   12 o  312.561   2.5430 13133.50  213.485 13225.25  318.053 13058.27  288.006  313.455   3.7777  311.530   3.4420 1.924805 5.110628 
1 1 1   16    4   13 o  151.208   1.3752  3071.50   55.852  3127.67   79.641  3017.14   78.348  152.560   1.9436  149.840   1.9467 2.720016 2.750865 
1 1 1   16    4   14 o  158.006   1.5943  3354.33   67.662  3399.54   96.239  3310.15   95.146  159.032   2.2531  156.927   2.2574 2.105072 3.189368 
1 1 1   16    4   15 o   39.608   0.8676  210.717   9.2304  197.266   12.733  225.613   13.400   38.321   1.2371   40.982   1.2174 -2.661125 1.735627 
1 1 1   16    4   16 o   70.469   0.8341  666.992   15.787  677.324   22.347  656.698   22.305   71.008   1.1717   69.918   1.1877 1.089828 1.668421 
1 1 1   16    4   17 o  113.805   1.0090  1739.72   30.841  1694.56   42.947  1787.81   44.317  112.306   1.4238  115.354   1.4304 -3.048370 2.018186 
1 1 1   16    4   18 o   91.281   0.9139  1119.21   22.407  1131.96   30.372  1103.98   33.192   91.792   1.2319   90.647   1.3633 1.145195 1.837403 
1 1 1   16    4   19 o  125.337   1.1315  2110.40   38.092  2101.43   51.395  2121.34   56.741  125.054   1.5302  125.637   1.6815 -0.5831985 2.273478 
1 1 1   16    4   20 o   20.487   1.1262   56.558   6.1734   55.982   7.6139   57.664   10.547   20.363   1.4006   20.621   1.9266 -0.2577610 2.381933 
1 1 1   16    4   21 o  165.273   1.4176  3670.56   62.929  3673.61   85.142  3666.90   93.422  165.299   1.9177  165.128   2.1064 0.1702881 2.848584 
1 1 1   16    4   22 o   74.827   0.9027  752.137   18.143  754.280   24.319  749.446   27.247   74.925   1.2084   74.680   1.3584 0.2453690 1.818117 
1 1 1   16    4   23 o   51.072   0.7759  350.367   10.643  358.691   15.130  342.212   14.975   51.669   1.0902   50.468   1.1047 1.201157 1.552080 
1 1 1   16    4   24 o  100.033   1.0175  1344.44   27.338  1359.57   38.765  1329.48   38.558  100.572   1.4351   99.452   1.4435 1.119415 2.035443 
1 1 1   16    4   25 f  119.021   1.0475  1903.45   33.486  1881.24   46.961  1926.42   47.761  118.294   1.4780  119.705   1.4855 -1.411392 2.095531 
1 1 1   16    4   26 o  128.544   1.1616  2220.63   40.106  2244.10   54.433  2192.76   59.318  129.182   1.5688  127.678   1.7297 1.504395 2.335196 
1 1 1   16    4   27 o   76.777   0.8912  791.997   18.378  821.777   25.950  762.025   26.032   78.190   1.2356   75.291   1.2873 2.899162 1.784358 
1 1 1   16    4   28 o  122.630   1.1776  2021.37   38.788  2033.16   50.063  2003.66   61.352  122.951   1.5160  122.008   1.8722 0.9426193 2.408987 
1 1 1   16    4   29 o   55.645   0.9430  416.082   14.093  419.016   18.816  412.332   21.271   55.827   1.2548   55.371   1.4303 0.4560890 1.902704 
1 1 1   16    4   30 o   82.653   0.8420  917.931   18.693  928.071   26.432  907.786   26.438   83.087   1.1844   82.173   1.1979 0.9140015 1.684583 
1 1 1   16    4   31 o   33.701   0.8033  152.608   7.2711  169.691   10.231  135.176   10.335   35.530   1.0721   31.708   1.2136 3.822691 1.619310 
1 1 1   16    4   32 o  109.166   0.9935  1601.82   29.130  1609.59   41.214  1594.06   41.179  109.384   1.4028  108.854   1.4084 0.5298767 1.987862 
1 1 1   16    4   33 o   64.230   0.7768  554.359   13.401  554.895   18.917  553.819   18.988   64.242   1.0963   64.180   1.1015 0.6266785E-01 1.554119 
1 1 1   16    4   34 o   60.141   0.8215  486.089   13.269  488.273   20.085  484.397   17.677   60.247   1.2412   60.019   1.0965 0.2286339 1.656174 
1 1 1   16    4   35 o   34.564   0.8993  160.594   8.3485  148.901   12.764  169.338   11.037   33.256   1.4289   35.480   1.1582 -2.224052 1.839321 
1 1 1   16    4   36 o   8.2675   2.4629   9.3669   5.8782   4.2650   8.2198   14.707   8.4094   7.3123   2.8689   10.273   2.9135 -2.960725 4.088892 
1 1 1   16    4   37 o   78.719   0.8846  833.186   18.703  845.439   27.923  823.215   25.189   79.238   1.3120   78.207   1.1992 1.031357 1.777454 
1 1 1   16    4   38 o   35.478   0.8870  169.264   8.4523  188.611   12.495  152.941   11.477   37.427   1.2430   33.701   1.2679 3.726208 1.775531 
1 1 1   16    4   39 o   31.971   0.9281  137.484   7.9699  148.003   10.604  123.827   12.082   33.155   1.1908   30.304   1.4844 2.850126 1.903019 
1 1 1   16    4   40 o   52.766   0.9435  374.560   13.371  399.863   20.602  356.142   17.577   54.462   1.4084   51.417   1.2727 3.045589 1.898251 
1 1 1   16    4   41 o   34.713   0.9045  162.097   8.4334  163.422   11.292  160.426   12.682   34.832   1.2070   34.497   1.3688 0.3353233 1.824903 
1 1 1   16    4   42 o   57.578   0.8035  445.851   12.426  457.685   17.492  433.794   17.656   58.299   1.1171   56.751   1.1583 1.547791 1.609198 
1 1 1   16    4   43 o   20.560   1.1891   57.148   6.5387   56.593   8.9661   57.777   9.5563   20.397   1.6507   20.596   1.7439 -0.1987915 2.401248 
1 1 1   16    4   44 o   38.279   0.8641  197.163   8.8838  216.646   12.565  177.688   12.562   40.095   1.1668   36.297   1.2886 3.797417 1.738310 
1 1 1   16    4   45 o   29.428   1.1108  116.704   8.7796  122.333   12.208  110.675   12.635   30.046   1.5177   28.550   1.6548 1.495863 2.245401 
1 1 1   16    4   46 o   38.701   0.9095  201.648   9.4538  190.533   11.451  225.441   16.754   37.593   1.1341   40.827   1.5279 -3.233898 1.902771 
1 1 1   16    4   47 o   15.664   1.5968   33.557   6.6243   31.748   8.5729   36.236   10.436   15.114   2.1745   16.088   2.4959 -0.9744864 3.310251 
1 1 1   16    4   48 o   26.407   1.3872   94.503   9.8045   93.093   18.595   95.046   11.539   25.883   2.7152   26.438   1.6330 -0.5542374 3.168412 
1 1 1   16    4   49 o   6.2162   2.5940   1.2205   7.2118   16.568   11.198  -9.6583   9.4275   10.916   3.4283   5.4100   2.5423 5.506340 4.268110 
1 1 1   16    4   50 o   32.276   1.0162  140.398   8.8097  140.021   12.145  140.817   12.799   32.180   1.4051   32.260   1.4771 -0.7983017E-01 2.038632 
1 1 1   16    4   51 o   5.3297   2.3833  -2.8186   6.9940  -1.0754   9.1361  -5.2864   10.871   6.4891   2.8188   6.4820   2.9287 0.7048607E-02 4.064833 
1 1 1   16    4   52 o   18.162   1.9010   45.425   9.1361   45.139   13.137   45.692   12.714   17.842   2.8363   17.992   2.7155 -0.1496124 3.926627 
1 1 1   16    4   53 o   23.038   1.3672   72.157   8.4221   63.658   12.836   78.581   11.160   21.401   2.2677   23.955   1.7466 -2.554632 2.862312 
1 1 1   16    4   54 o   9.1488   2.8910   11.707   7.9511   7.0721   12.542   14.821   10.281   8.8792   3.5246   10.252   3.2926 -1.372493 4.823284 
1 1 1   16    4   55 o   30.888   1.2737  129.496   10.567  133.922   14.938  125.063   14.950   31.203   1.7898   30.123   1.8569 1.080292 2.579040 
1 1 1   16    4   56 o   9.6445   2.9829   13.456   8.5135   15.457   12.076   11.480   12.004   10.453   3.5761   9.5470   3.5321 0.9058208 5.026343 
1 1 1   16    4   57 o   24.213   1.6214   80.902   10.484   89.119   16.213   74.997   13.743   25.007   2.4451   23.025   2.2510 1.981148 3.323531 
1 1 1   16    5  -56 o   14.315   4.4606   32.941   18.997   51.330   25.918   11.590   27.927   17.335   5.1733   11.786   5.0207 5.548692 7.209034 
1 1 1   16    5  -55 f   13.028   3.8161   25.908   14.211   31.450   26.489   23.668   16.839   14.346   5.2570   12.576   4.2232 1.769482 6.743286 
1 1 1   16    5  -54 o   13.969   3.2998   28.998   12.184   39.245   17.798   19.961   16.714   15.972   4.1213   11.940   4.2005 4.032122 5.884640 
1 1 1   16    5  -53 o   21.042   2.2107   61.623   12.307   51.446   17.284   72.089   17.528   18.687   3.5739   22.476   2.9767 -3.789499 4.651163 
1 1 1   16    5  -52 o   9.4362   3.4405   10.706   11.325  -4.1219   16.848   22.927   15.296   8.3934   3.7298   12.622   4.0121 -4.229006 5.478002 
1 1 1   16    5  -51 o   34.963   0.9267  164.726   8.7022  174.064   11.489  152.158   13.329   35.900   1.1915   33.513   1.4807 2.386524 1.900594 
1 1 1   16    5  -50 o   40.469   0.9731  220.704   10.578  225.606   14.672  215.399   15.264   40.853   1.3371   39.901   1.4243 0.9523544 1.953558 
1 1 1   16    5  -49 o   68.499   0.9156  631.970   16.846  641.617   26.501  625.428   21.822   68.876   1.4325   68.075   1.1935 0.8008118 1.864552 
1 1 1   16    5  -48 o   14.359   1.6178   28.280   6.1306   27.432   8.6220   29.148   8.7187   13.973   2.3828   14.427   2.3294 -0.4535351 3.332226 
1 1 1   16    5  -47 o   22.315   1.0379   67.116   6.2210   63.438   8.4009   71.581   9.2568   21.610   1.4559   22.951   1.5101 -1.341160 2.097614 
1 1 1   16    5  -46 o   27.985   0.9959  105.511   7.4855  108.022   9.8855  102.135   11.460   28.284   1.3013   27.426   1.5622 0.8579273 2.033204 
1 1 1   16    5  -45 f   12.516   1.6843   21.592   5.5186   23.055   6.3058   16.806   11.406   12.904   1.8742   11.014   3.4603 1.889280 3.935280 
1 1 1   16    5  -44 o   25.681   0.8730   88.763   6.0215   89.810   8.0480   87.431   9.0756   25.811   1.1609   25.417   1.3340 0.3939228 1.768420 
1 1 1   16    5  -43 o   31.944   0.7898  137.258   6.7762  135.396   9.1433  139.526   10.093   31.705   1.0737   32.177   1.1679 -0.4712734 1.586406 
1 1 1   16    5  -42 o   74.878   0.9267  754.478   18.637  730.557   30.214  769.171   23.679   73.554   1.5294   75.559   1.1668 -2.005280 1.923607 
1 1 1   16    5  -41 o   31.737   1.0169  135.576   8.6688  142.871   14.481  131.502   10.822   32.476   1.6658   31.235   1.2899 1.241106 2.106817 
1 1 1   16    5  -40 o   26.085   1.0167   91.573   7.1231   92.375   13.277   91.249   8.4406   26.061   1.9102   26.028   1.2074 0.3342438E-01 2.259748 
1 1 1   16    5  -39 o   15.949   1.4433   34.578   6.1157   33.516   16.447   34.748   6.5881   15.283   3.9706   15.973   1.5553 -0.6904049 4.264382 
1 1 1   16    5  -38 o   27.670   0.9522  102.995   7.0771  108.209   13.998  101.204   8.2026   28.237   1.8560   27.420   1.1137 0.8163776 2.164561 
1 1 1   16    5  -37 o   38.786   1.2155  202.537   12.663  208.215   21.296  199.432   15.750   39.187   2.0303   38.460   1.5247 0.7268600 2.539018 
1 1 1   16    5  -36 o   41.566   1.1419  232.498   12.748  238.414   16.436  223.565   20.197   42.065   1.4547   40.694   1.8478 1.371765 2.351731 
1 1 1   16    5  -35 o   35.065   1.3945  165.567   13.133  156.645   15.182  192.100   26.182   34.088   1.6582   37.555   2.6118 -3.467415 3.093735 
1 1 1   16    5  -34 o   36.522   1.0531  179.380   10.331  171.733   14.599  187.051   14.621   35.709   1.5221   37.272   1.4606 -1.562763 2.109493 
1 1 1   16    5  -33 o   24.777   1.3118   82.832   8.6987   85.385   12.099   80.100   12.515   25.106   1.8063   24.297   1.9337 0.8093662 2.646156 
1 1 1   16    5  -32 o   17.801   1.6197   43.012   7.6593   45.940   10.708   39.945   10.960   18.319   2.2218   17.022   2.4694 1.296906 3.321748 
1 1 1   16    5  -31 o   65.693   0.9805  580.055   17.300  589.598   24.438  570.466   24.495   66.204   1.3743   65.119   1.4005 1.085068 1.962163 
1 1 1   16    5  -30 o   86.128   1.0756  997.160   24.882  984.853   34.820  1010.00   35.570   85.555   1.5153   86.639   1.5285 -1.084007 2.152328 
1 1 1   16    5  -29 o  135.921   1.5338  2485.47   55.996  2483.73   73.965  2487.82   85.707  135.782   2.0281  135.821   2.3494 -0.3924561E-01 3.103689 
1 1 1   16    5  -28 o   59.994   1.1101  483.791   17.888  498.094   21.952  455.526   30.859   60.862   1.3429   58.160   1.9754 2.702259 2.388646 
1 1 1   16    5  -27 o  104.645   1.3743  1472.47   38.627  1422.32   65.720  1498.94   47.743  102.719   2.3821  105.548   1.6841 -2.829536 2.917283 
1 1 1   16    5  -26 o   31.110   1.0903  130.073   9.1105  131.353   12.845  128.778   12.924   31.252   1.5302   30.904   1.5621 0.3480110 2.186694 
1 1 1   16    5  -25 o   74.816   1.0012  752.122   20.119  740.002   28.156  764.766   28.759   74.190   1.4130   75.420   1.4197 -1.230751 2.002976 
1 1 1   16    5  -24 o   56.664   0.9384  431.383   14.282  430.185   20.197  432.581   20.198   56.572   1.3292   56.730   1.3256 -0.1574669 1.877240 
1 1 1   16    5  -23 o   88.908   1.1521  1062.19   27.512  1054.15   41.594  1068.43   36.683   88.536   1.7491   89.148   1.5320 -0.6121292 2.325162 
1 1 1   16    5  -22 o  117.711   1.8095  1863.25   57.208  2009.75   84.330  1738.35   77.865  122.168   2.5700  113.622   2.5514 8.545578 3.621422 
1 1 1   16    5  -21 o  229.324   2.2342  7075.39  137.616  6929.19  192.019  7229.78  197.326  226.738   3.1530  231.599   3.1722 -4.860687 4.472598 
1 1 1   16    5  -20 o  100.014   1.1479  1343.93   30.836  1310.22   42.971  1379.71   44.276   98.731   1.6204  101.315   1.6270 -2.584290 2.296324 
1 1 1   16    5  -19 f  191.832   1.8987  4947.36   97.832  4971.12  138.696  4923.83  138.016  192.188   2.6869  191.272   2.6865 0.9162598 3.799533 
1 1 1   16    5  -18 o   68.868   0.9620  637.096   17.794  620.942   25.034  653.592   25.297   67.980   1.3711   69.745   1.3504 -1.764900 1.924408 
1 1 1   16    5  -17 o   15.403   1.7472   32.297   7.1005   29.924   10.101   34.616   9.9829   14.689   2.6582   15.862   2.4198 -1.173433 3.594604 
1 1 1   16    5  -16 o   73.006   0.9797  715.943   19.210  703.505   27.034  728.631   27.302   72.361   1.3909   73.642   1.3803 -1.281120 1.959598 
1 1 1   16    5  -15 o   74.944   0.9541  754.436   19.206  774.968   24.078  718.522   31.845   75.953   1.1803   73.125   1.6214 2.828247 2.005464 
1 1 1   16    5  -14 o  150.352   1.4453  3037.18   58.365  3013.12   77.740  3068.25   88.357  149.730   1.9330  151.078   2.1775 -1.347839 2.911691 
1 1 1   16    5  -13 o  185.141   1.5602  4605.44   77.584  4600.39  115.060  4609.65  105.061  184.987   2.3158  185.189   2.1122 -0.2021484 3.134334 
1 1 1   16    5  -12 o  145.009   1.2081  2824.68   47.051  2785.33   72.352  2853.51   61.937  143.969   1.8711  145.733   1.5823 -1.764603 2.450453 
1 1 1   16    5  -11 o  293.258   2.5076 11562.22  197.515 11780.29  364.797 11471.78  234.930  295.627   4.5942  292.040   2.9951 3.586853 5.484293 
1 1 1   16    5  -10 o   85.594   0.9067  984.040   20.846  974.951   37.975  987.960   24.939   85.184   1.6598   85.762   1.0827 -0.5778809 1.981664 
1 1 1   16    5   -9 o  101.013   1.0104  1370.53   27.414  1377.69   38.915  1363.46   38.626  101.268   1.4307  100.744   1.4275 0.5241165 2.021055 
1 1 1   16    5   -8 o  139.034   1.1672  2596.55   43.587  2611.33   67.877  2586.19   56.858  139.408   1.8128  138.746   1.5257 0.6622009 2.369401 
1 1 1   16    5   -7 o   99.082   0.9974  1318.63   26.543  1334.43   37.759  1303.19   37.320   99.667   1.4105   98.493   1.4107 1.173508 1.994916 
1 1 1   16    5   -6 o  254.469   2.3102  8703.26  157.896  8702.78  211.839  8703.85  236.844  254.381   3.1005  254.350   3.4669 0.3031921E-01 4.651043 
1 1 1   16    5   -5 f  141.887   1.2999  2704.29   49.540  2648.33   69.336  2762.66   70.807  140.393   1.8387  143.392   1.8385 -2.998245 2.600192 
1 1 1   16    5   -4 o  144.155   1.4731  2791.64   57.037  2841.45   73.041  2713.80   91.308  145.421   1.8700  142.094   2.3924 3.326950 3.036557 
1 1 1   16    5   -3 o   73.372   1.0101  723.085   19.907  723.648   23.673  721.727   36.784   73.399   1.2008   73.290   1.8686 0.1083298 2.221181 
1 1 1   16    5   -2 o   60.584   1.2481  493.035   20.310  465.722   29.208  518.606   28.261   58.874   1.8471   62.130   1.6935 -3.255211 2.505924 
1 1 1   16    5   -1 o   69.279   1.0562  644.656   19.653  651.717   28.446  638.208   27.186   69.651   1.5205   68.926   1.4685 0.7248993 2.113862 
1 1 1   16    5    0 o  323.666   2.7569 14084.01  239.669 14227.18  341.208 13944.58  336.722  325.130   3.9072  321.887   3.8947 3.243073 5.516824 
1 1 1   16    5    1 o  199.335   1.5951  5338.10   85.399  5426.87  133.707  5276.93  110.987  200.934   2.4775  198.164   2.0852 2.770035 3.238221 
1 1 1   16    5    2 o  193.969   1.5562  5054.49   81.076  5099.47  126.308  5022.97  105.734  194.783   2.4143  193.339   2.0361 1.443314 3.158243 
1 1 1   16    5    3 o   44.422   0.8052  265.032   9.6074  250.380   14.235  277.291   13.020   43.174   1.2275   45.436   1.0669 -2.262146 1.626387 
1 1 1   16    5    4 o   71.984   0.9921  695.972   19.181  691.654   25.352  701.753   29.334   71.756   1.3154   72.275   1.5111 -0.5190659 2.003441 
1 1 1   16    5    5 f   64.584   0.8443  560.215   14.645  574.751   22.567  549.639   19.249   65.412   1.2845   63.969   1.1203 1.443104 1.704416 
1 1 1   16    5    6 o   83.765   0.8232  942.381   18.521  961.091   28.932  929.390   24.109   84.586   1.2735   83.182   1.0791 1.403847 1.669164 
1 1 1   16    5    7 o  162.555   1.3327  3549.63   58.188  3614.16   91.034  3505.06   75.662  163.995   2.0667  161.516   1.7441 2.478851 2.704308 
1 1 1   16    5    8 o  106.526   0.9555  1524.17   27.338  1560.01   42.809  1499.48   35.525  107.760   1.4790  105.654   1.2519 2.106186 1.937711 
1 1 1   16    5    9 o  186.368   1.6453  4666.52   82.358  4639.74  116.040  4693.71  116.908  185.791   2.3254  186.868   2.3292 -1.077072 3.291305 
1 1 1   16    5   10 o  156.234   1.3461  3279.01   56.487  3302.33   84.026  3259.78   76.301  156.760   1.9957  155.755   1.8239 1.004761 2.703562 
1 1 1   16    5   11 o  139.422   1.1754  2611.13   44.016  2595.52   67.755  2622.53   57.898  138.981   1.8151  139.714   1.5429 -0.7324219 2.382221 
1 1 1   16    5   12 o  201.817   1.6890  5472.77   91.557  5509.94  136.123  5442.06  123.726  202.438   2.5035  201.206   2.2894 1.231888 3.392492 
1 1 1   16    5   13 o   66.644   0.9139  596.565   16.360  622.824   23.358  571.282   22.920   68.090   1.2772   65.211   1.3086 2.878784 1.828576 
1 1 1   16    5   14 o  170.737   1.5283  3916.74   70.087  3947.00   90.839  3872.22  110.172  171.367   1.9736  169.702   2.4171 1.665176 3.120455 
1 1 1   16    5   15 o  115.598   1.4353  1795.38   44.565  1883.39   64.528  1715.12   61.621  118.370   2.0296  112.959   2.0310 5.411758 2.871290 
1 1 1   16    5   16 o  103.782   1.1534  1446.92   32.151  1429.72   40.361  1476.78   53.182  103.154   1.4567  104.820   1.8890 -1.665955 2.385441 
1 1 1   16    5   17 o  162.112   1.3941  3531.07   60.702  3535.24   82.121  3526.04   90.128  162.175   1.8853  161.948   2.0720 0.2263947 2.801354 
1 1 1   16    5   18 o  104.952   1.0399  1479.70   29.313  1480.20   41.328  1479.19   41.584  104.954   1.4660  104.918   1.4757 0.3620911E-01 2.080106 
1 1 1   16    5   19 f   81.249   0.8237  886.709   17.975  883.591   25.308  889.883   25.533   81.097   1.1619   81.385   1.1681 -0.2880249 1.647523 
1 1 1   16    5   20 o  119.816   1.0482  1928.63   33.734  1919.07   47.493  1938.37   47.923  119.497   1.4797  120.096   1.4857 -0.5990982 2.096857 
1 1 1   16    5   21 o   90.840   0.8719  1108.50   21.274  1101.54   29.894  1115.64   30.280   90.542   1.2293   91.119   1.2372 -0.5773468 1.744098 
1 1 1   16    5   22 o   36.772   0.7535  181.631   7.4418  190.189   10.371  172.549   10.684   37.624   1.0263   35.836   1.1100 1.788609 1.511778 
1 1 1   16    5   23 o   50.223   0.7992  338.832   10.781  345.175   15.155  332.334   15.341   50.683   1.1133   49.731   1.1485 0.9525719 1.599506 
1 1 1   16    5   24 o  132.125   1.2388  2346.22   43.960  2347.05   62.063  2345.38   62.277  132.098   1.7492  132.050   1.7559 0.4769897E-01 2.478487 
1 1 1   16    5   25 o   54.732   0.7330  402.417   10.776  403.804   15.126  400.987   15.355   54.818   1.0273   54.626   1.0465 0.1921730 1.466513 
1 1 1   16    5   26 o   70.305   0.7798  664.042   14.725  682.014   20.936  646.449   20.714   71.237   1.0942   69.354   1.1120 1.883110 1.560042 
1 1 1   16    5   27 o   45.812   0.7709  281.957   9.4861  273.586   12.474  293.438   14.609   45.119   1.0293   46.723   1.1641 -1.603714 1.553872 
1 1 1   16    5   28 o  113.839   1.1676  1742.07   35.699  1741.50   47.710  1742.79   53.812  113.777   1.5612  113.792   1.7607 -0.1506805E-01 2.353155 
1 1 1   16    5   29 o   42.562   0.8213  243.402   9.3885  252.357   12.052  229.580   14.973   43.331   1.0355   41.318   1.3492 2.013397 1.700815 
1 1 1   16    5   30 o   33.224   0.8264  148.322   7.3746  138.908   9.8489  160.337   11.126   32.144   1.1408   34.533   1.1995 -2.388592 1.655364 
1 1 1   16    5   31 o   18.434   1.2335   45.902   6.0722   45.123   8.4750   46.722   8.7042   18.222   1.7533   18.543   1.7692 -0.3208466 2.490761 
1 1 1   16    5   32 o   6.9341   2.3902   5.8771   5.3985   3.0933   7.9882   8.2172   7.3242   6.9751   2.7982   8.1420   2.7850 -1.166864 3.947883 
1 1 1   16    5   33 o   62.959   0.8028  532.703   13.575  537.836   19.742  528.100   18.696   63.237   1.1623   62.666   1.1108 0.5709877 1.607741 
1 1 1   16    5   34 o   44.081   0.7688  261.147   9.1029  267.156   12.770  254.939   12.979   44.571   1.0667   43.537   1.1100 1.033539 1.539442 
1 1 1   16    5   35 o  100.419   1.0434  1356.28   28.142  1352.48   39.629  1360.15   39.970  100.203   1.4724  100.485   1.4810 -0.2816925 2.088374 
1 1 1   16    5   36 o   25.310   1.0423   86.174   7.0855   90.470   10.639   82.751   9.4985   25.862   1.5385   24.742   1.4355 1.119999 2.104197 
1 1 1   16    5   37 o   40.205   0.9166  217.396   9.8978  236.017   13.969  198.622   14.026   41.867   1.2422   38.397   1.3600 3.469650 1.841973 
1 1 1   16    5   38 o   68.555   0.9358  632.183   17.232  639.522   23.306  623.333   25.595   68.907   1.2592   68.006   1.4012 0.9012527 1.883898 
1 1 1   16    5   39 o   51.891   1.0197  362.345   14.212  358.178   18.276  368.720   22.606   51.556   1.3198   52.266   1.6103 -0.7100792 2.082044 
1 1 1   16    5   40 o   33.530   0.8768  151.220   7.8963  148.935   10.968  153.679   11.378   33.250   1.2281   33.774   1.2542 -0.5232010 1.755366 
1 1 1   16    5   41 o   57.931   0.8055  451.344   12.534  429.372   17.252  475.906   18.241   56.464   1.1376   59.444   1.1425 -2.980228 1.612257 
1 1 1   16    5   42 o   37.262   0.8534  186.786   8.5406  186.637   11.896  186.944   12.270   37.217   1.1900   37.244   1.2265 -0.2666473E-01 1.708945 
1 1 1   16    5   43 o   51.734   0.8213  360.044   11.412  357.187   15.861  363.112   16.433   51.486   1.1469   51.906   1.1787 -0.4204254 1.644639 
1 1 1   16    5   44 o   24.555   1.0885   81.240   7.1791   79.151   9.9228   83.533   10.400   24.149   1.5378   24.806   1.5689 -0.6568031 2.196927 
1 1 1   16    5   45 f   26.312   0.9935   93.252   7.0213  104.876   9.1911   76.962   10.881   27.881   1.2273   23.772   1.7156 4.108740 2.109409 
1 1 1   16    5   46 o   10.712   2.2941   16.250   6.4014   18.290   8.6603   13.795   9.5045   11.306   2.8521   10.016   3.1604 1.290699 4.257033 
1 1 1   16    5   47 o   16.869   1.4426   38.756   6.4733   41.398   8.3479   34.771   10.252   17.370   1.8162   15.743   2.5087 1.626996 3.097121 
1 1 1   16    5   48 o   12.347   2.4215   21.570   7.7434   32.653   9.3587  -2.4859   13.788   15.281   2.3559   7.8080   3.4256 7.473090 4.157546 
1 1 1   16    5   49 o   38.008   0.9823  194.651   10.027  194.556   13.082  194.786   15.614   37.954   1.2833   37.930   1.5326 0.2350235E-01 1.998904 
1 1 1   16    5   50 o   25.182   1.2724   85.880   8.5781   91.747   12.826   81.131   11.539   25.911   1.8552   24.376   1.7745 1.534578 2.567233 
1 1 1   16    5   51 o   22.885   1.3138   71.049   8.0416   58.661   10.816   86.362   12.025   20.649   1.9742   25.136   1.7929 -4.486759 2.666831 
1 1 1   16    5   52 o   22.594   1.5063   69.564   9.0890   74.569   12.396   63.745   13.366   23.271   2.0027   21.396   2.3654 1.875452 3.099395 
1 1 1   16    5   53 o   15.529   2.1521   33.762   8.7347   50.804   12.443   17.206   12.264   18.989   2.5005   11.039   3.6005 7.950347 4.383582 
1 1 1   16    5   54 o   5.6491   2.5769  -4.9412   8.6653  -5.4375   12.488  -4.4803   12.034   6.9170   3.1309   6.8942   3.1013 0.2276802E-01 4.406852 
1 1 1   16    5   55 f   9.0442   2.9616   11.444   8.2949   6.1178   13.207   14.914   10.660   8.7632   3.5682   10.218   3.3578 -1.454537 4.899711 
1 1 1   16    5   56 o   11.379   3.0211   19.390   9.3883   22.982   14.370   16.716   12.401   12.247   3.8883   10.723   3.6240 1.524422 5.315330 
1 1 1   16    5   57 o   32.397   2.4852  150.141   21.460  120.000   31.817  175.300   29.068   27.146   4.5229   34.366   3.1854 -7.220251 5.532020 
1 1 1   16    6  -56 o   9.8594   4.4616  -3.4330   25.341   0.0000   0.0000  -3.4330   25.341  ?   ?    9.8594   4.4616 0.000000 4.461612 
1 1 1   16    6  -54 o   23.461   3.2225   80.416   19.770   0.0000   0.0000   80.416   19.770  ?   ?    23.461   3.2225 0.000000 3.222458 
1 1 1   16    6  -53 o   33.489   1.6505  153.087   14.846  156.874   20.356  148.785   21.699   33.592   2.2694   32.594   2.4977 0.9976845 3.374699 
1 1 1   16    6  -52 o   8.8233   3.4311   7.6482   11.676   18.707   15.689  -6.0803   17.480   11.706   4.0724   8.3055   3.7368 3.400359 5.527001 
1 1 1   16    6  -51 o   26.965   1.2640   98.336   9.1542   99.116   14.797   97.853   11.651   26.839   2.0687   26.789   1.6270 0.4970551E-01 2.631814 
1 1 1   16    6  -50 o   7.4953   2.3706   7.6201   5.3452   11.382   6.7513   1.3009   8.7499   8.9937   2.6291   6.7781   2.8449 2.215578 3.873721 
1 1 1   16    6  -49 o   27.903   0.9330  104.895   6.9925  107.034   9.2281  102.012   10.715   28.154   1.2203   27.416   1.4604 0.7383690 1.903158 
1 1 1   16    6  -48 o   41.393   0.8486  230.681   9.4342  234.822   12.090  224.235   15.085   41.730   1.0787   40.726   1.3791 1.004230 1.750829 
1 1 1   16    6  -47 o   35.584   0.9614  170.598   9.1882  177.692   12.053  160.758   14.197   36.278   1.2370   34.457   1.5339 1.821053 1.970560 
1 1 1   16    6  -46 o   13.362   1.8925   24.732   6.6022   33.674   12.352   21.155   7.8118   15.330   3.1062   12.216   2.4657 3.113482 3.965892 
1 1 1   16    6  -45 o   52.481   0.9256  370.916   13.046  390.751   26.372  364.489   15.012   53.649   1.8302   51.999   1.0749 1.649769 2.122487 
1 1 1   16    6  -44 o   27.183   1.1503   99.638   8.3985  102.304   13.916   98.111   10.533   27.385   1.9038   26.902   1.4633 0.4833603 2.401123 
1 1 1   16    6  -43 o   8.2146   2.4599   9.3201   5.8528   13.563   11.493   7.8343   6.8007   10.232   3.4887   7.8628   2.6836 2.369019 4.401450 
1 1 1   16    6  -42 o   15.389   1.5033   32.286   6.1342   32.000   11.762   32.393   7.1892   15.008   3.0225   15.369   1.7741 -0.3617439 3.504749 
1 1 1   16    6  -41 o   23.358   1.1154   73.487   6.9980   89.570   13.148   67.130   8.2660   25.644   1.9230   22.264   1.3892 3.379227 2.372279 
1 1 1   16    6  -40 f   30.691   0.9969  126.779   8.2181  117.034   14.179  131.709   10.085   29.361   1.8068   31.267   1.2008 -1.906424 2.169439 
1 1 1   16    6  -39 o   44.453   1.0431  265.977   12.454  274.980   17.547  256.836   17.680   45.152   1.4469   43.629   1.5088 1.523369 2.090418 
1 1 1   16    6  -38 o   22.083   1.7798   66.318   10.467   75.960   18.623   61.866   12.655   23.386   3.0365   21.241   2.2525 2.144512 3.780766 
1 1 1   16    6  -37 o   9.5593   2.8598   12.601   7.9133   23.547   11.396   2.4059   10.997   12.870   3.2854   7.7872   3.2225 5.082563 4.601985 
1 1 1   16    6  -36 o   51.056   1.0884  350.787   14.926  387.006   23.941  327.761   19.089   53.554   1.6644   49.314   1.4412 4.240070 2.201660 
1 1 1   16    6  -35 o   29.858   1.3198  120.054   10.584  121.899   13.319  116.892   17.435   30.018   1.6584   29.305   2.2318 0.7125835 2.780550 
1 1 1   16    6  -34 o  101.158   1.6505  1379.51   44.843  1385.44   51.883  1362.00   89.163  101.310   1.9067   99.933   3.3219 1.377502 3.830193 
1 1 1   16    6  -33 o   38.158   1.0327  195.799   10.584  197.773   14.911  193.796   15.026   38.325   1.4486   37.936   1.4746 0.3890839 2.067119 
1 1 1   16    6  -32 o   50.694   0.9716  345.489   13.230  346.207   18.712  344.771   18.707   50.720   1.3736   50.615   1.3760 0.1055183 1.944257 
1 1 1   16    6  -31 o   35.853   1.0459  172.816   10.072  171.639   14.333  173.965   14.157   35.710   1.4943   35.953   1.4661 -0.2426262 2.093423 
1 1 1   16    6  -30 o   72.460   1.0049  705.771   19.557  701.761   27.474  709.891   27.847   72.221   1.4163   72.637   1.4273 -0.4161224 2.010772 
1 1 1   16    6  -29 o   61.052   0.9660  500.961   15.840  503.280   22.229  498.569   22.576   61.170   1.3530   60.881   1.3806 0.2888832 1.933064 
1 1 1   16    6  -28 o  112.150   1.3358  1691.48   40.237  1701.29   53.392  1678.58   61.213  112.415   1.7683  111.617   2.0419 0.7984238 2.701125 
1 1 1   16    6  -27 o   61.270   1.1110  504.601   18.283  503.133   22.315  507.597   31.887   61.167   1.3583   61.395   1.9337 -0.2278976 2.363079 
1 1 1   16    6  -26 f   56.769   1.0856  433.153   16.552  436.202   28.806  431.650   20.225   56.922   1.8841   56.659   1.3290 0.2629509 2.305668 
1 1 1   16    6  -25 o   73.738   1.0006  730.672   19.817  725.577   27.948  735.825   28.104   73.457   1.4165   73.974   1.4145 -0.5170364 2.001816 
1 1 1   16    6  -24 o   33.956   1.0256  154.936   9.3538  155.944   13.369  153.970   13.092   34.055   1.4616   33.839   1.4404 0.2156029 2.052087 
1 1 1   16    6  -23 o   59.152   0.9390  470.116   14.918  451.677   20.783  489.715   21.427   57.966   1.3349   60.358   1.3217 -2.392082 1.878470 
1 1 1   16    6  -22 o   43.150   0.9592  250.158   11.117  257.333   15.800  243.123   15.644   43.755   1.3444   42.529   1.3695 1.225998 1.919120 
1 1 1   16    6  -21 o   92.327   1.5514  1145.99   38.471  1170.46   54.862  1122.32   53.962   93.259   2.1902   91.320   2.2001 1.938889 3.104405 
1 1 1   16    6  -20 o  128.042   1.5713  2203.91   54.039  2225.26   93.884  2193.33   66.084  128.536   2.7194  127.703   1.9267 0.8325195 3.332762 
1 1 1   16    6  -19 o   61.112   1.0064  501.737   16.519  521.011   22.053  477.098   24.933   62.267   1.3186   59.578   1.5581 2.689156 2.041193 
1 1 1   16    6  -18 o  112.963   1.1639  1714.45   35.315  1743.61   47.612  1678.79   52.653  113.899   1.5563  111.750   1.7542 2.149284 2.345087 
1 1 1   16    6  -17 o  159.043   1.5186  3399.31   64.873  3361.45   86.290  3448.52   98.383  158.111   2.0319  160.119   2.2876 -2.007980 3.059719 
1 1 1   16    6  -16 o  237.530   2.0591  7585.97  131.368  7580.39  185.687  7591.56  185.878  237.303   2.9133  237.477   2.9142 -0.1746368 4.120645 
1 1 1   16    6  -15 o   69.371   0.8423  646.401   15.694  661.104   22.322  632.029   22.069   70.150   1.1847   68.589   1.1979 1.560196 1.684823 
1 1 1   16    6  -14 o  151.356   1.2542  3077.71   50.987  3068.43   78.972  3084.35   66.768  151.087   1.9461  151.499   1.6409 -0.4114838 2.545491 
1 1 1   16    6  -13 f   44.421   0.6870  265.030   8.1963  276.180   13.164  257.970   10.474   45.343   1.0809   43.824   0.8899 1.518410 1.400068 
1 1 1   16    6  -12 o   16.886   0.9987   38.435   4.5095   22.041   7.1138   49.448   5.8307   12.626   2.1763   19.152   1.1386 -6.526443 2.456175 
1 1 1   16    6  -11 o   62.458   0.8486  523.967   14.237  535.352   21.463  515.022   19.024   63.127   1.2659   61.919   1.1439 1.208340 1.706136 
1 1 1   16    6  -10 o  133.875   1.2427  2407.64   44.683  2341.20   69.631  2454.16   58.261  131.985   1.9642  135.148   1.6050 -3.163376 2.536569 
1 1 1   16    6   -9 o  120.200   1.2712  1940.90   41.041  1990.83   67.983  1912.27   51.481  121.705   2.0797  119.299   1.6066 2.406067 2.628006 
1 1 1   16    6   -8 o   80.566   0.9946  871.851   21.523  887.297   30.499  856.527   30.378   81.269   1.3972   79.847   1.4164 1.421967 1.989626 
1 1 1   16    6   -7 o  103.619   0.9796  1442.17   27.262  1429.15   40.332  1453.13   36.994  103.140   1.4559  104.005   1.3243 -0.8650360 1.968098 
1 1 1   16    6   -6 o   77.913   1.1354  815.411   23.760  795.576   33.467  835.566   33.737   76.951   1.6193   78.861   1.5927 -1.910858 2.271306 
1 1 1   16    6   -5 o  169.323   1.4405  3851.63   65.511  3955.67   98.741  3769.82   87.558  171.558   2.1429  167.491   1.9463 4.067230 2.894811 
1 1 1   16    6   -4 o  222.480   1.8421  6651.03  110.079  6703.56  149.847  6589.46  162.240  223.304   2.4984  221.374   2.7286 1.930771 3.699615 
1 1 1   16    6   -3 o  102.287   1.0184  1405.34   27.978  1406.87   44.462  1404.34   35.999  102.330   1.6177  102.245   1.3108 0.8453369E-01 2.082118 
1 1 1   16    6   -2 o  100.090   1.0040  1345.59   26.991  1329.63   42.651  1356.25   34.860   99.482   1.5962  100.480   1.2917 -0.9979935 2.053367 
1 1 1   16    6   -1 o  187.417   1.7428  4719.46   87.728  4769.73  108.176  4622.86  149.941  188.389   2.1379  185.399   3.0111 2.990463 3.692838 
1 1 1   16    6    0 o  105.095   1.0916  1483.57   30.813  1472.75   37.602  1505.68   53.758  104.706   1.3371  105.855   1.8908 -1.148872 2.315759 
1 1 1   16    6    1 o   98.510   1.0434  1303.45   27.608  1308.62   33.950  1293.37   47.437   98.700   1.2807   98.111   1.8002 0.5895004 2.209223 
1 1 1   16    6    2 o   99.707   1.0538  1335.33   28.221  1361.24   38.285  1304.50   41.761  100.662   1.4160   98.538   1.5779 2.124138 2.120107 
1 1 1   16    6    3 o  112.003   1.0829  1685.02   32.577  1645.15   41.530  1748.78   52.523  110.663   1.3972  114.086   1.7141 -3.422951 2.211401 
1 1 1   16    6    4 o  212.830   1.8557  6086.60  106.082  6146.38  137.821  5999.70  166.172  213.831   2.3997  211.215   2.9291 2.616226 3.786591 
1 1 1   16    6    5 o   97.905   1.1066  1287.54   29.099  1283.54   36.890  1294.13   47.345   97.746   1.4051   98.139   1.7962 -0.3922272 2.280472 
1 1 1   16    6    6 o   75.993   1.0372  775.690   21.171  801.560   28.477  743.722   31.655   77.244   1.3726   74.401   1.5840 2.843018 2.095974 
1 1 1   16    6    7 o  135.179   1.2528  2454.71   45.486  2449.39   58.629  2462.74   72.092  135.020   1.6167  135.372   1.9827 -0.3517151 2.558293 
1 1 1   16    6    8 o  130.184   1.3583  2276.78   47.496  2313.23   55.368  2175.24   92.414  131.214   1.5710  127.184   2.7053 4.030151 3.128372 
1 1 1   16    6    9 o  116.982   1.1251  1838.24   35.350  1840.54   49.890  1835.92   50.095  117.041   1.5870  116.894   1.5956 0.1473007 2.250441 
1 1 1   16    6   10 o  120.718   1.1502  1957.59   37.296  1941.23   52.442  1974.32   53.052  120.198   1.6244  121.217   1.6294 -1.019913 2.300809 
1 1 1   16    6   11 o  144.310   1.2640  2797.69   48.993  2799.19   72.518  2796.43   66.452  144.321   1.8708  144.258   1.7151 0.6272888E-01 2.537972 
1 1 1   16    6   12 o  189.234   1.5267  4811.48   77.597  4970.06  122.397  4704.91  100.339  192.259   2.3702  187.093   1.9967 5.165680 3.099196 
1 1 1   16    6   13 f  117.414   1.0776  1851.91   33.984  1787.60   54.920  1891.81   43.261  115.331   1.7729  118.663   1.3573 -3.331909 2.232848 
1 1 1   16    6   14 o   78.107   0.9226  819.460   19.356  861.730   33.446  798.174   23.734   80.081   1.5550   77.081   1.1464 2.999352 1.931893 
1 1 1   16    6   15 o  104.981   0.9588  1480.44   27.036  1489.98   41.691  1473.51   35.517  105.302   1.4741  104.726   1.2627 0.5757828 1.940928 
1 1 1   16    6   16 o   9.5308   2.1740   12.705   5.4421   18.721   8.2204   8.0107   7.2611   11.564   2.6962   8.0867   2.7729 3.477720 3.867637 
1 1 1   16    6   17 o   73.340   0.9634  722.547   18.978  724.380   26.421  720.595   27.276   73.423   1.3398   73.230   1.3867 0.1934662 1.928215 
1 1 1   16    6   18 o   94.623   0.9299  1202.76   23.634  1227.27   32.338  1174.64   34.628   95.571   1.2598   93.495   1.3789 2.076447 1.867757 
1 1 1   16    6   19 o   71.601   0.7800  688.647   15.000  699.611   21.195  677.647   21.230   72.161   1.0936   71.019   1.1130 1.142326 1.560321 
1 1 1   16    6   20 o   27.312   0.8405  100.208   6.1662  106.083   8.4646   93.566   9.0007   28.098   1.1216   26.387   1.2700 1.711481 1.694331 
1 1 1   16    6   21 o   32.062   0.7935  138.087   6.8334  139.274   9.1821  136.614   10.231   32.196   1.0618   31.885   1.1946 0.3110180 1.598301 
1 1 1   16    6   22 o   22.491   0.9900   67.968   5.9803   67.860   8.4466   68.076   8.4684   22.424   1.4096   22.460   1.4110 -0.3566551E-01 1.994439 
1 1 1   16    6   23 o  137.976   1.2829  2558.90   47.542  2545.47   66.897  2572.60   67.577  137.553   1.8107  138.283   1.8194 -0.7298279 2.566886 
1 1 1   16    6   24 o   55.351   0.7346  411.573   10.921  400.474   15.219  423.359   15.682   54.591   1.0379   56.129   1.0402 -1.538013 1.469476 
1 1 1   16    6   25 o   39.794   0.7401  212.740   7.9103  216.531   10.985  208.656   11.401   40.141   1.0188   39.402   1.0772 0.7381859 1.482737 
1 1 1   16    6   26 f   50.052   0.7297  336.563   9.8093  341.949   13.634  330.784   14.123   50.443   1.0063   49.610   1.0599 0.8322372 1.461568 
1 1 1   16    6   27 o   38.191   0.7994  195.966   8.2002  195.766   11.351  196.185   11.860   38.163   1.1074   38.202   1.1559 -0.3925705E-01 1.600698 
1 1 1   16    6   28 o   56.845   0.7924  434.171   12.098  440.514   16.179  426.126   18.220   57.248   1.0522   56.298   1.2050 0.9502487 1.599696 
1 1 1   16    6   29 o   46.382   0.9029  289.112   11.248  285.652   15.602  292.855   16.230   46.089   1.2604   46.665   1.2949 -0.5757370 1.807020 
1 1 1   16    6   30 o   59.305   0.8755  472.659   13.946  472.033   20.233  473.225   19.249   59.243   1.2715   59.322   1.2081 -0.7907104E-01 1.753939 
1 1 1   16    6   31 o   77.357   0.8899  804.269   18.489  814.052   25.971  794.216   26.327   77.796   1.2429   76.839   1.2756 0.9568405 1.781026 
1 1 1   16    6   32 o   50.354   0.8029  340.750   10.858  341.076   14.194  340.289   16.861   50.365   1.0493   50.294   1.2481 0.7089233E-01 1.630581 
1 1 1   16    6   33 o   24.523   0.9604   80.855   6.3256   79.666   8.6470   82.223   9.2777   24.293   1.3303   24.673   1.4058 -0.3804798 1.935440 
1 1 1   16    6   34 o   21.763   1.1527   63.903   6.7139   63.282   9.0389   64.667   10.028   21.614   1.5677   21.831   1.7242 -0.2169456 2.330348 
1 1 1   16    6   35 o   50.780   0.8450  346.689   11.526  344.155   14.782  350.619   18.408   50.576   1.0881   51.024   1.3432 -0.4480705 1.728637 
1 1 1   16    6   36 o   4.5489   2.0546  -2.8891   5.3448  -9.5360   6.7565   8.2257   8.7370   4.2861   2.0533   8.4336   3.0294 -4.147429 3.659701 
1 1 1   16    6   37 o   52.789   0.8670  374.758   12.293  376.073   17.214  373.389   17.563   52.846   1.2127   52.654   1.2419 0.1924286 1.735784 
1 1 1   16    6   38 o   26.941   1.0807   97.702   7.8199  101.011   11.436   94.797   10.717   27.315   1.5653   26.466   1.5139 0.8492527 2.177629 
1 1 1   16    6   39 o   46.036   0.8016  284.995   9.9116  284.832   13.723  285.172   14.332   45.995   1.1108   46.017   1.1595 -0.2218246E-01 1.605745 
1 1 1   16    6   40 f   44.413   0.8585  265.328   10.241  263.953   14.879  266.565   14.117   44.257   1.2517   44.484   1.1815 -0.2267113 1.721273 
1 1 1   16    6   41 o   29.135   0.9937  114.266   7.7762  109.774   11.129  118.551   10.870   28.482   1.4597   29.646   1.3651 -1.164351 1.998568 
1 1 1   16    6   42 o   74.392   0.8531  744.591   17.045  739.779   23.717  749.730   24.513   74.085   1.1919   74.574   1.2238 -0.4892883 1.708336 
1 1 1   16    6   43 o   38.111   0.8690  195.465   8.8957  179.951   12.087  213.801   13.140   36.528   1.2320   39.816   1.2287 -3.288036 1.739932 
1 1 1   16    6   44 o   31.313   1.0540  132.124   8.8645  139.400   12.302  124.268   12.784   32.118   1.4261   30.264   1.5782 1.854458 2.127052 
1 1 1   16    6   45 o   25.137   1.0590   85.166   7.1496   89.064   9.3849   79.774   11.037   25.639   1.3678   24.199   1.7091 1.439642 2.189011 
1 1 1   16    6   46 o   21.986   1.1569   65.391   6.8079   67.813   8.9876   62.129   10.428   22.336   1.5070   21.310   1.8399 1.025455 2.378277 
1 1 1   16    6   47 o   14.064   1.8385   27.315   6.7787   30.743   9.4574   23.693   9.7211   14.788   2.4681   12.856   2.8861 1.932234 3.797505 
1 1 1   16    6   48 o   16.439   1.7419   37.076   7.5740   39.824   9.7376   32.866   12.051   16.944   2.1909   15.142   3.0681 1.802109 3.770091 
1 1 1   16    6   49 o   5.3563   2.4025  -3.1046   7.1648  -1.7822   9.0118  -5.3766   11.812   6.3255   2.7725   6.7956   3.0633 -0.4700184 4.131625 
1 1 1   16    6   50 o   27.848   1.1002  104.644   8.2288  101.304   11.383  108.300   11.909   27.291   1.5594   28.216   1.5777 -0.9254112 2.218327 
1 1 1   16    6   51 o   21.186   1.5574   61.240   8.8000   68.468   12.291   53.638   12.605   22.276   2.0782   19.587   2.4496 2.689280 3.212375 
1 1 1   16    6   52 o   28.872   1.3491  112.989   10.462   94.268   15.906  127.263   13.889   26.052   2.2967   30.513   1.7015 -4.460966 2.858354 
1 1 1   16    6   53 o   30.303   1.3081  124.588   10.647  112.921   14.502  138.230   15.681   28.630   1.8966   31.707   1.8493 -3.077108 2.648992 
1 1 1   16    6   54 o   20.234   1.9131   56.853   10.274   55.880   16.523   57.466   13.118   19.471   3.2757   20.125   2.4792 -0.6543083 4.108159 
1 1 1   16    6   55 o   37.080   1.4397  187.761   14.339  217.000   31.978  180.402   16.042   38.611   3.1098   36.253   1.6475 2.358105 3.519266 
1 1 1   16    6   56 o   10.214   3.5976   14.824   12.264   8.6250   23.070   17.266   14.479   10.700   4.5607   10.934   3.9029 -0.2348909 6.002672 
1 1 1   16    7  -55 o   14.139   4.2152   32.157   17.213   0.0000   0.0000   32.157   17.213  ?   ?    14.139   4.2152 0.000000 4.215196 
1 1 1   16    7  -54 o   13.457   4.3405   28.249   17.852   0.0000   0.0000   28.249   17.852  ?   ?    13.457   4.3405 0.000000 4.340461 
1 1 1   16    7  -53 o   28.795   1.9258  114.633   14.808  120.812   21.602  109.156   20.339   29.115   2.7968   27.677   2.7734 1.437637 3.938749 
1 1 1   16    7  -52 o   17.528   2.7612   43.984   12.569   40.385   17.929   47.463   17.625   16.260   4.1048   17.779   3.8059 -1.519096 5.597692 
1 1 1   16    7  -51 o   15.953   2.8567   36.511   11.791   42.166   16.603   30.757   16.748   16.842   3.7650   14.329   4.1272 2.512720 5.586452 
1 1 1   16    7  -50 o   4.9305   2.3088  -7.3992   7.6600 -13.1926   11.550  -2.8499   10.235   5.8135   2.7565   6.5815   2.9167 -0.7680030 4.013172 
1 1 1   16    7  -49 o   24.648   1.4933   82.599   9.8392   86.438   13.770   78.595   14.064   25.080   2.0625   23.864   2.2196 1.216078 3.029942 
1 1 1   16    7  -48 o   49.877   0.9179  335.130   12.297  350.614   20.948  326.989   15.190   50.875   1.5330   49.224   1.1489 1.650951 1.915781 
1 1 1   16    7  -47 o   34.898   0.9888  164.128   9.2683  177.151   16.062  157.626   11.348   36.142   1.6546   34.166   1.2366 1.976299 2.065653 
1 1 1   16    7  -46 o   18.306   1.6380   45.782   7.9686   54.171   18.575   43.890   8.8215   19.331   3.7124   17.875   1.8649 1.456926 4.154521 
1 1 1   16    7  -45 o   39.071   0.9344  205.631   9.8061  211.365   16.883  202.712   12.047   39.499   1.5913   38.762   1.1571 0.7375717 1.967518 
1 1 1   16    7  -44 o   38.878   0.9678  203.615   10.106  201.366   20.840  204.306   11.556   38.411   2.0271   38.926   1.1053 -0.5143166 2.308883 
1 1 1   16    7  -43 o   16.822   1.5487   38.599   6.9187   28.070   11.746   44.194   8.5616   13.973   3.1987   17.964   1.7986 -3.990703 3.669658 
1 1 1   16    7  -42 o   62.781   0.8833  530.492   14.895  524.623   24.582  533.896   18.723   62.313   1.4688   62.943   1.1075 -0.6304436 1.839506 
1 1 1   16    7  -41 o   28.519   0.9809  109.496   7.5138   95.099   13.433  116.052   9.0644   26.420   1.9058   29.346   1.1500 -2.926052 2.225858 
1 1 1   16    7  -40 o   54.780   1.0980  404.165   16.156  437.189   21.770  363.682   24.103   56.918   1.4240   51.853   1.7306 5.064835 2.241183 
1 1 1   16    7  -39 o   48.146   1.1400  312.209   14.741  304.369   19.051  323.909   23.273   47.488   1.4936   48.940   1.7705 -1.451340 2.316339 
1 1 1   16    7  -38 o   41.465   1.0801  231.471   12.029  222.503   16.592  241.408   17.464   40.604   1.5213   42.292   1.5374 -1.687614 2.162910 
1 1 1   16    7  -37 o   44.267   1.2041  263.936   14.316  268.414   24.784  261.693   17.538   44.514   2.0729   44.046   1.4825 0.4683189 2.548456 
1 1 1   16    7  -36 o   21.947   1.6753   65.406   9.8013   74.936   16.258   59.965   12.285   23.325   2.6417   20.919   2.2204 2.405739 3.450868 
1 1 1   16    7  -35 o   63.045   1.0903  534.901   18.462  532.086   28.419  536.957   24.284   62.788   1.6852   63.118   1.4325 -0.3303070 2.211719 
1 1 1   16    7  -34 o   49.018   1.1016  323.316   14.503  335.957   19.047  305.876   22.373   49.935   1.4201   47.608   1.7496 2.327747 2.253443 
1 1 1   16    7  -33 o   59.220   1.2494  472.046   19.873  466.213   22.358  494.000   43.376   58.835   1.4148   60.338   2.6765 -1.503555 3.027441 
1 1 1   16    7  -32 o   60.364   0.9840  489.955   15.953  487.382   22.496  492.557   22.627   60.167   1.3921   60.486   1.3928 -0.3184738 1.969191 
1 1 1   16    7  -31 o  108.141   1.2300  1573.27   35.726  1578.55   50.539  1567.99   50.511  108.229   1.7386  107.865   1.7435 0.3636246 2.462167 
1 1 1   16    7  -30 o   28.906   1.1360  112.364   8.8202  115.578   12.334  109.001   12.618   29.256   1.5754   28.400   1.6614 0.8561344 2.289597 
1 1 1   16    7  -29 o   73.324   1.0096  722.731   19.884  718.744   28.030  726.770   28.211   73.086   1.4279   73.493   1.4292 -0.4068222 2.020253 
1 1 1   16    7  -28 o   51.168   0.9525  351.895   13.091  337.772   18.112  367.342   18.942   50.111   1.3457   52.258   1.3495 -2.147217 1.905799 
1 1 1   16    7  -27 o   65.898   0.9767  583.639   17.287  567.235   23.994  601.342   24.926   64.940   1.3756   66.863   1.3880 -1.922920 1.954171 
1 1 1   16    7  -26 o   77.705   1.1847  811.762   24.725  836.476   30.541  764.754   42.121   78.859   1.4419   75.337   2.0816 3.521774 2.532238 
1 1 1   16    7  -25 o   71.531   1.2672  687.952   24.346  713.645   38.633  671.026   31.357   72.794   1.9759   70.617   1.6532 2.177231 2.576294 
1 1 1   16    7  -24 o   99.256   1.1516  1324.23   30.701  1286.41   42.774  1364.42   44.092   97.784   1.6286  100.705   1.6301 -2.921242 2.304267 
1 1 1   16    7  -23 o  117.924   1.2869  1869.46   40.760  1849.13   57.244  1890.36   58.052  117.221   1.8182  118.519   1.8236 -1.298790 2.575136 
1 1 1   16    7  -22 o   65.565   0.9610  577.618   16.924  573.706   23.843  581.589   24.025   65.326   1.3589   65.773   1.3600 -0.4471588 1.922527 
1 1 1   16    7  -21 o   81.623   1.0347  895.215   22.683  883.493   31.854  907.274   32.308   81.064   1.4630   82.147   1.4643 -1.083664 2.069887 
1 1 1   16    7  -20 o   15.277   2.2065   32.065   8.7919   12.725   10.676   72.826   15.499   10.029   3.3627   23.113   2.5384 -13.08472 4.213180 
1 1 1   16    7  -19 o  193.624   1.9128  5042.83   99.478  4966.34  160.523  5090.52  126.751  191.896   3.1144  194.442   2.4270 -2.546066 3.948431 
1 1 1   16    7  -18 o   22.666   0.9741   69.021   5.9300   61.516   8.6019   75.819   8.1862   21.339   1.5106   23.718   1.2899 -2.378311 1.986359 
1 1 1   16    7  -17 o   70.344   0.8853  664.723   16.726  638.752   22.197  698.844   25.442   68.948   1.1986   72.114   1.3135 -3.166542 1.778216 
1 1 1   16    7  -16 o  142.948   1.2527  2745.66   48.095  2781.38   71.915  2716.75   64.691  143.829   1.8616  142.162   1.6942 1.666733 2.517094 
1 1 1   16    7  -15 o  115.032   1.0130  1777.63   31.297  1727.86   47.889  1814.73   41.349  113.385   1.5725  116.213   1.3247 -2.828354 2.056111 
1 1 1   16    7  -14 o  202.144   1.6912  5492.16   91.821  5525.40  136.681  5464.82  123.958  202.653   2.5111  201.570   2.2896 1.082947 3.398209 
1 1 1   16    7  -13 o  146.467   1.2764  2882.26   50.212  2924.91   75.168  2847.89   67.475  147.507   1.8973  145.564   1.7258 1.942657 2.564780 
1 1 1   16    7  -12 o   67.368   0.7445  609.584   13.471  604.463   18.960  614.804   19.144   67.080   1.0523   67.651   1.0536 -0.5713654 1.489120 
1 1 1   16    7  -11 o   38.626   0.8327  200.404   8.6392  201.243   13.145  199.766   11.462   38.703   1.2645   38.562   1.1067 0.1405220 1.680398 
1 1 1   16    7  -10 o   34.231   0.7400  157.380   6.8035  154.577   9.0724  160.983   10.284   33.923   0.9957   34.618   1.1061 -0.6948090 1.488259 
1 1 1   16    7   -9 o   25.173   0.9244   85.119   6.2501   94.740   8.4943   73.761   9.2294   26.556   1.1909   23.384   1.4771 3.172661 1.897373 
1 1 1   16    7   -8 o  154.245   1.5595  3196.77   64.610  3195.93   91.214  3197.61   91.532  154.184   2.2026  154.224   2.2097 -0.3997803E-01 3.119927 
1 1 1   16    7   -7 o  177.963   1.5808  4255.46   75.561  4337.24  108.239  4177.72  105.531  179.617   2.2436  176.284   2.2288 3.332901 3.162484 
1 1 1   16    7   -6 o  148.170   1.2866  2949.37   51.202  2961.16   69.560  2935.43   75.645  148.445   1.7446  147.790   1.9056 0.6549988 2.583634 
1 1 1   16    7   -5 o   74.707   0.8584  749.633   17.224  759.005   24.727  740.799   24.007   75.167   1.2247   74.260   1.2036 0.9065933 1.717188 
1 1 1   16    7   -4 o  154.894   1.3356  3223.16   55.565  3247.04   82.852  3203.64   74.908  155.434   1.9846  154.402   1.8063 1.032242 2.683488 
1 1 1   16    7   -3 o  111.894   1.0860  1681.80   32.639  1705.99   46.671  1658.64   45.662  112.683   1.5420  111.108   1.5301 1.574501 2.172339 
1 1 1   16    7   -2 o  103.864   0.9820  1449.02   27.394  1495.90   41.429  1412.60   36.517  105.519   1.4618  102.543   1.3259 2.976105 1.973492 
1 1 1   16    7   -1 o   59.791   0.7551  480.149   12.127  485.144   16.682  474.550   17.660   60.098   1.0335   59.437   1.1062 0.6606445 1.513871 
1 1 1   16    7    0 o  109.277   1.0180  1603.99   29.880  1601.22   40.430  1607.33   44.355  109.173   1.3788  109.378   1.5098 -0.2041473 2.044642 
1 1 1   16    7    1 o  199.686   1.7516  5358.06   93.947  5494.16  123.180  5168.82  145.253  202.166   2.2685  196.044   2.7585 6.122711 3.571512 
1 1 1   16    7    2 o  108.974   1.0138  1595.13   29.673  1628.35   40.678  1557.35   43.380  110.094   1.3756  107.664   1.5001 2.430573 2.035359 
1 1 1   16    7    3 o  182.961   1.4778  4497.40   72.620  4478.35  102.430  4516.66  102.974  182.535   2.0892  183.314   2.0914 -0.7787476 2.956165 
1 1 1   16    7    4 o   42.952   0.7839  247.786   9.0434  254.748   11.763  237.721   14.142   43.549   1.0056   42.067   1.2517 1.482773 1.605592 
1 1 1   16    7    5 o  110.899   1.0770  1652.02   32.079  1623.60   45.076  1681.18   45.661  109.928   1.5267  111.860   1.5198 -1.932571 2.154180 
1 1 1   16    7    6 o  187.114   1.5082  4704.10   75.797  4652.59  106.442  4757.08  107.959  186.044   2.1301  188.121   2.1366 -2.077011 3.017053 
1 1 1   16    7    7 o  173.760   1.5465  4056.75   72.178  4078.61   93.551  4024.59  113.454  174.198   1.9995  173.005   2.4416 1.193069 3.155803 
1 1 1   16    7    8 o  239.725   1.8931  7723.73  121.896  7659.77  171.515  7789.00  173.273  238.639   2.6759  240.643   2.6808 -2.004074 3.787771 
1 1 1   16    7    9 o   87.388   0.8464  1025.74   19.866  1013.93   27.917  1037.85   28.277   86.877   1.1964   87.896   1.1978 -1.018707 1.692914 
1 1 1   16    7   10 o  131.353   1.1198  2317.76   39.508  2345.22   56.229  2291.00   55.522  132.109   1.5847  130.573   1.5831 1.536087 2.239971 
1 1 1   16    7   11 o  139.367   1.1748  2609.31   43.976  2620.10   62.295  2598.59   62.087  139.631   1.6610  139.057   1.6623 0.5742493 2.349986 
1 1 1   16    7   12 o   80.678   0.8936  874.306   19.364  858.624   30.234  885.212   25.213   79.939   1.4082   81.174   1.1564 -1.235039 1.822153 
1 1 1   16    7   13 o   81.560   0.8984  893.534   19.680  877.958   30.642  904.469   25.675   80.833   1.4113   82.051   1.1650 -1.218475 1.830067 
1 1 1   16    7   14 o  115.415   1.0647  1789.50   33.004  1761.00   48.431  1814.21   45.097  114.470   1.5752  116.193   1.4450 -1.723190 2.137600 
1 1 1   16    7   15 o  102.677   1.0838  1416.33   29.890  1397.24   44.215  1432.39   40.562  101.960   1.6145  103.242   1.4628 -1.281990 2.178634 
1 1 1   16    7   16 o  212.048   1.7695  6044.88  100.783  6000.52  148.482  6082.78  137.239  211.136   2.6183  212.617   2.4032 -1.480835 3.553987 
1 1 1   16    7   17 o   64.393   0.8029  556.988   13.886  562.053   22.705  553.961   17.552   64.673   1.3071   64.214   1.0177 0.4593124 1.656533 
1 1 1   16    7   18 o   59.193   0.7793  470.654   12.390  486.142   18.437  457.897   16.732   60.150   1.1412   58.379   1.0671 1.771664 1.562364 
1 1 1   16    7   19 o   76.907   0.8866  794.580   18.314  784.791   28.163  801.753   24.107   76.413   1.3722   77.243   1.1620 -0.8303757 1.798110 
1 1 1   16    7   20 o   11.118   1.8529   17.073   5.3383   15.352   7.1972   19.177   7.9591   10.469   2.5770   11.702   2.5998 -1.233778 3.660541 
1 1 1   16    7   21 o   52.195   0.7621  365.981   10.684  366.055   15.568  365.915   14.689   52.192   1.1106   52.184   1.0480 0.8125305E-02 1.526993 
1 1 1   16    7   22 o   69.767   0.8518  653.953   15.962  646.596   22.241  661.768   22.922   69.360   1.1939   70.168   1.2162 -0.8079529 1.704289 
1 1 1   16    7   23 o   42.453   0.7376  242.118   8.4107  238.993   11.616  245.562   12.194   42.171   1.0255   42.746   1.0621 -0.5746040 1.476401 
1 1 1   16    7   24 o   30.755   0.7998  127.081   6.6069  117.595   8.9475  138.454   9.7973   29.579   1.1262   32.095   1.1365 -2.516048 1.600038 
1 1 1   16    7   25 o   10.584   1.7862   15.493   4.8972   15.930   6.4775   14.910   7.4819   10.665   2.3267   10.319   2.6767 0.3458099 3.546625 
1 1 1   16    7   26 o   71.189   0.8970  681.022   17.151  650.985   25.202  706.933   23.407   69.575   1.3486   72.513   1.2018 -2.938530 1.806426 
1 1 1   16    7   27 o   22.550   1.0502   68.350   6.3608   68.377   9.1010   68.325   8.8937   22.492   1.5153   22.487   1.4808 0.5449295E-02 2.118692 
1 1 1   16    7   28 o   67.094   0.8043  604.891   14.494  627.934   21.332  585.132   19.753   68.339   1.1622   65.972   1.1148 2.367058 1.610415 
1 1 1   16    7   29 o   81.771   0.8416  898.579   18.483  898.099   25.872  899.079   26.415   81.723   1.1787   81.765   1.2028 -0.4232788E-01 1.684031 
1 1 1   16    7   30 o   83.628   0.8930  939.990   20.058  945.223   26.872  933.405   30.143   83.833   1.1934   83.290   1.3474 0.5426865 1.799938 
1 1 1   16    7   31 o   14.452   1.4665   28.408   5.6140   28.807   7.0274   27.704   9.3331   14.502   1.8460   14.096   2.5594 0.4061270 3.155676 
1 1 1   16    7   32 o   37.891   0.8412  192.986   8.5607  193.169   10.955  192.698   13.720   37.898   1.0762   37.835   1.3501 0.6241989E-01 1.726574 
1 1 1   16    7   33 o   59.243   0.8483  471.829   13.499  489.338   17.408  445.428   21.377   60.313   1.0746   57.512   1.3839 2.801243 1.752113 
1 1 1   16    7   34 o   17.391   1.4762   41.050   6.8303   45.486   8.4331   32.591   11.646   18.278   1.7387   15.221   2.9551 3.056976 3.428703 
1 1 1   16    7   35 o   42.772   0.9470  246.077   10.879  272.290   16.501  225.925   14.469   44.954   1.3666   40.954   1.3154 4.000900 1.896805 
1 1 1   16    7   36 o   31.090   0.8753  130.000   7.3094  134.560   9.9044  124.546   10.832   31.613   1.1665   30.402   1.3265 1.210566 1.766417 
1 1 1   16    7   37 o   36.883   0.8636  182.963   8.5553  185.119   11.624  180.415   12.638   37.076   1.1672   36.592   1.2859 0.4848747 1.736625 
1 1 1   16    7   38 o   56.026   0.8004  422.113   12.044  432.845   16.815  410.806   17.259   56.699   1.1041   55.229   1.1635 1.470181 1.604010 
1 1 1   16    7   39 o   61.010   0.8468  500.681   13.877  509.172   20.468  493.458   18.878   61.469   1.2397   60.526   1.1613 0.9431572 1.698652 
1 1 1   16    7   40 o   18.411   1.2683   45.912   6.2338   47.189   8.2087   44.172   9.5815   18.611   1.6595   17.938   2.0241 0.6738224 2.617464 
1 1 1   16    7   41 o   11.535   1.9999   18.556   5.9713   21.907   7.9541   14.230   9.0388   12.465   2.4631   10.126   3.0626 2.339256 3.930192 
1 1 1   16    7   42 o   50.958   0.8654  349.464   11.844  343.059   17.272  355.151   16.274   50.427   1.2752   51.324   1.1805 -0.8978195 1.737768 
1 1 1   16    7   43 o   9.1812   2.7160   11.766   7.1673   13.968   10.234   9.6448   10.041   10.152   3.2876   9.0147   3.2467 1.136889 4.620469 
1 1 1   16    7   44 o   20.944   1.1841   59.366   6.6338   51.594   8.4038   72.216   10.806   19.450   1.6235   23.006   1.7621 -3.555929 2.395986 
1 1 1   16    7   45 o   9.5303   2.3512   12.914   5.9813   14.065   7.4435   10.817   10.049   9.9456   2.7118   9.2894   3.2577 0.6562214 4.238686 
1 1 1   16    7   46 o   29.650   1.0908  118.562   8.6872  120.695   11.189  115.325   13.784   29.876   1.3944   29.090   1.7726 0.7856121 2.255294 
1 1 1   16    7   47 o   21.165   1.3160   60.760   7.4438   66.002   9.9761   54.175   11.181   21.991   1.7022   19.814   2.1346 2.176733 2.730223 
1 1 1   16    7   48 o   25.279   1.2040   86.279   8.1745   91.180   11.122   80.519   12.056   25.885   1.6076   24.262   1.8643 1.622934 2.461714 
1 1 1   16    7   49 o   15.751   1.8168   34.181   7.5453   25.054   11.092   42.041   10.294   13.148   3.1766   17.383   2.2581 -4.235168 3.897397 
1 1 1   16    7   50 o   24.274   1.3847   80.047   8.9907   91.552   12.447   67.493   13.001   25.867   1.8027   22.077   2.2228 3.789608 2.861906 
1 1 1   16    7   51 o   7.1904   2.8995   3.6401   8.6257  -1.0884   10.864   11.705   14.188   7.0413   3.0662   10.124   3.8210 -3.083129 4.899164 
1 1 1   16    7   52 o   23.724   1.4848   76.846   9.4138   84.358   13.481   69.697   13.152   24.682   2.0520   22.362   2.2190 2.320854 3.022406 
1 1 1   16    7   53 o   18.253   2.1934   46.800   10.538   64.172   17.825   37.465   13.066   20.909   3.2819   15.932   3.1649 4.977065 4.559320 
1 1 1   16    7   54 o   10.150   3.2852   14.904   10.220   4.0381   18.046   20.035   12.401   9.4340   4.0278   11.560   3.6041 -2.125690 5.404879 
1 1 1   16    7   55 o   35.311   2.5037  177.743   23.592  122.700   34.872  224.200   32.037   27.142   4.9666   39.118   3.0739 -11.97672 5.840843 
1 1 1   16    7   56 o   10.120   3.8579   13.510   14.555   12.337   18.512   15.410   23.553   10.432   4.2333   11.437   4.7230 -1.004300 6.342536 
1 1 1   16    8  -55 o   17.858   5.0344   56.080   25.188   0.0000   0.0000   56.080   25.188  ?   ?    17.858   5.0344 0.000000 5.034408 
1 1 1   16    8  -54 o   8.0278   3.5944  -3.1640   15.961   0.0000   0.0000  -3.1640   15.961  ?   ?    8.0278   3.5944 0.000000 3.594399 
1 1 1   16    8  -53 o   8.5154   3.7544  -1.1771   16.746   0.0000   0.0000  -1.1771   16.746  ?   ?    8.5154   3.7544 0.000000 3.754367 
1 1 1   16    8  -52 o   7.6583   3.2181   2.4163   11.217  -3.6284   16.010   8.2452   15.722   8.1100   3.6178   9.6734   3.9097 -1.563403 5.326689 
1 1 1   16    8  -51 o   6.4920   2.9307  -4.7316   10.858 -15.1075   14.899   7.0187   15.855   6.6830   3.1575   9.5759   3.9056 -2.892874 5.022264 
1 1 1   16    8  -50 o   36.712   1.4974  182.992   14.765  178.805   20.782  187.260   20.982   36.018   2.1581   36.876   2.1275 -0.8576393 3.030444 
1 1 1   16    8  -49 o   15.760   1.7674   34.214   7.3527   36.549   12.665   33.027   9.0303   15.932   3.0711   15.361   2.2560 0.5709686 3.810642 
1 1 1   16    8  -48 o   15.228   1.9002   32.057   7.6032   40.525   12.305   26.828   9.6699   16.904   2.8089   13.709   2.7221 3.194406 3.911473 
1 1 1   16    8  -47 o   22.015   1.2867   65.714   7.5754   45.438   13.283   75.489   9.2224   17.920   2.8555   23.570   1.4640 -5.649576 3.208906 
1 1 1   16    8  -46 o   50.555   0.9196  344.310   12.487  362.938   22.176  335.661   15.110   51.744   1.5956   49.877   1.1279 1.866169 1.953986 
1 1 1   16    8  -45 o   33.936   1.0134  155.242   9.2371  136.879   16.873  163.101   11.038   31.637   1.9959   34.761   1.1822 -3.124289 2.319769 
1 1 1   16    8  -44 o   50.313   0.9180  340.970   12.405  344.160   25.218  339.951   14.248   50.315   1.8661   50.214   1.0565 0.1008186 2.144368 
1 1 1   16    8  -43 o   43.312   0.9354  252.669   10.881  236.750   22.313  257.635   12.464   41.710   1.9918   43.717   1.0615 -2.007263 2.256948 
1 1 1   16    8  -42 f   11.310   2.9777   18.290   9.1701   27.961   11.429   0.8148   15.363   13.956   3.1267   8.7156   3.7186 5.240305 4.858362 
1 1 1   16    8  -41 o   23.921   1.4415   77.580   9.2187   82.177   12.865   72.730   13.216   24.524   1.9698   23.020   2.1628 1.504028 2.925358 
1 1 1   16    8  -40 o   44.385   1.0713  265.369   12.772  265.924   17.565  264.746   18.603   44.372   1.4738   44.257   1.5650 0.1145210 2.149743 
1 1 1   16    8  -39 o   22.452   1.7472   68.606   10.453   76.042   12.367   50.005   19.561   23.604   1.9687   18.597   4.0322 5.006681 4.487143 
1 1 1   16    8  -38 o   28.184   1.3862  107.145   10.494  123.387   13.410   81.493   16.854   30.171   1.6612   24.308   2.6229 5.862865 3.104767 
1 1 1   16    8  -37 o   24.129   1.4039   78.787   9.0592   67.980   12.434   91.014   13.226   22.296   2.1010   25.860   1.9178 -3.564240 2.844730 
1 1 1   16    8  -36 o   39.803   1.2521  213.449   13.386  228.242   23.428  206.280   16.311   40.978   2.1360   39.094   1.5533 1.883762 2.641078 
1 1 1   16    8  -35 o   16.966   2.1235   39.589   9.4646   46.573   15.663   35.573   11.878   18.157   3.3347   15.911   2.8857 2.245553 4.409923 
1 1 1   16    8  -34 o   17.807   1.9234   43.358   9.0529   40.741   14.339   45.092   11.674   16.983   3.2621   18.062   2.4711 -1.079460 4.092381 
1 1 1   16    8  -33 o   66.448   1.0865  594.127   19.391  591.819   25.421  597.338   29.989   66.272   1.4281   66.537   1.6780 -0.2654419 2.203500 
1 1 1   16    8  -32 o   14.563   2.4744   29.523   9.3324   23.202   10.504   53.220   20.337   12.800   3.0902   19.327   4.0473 -6.526516 5.092181 
1 1 1   16    8  -31 o   37.883   1.0274  193.006   10.454  210.145   14.951  176.613   14.622   39.505   1.4090   36.209   1.5035 3.295467 2.060538 
1 1 1   16    8  -30 o   34.093   1.0671  156.313   9.7716  152.899   13.699  159.850   13.943   33.695   1.5137   34.453   1.5067 -0.7578316 2.135708 
1 1 1   16    8  -29 o   66.442   0.9778  593.477   17.450  606.618   24.754  580.495   24.603   67.140   1.3727   65.676   1.3947 1.463722 1.956929 
1 1 1   16    8  -28 o   71.812   1.0030  693.258   19.347  699.497   27.237  686.906   27.486   72.099   1.4065   71.445   1.4323 0.6544647 2.007429 
1 1 1   16    8  -27 o  103.900   1.2748  1451.93   35.577  1404.26   53.449  1489.85   47.671  102.077   1.9495  105.189   1.6873 -3.111145 2.578262 
1 1 1   16    8  -26 o   66.479   0.9738  593.996   17.388  591.822   24.423  596.229   24.760   66.330   1.3709   66.576   1.3847 -0.2454224 1.948482 
1 1 1   16    8  -25 o   76.218   1.0883  780.899   22.279  807.316   29.716  746.989   33.668   77.470   1.4281   74.495   1.6827 2.974548 2.207008 
1 1 1   16    8  -24 o   15.967   2.4138   35.154   10.029   36.390   13.903   33.813   14.481   16.102   3.3247   15.488   3.5560 0.6139488 4.868106 
1 1 1   16    8  -23 o   56.362   0.8661  426.852   13.112  415.799   17.089  442.668   20.443   55.617   1.1440   57.376   1.3266 -1.759537 1.751716 
1 1 1   16    8  -22 o   66.809   0.8340  599.709   14.966  596.695   21.027  602.804   21.306   66.626   1.1750   66.966   1.1846 -0.3396988 1.668488 
1 1 1   16    8  -21 o   44.397   0.7843  264.812   9.3528  269.345   13.222  260.271   13.232   44.767   1.0996   44.006   1.1195 0.7611923 1.569204 
1 1 1   16    8  -20 f   97.143   1.0010  1268.06   26.118  1277.44   37.035  1258.79   36.840   97.474   1.4146   96.759   1.4175 0.7144241 2.002624 
1 1 1   16    8  -19 o  113.280   1.2313  1724.72   37.464  1713.17   47.319  1744.13   61.329  112.872   1.5608  113.840   2.0058 -0.9671936 2.541512 
1 1 1   16    8  -18 o   68.980   0.9111  639.271   16.881  615.228   23.815  663.552   23.933   67.656   1.3105   70.264   1.2681 -2.608742 1.823639 
1 1 1   16    8  -17 o   93.802   1.0190  1182.20   25.673  1189.67   44.470  1178.46   31.442   94.054   1.7603   93.643   1.2501 0.4118195 2.159042 
1 1 1   16    8  -16 o  127.756   1.1974  2193.24   41.087  2144.60   63.802  2227.69   53.706  126.277   1.8811  128.730   1.5533 -2.453125 2.439537 
1 1 1   16    8  -15 o  203.286   1.6268  5555.41   88.825  5557.23  125.553  5553.58  125.683  203.216   2.3003  203.149   2.3034 0.6738281E-01 3.255280 
1 1 1   16    8  -14 o  183.664   1.4847  4533.67   73.241  4665.41  105.363  4410.50  101.881  186.239   2.1063  181.081   2.0947 5.157883 2.970604 
1 1 1   16    8  -13 o   59.197   0.7592  470.707   12.071  479.535   18.100  463.636   16.200   59.743   1.1280   58.746   1.0267 0.9966164 1.525274 
1 1 1   16    8  -12 o   80.180   0.9832  863.627   21.174  855.994   26.518  877.052   35.170   79.818   1.2370   80.780   1.6210 -0.9619064 2.039046 
1 1 1   16    8  -11 o  112.446   1.1534  1698.71   34.836  1675.99   42.210  1747.25   61.687  111.680   1.4072  113.994   2.0147 -2.314262 2.457510 
1 1 1   16    8  -10 o  137.508   1.3397  2540.63   49.478  2547.76   74.078  2534.90   66.482  137.658   2.0035  137.325   1.8025 0.3329926 2.695001 
1 1 1   16    8   -9 o   56.563   0.7399  429.724   11.241  412.859   15.210  450.029   16.689   55.438   1.0215   57.879   1.0735 -2.440914 1.481829 
1 1 1   16    8   -8 o  128.751   1.1496  2226.95   39.756  2279.23   59.684  2185.26   53.302  130.226   1.7063  127.521   1.5562 2.704559 2.309415 
1 1 1   16    8   -7 o  205.657   1.7991  5684.62   99.379  5766.31  158.432  5631.64  127.604  207.002   2.8496  204.640   2.3216 2.361267 3.675547 
1 1 1   16    8   -6 o   51.703   0.7753  359.054   10.767  362.854   17.321  356.661   13.746   51.970   1.2409   51.528   0.9932 0.4419212 1.589398 
1 1 1   16    8   -5 o  129.029   1.2111  2236.60   41.971  2214.48   66.256  2251.43   54.243  128.355   1.9218  129.441   1.5602 -1.086075 2.475412 
1 1 1   16    8   -4 o  178.684   1.5130  4290.11   72.613  4286.17  107.750  4293.39   98.282  178.545   2.2469  178.713   2.0475 -0.1682281 3.039858 
1 1 1   16    8   -3 o  150.523   1.2490  3043.86   50.496  3066.65   71.780  3021.54   71.050  151.058   1.7692  149.943   1.7642 1.114761 2.498464 
1 1 1   16    8   -2 o   81.425   0.8534  890.535   18.665  904.774   25.557  874.260   27.323   82.068   1.1594   80.670   1.2610 1.398003 1.713027 
1 1 1   16    8   -1 f  127.303   1.1392  2177.06   38.953  2181.34   52.888  2171.98   57.588  127.413   1.5454  127.132   1.6865 0.2801514 2.287489 
1 1 1   16    8    0 o  150.853   1.2518  3057.21   50.721  3086.23   72.143  3028.83   71.324  151.540   1.7724  150.125   1.7689 1.415649 2.504075 
1 1 1   16    8    1 f  289.073   2.3609 11236.41  183.308 11486.02  251.718 10954.58  267.473  292.110   3.2083  285.211   3.4916 6.899109 4.741770 
1 1 1   16    8    2 o   79.981   0.9925  859.269   21.321  863.012   30.413  855.652   29.900   80.145   1.4128   79.803   1.3949 0.3420105 1.985430 
1 1 1   16    8    3 o   55.969   0.7768  420.741   11.678  411.116   15.239  434.435   18.177   55.322   1.0256   56.867   1.1901 -1.544960 1.570992 
1 1 1   16    8    4 o   85.078   0.8709  972.233   19.901  980.523   27.143  962.596   29.265   85.433   1.1829   84.646   1.2872 0.7871780 1.748148 
1 1 1   16    8    5 o  169.494   1.3829  3859.84   62.958  3859.79   89.032  3859.89   89.039  169.454   1.9561  169.456   1.9563 -0.2273560E-02 2.766498 
1 1 1   16    8    6 o   81.886   0.9472  900.696   20.832  909.059   28.285  890.783   30.795   82.258   1.2802   81.423   1.4081 0.8344879 1.903099 
1 1 1   16    8    7 o  100.263   0.9212  1350.31   24.807  1349.58   35.096  1351.04   35.070  100.225   1.3037  100.279   1.3021 -0.5420685E-01 1.842585 
1 1 1   16    8    8 o  160.262   1.3188  3450.80   56.769  3422.44   79.858  3479.77   80.716  159.566   1.8633  160.896   1.8678 -1.330383 2.638267 
1 1 1   16    8    9 o   41.098   0.7272  226.865   8.0270  218.419   11.399  235.171   11.305   40.323   1.0526   41.841   1.0059 -1.518272 1.455948 
1 1 1   16    8   10 o  108.731   0.9752  1588.13   28.481  1647.57   41.044  1532.92   39.553  110.732   1.3800  106.810   1.3787 3.922195 1.950708 
1 1 1   16    8   11 o   49.274   0.7813  326.122   10.340  316.467   16.016  333.022   13.539   48.533   1.2287   49.790   1.0124 -1.256817 1.592068 
1 1 1   16    8   12 o  121.794   1.2188  1993.06   39.871  1941.74   58.963  2036.29   54.119  120.181   1.8266  123.085   1.6370 -2.903816 2.452837 
1 1 1   16    8   13 o   31.905   0.8267  136.734   7.0845  129.331   10.393  143.161   9.6829   31.025   1.2472   32.643   1.1044 -1.618507 1.665862 
1 1 1   16    8   14 o   54.770   0.7210  402.921   10.606  401.043   14.933  404.834   15.067   54.637   1.0176   54.894   1.0219 -0.2575455 1.442118 
1 1 1   16    8   15 o  125.491   1.0855  2115.84   36.586  2127.97   51.855  2103.82   51.626  125.822   1.5344  125.106   1.5364 0.7161560 2.171400 
1 1 1   16    8   16 o   87.002   0.8925  1016.88   20.857  1035.61   28.358  994.807   30.784   87.788   1.2027   86.036   1.3321 1.752617 1.794715 
1 1 1   16    8   17 o   40.059   0.8818  215.581   9.4878  236.932   14.534  199.726   12.525   41.987   1.2888   38.552   1.2096 3.435608 1.767476 
1 1 1   16    8   18 o   41.673   0.8583  233.313   9.6068  220.291   14.020  244.837   13.190   40.485   1.2894   42.684   1.1505 -2.199505 1.728032 
1 1 1   16    8   19 o   57.665   0.8023  446.715   12.427  453.741   17.751  439.962   17.402   58.106   1.1374   57.217   1.1323 0.8889275 1.604935 
1 1 1   16    8   20 f   15.145   1.4438   31.122   5.8022   28.646   8.1325   33.689   8.2805   14.427   2.1656   15.693   2.0108 -1.266136 2.955225 
1 1 1   16    8   21 o  120.591   1.2162  1954.76   39.392  1940.16   52.735  1973.19   59.250  120.095   1.6349  121.089   1.8218 -0.9937820 2.447781 
1 1 1   16    8   22 o   29.386   0.8911  116.032   7.0337  119.594   9.9993  112.543   9.8957   29.826   1.2482   28.933   1.2734 0.8932247 1.783123 
1 1 1   16    8   23 o   46.375   0.7775  288.948   9.6842  305.239   14.416  275.550   13.073   47.653   1.1263   45.278   1.0750 2.374889 1.556984 
1 1 1   16    8   24 o  107.051   1.0682  1540.36   30.714  1609.86   49.273  1496.19   39.279  109.369   1.6774  105.473   1.3865 3.895927 2.176234 
1 1 1   16    8   25 o   21.934   1.0442   64.667   6.1519   68.066   8.3587   60.649   9.0871   22.452   1.3930   21.168   1.6104 1.284378 2.129227 
1 1 1   16    8   26 o   99.421   0.9317  1328.44   24.879  1312.94   34.824  1344.60   35.557   98.803   1.3122   99.986   1.3240 -1.182808 1.864142 
1 1 1   16    8   27 o   79.264   0.8259  844.292   17.582  839.846   24.594  848.940   25.145   79.031   1.1586   79.456   1.1783 -0.4250717 1.652458 
1 1 1   16    8   28 o   65.560   0.7725  577.555   13.602  565.676   18.875  590.390   19.619   64.863   1.0834   66.263   1.1023 -1.400383 1.545618 
1 1 1   16    8   29 o   28.355   0.8564  108.061   6.5226  113.081   8.7062  101.639   9.8475   28.998   1.1178   27.484   1.3340 1.514269 1.740428 
1 1 1   16    8   30 o   48.112   0.7835  311.089   10.125  303.279   13.166  322.395   15.840   47.491   1.0322   48.953   1.2047 -1.462395 1.586437 
1 1 1   16    8   31 o   31.646   0.8865  134.633   7.5350  139.370   9.6041  127.049   12.152   32.188   1.1109   30.713   1.4732 1.475063 1.845070 
1 1 1   16    8   32 o   54.734   0.8500  402.768   12.496  405.927   15.684  397.277   20.679   54.932   1.0630   54.307   1.4177 0.6243935 1.771954 
1 1 1   16    8   33 o   15.896   1.8940   34.613   7.9275   38.404   9.7407   27.175   13.643   16.698   2.2274   13.824   3.6285 2.873894 4.257587 
1 1 1   16    8   34 o   21.057   1.1690   59.875   6.5852   61.895   8.2557   56.340   10.919   21.379   1.4462   20.308   2.0289 1.071676 2.491588 
1 1 1   16    8   35 o   37.842   0.8362  192.574   8.4992  201.002   11.313  181.655   12.877   38.643   1.0900   36.717   1.3058 1.925323 1.700926 
1 1 1   16    8   36 o   72.691   0.9254  710.865   18.067  710.861   24.251  710.872   27.083   72.639   1.2430   72.610   1.3887 0.2819061E-01 1.863734 
1 1 1   16    8   37 o   50.694   0.7930  345.598   10.797  355.947   15.013  334.511   15.539   51.417   1.0871   49.835   1.1609 1.581238 1.590448 
1 1 1   16    8   38 o   37.712   0.8262  191.291   8.3686  182.534   11.194  202.385   12.600   36.813   1.1321   38.755   1.2105 -1.941978 1.657398 
1 1 1   16    8   39 o   19.517   1.1867   51.520   6.1912   40.310   8.1479   66.836   9.5236   17.166   1.7937   22.181   1.6095 -5.014820 2.409926 
1 1 1   16    8   40 o   22.758   1.2185   70.027   7.4211   72.407   10.449   67.604   10.542   23.071   1.6981   22.275   1.7769 0.7962589 2.457787 
1 1 1   16    8   41 o   35.221   1.0520  167.123   9.9517  175.102   16.492  162.554   12.480   35.959   1.7075   34.702   1.3390 1.256973 2.169896 
1 1 1   16    8   42 f   29.456   0.9978  116.885   7.8938  111.293   9.9838  126.211   12.893   28.712   1.2946   30.497   1.5794 -1.785114 2.042199 
1 1 1   16    8   43 o   25.265   1.0122   86.021   6.8686   83.651   8.6805   89.990   11.233   24.853   1.3050   25.720   1.6345 -0.8673935 2.091550 
1 1 1   16    8   44 o   14.764   1.6734   29.928   6.5185   27.696   7.8007   35.095   11.867   14.099   2.1260   15.698   2.9220 -1.599427 3.613547 
1 1 1   16    8   45 o   16.143   1.5489   35.618   6.6335   52.080   8.6699   12.374   10.302   19.525   1.6693   9.7166   3.3031 9.808101 3.700960 
1 1 1   16    8   46 o   30.231   1.0187  123.204   8.2719  109.632   10.796  142.498   12.872   28.467   1.4120   32.444   1.4772 -3.976532 2.043459 
1 1 1   16    8   47 o   20.809   1.3266   58.767   7.3758   60.123   10.008   57.156   10.912   20.958   1.7952   20.379   2.0203 0.5792294 2.702667 
1 1 1   16    8   48 o   19.286   1.4935   50.689   7.6763   45.905   10.038   57.426   11.912   18.218   2.0893   20.369   2.2131 -2.150524 3.043456 
1 1 1   16    8   49 o   28.334   1.3300  108.648   10.122  119.691   13.040   91.910   16.055   29.636   1.6447   25.755   2.3466 3.880667 2.865552 
1 1 1   16    8   50 o   19.027   1.6457   49.617   8.3273   51.397   11.325   47.521   12.287   19.208   2.2369   18.358   2.5618 0.8503876 3.400993 
1 1 1   16    8   51 o   8.9078   3.1141   10.298   9.1794   24.278   14.155   0.1524   12.059   12.782   3.8251   7.5722   3.2638 5.209390 5.028309 
1 1 1   16    8   52 o   35.463   1.1831  170.472   11.269  166.627   16.333  173.964   15.567   34.827   1.7516   35.678   1.6245 -0.8504944 2.388967 
1 1 1   16    8   53 o   11.799   3.4277   20.959   11.508   28.607   18.819   16.392   14.544   13.554   4.4619   10.891   3.9090 2.662911 5.932044 
1 1 1   16    8   54 o   16.154   3.2666   39.438   13.686   32.886   19.545   45.741   19.171   14.222   4.5368   16.849   4.2396 -2.627276 6.209416 
1 1 1   16    8   55 o   21.907   3.3717   73.011   19.203   83.780   28.324   63.850   26.124   22.141   4.8931   19.106   5.0239 3.034986 7.012959 
1 1 1   16    9  -54 o   8.3943   3.9538 -15.7800   23.037   0.0000   0.0000 -15.7800   23.037  ?   ?    8.3943   3.9538 0.000000 3.953826 
1 1 1   16    9  -53 o   16.983   4.0480   45.767   18.203   0.0000   0.0000   45.767   18.203  ?   ?    16.983   4.0480 0.000000 4.048023 
1 1 1   16    9  -52 o   21.149   2.9868   65.158   16.494  108.900   36.405   53.859   18.502   25.386   5.4982   18.754   3.8032 6.631861 6.685452 
1 1 1   16    9  -51 o   12.353   3.5913   22.842   12.628   18.872   18.490   26.312   17.288   11.871   4.3853   13.202   4.2727 -1.331260 6.122649 
1 1 1   16    9  -50 o   8.4054   3.3189   6.4105   11.066 -13.0011   15.489   26.653   15.817   7.0452   3.2940   13.348   4.0545 -6.302935 5.223908 
1 1 1   16    9  -49 o   26.360   1.8449   95.318   12.980  106.717   18.355   83.916   18.357   27.666   2.4970   24.366   2.8594 3.300024 3.796159 
1 1 1   16    9  -48 o   35.583   1.2961  171.291   12.387  186.253   17.018  154.434   18.064   37.004   1.7123   33.557   2.0135 3.447014 2.643155 
1 1 1   16    9  -47 o   46.776   0.9720  294.954   12.212  300.763   19.767  291.368   15.531   47.092   1.5628   46.434   1.2453 0.6583862 1.998234 
1 1 1   16    9  -46 o   25.132   1.1119   85.230   7.5059  102.904   13.480   77.287   9.0364   27.444   1.8394   23.857   1.4166 3.587404 2.321644 
1 1 1   16    9  -45 f   42.922   1.2968  248.992   14.950  269.323   25.348  238.146   18.513   44.404   2.1253   41.896   1.6452 2.507549 2.687697 
1 1 1   16    9  -44 o   7.6175   2.9084   5.7476   8.2801  -3.0540   11.271   16.065   12.204   6.9266   3.0657   10.866   3.5939 -3.939707 4.723783 
1 1 1   16    9  -43 o   37.672   1.2045  191.589   12.187  195.612   20.101  189.251   15.326   37.847   1.9843   37.382   1.5264 0.4645042 2.503493 
1 1 1   16    9  -42 o   12.695   2.8298   23.071   9.4029   30.847   15.781   18.791   11.708   14.524   3.9437   11.522   3.4858 3.002141 5.263409 
1 1 1   16    9  -41 o   48.389   1.1979  315.898   15.569  313.419   19.469  320.297   25.933   48.135   1.5059   48.529   1.9896 -0.3947411 2.495187 
1 1 1   16    9  -40 o   35.667   1.1366  171.495   10.888  173.128   15.543  169.922   15.258   35.767   1.6179   35.437   1.6030 0.3302574 2.277564 
1 1 1   16    9  -39 o   28.321   1.2795  108.197   9.7332  119.707   13.407   95.370   14.153   29.694   1.6879   26.430   2.0087 3.263857 2.623746 
1 1 1   16    9  -38 f   31.226   1.4539  131.642   12.194  137.975   14.248  114.300   23.577   31.898   1.6688   28.670   3.1117 3.228735 3.530975 
1 1 1   16    9  -37 o   35.088   1.2339  165.939   11.629  178.777   15.124  147.375   18.187   36.383   1.5477   32.897   2.0688 3.485344 2.583667 
1 1 1   16    9  -36 o   22.551   1.5167   68.953   9.1330   75.929   12.464   60.865   13.421   23.592   1.9854   21.017   2.4217 2.574812 3.131552 
1 1 1   16    9  -35 o   75.711   1.2252  772.272   24.915  816.357   44.433  752.054   30.091   77.590   2.1321   74.653   1.5007 2.936485 2.607314 
1 1 1   16    9  -34 o   52.653   1.0456  373.141   14.788  367.790   21.646  377.824   20.250   52.206   1.5437   52.932   1.4243 -0.7262764 2.100378 
1 1 1   16    9  -33 o   21.427   1.6646   62.348   9.5048   61.257   15.103   63.064   12.231   21.040   2.7374   21.472   2.1496 -0.4321442 3.480532 
1 1 1   16    9  -32 o   75.370   1.2284  764.903   24.867  768.748   35.445  761.176   34.895   75.458   1.7489   75.090   1.7302 0.3682938 2.460112 
1 1 1   16    9  -31 o   37.819   1.2189  192.536   12.381  207.536   15.287  163.931   21.111   39.246   1.4502   34.723   2.2762 4.522816 2.698916 
1 1 1   16    9  -30 o   33.230   1.1600  148.578   10.353  164.905   15.117  134.157   14.208   34.977   1.6091   31.498   1.6855 3.478992 2.330282 
1 1 1   16    9  -29 o   63.483   0.9861  541.895   16.815  541.394   23.612  542.410   23.951   63.415   1.3863   63.472   1.4049 -0.5733871E-01 1.973692 
1 1 1   16    9  -28 o   22.698   1.3675   69.590   8.2980   75.613   11.744   63.586   11.726   23.607   1.8674   21.612   2.0444 1.995504 2.768882 
1 1 1   16    9  -27 o   41.934   0.9867  236.399   11.114  235.771   15.463  237.071   15.984   41.858   1.3754   41.970   1.4179 -0.1125450 1.975393 
1 1 1   16    9  -26 o   48.165   0.8713  311.784   11.272  298.771   17.233  321.515   14.902   47.124   1.3615   48.898   1.1346 -1.774429 1.772336 
1 1 1   16    9  -25 o   55.832   0.7654  418.849   11.478  409.621   17.097  426.420   15.487   55.194   1.1533   56.322   1.0237 -1.127697 1.542099 
1 1 1   16    9  -24 o   34.043   0.8222  155.730   7.5179  159.004   10.530  152.326   10.737   34.390   1.1400   33.658   1.1877 0.7315598 1.646262 
1 1 1   16    9  -23 o   77.762   1.1375  812.943   23.758  801.377   33.219  825.053   33.992   77.167   1.6028   78.297   1.6164 -1.130211 2.276271 
1 1 1   16    9  -22 o   65.666   1.0107  579.549   17.826  572.644   20.682  599.507   35.158   65.264   1.1798   66.714   1.9621 -1.449707 2.289466 
1 1 1   16    9  -21 o   44.238   0.7821  262.932   9.2926  260.425   13.087  265.482   13.197   44.017   1.1070   44.442   1.1056 -0.4253197 1.564513 
1 1 1   16    9  -20 o   44.423   0.7344  265.114   8.7626  269.405   13.250  261.779   11.682   44.770   1.1019   44.136   0.9855 0.6345863 1.478251 
1 1 1   16    9  -19 o  176.325   1.5008  4181.38   71.076  4261.49  106.679  4117.44   95.312  177.850   2.2332  174.867   2.0293 2.983109 3.017507 
1 1 1   16    9  -18 o   45.597   0.7328  279.305   8.9752  272.373   11.609  289.606   14.151   45.023   0.9600   46.420   1.1350 -1.397381 1.486540 
1 1 1   16    9  -17 o   65.794   0.8049  581.548   14.225  567.410   18.266  603.335   22.675   64.981   1.0466   66.997   1.2601 -2.016380 1.638008 
1 1 1   16    9  -16 o  124.217   1.0738  2073.40   35.827  2084.16   50.747  2062.70   50.589  124.502   1.5175  123.859   1.5207 0.6427841 2.148342 
1 1 1   16    9  -15 o   13.697   1.4141   25.487   5.1275   26.786   7.9898   24.577   6.6859   13.937   2.2081   13.381   1.9148 0.5552530 2.922691 
1 1 1   16    9  -14 o   61.347   0.9586  505.619   15.796  521.722   20.407  481.552   24.948   62.308   1.2194   59.849   1.5520 2.459057 1.973737 
1 1 1   16    9  -13 o   58.682   0.9483  462.628   14.947  449.190   21.545  475.096   20.754   57.811   1.3876   59.458   1.2996 -1.646622 1.901106 
1 1 1   16    9  -12 o   72.298   0.8464  702.154   16.435  693.917   22.858  710.971   23.648   71.863   1.1842   72.739   1.2104 -0.8767624 1.693387 
1 1 1   16    9  -11 o   86.364   0.8739  1001.97   20.272  1026.31   27.867  974.605   29.546   87.396   1.1871   85.163   1.2917 2.233833 1.754359 
1 1 1   16    9  -10 o   78.058   0.7983  818.451   16.736  812.535   23.608  824.429   23.729   77.766   1.1303   78.334   1.1278 -0.5671768 1.596719 
1 1 1   16    9   -9 o   85.347   0.8362  978.464   19.168  986.556   27.262  970.552   26.956   85.690   1.1845   84.992   1.1808 0.6977692 1.672556 
1 1 1   16    9   -8 o   77.917   0.8354  815.501   17.483  810.563   26.039  819.554   23.590   77.670   1.2482   78.103   1.1245 -0.4332657 1.680040 
1 1 1   16    9   -7 o  102.862   0.9804  1421.36   27.086  1427.29   40.476  1416.55   36.450  103.058   1.4623  102.675   1.3217 0.3824997 1.971070 
1 1 1   16    9   -6 o  114.678   1.1677  1766.84   35.966  1784.63   62.889  1758.20   43.844  115.205   2.0324  114.385   1.4271 0.8203888 2.483380 
1 1 1   16    9   -5 o   24.220   0.9037   78.801   5.8791   95.859   9.1331   66.732   7.6824   26.710   1.2730   22.248   1.2911 4.462042 1.813207 
1 1 1   16    9   -4 o  119.712   1.0431  1925.19   33.540  1967.13   48.057  1885.36   46.832  120.990   1.4788  118.449   1.4720 2.540970 2.086574 
1 1 1   16    9   -3 o  107.973   0.9682  1566.05   28.078  1546.77   39.532  1585.67   39.887  107.292   1.3718  108.633   1.3670 -1.340866 1.936645 
1 1 1   16    9   -2 o  153.010   1.2674  3145.57   52.086  3120.33   73.448  3171.11   73.876  152.361   1.7948  153.596   1.7907 -1.235260 2.535357 
1 1 1   16    9   -1 o  195.214   1.5683  5121.31   82.229  5156.64  116.864  5086.68  115.725  195.819   2.2220  194.487   2.2154 1.332092 3.137651 
1 1 1   16    9    0 o  183.182   1.4813  4509.13   72.881  4479.52  102.748  4539.12  103.395  182.524   2.0958  183.734   2.0951 -1.210419 2.963482 
1 1 1   16    9    1 o  209.984   1.6753  5926.13   94.486  5887.70  133.069  5965.21  134.185  209.220   2.3680  210.592   2.3723 -1.372177 3.351903 
1 1 1   16    9    2 o  179.391   1.5195  4324.59   73.215  4445.18  100.787  4189.85  106.534  181.825   2.0638  176.507   2.2472 5.318832 3.051049 
1 1 1   16    9    3 o   99.947   1.0097  1341.93   27.105  1358.92   35.270  1317.43   42.360  100.568   1.3057   99.009   1.5929 1.558868 2.059669 
1 1 1   16    9    4 o   38.669   0.8425  200.853   8.7501  204.888   11.064  194.114   14.298   39.053   1.0548   38.008   1.4006 1.045292 1.753315 
1 1 1   16    9    5 o   18.395   1.2414   45.670   6.0976   49.760   7.7950   39.221   9.7877   19.182   1.5256   16.935   2.2040 2.246574 2.680474 
1 1 1   16    9    6 o   73.555   0.8179  726.741   16.160  714.172   21.833  741.969   24.031   72.910   1.1149   74.313   1.2040 -1.403069 1.640887 
1 1 1   16    9    7 o   83.539   0.8299  937.408   18.622  958.355   26.679  917.506   26.004   84.458   1.1761   82.638   1.1716 1.819412 1.660031 
1 1 1   16    9    8 o  120.094   1.0470  1937.59   33.772  1961.68   48.097  1914.16   47.431  120.817   1.4822  119.345   1.4797 1.472275 2.094336 
1 1 1   16    9    9 o  133.335   1.1351  2388.58   40.651  2361.90   57.097  2416.01   57.891  132.560   1.6036  134.070   1.6076 -1.509613 2.270719 
1 1 1   16    9   10 o   55.477   0.7898  413.414   11.768  415.453   18.524  412.034   15.238   55.605   1.2403   55.380   1.0245 0.2244644 1.608707 
1 1 1   16    9   11 o   69.023   0.7975  639.961   14.784  638.776   21.926  640.949   20.020   68.949   1.1840   69.070   1.0792 -0.1202393 1.601992 
1 1 1   16    9   12 o   50.741   0.7164  345.829   9.7629  352.079   13.819  339.600   13.795   51.192   1.0050   50.276   1.0215 0.9156952 1.433046 
1 1 1   16    9   13 o   83.307   0.8320  932.292   18.616  945.485   26.476  919.393   26.180   83.882   1.1752   82.717   1.1784 1.165649 1.664199 
1 1 1   16    9   14 o   53.999   0.7258  391.679   10.527  402.409   14.986  381.226   14.790   54.727   1.0195   53.267   1.0338 1.460236 1.451907 
1 1 1   16    9   15 o   59.090   0.7613  469.043   12.083  473.253   16.419  464.071   17.844   59.348   1.0301   58.766   1.1305 0.5815964 1.529388 
1 1 1   16    9   16 o   29.568   0.8290  117.455   6.5836  123.544   9.3614  111.497   9.2606   30.320   1.1495   28.803   1.1970 1.517029 1.659611 
1 1 1   16    9   17 o  105.269   1.0019  1489.03   28.329  1488.01   38.237  1490.27   42.178  105.209   1.3531  105.277   1.4916 -0.6828308E-01 2.013939 
1 1 1   16    9   18 o  123.987   1.1815  2066.21   39.346  2044.85   55.202  2088.26   56.097  123.293   1.6669  124.594   1.6763 -1.300606 2.364042 
1 1 1   16    9   19 o   64.805   0.8376  564.249   14.580  554.726   20.255  574.487   21.003   64.242   1.1739   65.375   1.1961 -1.133141 1.675931 
1 1 1   16    9   20 o   31.315   0.9429  131.777   7.9304  131.729   10.845  131.833   11.626   31.301   1.2900   31.311   1.3824 -0.9696960E-02 1.890795 
1 1 1   16    9   21 o   69.415   0.8517  647.443   15.880  642.290   24.622  651.112   20.780   69.112   1.3264   69.599   1.1116 -0.4863586 1.730595 
1 1 1   16    9   22 o  101.230   1.0872  1377.45   29.561  1406.26   50.332  1362.27   36.525  102.197   1.8336  100.645   1.3511 1.551208 2.277680 
1 1 1   16    9   23 o  101.345   0.9839  1380.42   26.783  1387.17   39.659  1374.76   36.315  101.545   1.4541  101.103   1.3373 0.4418945 1.975556 
1 1 1   16    9   24 o   41.684   0.8164  233.485   9.1407  234.432   13.658  232.717   12.302   41.754   1.2179   41.606   1.1008 0.1481285 1.641659 
1 1 1   16    9   25 o   59.386   0.7914  473.899   12.623  482.123   18.511  466.750   17.258   59.880   1.1510   58.921   1.0905 0.9587593 1.585530 
1 1 1   16    9   26 o   39.147   0.7608  205.923   7.9999  206.253   10.786  205.519   11.927   39.169   1.0252   39.095   1.1359 0.7438660E-01 1.530124 
1 1 1   16    9   27 o   19.262   1.1368   50.070   5.8551   44.276   7.2961   60.552   9.8134   18.072   1.5172   21.128   1.7449 -3.056406 2.312226 
1 1 1   16    9   28 o   31.789   0.8514  135.830   7.2695  136.334   9.2139  135.000   11.831   31.840   1.0774   31.670   1.3909 0.1703854 1.759343 
1 1 1   16    9   29 o   9.0192   2.1294   11.428   5.0759   8.2285   6.1899   17.997   8.8686   7.9129   2.5562   11.303   2.9054 -3.389866 3.869797 
1 1 1   16    9   30 o   37.409   0.8149  188.115   8.1874  186.219   10.478  191.087   13.119   37.208   1.0485   37.676   1.2964 -0.4674873 1.667357 
1 1 1   16    9   31 o   56.872   0.8501  434.868   12.986  405.987   17.916  466.840   18.850   54.918   1.2146   58.893   1.1917 -3.974747 1.701574 
1 1 1   16    9   32 o   62.868   0.9185  531.573   15.510  532.133   20.181  530.766   24.241   62.869   1.1951   62.754   1.4382 0.1157265 1.869984 
1 1 1   16    9   33 o   55.823   0.7774  418.965   11.655  418.488   16.017  419.502   16.993   55.762   1.0694   55.822   1.1333 -0.6005096E-01 1.558237 
1 1 1   16    9   34 o   21.188   1.1276   60.616   6.3941   56.991   7.8137   67.964   11.125   20.509   1.4274   22.340   1.8712 -1.831495 2.353497 
1 1 1   16    9   35 o   74.471   0.9423  746.208   18.848  736.384   24.784  759.682   29.026   73.926   1.2482   75.045   1.4400 -1.119003 1.905698 
1 1 1   16    9   36 o   18.693   1.2837   47.320   6.4063   48.538   7.8957   44.976   10.959   18.895   1.5700   18.050   2.3138 0.8447876 2.796204 
1 1 1   16    9   37 o   67.449   0.8145  611.912   14.756  613.663   20.610  610.070   21.135   67.495   1.1369   67.291   1.1694 0.2037888 1.630956 
1 1 1   16    9   38 f   41.618   0.8342  233.018   9.3246  233.929   12.189  231.734   14.479   41.674   1.0890   41.451   1.3005 0.2223320 1.696177 
1 1 1   16    9   39 o   13.493   1.8399   25.115   6.4940   30.406   8.7492   18.625   9.6906   14.779   2.2773   11.436   3.0842 3.342887 3.833859 
1 1 1   16    9   40 o   5.2079   2.2517  -0.6386   5.7758  -4.1058   7.4795   4.4830   9.0905   5.3424   2.4202   7.5808   3.0034 -2.238388 3.857159 
1 1 1   16    9   41 o   31.248   1.0355  131.582   8.6910  132.352   11.484  130.550   13.296   31.300   1.3660   31.011   1.6018 0.2886124 2.105160 
1 1 1   16    9   42 o   44.832   0.9174  270.707   11.047  276.063   15.486  265.156   15.764   45.213   1.2752   44.301   1.3249 0.9119377 1.838842 
1 1 1   16    9   43 o   18.091   1.4842   44.595   7.1486   46.305   8.7084   41.060   12.518   18.379   1.7867   17.031   2.8362 1.348133 3.352001 
1 1 1   16    9   44 o   28.085   1.0122  106.336   7.6359  105.484   9.4962  107.894   12.844   27.943   1.2653   28.142   1.7074 -0.1990280 2.125092 
1 1 1   16    9   45 f   35.009   0.9234  165.132   8.6827  157.894   11.721  173.935   12.926   34.183   1.2766   35.866   1.3418 -1.682930 1.852033 
1 1 1   16    9   46 o   31.368   0.9977  132.651   8.4056  143.494   11.449  119.973   12.380   32.581   1.3084   29.711   1.5567 2.869640 2.033525 
1 1 1   16    9   47 o   27.411   1.1392  101.431   8.3872   96.227   11.785  106.771   11.939   26.571   1.6597   28.009   1.5936 -1.438622 2.300865 
1 1 1   16    9   48 o   17.185   1.9591   40.822   8.8813   42.319   12.599   39.344   12.521   17.254   2.8159   16.591   2.9162 0.6625538 4.053824 
1 1 1   16    9   49 o   8.1296   2.9750   7.7249   8.4793   5.2923   10.565   12.128   14.213   8.0876   3.2272   10.215   3.8307 -2.127668 5.008922 
1 1 1   16    9   50 o   20.152   1.7981   55.956   9.6305   45.407   15.065   63.246   12.524   17.607   3.3070   21.298   2.2220 -3.691309 3.984128 
1 1 1   16    9   51 o   17.125   1.9198   40.811   8.6784   46.849   11.747   33.558   12.877   18.167   2.4716   15.025   3.2825 3.141794 4.108967 
1 1 1   16    9   52 o   36.865   2.0531  188.949   20.249  195.264   25.034  177.000   34.436   37.159   2.5232   34.308   3.8008 2.850651 4.562119 
1 1 1   16    9   53 o   7.4385   3.4372  -9.1864   16.116   5.5260   21.954 -26.3800   23.733   10.231   4.4067   7.9314   3.8124 2.299445 5.826962 
1 1 1   16    9   54 o   22.494   2.3446   72.380   13.957   65.305   20.364   78.647   19.167   20.346   3.8677   22.882   3.2068 -2.535549 5.024212 
1 1 1   16   10  -53 o   9.0735   3.8563   4.9916   16.407   0.0000   0.0000   4.9916   16.407  ?   ?    9.0735   3.8563 0.000000 3.856308 
1 1 1   16   10  -52 o   13.444   4.2392   28.717   17.103   0.0000   0.0000   28.717   17.103  ?   ?    13.444   4.2392 0.000000 4.239243 
1 1 1   16   10  -51 o   39.900   1.6097  218.077   17.251  206.937   25.113  228.032   23.739   38.308   2.4536   40.409   2.1954 -2.101772 3.292448 
1 1 1   16   10  -50 o   16.326   3.0723   39.064   12.978   52.863   19.297   27.667   17.536   18.599   3.9829   13.483   4.2970 5.115927 5.858944 
1 1 1   16   10  -49 o   20.369   2.1922   57.848   11.804   53.149   16.267   63.076   17.156   19.088   3.2919   20.892   3.1557 -1.804670 4.560144 
1 1 1   16   10  -48 o   21.273   2.2203   62.883   12.499   65.368   17.841   60.487   17.517   21.320   3.2154   20.459   3.3001 0.8617325 4.607556 
1 1 1   16   10  -47 o   28.525   1.2445  110.027   9.5347  129.624   14.976   96.669   12.364   30.790   1.8190   26.595   1.7405 4.194164 2.517572 
1 1 1   16   10  -46 o   16.942   2.0701   39.780   9.2241   61.456   12.661   15.260   13.466   21.053   2.2752   10.806   3.7721 10.24706 4.405135 
1 1 1   16   10  -45 o   23.062   1.5589   72.434   9.5995   69.779   13.447   75.194   13.708   22.463   2.2595   23.339   2.2132 -0.8763618 3.162852 
1 1 1   16   10  -44 o   17.383   2.2426   42.016   10.226   33.373   16.931   46.979   12.831   15.023   4.0872   18.267   2.6963 -3.243812 4.896490 
1 1 1   16   10  -43 o   20.650   1.7877   58.387   9.8173   50.195   13.627   67.226   14.155   18.875   2.7705   21.999   2.4366 -3.124380 3.689559 
1 1 1   16   10  -42 o   13.251   2.7403   25.075   9.4308   34.464   15.006   18.946   12.125   15.346   3.6867   11.568   3.5568 3.777844 5.122749 
1 1 1   16   10  -41 o   22.176   1.6863   67.080   9.9688   52.856   15.864   76.363   12.815   19.271   3.1755   23.587   2.0430 -4.316616 3.775934 
1 1 1   16   10  -40 o   11.815   2.9040   20.014   9.1504   24.691   11.227   10.760   15.793   13.085   3.2170   10.372   4.0024 2.713201 5.134988 
1 1 1   16   10  -39 o   59.750   1.0317  481.004   16.556  475.323   23.186  486.914   23.650   59.302   1.4557   60.017   1.4671 -0.7156715 2.066725 
1 1 1   16   10  -38 o   12.195   2.5842   21.086   8.2013   15.770   10.935   27.921   12.400   10.717   3.3907   13.931   3.3540 -3.214500 4.769342 
1 1 1   16   10  -37 o   44.613   1.1042  268.141   13.231  262.951   17.107  275.870   20.874   44.129   1.4433   45.148   1.7214 -1.019314 2.246401 
1 1 1   16   10  -36 o   12.180   2.7383   21.070   8.7408   9.5294   10.721   43.944   15.094   9.1572   3.3462   17.584   3.3175 -8.427236 4.712012 
1 1 1   16   10  -35 o   8.1812   2.8884   8.0605   7.9098   11.977   10.836   3.5927   11.573   9.7694   3.3852   8.1534   3.3324 1.615995 4.750191 
1 1 1   16   10  -34 o   34.977   1.2822  164.895   12.046  192.648   21.243  151.743   14.624   37.631   2.1103   33.516   1.6245 4.115234 2.663166 
1 1 1   16   10  -33 f   63.454   1.0594  542.008   18.055  539.783   26.957  543.818   24.315   63.230   1.5873   63.498   1.4257 -0.2684441 2.133556 
1 1 1   16   10  -32 o   73.331   1.1956  724.219   23.549  727.586   40.545  722.505   28.928   73.297   2.0595   73.191   1.4715 0.1063614 2.531169 
1 1 1   16   10  -31 o   35.144   1.2141  166.316   11.460  185.274   18.040  153.488   14.839   37.031   1.8138   33.724   1.6382 3.307056 2.444101 
1 1 1   16   10  -30 o   33.254   1.2453  148.896   11.122  149.129   13.609  148.427   19.302   33.258   1.5234   33.040   2.1874 0.2175789 2.665669 
1 1 1   16   10  -29 o   15.056   1.2802   30.740   5.1278   44.738   10.974   26.830   5.8000   18.033   2.3195   14.022   1.5668 4.010983 2.799116 
1 1 1   16   10  -28 o   5.1353   1.9460   2.5192   3.6898   5.1062   5.3898   0.2373   5.0620   6.6602   2.3808   5.0909   2.1517 1.569276 3.209044 
1 1 1   16   10  -27 o   62.794   0.7851  529.959   13.241  507.532   19.557  548.941   17.993   61.421   1.1855   63.890   1.0485 -2.468849 1.582623 
1 1 1   16   10  -26 o   73.953   0.8763  735.120   17.406  724.313   24.512  746.112   24.721   73.374   1.2438   74.471   1.2359 -1.096817 1.753441 
1 1 1   16   10  -25 o   46.768   0.8694  293.969   10.921  286.174   16.817  299.654   14.361   46.117   1.3577   47.204   1.1327 -1.087692 1.768138 
1 1 1   16   10  -24 o   50.989   0.8010  349.378   10.970  352.279   15.388  346.380   15.642   51.185   1.1193   50.753   1.1475 0.4319763 1.602959 
1 1 1   16   10  -23 o   77.735   0.8975  812.131   18.740  823.734   26.604  800.703   26.402   78.260   1.2657   77.157   1.2740 1.102585 1.795812 
1 1 1   16   10  -22 o   99.228   1.0648  1323.61   28.378  1365.71   49.653  1303.19   34.583  100.694   1.8359   98.434   1.3080 2.259781 2.254230 
1 1 1   16   10  -21 o   73.649   0.9597  729.012   18.985  717.788   26.862  740.215   26.836   73.051   1.3691   74.185   1.3468 -1.134323 1.920482 
1 1 1   16   10  -20 o   93.134   0.9641  1165.73   24.117  1164.66   31.076  1167.35   38.244   93.068   1.2432   93.146   1.5286 -0.7783508E-01 1.970323 
1 1 1   16   10  -19 o   61.596   0.7368  509.729   12.190  510.162   17.129  509.284   17.352   61.609   1.0351   61.556   1.0495 0.5369949E-01 1.474102 
1 1 1   16   10  -18 o   41.068   0.6992  226.577   7.7129  235.944   10.804  216.841   11.015   41.902   0.9600   40.168   1.0209 1.733780 1.401376 
1 1 1   16   10  -17 o   28.969   0.9214  112.767   7.1691  116.186   8.2516  102.239   14.479   29.403   1.0449   27.485   1.9745 1.917503 2.233905 
1 1 1   16   10  -16 o   56.119   0.8696  423.138   13.108  408.190   16.361  449.927   21.902   55.110   1.1053   57.845   1.4097 -2.734921 1.791361 
1 1 1   16   10  -15 o   65.510   0.7783  576.539   13.695  559.084   19.735  592.752   19.020   64.497   1.1392   66.414   1.0663 -1.916824 1.560385 
1 1 1   16   10  -14 o   74.809   0.8598  751.891   17.276  745.959   22.190  761.021   27.529   74.504   1.1089   75.239   1.3622 -0.7351837 1.756515 
1 1 1   16   10  -13 o  101.738   0.9324  1390.69   25.477  1392.77   36.013  1388.60   36.048  101.791   1.3172  101.639   1.3205 0.1526871 1.865137 
1 1 1   16   10  -12 o   76.101   0.8208  778.018   16.777  757.126   24.452  796.600   23.060   75.058   1.2129   76.994   1.1151 -1.936134 1.647608 
1 1 1   16   10  -11 o   16.220   1.1662   35.538   5.0469   32.928   7.1086   38.190   7.1666   15.552   1.7312   16.776   1.6103 -1.224230 2.364311 
1 1 1   16   10  -10 o  118.306   1.1948  1880.83   37.965  1839.77   64.930  1902.17   46.799  116.933   2.0674  118.956   1.4647 -2.022926 2.533659 
1 1 1   16   10   -9 o   44.233   0.8041  262.832   9.5530  263.750   16.231  262.345   11.816   44.299   1.3642   44.189   0.9956 0.1099968 1.688827 
1 1 1   16   10   -8 o  101.042   0.9695  1371.61   26.312  1355.45   38.954  1385.18   35.683  100.422   1.4442  101.524   1.3086 -1.102821 1.948881 
1 1 1   16   10   -7 o   79.112   0.8441  840.753   17.936  842.579   26.826  839.276   24.120   79.184   1.2613   79.034   1.1363 0.1507568 1.697643 
1 1 1   16   10   -6 o   29.470   0.7895  116.657   6.2490  120.980   9.1593  112.893   8.5472   30.007   1.1364   28.987   1.0978 1.019762 1.580098 
1 1 1   16   10   -5 o   90.071   0.9021  1089.85   21.823  1107.21   32.763  1076.00   29.258   90.770   1.3439   89.486   1.2173 1.283363 1.813225 
1 1 1   16   10   -4 o   49.717   0.7772  332.028   10.378  347.089   16.746  322.637   13.224   50.824   1.2267   49.006   1.0046 1.818516 1.585599 
1 1 1   16   10   -3 o   44.872   0.7161  270.454   8.6308  284.565   12.685  258.290   11.777   46.023   1.0262   43.848   1.0000 2.175789 1.432844 
1 1 1   16   10   -2 f   16.258   1.1665   35.695   5.0599   22.942   7.4917   46.392   6.8612   12.873   2.2487   18.528   1.3888 -5.655516 2.642999 
1 1 1   16   10   -1 o   97.025   0.9037  1264.60   23.551  1268.09   33.463  1261.17   33.152   97.145   1.2825   96.880   1.2740 0.2651978 1.807744 
1 1 1   16   10    0 o   52.142   0.7147  365.183   10.009  381.065   14.590  351.063   13.757   53.259   1.0200   51.119   1.0019 2.139221 1.429764 
1 1 1   16   10    1 o  100.901   0.9268  1367.69   25.117  1399.72   36.049  1337.46   35.015  102.061   1.3151   99.766   1.3067 2.295158 1.853883 
1 1 1   16   10    2 f  154.650   1.2802  3213.73   53.176  3226.39   75.412  3201.21   74.996  154.909   1.8125  154.304   1.8095 0.6052856 2.561147 
1 1 1   16   10    3 o  117.766   1.1924  1863.46   37.716  1865.29   46.260  1859.83   65.135  117.809   1.4620  117.592   2.0623 0.2165146 2.527890 
1 1 1   16   10    4 o  102.953   1.0297  1424.00   28.474  1437.12   36.947  1404.81   44.684  103.413   1.3302  102.228   1.6274 1.185249 2.101844 
1 1 1   16   10    5 o   72.696   0.8142  709.879   15.898  721.942   21.830  696.255   23.200   73.303   1.1088   71.984   1.1999 1.318642 1.633746 
1 1 1   16   10    6 o  111.802   1.0376  1679.33   31.157  1679.03   42.226  1679.70   46.164  111.773   1.4065  111.787   1.5375 -0.1386261E-01 2.083818 
1 1 1   16   10    7 o  124.582   1.0764  2085.31   36.019  2089.16   51.023  2081.49   50.854  124.669   1.5238  124.440   1.5215 0.2289581 2.153343 
1 1 1   16   10    8 o   43.130   0.7483  249.870   8.6679  255.273   12.926  245.455   11.684   43.588   1.1041   42.743   1.0178 0.8448524 1.501637 
1 1 1   16   10    9 o   33.119   0.8387  147.352   7.4606  160.093   11.968  139.254   9.5416   34.515   1.2910   32.193   1.1035 2.321629 1.698313 
1 1 1   16   10   10 o   85.706   0.8422  986.785   19.386  996.822   27.536  976.920   27.299   86.127   1.1903   85.263   1.1920 0.8641815 1.684588 
1 1 1   16   10   11 o   21.440   0.9514   61.759   5.4790   68.619   7.6056   54.358   7.8996   22.561   1.2602   20.054   1.4770 2.506447 1.941521 
1 1 1   16   10   12 o   87.563   0.8529  1030.04   20.059  1019.94   28.211  1040.38   28.528   87.116   1.2057   87.985   1.2072 -0.8685074 1.706147 
1 1 1   16   10   13 o   77.863   0.8398  814.498   17.563  817.142   25.977  812.272   23.837   77.973   1.2404   77.745   1.1415 0.2278748 1.685720 
1 1 1   16   10   14 o  132.661   1.1840  2365.32   42.187  2362.33   62.468  2367.82   57.201  132.515   1.7551  132.688   1.6050 -0.1726685 2.378336 
1 1 1   16   10   15 o   20.440   1.0819   56.305   5.9184   57.566   8.6112   55.177   8.1477   20.630   1.5658   20.199   1.5128 0.4301090 2.177188 
1 1 1   16   10   16 o   60.853   0.8074  497.513   13.197  496.203   20.354  498.462   17.334   60.755   1.2473   60.902   1.0597 -0.1465263 1.636650 
1 1 1   16   10   17 o  127.231   1.1470  2175.87   39.197  2141.62   57.370  2205.86   53.680  126.160   1.6931  128.057   1.5607 -1.896988 2.302658 
1 1 1   16   10   18 o   28.723   0.9197  110.864   7.0955  114.952   8.9870  104.098   11.562   29.243   1.1442   27.774   1.5561 1.469330 1.931497 
1 1 1   16   10   19 o   26.226   0.9527   92.435   6.7109   96.742   8.6088   85.764   10.714   26.825   1.1948   25.197   1.5914 1.628298 1.989991 
1 1 1   16   10   20 o  115.126   1.0241  1781.46   31.667  1809.48   45.066  1754.14   44.506  115.980   1.4467  114.192   1.4511 1.787964 2.049048 
1 1 1   16   10   21 o   39.628   0.7532  210.995   8.0163  209.157   10.986  213.089   11.723   39.447   1.0369   39.814   1.0963 -0.3669510 1.508997 
1 1 1   16   10   22 o   60.612   0.8592  493.699   13.988  485.856   18.694  503.679   21.087   60.113   1.1578   61.197   1.2829 -1.084419 1.728114 
1 1 1   16   10   23 o   51.712   0.8120  359.349   11.278  360.637   17.046  358.345   15.040   51.785   1.2255   51.628   1.0846 0.1569557 1.636563 
1 1 1   16   10   24 o   37.164   0.8409  185.619   8.3936  173.023   11.363  200.747   12.453   35.869   1.1794   38.635   1.2000 -2.766075 1.682577 
1 1 1   16   10   25 o   94.879   0.9969  1210.21   25.405  1182.22   35.331  1240.18   36.556   93.726   1.4035   95.994   1.4178 -2.267853 1.994965 
1 1 1   16   10   26 o   10.018   2.0769   14.044   5.4049   18.142   6.9562   7.8006   8.5860   11.380   2.3536   8.3072   3.0007 3.072329 3.813636 
1 1 1   16   10   27 o   34.229   0.8832  157.498   8.1197  157.861   10.907  157.048   12.161   34.255   1.1855   34.159   1.3254 0.9582520E-01 1.778265 
1 1 1   16   10   28 o   61.660   0.7696  511.010   12.746  500.981   17.554  522.193   18.536   61.029   1.0709   62.304   1.1077 -1.275158 1.540702 
1 1 1   16   10   29 o   9.3692   2.3004   12.355   5.7465   8.9463   7.5591   17.022   8.8451   8.3923   2.8295   10.996   2.9387 -2.603298 4.079452 
1 1 1   16   10   30 o   76.706   0.9154  791.292   18.859  766.356   25.782  819.990   27.659   75.438   1.2725   78.025   1.3198 -2.587044 1.833306 
1 1 1   16   10   31 o   53.234   0.8065  381.038   11.531  375.615   15.036  388.785   17.969   52.831   1.0596   53.728   1.2452 -0.8970337 1.635011 
1 1 1   16   10   32 o   42.742   0.7861  245.639   9.0240  247.512   12.259  243.423   13.332   42.882   1.0643   42.517   1.1675 0.3653564 1.579819 
1 1 1   16   10   33 f   32.879   0.8451  145.394   7.4629  141.287   9.9052  150.788   11.350   32.391   1.1385   33.452   1.2632 -1.060722 1.700588 
1 1 1   16   10   34 o   56.556   0.8249  430.210   12.531  419.539   17.161  442.397   18.341   55.811   1.1448   57.304   1.1916 -1.493286 1.652442 
1 1 1   16   10   35 o   22.573   1.0304   68.598   6.2474   64.837   8.0534   74.282   9.9002   21.881   1.3773   23.397   1.5847 -1.515894 2.099620 
1 1 1   16   10   36 o   41.977   0.8437  237.050   9.5125  233.275   13.496  240.777   13.410   41.603   1.2078   42.270   1.1811 -0.6669540 1.689328 
1 1 1   16   10   37 o   41.013   0.9445  226.421   10.404  228.773   14.208  223.701   15.278   41.185   1.2844   40.709   1.3972 0.4751472 1.897854 
1 1 1   16   10   38 o   55.954   0.8487  421.313   12.754  412.829   16.612  433.495   19.907   55.347   1.1175   56.679   1.3076 -1.331753 1.720085 
1 1 1   16   10   39 o   55.659   0.8546  416.968   12.776  430.084   16.676  398.330   19.879   56.487   1.0991   54.308   1.3628 2.178692 1.750797 
1 1 1   16   10   40 o   17.640   1.3710   42.297   6.4447   43.149   7.7526   40.391   11.595   17.772   1.6427   16.964   2.6299 0.8081341 3.100792 
1 1 1   16   10   41 o   15.010   1.5941   30.865   6.3287   35.159   7.2556   17.205   12.940   16.009   1.7141   11.227   3.7001 4.781631 4.077865 
1 1 1   16   10   42 o   35.661   0.8841  171.279   8.4682  171.126   10.243  171.612   15.050   35.621   1.0707   35.583   1.5748 0.3738022E-01 1.904258 
1 1 1   16   10   43 o   17.888   1.3120   43.483   6.2595   53.291   7.7507   25.090   10.614   19.785   1.4690   13.184   3.0570 6.601661 3.391625 
1 1 1   16   10   44 o   43.887   0.9100  259.502   10.727  262.331   15.440  256.863   14.914   44.051   1.3050   43.596   1.2737 0.4546661 1.823558 
1 1 1   16   10   45 o   32.018   1.0696  138.299   9.1983  126.187   12.429  152.968   13.678   30.515   1.5164   33.597   1.5157 -3.082506 2.144045 
1 1 1   16   10   46 o   20.807   1.4468   58.917   8.0352   49.776   10.836   70.082   11.976   18.953   2.1676   22.575   1.9957 -3.622166 2.946439 
1 1 1   16   10   47 o   35.670   0.9429  171.552   9.0334  177.718   12.304  164.344   13.304   36.248   1.2638   34.825   1.4224 1.423504 1.902723 
1 1 1   16   10   48 o   15.308   2.1758   32.803   8.6941   31.569   12.050   34.142   12.557   14.721   3.1431   15.318   3.1569 -0.5967913 4.454736 
1 1 1   16   10   49 o   49.013   0.9971  324.450   13.127  340.964   18.606  308.085   18.522   50.114   1.3823   47.612   1.4484 2.502644 2.002135 
1 1 1   16   10   50 o   22.758   1.8358   71.541   11.126   51.292   19.297   81.623   13.617   18.285   4.0371   24.211   2.1152 -5.926188 4.557652 
1 1 1   16   10   51 o   6.7996   3.0967  -5.8965   12.451   3.5343   18.206 -14.1826   17.065   9.4165   4.0336   7.2894   3.4238 2.127146 5.290767 
1 1 1   16   10   52 o   22.384   2.5822   72.022   15.240   62.417   19.235   88.220   24.979   20.160   3.6882   23.753   4.0612 -3.593369 5.485967 
1 1 1   16   10   53 o   17.337   2.9913   44.937   13.426   46.008   19.402   43.952   18.599   16.702   4.2994   16.380   4.2057 0.3218803 6.014401 
1 1 1   16   10   54 o   13.771   3.4178   29.901   12.582   27.801   19.122   31.505   16.709   12.915   4.4957   13.744   4.1656 -0.8286343 6.128957 
1 1 1   16   11  -53 o   14.181   4.7222   35.100   21.057   0.0000   0.0000   35.100   21.057  ?   ?    14.181   4.7222 0.000000 4.722214 
1 1 1   16   11  -52 o   34.583   2.4134  170.884   22.277   0.0000   0.0000  170.884   22.277  ?   ?    34.583   2.4134 0.000000 2.413377 
1 1 1   16   11  -51 o   22.865   3.1414   77.427   18.783   0.0000   0.0000   77.427   18.783  ?   ?    22.865   3.1414 0.000000 3.141368 
1 1 1   16   11  -50 o   24.761   2.1018   85.720   13.846  114.384   20.559   61.926   18.731   28.257   2.7434   20.271   3.5706 7.985302 4.502861 
1 1 1   16   11  -49 o   28.027   1.9708  108.748   14.741  108.003   21.467  109.413   20.279   27.427   2.9611   27.723   2.7601 -0.2956123 4.047977 
1 1 1   16   11  -48 o   16.180   2.8463   37.737   11.917   71.793   17.293   6.9356   16.446   22.401   2.9457   9.6780   3.9659 12.72255 4.940170 
1 1 1   16   11  -47 o   27.027   1.8618  100.274   13.433  101.325   18.675   99.147   19.336   26.889   2.6190   26.538   2.7527 0.3503590 3.799591 
1 1 1   16   11  -46 o   23.535   1.9173   76.114   12.014   76.504   14.073   75.067   23.075   23.494   2.2579   22.586   3.9475 0.9081860 4.547602 
1 1 1   16   11  -45 o   18.216   1.9057   45.719   9.1859   44.783   12.403   46.857   13.671   17.813   2.6751   18.155   2.9011 -0.3424644 3.946239 
1 1 1   16   11  -44 o   10.804   2.8070   16.772   8.2191   23.239   11.501   10.023   11.750   12.642   3.3379   9.3910   3.4905 3.251418 4.829599 
1 1 1   16   11  -43 o   23.123   1.7693   73.120   10.905   67.633   17.868   76.378   13.767   21.816   3.1398   23.521   2.2048 -1.705227 3.836577 
1 1 1   16   11  -42 o   49.380   1.1622  329.218   15.414  321.434   22.086  336.611   21.523   48.648   1.6903   49.810   1.6088 -1.161541 2.333508 
1 1 1   16   11  -41 o   34.698   1.3006  162.740   12.121  177.845   19.949  153.900   15.261   36.038   2.0696   33.625   1.6952 2.412567 2.675258 
1 1 1   16   11  -40 o   11.563   3.0279   19.234   9.5150   17.013   15.618   20.544   11.999   11.489   4.0584   11.971   3.5065 -0.4817867 5.363466 
1 1 1   16   11  -39 o   50.859   1.2011  349.108   16.407  342.711   20.141  361.729   28.288   50.324   1.4901   51.529   2.0439 -1.205181 2.529377 
1 1 1   16   11  -38 o   16.837   1.9067   38.983   8.4706   46.543   11.684   30.606   12.298   18.293   2.4387   14.588   3.2245 3.704170 4.042865 
1 1 1   16   11  -37 o   32.234   1.1807  140.113   10.222  129.110   13.980  152.755   14.985   30.831   1.6947   33.590   1.6609 -2.759308 2.372894 
1 1 1   16   11  -36 o   22.811   1.5262   70.634   9.2969   66.926   12.161   75.850   14.422   22.100   2.0729   23.484   2.3166 -1.384232 3.108642 
1 1 1   16   11  -35 o   17.771   1.9601   43.337   9.2003   57.714   11.615   19.125   15.073   20.502   2.1408   11.962   3.9957 8.540644 4.533067 
1 1 1   16   11  -34 o   37.267   1.0826  187.043   10.836  194.450   15.335  179.654   15.316   37.947   1.5045   36.467   1.5637 1.480392 2.169962 
1 1 1   16   11  -33 o   48.918   0.9182  321.999   12.065  347.707   26.988  315.578   13.487   50.651   1.9837   48.415   1.0372 2.236675 2.238511 
1 1 1   16   11  -32 o   65.999   0.8732  585.975   15.480  581.866   25.341  588.420   19.551   65.673   1.4366   66.104   1.1012 -0.4312897 1.810099 
1 1 1   16   11  -31 o   16.930   1.4171   38.923   6.3846   30.293   15.479   40.692   7.0086   14.536   3.8886   17.299   1.5240 -2.762867 4.176555 
1 1 1   16   11  -30 o   36.727   0.9146  181.442   9.0221  210.372   18.383  172.263   10.355   39.462   1.7344   35.774   1.0777 3.687904 2.041960 
1 1 1   16   11  -29 o   76.134   0.9297  779.660   19.011  780.081   25.904  779.168   27.987   76.103   1.2673   76.040   1.3703 0.6330109E-01 1.866480 
1 1 1   16   11  -28 o   20.136   1.1502   54.752   6.1948   51.105   8.3263   59.273   9.2713   19.399   1.6126   20.895   1.6659 -1.495584 2.318539 
1 1 1   16   11  -27 o   35.620   0.8395  170.578   8.0318  160.706   11.160  181.187   11.569   34.555   1.2024   36.692   1.1739 -2.137783 1.680391 
1 1 1   16   11  -26 o   56.018   0.8175  421.815   12.300  410.477   17.263  433.507   17.530   55.234   1.1636   56.764   1.1498 -1.529594 1.635849 
1 1 1   16   11  -25 o   78.427   0.9046  826.870   19.056  820.755   26.833  833.092   27.066   78.096   1.2792   78.680   1.2808 -0.5845413 1.810191 
1 1 1   16   11  -24 f   99.579   1.0846  1333.50   29.010  1365.61   44.315  1309.41   38.375  100.682   1.6387   98.622   1.4487 2.059784 2.187279 
1 1 1   16   11  -23 o   16.995   1.2310   39.054   5.5810   35.563   7.4838   43.429   8.3771   16.152   1.7532   17.866   1.7690 -1.713902 2.490611 
1 1 1   16   11  -22 o   85.714   0.8489  987.381   19.543  1001.01   27.693  973.857   27.585   86.273   1.1951   85.093   1.2069 1.179451 1.698501 
1 1 1   16   11  -21 o   40.092   0.7415  215.975   7.9848  197.068   11.291  234.889   11.293   38.285   1.0980   41.801   1.0059 -3.516457 1.489113 
1 1 1   16   11  -20 o   82.514   0.9573  915.134   21.217  890.854   30.793  937.079   29.275   81.373   1.4089   83.468   1.3058 -2.095055 1.921002 
1 1 1   16   11  -19 o   30.971   0.9010  128.905   7.4947  128.826   8.8213  129.109   14.211   30.957   1.0609   30.919   1.7180 0.3799248E-01 2.019144 
1 1 1   16   11  -18 o   61.364   0.9539  506.083   15.721  489.668   20.038  532.364   25.355   60.345   1.2363   62.902   1.5008 -2.556854 1.944405 
1 1 1   16   11  -17 o   39.216   0.8167  206.648   8.6026  216.428   10.583  187.595   14.770   40.129   0.9819   37.343   1.4726 2.786503 1.769943 
1 1 1   16   11  -16 o  143.819   1.2651  2781.16   48.868  2780.46   65.973  2782.01   72.741  143.729   1.7090  143.734   1.8842 -0.5676270E-02 2.543761 
1 1 1   16   11  -15 o   56.040   0.7836  421.947   11.795  419.829   15.274  425.076   18.563   55.891   1.0175   56.229   1.2291 -0.3384895 1.595610 
1 1 1   16   11  -14 o   83.101   0.8283  927.846   18.488  953.437   26.370  903.106   25.928   84.219   1.1658   81.965   1.1777 2.253883 1.657105 
1 1 1   16   11  -13 o  108.840   0.9780  1591.90   28.589  1613.43   40.668  1570.85   40.199  109.540   1.3822  108.085   1.3847 1.455391 1.956526 
1 1 1   16   11  -12 o   75.707   0.8314  770.060   16.906  784.656   25.340  758.352   22.696   76.401   1.2348   75.116   1.1249 1.285408 1.670411 
1 1 1   16   11  -11 o  113.562   1.0522  1733.06   32.093  1721.20   47.498  1743.03   43.533  113.128   1.5632  113.857   1.4235 -0.7293472 2.114243 
1 1 1   16   11  -10 o   77.183   0.8386  800.342   17.384  793.966   25.856  805.602   23.485   76.856   1.2525   77.423   1.1293 -0.5675659 1.686476 
1 1 1   16   11   -9 o   85.373   0.8791  979.226   20.157  967.597   29.921  988.890   27.276   84.842   1.3130   85.778   1.1839 -0.9359589 1.767929 
1 1 1   16   11   -8 o   89.385   0.8618  1073.40   20.689  1060.31   29.160  1086.66   29.359   88.821   1.2223   89.918   1.2156 -1.097099 1.723898 
1 1 1   16   11   -7 o   58.805   0.7876  464.548   12.440  453.442   19.303  472.436   16.269   58.085   1.2373   59.296   1.0215 -1.211327 1.604486 
1 1 1   16   11   -6 o  103.982   1.0324  1452.80   28.832  1426.91   45.058  1470.76   37.520  103.011   1.6285  104.604   1.3354 -1.593147 2.106046 
1 1 1   16   11   -5 o   56.117   0.9107  423.084   13.727  408.852   20.716  434.223   18.328   55.151   1.3985   56.843   1.2005 -1.692326 1.843075 
1 1 1   16   11   -4 o  128.982   1.2739  2235.86   44.133  2175.30   75.114  2267.80   54.540  127.128   2.1998  129.875   1.5635 -2.747025 2.698843 
1 1 1   16   11   -3 o   86.502   1.0276  1005.37   23.875  1005.15   47.343  1005.44   27.648   86.432   2.0393   86.498   1.1901 -0.6665039E-01 2.361170 
1 1 1   16   11   -2 o  107.547   1.1797  1554.29   34.076  1663.85   57.568  1495.20   42.278  111.215   1.9272  105.463   1.4925 5.751709 2.437562 
1 1 1   16   11   -1 o   63.655   0.8078  544.320   13.812  520.185   21.457  561.397   18.048   62.214   1.2841   64.640   1.0396 -2.425709 1.652115 
1 1 1   16   11    0 o   91.945   0.9553  1135.77   23.591  1123.57   37.058  1144.08   30.590   91.422   1.5092   92.268   1.2344 -0.8462677 1.949681 
1 1 1   16   11    1 o  116.802   1.2527  1833.45   39.300  1864.54   56.094  1803.48   55.078  117.747   1.7737  115.803   1.7708 1.943939 2.506315 
1 1 1   16   11    2 o   83.517   0.9122  937.077   20.463  968.982   29.451  907.299   28.452   84.911   1.2913   82.164   1.2893 2.746918 1.824762 
1 1 1   16   11    3 o   75.205   0.8250  759.783   16.664  755.916   24.826  762.954   22.481   74.999   1.2324   75.352   1.1108 -0.3532181 1.659121 
1 1 1   16   11    4 o  155.337   1.4845  3243.80   61.938  3245.18   92.791  3242.70   83.182  155.270   2.2250  155.246   1.9949 0.2441406E-01 2.988318 
1 1 1   16   11    5 o   95.695   1.1732  1230.62   30.153  1282.75   46.899  1193.89   39.369   97.659   1.7880   94.233   1.5555 3.426041 2.369882 
1 1 1   16   11    6 o   62.513   0.8458  525.000   14.201  528.923   21.372  521.898   19.004   62.733   1.2684   62.320   1.1353 0.4131355 1.702304 
1 1 1   16   11    7 o  148.894   1.6231  2981.23   64.910  3001.39  121.455  2973.16   76.798  149.151   3.0318  148.653   1.9235 0.4978180 3.590460 
1 1 1   16   11    8 o   73.061   0.9418  717.185   18.481  695.758   29.792  730.588   23.562   71.933   1.5420   73.730   1.1898 -1.797020 1.947662 
1 1 1   16   11    9 o   41.305   0.7795  229.193   8.6479  236.779   13.463  223.865   11.284   41.973   1.1942   40.817   1.0292 1.156563 1.576524 
1 1 1   16   11   10 o   68.688   0.8306  633.866   15.324  650.311   24.223  622.893   19.786   69.554   1.2966   68.082   1.0820 1.472137 1.688768 
1 1 1   16   11   11 o   95.169   0.9335  1216.97   23.862  1197.54   34.985  1233.87   32.629   94.377   1.3801   95.807   1.2680 -1.429459 1.874190 
1 1 1   16   11   12 o   67.306   0.7895  608.609   14.272  604.277   20.888  612.402   19.547   67.051   1.1598   67.504   1.0781 -0.4531097 1.583518 
1 1 1   16   11   13 o   46.009   0.7218  284.372   8.9191  291.238   12.631  277.545   12.596   46.553   1.0102   45.445   1.0319 1.108204 1.444080 
1 1 1   16   11   14 o   58.174   0.7417  454.654   11.588  460.315   16.326  448.904   16.452   58.524   1.0386   57.793   1.0599 0.7308311 1.483916 
1 1 1   16   11   15 o   43.256   0.7352  251.375   8.5415  249.128   11.952  253.720   12.211   43.054   1.0336   43.448   1.0464 -0.3945007 1.470769 
1 1 1   16   11   16 o  103.947   0.9522  1452.07   26.584  1452.77   37.463  1451.35   37.728  103.937   1.3420  103.885   1.3521 0.5171967E-01 1.905028 
1 1 1   16   11   17 o   83.574   0.9162  938.639   20.566  931.090   26.510  950.049   32.594   83.219   1.1860   84.039   1.4440 -0.8201981 1.868633 
1 1 1   16   11   18 o   46.641   0.7994  292.306   10.014  305.100   13.781  277.993   14.576   47.641   1.0770   45.470   1.1935 2.170555 1.607601 
1 1 1   16   11   19 o   58.199   0.7470  455.095   11.677  457.365   16.340  452.726   16.694   58.330   1.0429   58.032   1.0710 0.2981110 1.494916 
1 1 1   16   11   20 o  106.323   1.0648  1519.71   30.408  1527.66   43.049  1511.81   42.958  106.545   1.5043  105.990   1.5090 0.5546951 2.130725 
1 1 1   16   11   21 o   49.781   0.7753  332.999   10.367  323.059   13.741  346.132   15.794   49.021   1.0436   50.735   1.1590 -1.714176 1.559662 
1 1 1   16   11   22 o   34.782   0.9604  162.620   8.9724  166.276   11.983  157.954   13.537   35.158   1.2689   34.257   1.4712 0.9007683 1.942811 
1 1 1   16   11   23 o   39.899   0.8012  213.939   8.5857  219.887   11.306  205.836   13.196   40.440   1.0409   39.116   1.2560 1.323952 1.631269 
1 1 1   16   11   24 f   91.444   0.9270  1124.12   22.768  1125.62   30.857  1122.33   33.732   91.467   1.2560   91.316   1.3753 0.1506119 1.862544 
1 1 1   16   11   25 o   46.539   0.8674  291.140   10.843  296.933   15.394  285.437   15.275   46.977   1.2200   46.058   1.2348 0.9193802 1.735813 
1 1 1   16   11   26 o   33.462   0.8647  150.528   7.7712  159.385   11.009  141.731   10.971   34.417   1.1909   32.451   1.2588 1.965691 1.732859 
1 1 1   16   11   27 o   33.916   0.9550  154.694   8.6993  153.706   13.175  155.458   11.583   33.777   1.4523   33.981   1.2691 -0.2047691 1.928668 
1 1 1   16   11   28 o   64.571   0.8384  560.587   14.540  563.648   20.733  557.624   20.397   64.708   1.1929   64.363   1.1799 0.3450699 1.677822 
1 1 1   16   11   29 o   48.826   0.8098  320.543   10.620  313.374   14.987  327.774   15.050   48.247   1.1565   49.345   1.1356 -1.098244 1.620796 
1 1 1   16   11   30 o   42.704   0.8153  245.230   9.3513  250.474   12.142  237.585   14.660   43.140   1.0479   41.991   1.2999 1.148983 1.669654 
1 1 1   16   11   31 o   23.589   0.9919   74.886   6.2848   75.100   8.1607   74.574   9.8524   23.571   1.2940   23.452   1.5733 0.1193104 2.037036 
1 1 1   16   11   32 o   34.573   0.8281  160.769   7.6902  167.707   10.311  152.072   11.545   35.292   1.0878   33.589   1.2796 1.702236 1.679473 
1 1 1   16   11   33 o   34.721   0.8647  162.180   8.0638  167.143   10.845  156.044   12.059   35.225   1.1463   34.018   1.3197 1.206493 1.748080 
1 1 1   16   11   34 o   37.724   0.8725  191.467   8.8402  195.561   12.441  187.294   12.563   38.091   1.2161   37.273   1.2549 0.8181763 1.747462 
1 1 1   16   11   35 o   48.240   0.8144  313.050   10.552  320.849   14.714  304.791   15.141   48.799   1.1226   47.554   1.1854 1.245663 1.632613 
1 1 1   16   11   36 o   14.588   1.4880   29.045   5.7485   28.960   7.2298   29.191   9.4786   14.493   1.9033   14.414   2.5412 0.7843971E-01 3.174941 
1 1 1   16   11   37 o   44.290   0.8074  263.938   9.6042  275.569   13.064  250.260   14.167   45.222   1.0756   43.073   1.2246 2.148239 1.629883 
1 1 1   16   11   38 o   35.323   0.8696  167.961   8.2497  169.252   10.861  166.199   12.684   35.427   1.1414   35.078   1.3463 0.3492088 1.764996 
1 1 1   16   11   39 o   9.4101   2.3991   12.587   6.0822   15.776   6.7905  -0.3524   13.678   10.526   2.4481   8.0695   3.4771 2.456233 4.252437 
1 1 1   16   11   40 o   43.483   0.8239  254.554   9.6219  246.549   11.635  271.873   17.114   42.766   1.0129   44.827   1.4214 -2.061035 1.745394 
1 1 1   16   11   41 o   34.804   0.9125  163.195   8.5297  170.695   10.153  145.198   15.727   35.574   1.0625   32.630   1.8014 2.944427 2.091445 
1 1 1   16   11   42 o   62.060   0.8660  518.780   14.435  516.045   18.069  523.605   24.000   61.844   1.0878   62.187   1.4369 -0.3432159 1.802191 
1 1 1   16   11   43 o   12.748   1.9281   22.625   6.3955   28.209   7.7514   10.717   11.319   14.225   2.0912   9.4658   3.4414 4.759068 4.026940 
1 1 1   16   11   44 o   7.7323   2.5259   7.9751   6.0351   10.953   7.5981   2.8861   9.9336   8.9305   2.8266   7.4663   3.0735 1.464220 4.175642 
1 1 1   16   11   45 o   14.026   1.7568   27.169   6.4735   22.254   8.2784   34.903   10.386   12.487   2.5544   15.722   2.5465 -3.234912 3.606887 
1 1 1   16   11   46 o   30.868   1.0603  128.621   8.7906  135.435   12.424  121.789   12.440   31.602   1.4637   29.910   1.5539 1.691711 2.134683 
1 1 1   16   11   47 o   38.297   1.0490  198.069   10.790  209.190   14.844  185.608   15.713   39.270   1.4073   36.941   1.5836 2.328716 2.118599 
1 1 1   16   11   48 o   23.903   1.3277   77.748   8.4905   77.909   11.153   77.525   13.094   23.812   1.7562   23.645   2.0831 0.1667652 2.724606 
1 1 1   16   11   49 o   32.101   1.8849  142.165   16.181  149.183   23.058  135.357   22.712   32.464   2.6680   30.852   2.7703 1.611473 3.846141 
1 1 1   16   11   50 o   11.799   4.4990   18.425   19.798   13.440   37.794   20.310   23.242   13.156   5.7240   12.423   4.8381 0.7332335 7.494792 
1 1 1   16   11   51 o   21.800   2.3276   67.558   13.418   77.295   19.852   59.369   18.206   22.701   3.3572   19.717   3.5691 2.983955 4.899877 
1 1 1   16   11   52 o   7.2518   3.1662  -0.0220   11.652   2.5853   16.228  -2.7968   16.741   8.7111   3.7703   8.1784   3.6701 0.5327320 5.261650 
1 1 1   16   11   53 o   18.744   2.7836   52.240   13.588   40.934   21.027   60.347   17.805   15.273   4.6820   19.652   3.5015 -4.379598 5.846495 
1 1 1   16   12  -52 o   23.395   4.1367   89.620   25.042   0.0000   0.0000   89.620   25.042  ?   ?    23.395   4.1367 0.000000 4.136697 
1 1 1   16   12  -51 o   41.599   2.2192  244.956   24.706   0.0000   0.0000  244.956   24.706  ?   ?    41.599   2.2192 0.000000 2.219215 
1 1 1   16   12  -50 o   9.3055   3.9477   5.1406   17.140   0.0000   0.0000   5.1406   17.140  ?   ?    9.3055   3.9477 0.000000 3.947671 
1 1 1   16   12  -49 o   20.887   2.4704   62.159   13.591   78.530   20.134   48.457   18.420   22.991   3.3597   17.628   3.9842 5.363266 5.211613 
1 1 1   16   12  -48 o   24.904   2.0588   86.271   13.648   69.125   19.498  102.740   19.109   21.594   3.4801   26.883   2.6823 -5.289213 4.393892 
1 1 1   16   12  -47 o   7.5506   3.1751   2.1061   10.931   23.810   16.094 -16.4847   14.895   12.709   4.1234   6.5556   3.1148 6.153132 5.167615 
1 1 1   16   12  -46 f   6.4044   2.9103  -5.6669   10.920  -1.7656   15.526  -9.4855   15.360   8.2898   3.6361   7.3668   3.3866 0.9230504 4.968932 
1 1 1   16   12  -45 o   28.702   1.5391  112.188   11.822  122.141   14.948   95.566   19.317   29.854   1.8736   26.060   2.8038 3.793575 3.372207 
1 1 1   16   12  -44 o   8.7837   3.0222   9.9830   8.6292   24.813   12.068  -5.5346   12.344   13.025   3.4096   6.9251   3.1257 6.099505 4.625500 
1 1 1   16   12  -43 o   6.7078   2.8075   1.4514   8.4839  -5.6145   11.584   9.6254   12.459   6.6697   3.0175   9.4397   3.5763 -2.770040 4.679258 
1 1 1   16   12  -42 o   27.048   1.2794   98.923   9.2945  109.926   19.327   95.612   10.601   28.111   2.5888   26.518   1.4944 1.592655 2.989180 
1 1 1   16   12  -41 o   19.339   1.8723   51.406   9.6038   59.331   13.362   42.938   13.813   20.629   2.4601   17.314   3.0833 3.314501 3.944439 
1 1 1   16   12  -40 o   20.479   1.8605   57.550   10.122   93.701   16.538   35.897   12.799   26.015   2.3936   15.792   3.1281 10.22341 3.938838 
1 1 1   16   12  -39 f   40.674   1.1853  223.378   12.949  224.630   20.916  222.600   16.489   40.612   1.9175   40.535   1.5145 0.7761383E-01 2.443437 
1 1 1   16   12  -38 o   30.073   1.4406  122.368   11.637  116.688   14.175  134.105   20.378   29.249   1.8133   31.172   2.4537 -1.923101 3.051003 
1 1 1   16   12  -37 o   24.418   1.3935   80.852   9.1012   95.396   12.943   66.627   12.800   26.442   1.8337   21.993   2.1963 4.449678 2.861175 
1 1 1   16   12  -36 o   25.706   1.0314   89.036   7.1210   90.663   12.484   88.251   8.6698   25.790   1.8138   25.572   1.2623 0.2181740 2.209812 
1 1 1   16   12  -35 o   42.821   0.9030  246.831   10.386  251.100   17.077  244.324   13.084   43.105   1.4750   42.573   1.1443 0.5325432 1.866789 
1 1 1   16   12  -34 o   36.754   0.9832  181.887   9.7057  192.618   15.411  174.832   12.495   37.754   1.5198   35.999   1.2923 1.754078 1.994895 
1 1 1   16   12  -33 o   31.872   0.9533  136.742   8.1606  115.544   13.833  148.059   10.107   29.161   1.7745   33.149   1.1351 -3.987381 2.106557 
1 1 1   16   12  -32 o   9.4004   2.4333   12.488   6.1916   23.452   14.266   9.9432   6.8726   12.881   3.8367   8.5650   2.6852 4.315625 4.683051 
1 1 1   16   12  -31 o   47.498   0.7919  303.422   10.103  309.987   15.266  298.308   13.475   47.965   1.1850   47.067   1.0659 0.8973694 1.593885 
1 1 1   16   12  -30 o   31.804   0.9222  136.100   7.8774  139.471   11.139  132.729   11.142   32.166   1.2893   31.376   1.3221 0.7901077 1.846669 
1 1 1   16   12  -29 o   59.777   0.9382  480.765   15.064  517.191   24.194  457.705   19.250   61.919   1.4548   58.286   1.2296 3.632488 1.904818 
1 1 1   16   12  -28 o   64.483   1.0115  559.544   17.518  564.242   21.206  549.449   31.086   64.724   1.2199   63.756   1.8153 0.9676514 2.187124 
1 1 1   16   12  -27 o   37.499   0.8945  189.118   9.0092  195.812   12.001  180.473   13.637   38.137   1.1716   36.594   1.3875 1.542583 1.815971 
1 1 1   16   12  -26 f   31.950   0.8298  137.249   7.1211  146.225   10.629  129.941   9.5918   32.957   1.2008   31.071   1.1493 1.886112 1.662188 
1 1 1   16   12  -25 o   70.631   0.8280  670.680   15.707  666.857   23.383  673.824   21.204   70.384   1.2369   70.766   1.1156 -0.3822479 1.665665 
1 1 1   16   12  -24 o   22.618   0.8725   68.776   5.3004   71.745   6.9744   64.716   8.1552   23.093   1.1244   21.878   1.3951 1.214972 1.791835 
1 1 1   16   12  -23 o   41.891   0.7683  235.848   8.6444  240.285   11.360  229.746   13.323   42.272   1.0006   41.322   1.2004 0.9492378 1.562718 
1 1 1   16   12  -22 o   31.866   0.9569  136.524   8.1899  135.192   10.891  138.259   12.425   31.697   1.2792   32.046   1.4435 -0.3488884 1.928794 
1 1 1   16   12  -21 o   97.682   1.0592  1283.04   27.789  1291.85   41.245  1275.72   37.605   97.942   1.5679   97.351   1.4382 0.5916443 2.127587 
1 1 1   16   12  -20 o   63.489   0.8068  541.706   13.758  541.436   19.320  541.983   19.597   63.452   1.1336   63.483   1.1493 -0.3085327E-01 1.614326 
1 1 1   16   12  -19 o   43.660   0.8381  256.179   9.8281  258.210   13.956  254.180   13.843   43.817   1.1858   43.474   1.1855 0.3432159 1.676784 
1 1 1   16   12  -18 o   65.654   0.7976  579.223   14.065  577.952   18.774  580.850   21.235   65.566   1.0661   65.720   1.2030 -0.1543961 1.607370 
1 1 1   16   12  -17 o   88.666   0.8633  1056.51   20.559  1069.73   29.114  1043.36   29.035   89.189   1.2153   88.081   1.2273 1.107307 1.727215 
1 1 1   16   12  -16 o   49.048   0.7433  323.241   9.7920  321.251   13.024  325.828   14.852   48.888   0.9918   49.229   1.1232 -0.3409805 1.498461 
1 1 1   16   12  -15 o   41.959   0.8420  236.579   9.4897  233.695   12.709  240.213   14.267   41.692   1.1349   42.264   1.2568 -0.5721130 1.693381 
1 1 1   16   12  -14 o   61.650   0.9695  510.820   16.053  517.484   19.345  496.081   28.768   62.041   1.1609   60.700   1.7646 1.340816 2.112182 
1 1 1   16   12  -13 o   57.207   0.7279  439.680   11.185  419.621   15.439  461.834   16.226   55.875   1.0288   58.618   1.0306 -2.743004 1.456189 
1 1 1   16   12  -12 o   92.098   0.9209  1139.84   22.779  1118.04   33.586  1158.41   30.998   91.177   1.3714   92.820   1.2434 -1.643463 1.851180 
1 1 1   16   12  -11 o   64.707   0.7867  562.549   13.672  549.238   20.208  573.784   18.566   63.919   1.1771   65.338   1.0580 -1.419041 1.582671 
1 1 1   16   12  -10 o   54.982   0.7216  406.130   10.656  414.134   15.144  398.279   14.998   55.511   1.0157   54.438   1.0258 1.073395 1.443535 
1 1 1   16   12   -9 o   56.574   0.7281  429.984   11.064  415.715   15.511  444.763   15.785   55.617   1.0383   57.528   1.0216 -1.910946 1.456644 
1 1 1   16   12   -8 o   41.451   0.7187  230.825   8.0014  224.818   11.348  236.764   11.283   40.901   1.0330   41.974   1.0008 -1.073586 1.438327 
1 1 1   16   12   -7 o  123.706   1.0717  2056.67   35.609  2020.68   49.887  2094.06   50.845  122.574   1.5153  124.779   1.5171 -2.205574 2.144228 
1 1 1   16   12   -6 o  110.393   0.9870  1637.59   29.266  1624.19   41.257  1651.17   41.522  109.906   1.3976  110.816   1.3950 -0.9092026 1.974690 
1 1 1   16   12   -5 o  155.322   1.2866  3243.16   53.673  3235.23   75.830  3251.13   75.982  155.054   1.8208  155.435   1.8200 -0.3807220 2.574440 
1 1 1   16   12   -4 f   70.878   0.8992  674.993   17.119  673.789   23.176  676.440   25.396   70.801   1.2187   70.934   1.3330 -0.1329575 1.806144 
1 1 1   16   12   -3 o   60.882   0.7674  497.964   12.549  498.936   18.851  497.190   16.817   60.929   1.1519   60.827   1.0294 0.1019363 1.544850 
1 1 1   16   12   -2 o   48.646   0.7791  317.914   10.180  312.012   16.428  321.594   12.971   48.178   1.2695   48.921   0.9871 -0.7432671 1.608142 
1 1 1   16   12   -1 f   47.304   0.7789  300.611   9.8959  309.465   14.450  292.791   13.580   47.986   1.1212   46.677   1.0832 1.309559 1.558953 
1 1 1   16   12    0 o   39.303   0.8079  207.523   8.5284  208.150   11.303  206.694   12.996   39.356   1.0692   39.214   1.2339 0.1421852 1.632697 
1 1 1   16   12    1 f   42.140   0.7210  238.553   8.1602  235.070   11.736  241.814   11.354   41.824   1.0447   42.421   0.9965 -0.5969467 1.443744 
1 1 1   16   12    2 o   96.971   0.9056  1263.45   23.588  1247.87   33.241  1279.25   33.477   96.348   1.2845   97.553   1.2777 -1.204620 1.811735 
1 1 1   16   12    3 o  129.868   1.1136  2266.63   38.845  2279.36   55.227  2254.17   54.647  130.184   1.5794  129.463   1.5716 0.7205505 2.228103 
1 1 1   16   12    4 f   44.503   0.7248  266.055   8.6632  263.587   12.419  268.394   12.091   44.288   1.0440   44.691   1.0072 -0.4030266 1.450707 
1 1 1   16   12    5 o   75.894   0.9725  773.976   19.824  781.515   28.338  766.751   27.742   76.240   1.3839   75.518   1.3677 0.7225800 1.945700 
1 1 1   16   12    6 o  104.190   1.1663  1459.09   32.639  1482.87   46.514  1436.02   45.810  104.991   1.6495  103.319   1.6508 1.671997 2.333632 
1 1 1   16   12    7 o   65.497   0.7887  576.344   13.875  582.618   18.963  569.115   20.355   65.842   1.0723   65.070   1.1646 0.7718048 1.583090 
1 1 1   16   12    8 o   93.092   0.9250  1164.49   23.130  1154.25   31.247  1176.89   34.400   92.660   1.2555   93.555   1.3690 -0.8951187 1.857546 
1 1 1   16   12    9 o  116.629   1.0286  1828.06   32.221  1855.57   45.916  1801.38   45.226  117.461   1.4554  115.733   1.4549 1.728012 2.057895 
1 1 1   16   12   10 o   21.962   0.9433   64.818   5.5642   67.509   7.7105   61.893   8.0378   22.371   1.2887   21.407   1.4058 0.9637070 1.907070 
1 1 1   16   12   11 o   31.818   0.7834  136.019   6.6951  145.576   9.4678  126.461   9.4687   32.910   1.0711   30.672   1.1494 2.238697 1.571081 
1 1 1   16   12   12 o   83.608   0.8374  939.263   18.806  943.566   26.585  934.952   26.606   83.777   1.1815   83.393   1.1878 0.3837509 1.675356 
1 1 1   16   12   13 o   59.928   0.7405  482.521   11.919  495.926   16.937  469.370   16.775   60.742   1.0381   59.093   1.0569 1.649612 1.481501 
1 1 1   16   12   14 o  108.806   0.9819  1591.17   28.694  1587.43   40.425  1594.96   40.736  108.635   1.3854  108.892   1.3928 -0.2566147 1.964530 
1 1 1   16   12   15 o   47.724   0.7356  306.012   9.4296  295.063   12.907  318.547   13.810   46.852   1.0256   48.680   1.0562 -1.827457 1.472254 
1 1 1   16   12   16 o   96.928   1.0504  1262.96   27.346  1267.79   33.647  1253.57   46.932   97.089   1.2903   96.474   1.8112 0.6152115 2.223817 
1 1 1   16   12   17 o  103.669   0.9951  1444.62   27.709  1434.12   37.272  1457.59   41.429  103.252   1.3440  104.075   1.4821 -0.8226089 2.000715 
1 1 1   16   12   18 o   66.541   0.8490  595.037   15.173  607.236   19.569  576.648   24.026   67.205   1.0841   65.469   1.3663 1.736351 1.744166 
1 1 1   16   12   19 o   57.474   0.7869  443.894   12.148  447.321   16.239  439.540   18.305   57.682   1.0482   57.168   1.1921 0.5131950 1.587370 
1 1 1   16   12   20 o   13.648   1.6704   25.462   5.9956   25.257   8.0817   25.713   8.9414   13.488   2.3140   13.573   2.5461 -0.8475971E-01 3.440584 
1 1 1   16   12   21 o   10.926   2.0257   16.618   5.7259   16.652   8.0740   16.584   8.1215   10.880   2.7589   10.859   2.7743 0.2083206E-01 3.912623 
1 1 1   16   12   22 o   58.976   0.7603  467.422   12.044  469.714   16.943  465.080   17.123   59.100   1.0673   58.806   1.0841 0.2935104 1.521352 
1 1 1   16   12   23 o   93.834   0.9055  1183.72   22.822  1182.44   32.094  1185.02   32.459   93.735   1.2748   93.835   1.2879 -0.9984589E-01 1.812117 
1 1 1   16   12   24 o   29.980   0.8552  120.828   6.8863  122.229   9.2474  119.085   10.318   30.141   1.1423   29.743   1.2915 0.3977776 1.724205 
1 1 1   16   12   25 o   38.669   0.8899  201.058   9.2429  194.249   12.679  208.779   13.502   37.987   1.2427   39.379   1.2766 -1.392578 1.781570 
1 1 1   16   12   26 f   33.073   0.9842  147.140   8.7431  152.623   11.591  139.900   13.318   33.665   1.2818   32.212   1.5393 1.453354 2.003171 
1 1 1   16   12   27 o   19.447   1.2220   51.126   6.3504   49.202   8.2866   53.864   9.8848   19.025   1.6376   19.877   1.8736 -0.8519421 2.488457 
1 1 1   16   12   28 o   66.062   0.9015  587.036   15.995  591.689   21.510  581.279   23.924   66.281   1.2083   65.671   1.3563 0.6102905 1.816473 
1 1 1   16   12   29 o   79.003   0.8553  839.501   18.149  843.154   27.455  836.666   24.186   79.096   1.2923   78.822   1.1424 0.2745438 1.724903 
1 1 1   16   12   30 o  108.328   1.0060  1579.54   29.269  1587.65   44.894  1573.53   38.601  108.440   1.5414  108.030   1.3303 0.4101868 2.036067 
1 1 1   16   12   31 o   23.506   1.0088   74.379   6.3692   66.244   8.2550   86.344   10.012   22.115   1.3969   25.248   1.4829 -3.132502 2.037251 
1 1 1   16   12   32 o   20.227   1.2703   55.375   6.8661   39.892   9.2652   74.236   10.226   17.024   2.0687   23.378   1.6390 -6.353456 2.639293 
1 1 1   16   12   33 o   38.316   0.8306  197.512   8.5484  185.620   11.524  212.060   12.747   37.114   1.1561   39.664   1.1965 -2.550449 1.663746 
1 1 1   16   12   34 o   34.699   0.8577  162.014   7.9937  174.189   10.720  146.765   11.997   35.954   1.1101   32.976   1.3545 2.978348 1.751281 
1 1 1   16   12   35 o   66.163   0.8172  589.013   14.523  587.611   19.969  590.588   21.159   66.027   1.1260   66.179   1.1904 -0.1528091 1.638581 
1 1 1   16   12   36 o   14.755   1.5943   29.803   6.2180   29.284   7.4425   31.002   11.315   14.556   1.9529   14.749   2.9593 -0.1927595 3.545643 
1 1 1   16   12   37 o   36.974   0.9115  184.100   9.0522  190.610   11.395  172.966   14.903   37.594   1.1285   35.744   1.5523 1.849819 1.919147 
1 1 1   16   12   38 o   45.665   0.8846  280.840   10.849  284.091   13.287  274.334   18.795   45.897   1.0778   45.000   1.5550 0.8967972 1.891993 
1 1 1   16   12   39 f   28.560   0.9205  109.901   7.0613  111.482   8.5878  106.601   12.407   28.744   1.1124   27.979   1.6584 0.7646141 1.996917 
1 1 1   16   12   40 o   63.280   0.8113  539.189   13.790  535.563   17.606  544.945   22.181   63.014   1.0402   63.486   1.3008 -0.4722633 1.665582 
1 1 1   16   12   41 o   19.880   1.1694   53.553   6.2165   53.920   7.5234   52.764   11.037   19.907   1.4163   19.529   2.1392 0.3779163 2.565542 
1 1 1   16   12   42 o   16.914   1.4514   39.035   6.5297   36.113   8.1575   44.247   10.894   16.167   1.9159   17.809   2.3335 -1.641977 3.019252 
1 1 1   16   12   43 o   11.776   2.0413   19.466   6.2225   18.107   7.7788   21.882   10.369   11.233   2.6254   12.282   3.1332 -1.048707 4.087784 
1 1 1   16   12   44 o   36.957   0.9502  184.160   9.4319  188.584   13.153  179.476   13.533   37.332   1.3117   36.403   1.3841 0.9281998 1.906893 
1 1 1   16   12   45 o   13.279   1.9041   24.550   6.5966   23.189   8.4883   26.626   10.482   12.730   2.5712   13.558   2.9614 -0.8280497 3.921838 
1 1 1   16   12   46 f   24.862   1.3424   84.033   8.9307   96.549   11.011   59.972   15.267   26.602   1.5478   20.530   2.8450 6.071846 3.238787 
1 1 1   16   12   47 o   35.644   1.5449  173.062   14.790  195.527   20.201  147.110   21.713   37.656   2.0045   32.402   2.5145 5.254177 3.215755 
1 1 1   16   12   48 o   14.594   3.6301   32.331   14.171   32.097   18.208   32.690   22.566   14.359   4.3476   14.481   4.8888 -0.1220598 6.542327 
1 1 1   16   12   49 o   15.072   3.5386   34.693   14.079   53.700   21.850   21.198   18.411   18.264   4.4866   12.123   4.3918 6.141464 6.278320 
1 1 1   16   12   50 o   12.177   3.9687   22.924   14.903   31.450   29.224   19.927   17.324   14.084   5.4418   11.687   4.2562 2.396928 6.908549 
1 1 1   16   12   51 o   16.125   3.0922   39.347   12.905   65.557   18.116   12.342   18.388   20.721   3.3708   10.418   4.2220 10.30378 5.402560 
1 1 1   16   12   52 o   24.502   2.0420   85.118   13.316   60.931   18.733  109.825   18.933   19.570   3.6993   27.418   2.6021 -7.847862 4.522801 
1 1 1   16   13  -51 o   13.289   4.8657   30.600   22.686   0.0000   0.0000   30.600   22.686  ?   ?    13.289   4.8657 0.000000 4.865696 
1 1 1   16   13  -50 o   12.769   4.3210   26.490   17.629   0.0000   0.0000   26.490   17.629  ?   ?    12.769   4.3210 0.000000 4.320986 
1 1 1   16   13  -49 o   19.059   3.6976   56.337   18.246   0.0000   0.0000   56.337   18.246  ?   ?    19.059   3.6976 0.000000 3.697600 
1 1 1   16   13  -48 o   10.443   3.5161   15.726   11.673   14.623   16.598   16.805   16.418   10.751   4.1146   11.120   4.1275 -0.3692932 5.828069 
1 1 1   16   13  -47 o   27.176   1.9777  102.471   14.337   98.934   21.243  105.430   19.429   26.115   3.0883   27.204   2.6945 -1.088333 4.098524 
1 1 1   16   13  -46 o   12.938   3.2583   24.851   11.316   33.708   16.056   16.108   15.953   14.863   3.9531   11.123   4.0791 3.740375 5.680346 
1 1 1   16   13  -45 o   28.756   1.7448  113.302   13.413  116.770   18.492  109.451   19.484   28.943   2.4004   27.914   2.6298 1.029310 3.560571 
1 1 1   16   13  -44 o   25.385   1.5722   87.925   10.667   89.819   13.940   85.249   16.569   25.519   2.0511   24.687   2.5348 0.8318291 3.260756 
1 1 1   16   13  -43 o   11.308   2.8031   18.471   8.4713   21.395   11.619   15.153   12.377   12.120   3.4202   10.612   3.6204 1.507742 4.980494 
1 1 1   16   13  -42 o   21.100   1.6217   60.827   9.1206   63.185   12.700   58.315   13.107   21.344   2.2491   20.440   2.4353 0.9040489 3.315006 
1 1 1   16   13  -41 f   32.496   1.2863  142.835   11.227  156.522   15.839  129.014   15.916   33.873   1.7468   30.687   1.9410 3.185970 2.611284 
1 1 1   16   13  -40 o   18.367   2.2300   46.899   10.776   43.718   17.468   48.854   13.691   17.193   3.8753   18.566   2.8355 -1.372778 4.801832 
1 1 1   16   13  -39 o   38.191   1.2283  197.110   12.599  191.560   21.112  200.180   15.702   37.364   2.1123   38.423   1.5215 -1.058300 2.603218 
1 1 1   16   13  -38 o   48.801   0.9121  320.907   11.956  297.625   23.448  329.087   13.898   46.749   1.8674   49.393   1.0476 -2.643940 2.141175 
1 1 1   16   13  -37 o   19.588   1.5314   52.296   7.9927   59.647   15.542   49.653   9.3195   20.567   2.8934   19.019   1.8477 1.548750 3.433062 
1 1 1   16   13  -36 o   19.704   1.3008   52.679   6.8458   38.826   11.761   59.777   8.4189   16.582   2.7361   20.961   1.5054 -4.378176 3.122921 
1 1 1   16   13  -35 f   22.610   1.1684   69.146   7.0716   72.387   12.057   67.446   8.7309   22.988   1.9718   22.284   1.4669 0.7043495 2.457647 
1 1 1   16   13  -34 o   37.280   0.9217  187.130   9.2293  203.241   15.659  178.554   11.425   38.768   1.5038   36.387   1.1690 2.380943 1.904745 
1 1 1   16   13  -33 o   33.521   0.9856  151.330   8.8738  150.089   14.468  152.079   11.235   33.305   1.6174   33.576   1.2458 -0.2713242 2.041553 
1 1 1   16   13  -32 o   31.828   0.9153  136.356   7.8244  144.981   11.119  127.896   11.012   32.785   1.2627   30.786   1.3318 1.999775 1.835247 
1 1 1   16   13  -31 o   32.257   0.9366  140.057   8.1148  133.244   11.059  148.006   11.945   31.428   1.3100   33.120   1.3428 -1.691553 1.875948 
1 1 1   16   13  -30 o   43.854   0.9486  258.855   11.173  278.068   17.782  246.321   14.363   45.383   1.4588   42.744   1.2511 2.639202 1.921795 
1 1 1   16   13  -29 o   33.362   0.8998  149.766   8.0629  149.003   11.158  150.599   11.664   33.247   1.2495   33.420   1.2995 -0.1724396 1.802743 
1 1 1   16   13  -28 o   25.143   1.0270   85.105   6.9359   82.944   11.175   86.459   8.8460   24.714   1.6937   25.290   1.3067 -0.5762081 2.139200 
1 1 1   16   13  -27 o   43.913   1.1295  259.683   13.322  286.438   17.453  222.333   20.621   46.084   1.4100   40.532   1.8942 5.552662 2.361339 
1 1 1   16   13  -26 o   61.681   0.8445  511.673   13.990  507.619   17.555  518.731   23.162   61.410   1.0643   62.029   1.3902 -0.6184998 1.750827 
1 1 1   16   13  -25 o   47.331   0.8454  301.257   10.748  299.349   13.757  304.247   17.219   47.160   1.0861   47.516   1.3492 -0.3557129 1.731983 
1 1 1   16   13  -24 o   24.025   0.9455   77.635   6.1009   81.458   8.4350   73.440   8.8347   24.560   1.2832   23.301   1.4184 1.258530 1.912652 
1 1 1   16   13  -23 o   35.795   0.7686  172.237   7.3898  161.675   9.7820  186.279   11.279   34.666   1.0506   37.206   1.1286 -2.539299 1.541936 
1 1 1   16   13  -22 o   24.688   0.8927   81.951   5.9196   81.801   7.9100   82.142   8.9248   24.654   1.1945   24.662   1.3525 -0.7373810E-02 1.804494 
1 1 1   16   13  -21 o   52.335   0.8888  368.231   12.494  377.165   16.656  356.735   18.893   52.945   1.1713   51.474   1.3666 1.471344 1.799819 
1 1 1   16   13  -20 o   45.555   0.7634  278.911   9.3413  261.926   12.121  303.757   14.660   44.133   1.0225   47.519   1.1486 -3.385395 1.537787 
1 1 1   16   13  -19 o   29.520   0.8051  117.124   6.3839  111.955   8.5516  123.630   9.5945   28.852   1.1035   30.316   1.1783 -1.463926 1.614376 
1 1 1   16   13  -18 o   77.453   0.9403  806.445   19.561  817.573   33.962  800.921   23.929   77.908   1.6230   77.168   1.1545 0.7404556 1.991733 
1 1 1   16   13  -17 o   80.736   0.8661  876.083   18.782  868.491   27.814  882.446   25.464   80.345   1.2889   81.001   1.1704 -0.6557236 1.740999 
1 1 1   16   13  -16 o   48.932   0.7257  321.727   9.5376  329.070   13.367  314.110   13.613   49.475   1.0059   48.335   1.0486 1.139870 1.453035 
1 1 1   16   13  -15 o   62.080   0.7458  517.853   12.436  521.205   17.464  514.405   17.714   62.264   1.0443   61.855   1.0662 0.4088898 1.492403 
1 1 1   16   13  -14 o   35.421   0.8077  168.597   7.6841  161.008   11.266  175.200   10.508   34.601   1.2122   36.099   1.0837 -1.497929 1.626039 
1 1 1   16   13  -13 o   82.267   0.9577  909.676   21.162  942.946   28.997  871.765   30.953   83.729   1.2894   80.492   1.4317 3.236794 1.926744 
1 1 1   16   13  -12 o   45.022   0.7837  272.371   9.4775  271.727   12.195  273.352   15.061   44.961   1.0098   45.084   1.2437 -0.1234512 1.602075 
1 1 1   16   13  -11 o   72.445   0.8552  705.268   16.640  708.904   21.509  699.849   26.260   72.616   1.1028   72.131   1.3554 0.4850006 1.747411 
1 1 1   16   13  -10 o   76.933   0.8783  795.375   18.150  795.723   23.397  794.849   28.759   76.933   1.1323   76.869   1.3929 0.6391907E-01 1.795105 
1 1 1   16   13   -9 o  104.372   1.0435  1464.28   29.252  1425.70   37.241  1526.42   47.265  102.957   1.3467  106.491   1.6525 -3.534027 2.131739 
1 1 1   16   13   -8 o   71.034   0.8100  677.994   15.453  690.578   21.126  663.513   22.663   71.674   1.0974   70.249   1.2011 1.425339 1.626964 
1 1 1   16   13   -7 f   81.068   0.8214  883.075   17.885  906.627   25.576  860.538   25.019   82.120   1.1595   80.006   1.1643 2.114906 1.643190 
1 1 1   16   13   -6 o   37.560   0.7678  189.549   7.7456  184.059   10.662  195.684   11.271   37.004   1.0727   38.154   1.0999 -1.149776 1.536378 
1 1 1   16   13   -5 f   53.231   0.7220  380.678   10.323  373.155   14.627  388.146   14.572   52.691   1.0335   53.740   1.0096 -1.048954 1.444765 
1 1 1   16   13   -4 o   36.235   0.7445  176.402   7.2455  172.007   10.375  180.586   10.123   35.773   1.0798   36.655   1.0282 -0.8827362 1.491023 
1 1 1   16   13   -3 o   31.563   0.8074  133.853   6.8451  129.847   9.5796  138.033   9.7844   31.079   1.1476   32.044   1.1368 -0.9650593 1.615330 
1 1 1   16   13   -2 o   53.433   0.8836  383.649   12.681  391.759   18.265  376.102   17.619   53.979   1.2598   52.890   1.2402 1.088669 1.767860 
1 1 1   16   13   -1 o   55.939   0.7990  420.432   12.005  412.965   19.339  425.113   15.312   55.419   1.2992   56.242   1.0136 -0.8227386 1.647866 
1 1 1   16   13    0 o   88.366   0.8965  1049.27   21.278  1028.55   31.424  1066.80   28.914   87.458   1.3378   89.080   1.2085 -1.622246 1.802779 
1 1 1   16   13    1 o   31.308   0.7895  131.692   6.6391  127.581   9.6516  135.385   9.1470   30.807   1.1664   31.737   1.0730 -0.9305649 1.584925 
1 1 1   16   13    2 o   67.652   0.7980  614.928   14.501  617.407   19.812  612.068   21.282   67.774   1.0883   67.476   1.1743 0.2984695 1.601057 
1 1 1   16   13    3 o   25.453   0.8953   87.055   6.1207   79.354   9.2312   93.097   8.1765   24.248   1.4236   26.316   1.1568 -2.067783 1.834353 
1 1 1   16   13    4 o  114.097   1.1094  1749.90   33.999  1727.00   53.529  1765.38   44.018  113.269   1.7595  114.566   1.4305 -1.296768 2.267613 
1 1 1   16   13    5 f   90.207   0.9104  1093.49   22.059  1122.15   33.231  1070.91   29.494   91.346   1.3544   89.247   1.2304 2.098839 1.829878 
1 1 1   16   13    6 o   83.971   0.9159  947.557   20.658  941.275   29.034  953.998   29.399   83.665   1.2920   84.228   1.2995 -0.5629196 1.832493 
1 1 1   16   13    7 f  103.756   1.0407  1446.97   29.003  1446.07   37.414  1448.31   45.911  103.694   1.3433  103.737   1.6478 -0.4267883E-01 2.125948 
1 1 1   16   13    8 o   65.548   0.7896  577.308   13.901  591.269   19.058  561.433   20.322   66.322   1.0698   64.621   1.1708 1.700905 1.586006 
1 1 1   16   13    9 o   77.092   0.8428  798.614   17.451  794.027   23.569  804.179   25.962   76.851   1.1418   77.333   1.2499 -0.4814072 1.692970 
1 1 1   16   13   10 o   20.579   1.0605   57.082   5.8421   62.742   7.7503   49.634   8.8905   21.556   1.3453   19.120   1.7506 2.436068 2.207861 
1 1 1   16   13   11 o  108.501   1.0241  1582.44   29.844  1595.22   40.506  1567.27   44.141  108.896   1.3849  107.919   1.5228 0.9771881 2.058375 
1 1 1   16   13   12 o   57.127   0.8070  438.529   12.383  443.461   15.877  430.871   19.783   57.437   1.0292   56.599   1.3014 0.8374863 1.659143 
1 1 1   16   13   13 o   54.593   0.8118  400.504   11.904  402.151   15.185  397.879   19.175   54.695   1.0337   54.387   1.3126 0.3078003 1.670762 
1 1 1   16   13   14 o   86.478   0.9879  1005.27   22.947  1013.66   28.181  988.771   39.534   86.818   1.2085   85.684   1.7178 1.133698 2.100321 
1 1 1   16   13   15 o   48.514   0.7772  316.275   10.127  326.226   13.565  303.743   15.223   49.261   1.0252   47.524   1.1926 1.736553 1.572696 
1 1 1   16   13   16 o   50.110   0.8030  337.449   10.807  335.454   16.532  338.937   14.281   49.939   1.2325   50.208   1.0590 -0.2689056 1.624976 
1 1 1   16   13   17 o   85.639   0.8533  985.706   19.627  994.563   27.704  976.780   27.811   85.990   1.1995   85.216   1.2151 0.7739716 1.707406 
1 1 1   16   13   18 o   14.246   1.3865   27.573   5.2382   24.634   6.8970   31.578   8.0524   13.371   1.9803   15.166   2.0275 -1.795025 2.834171 
1 1 1   16   13   19 o   24.173   1.0473   78.576   6.7996   81.948   10.045   75.725   9.2379   24.621   1.5265   23.671   1.4601 0.9499817 2.112395 
1 1 1   16   13   20 o   77.075   0.8589  798.535   17.781  790.872   23.870  808.089   26.652   76.674   1.1591   77.490   1.2805 -0.8154678 1.727200 
1 1 1   16   13   21 o   40.342   0.8063  218.759   8.7371  223.841   11.643  212.208   13.219   40.795   1.0626   39.709   1.2394 1.085285 1.632524 
1 1 1   16   13   22 o   39.376   0.8221  208.429   8.6943  218.264   12.582  199.441   12.028   40.274   1.1631   38.498   1.1632 1.775723 1.644974 
1 1 1   16   13   23 o   88.798   0.9250  1060.39   22.062  1018.19   32.140  1097.98   30.338   86.941   1.3764   90.307   1.2508 -3.366447 1.859790 
1 1 1   16   13   24 o   37.821   0.8285  192.325   8.4165  196.534   11.093  186.615   12.920   38.216   1.0807   37.223   1.2923 0.9930725 1.684642 
1 1 1   16   13   25 o   49.668   0.8120  331.709   10.832  340.104   15.886  324.414   14.808   50.259   1.1768   49.091   1.1231 1.167271 1.626710 
1 1 1   16   13   26 o   57.660   0.8152  447.091   12.625  431.219   18.461  461.039   17.305   56.581   1.2147   58.520   1.1010 -1.939262 1.639433 
1 1 1   16   13   27 o   45.460   0.8912  278.010   10.882  288.759   14.727  265.085   16.150   46.300   1.1842   44.341   1.3561 1.959347 1.800380 
1 1 1   16   13   28 o   34.719   0.9831  162.236   9.1672  157.698   14.828  165.044   11.663   34.166   1.6159   34.995   1.2408 -0.8293800 2.037334 
1 1 1   16   13   29 o   46.250   0.9820  287.936   12.198  283.736   20.948  290.092   15.005   45.806   1.7027   46.396   1.2041 -0.5904312 2.085431 
1 1 1   16   13   30 o   56.477   0.9092  429.243   13.792  434.055   23.260  426.634   17.128   56.686   1.5277   56.273   1.1332 0.4132271 1.902151 
1 1 1   16   13   31 o   50.344   0.9239  341.130   12.493  340.873   21.009  341.271   15.538   50.222   1.5574   50.324   1.1496 -0.1013374 1.935755 
1 1 1   16   13   32 o   42.882   0.8059  247.394   9.2823  272.930   12.652  217.625   13.660   45.014   1.0465   40.167   1.2662 4.846367 1.642634 
1 1 1   16   13   33 o   17.289   1.2936   40.558   5.9637   36.443   7.3923   48.228   10.092   16.317   1.7123   18.731   2.0389 -2.414495 2.662544 
1 1 1   16   13   34 o   49.839   0.8301  334.288   11.112  323.044   14.309  351.366   17.635   48.956   1.0882   51.020   1.2869 -2.064034 1.685333 
1 1 1   16   13   35 f   7.3319   2.4503   6.9696   5.6684   14.923   6.7374 -12.2999   10.487   10.238   2.4770   5.5383   2.6262 4.699761 3.610048 
1 1 1   16   13   36 o   21.808   1.0431   64.119   6.1097   57.361   7.1361   82.678   11.825   20.565   1.2986   24.607   1.8017 -4.041544 2.220902 
1 1 1   16   13   37 o   9.4692   2.2312   12.751   5.5815   10.304   6.3214   21.404   11.889   8.5885   2.5530   12.179   3.4676 -3.590976 4.306087 
1 1 1   16   13   38 o   13.377   1.5572   24.584   5.4901   19.041   6.3957   40.105   10.703   11.629   2.1260   16.923   2.4239 -5.293880 3.224113 
1 1 1   16   13   39 o   11.773   1.7894   19.272   5.4799   20.130   6.5003   17.166   10.188   11.967   2.0989   10.961   3.2369 1.006053 3.857849 
1 1 1   16   13   40 o   22.695   1.0581   69.505   6.4500   71.022   7.9311   66.542   11.084   22.879   1.2960   22.014   1.8931 0.8648396 2.294177 
1 1 1   16   13   41 f   18.852   1.3240   48.322   6.6617   46.007   8.3761   52.308   10.990   18.314   1.7231   19.434   2.1410 -1.119738 2.748229 
1 1 1   16   13   42 o   27.211   1.1322  100.001   8.2749  101.717   11.450   98.123   11.973   27.330   1.5663   26.816   1.6706 0.5143070 2.289993 
1 1 1   16   13   43 o   7.0937   2.6922   5.1353   7.0687   11.445   10.078  -0.9741   9.9171   9.3985   3.2643   6.7565   2.9358 2.641999 4.390294 
1 1 1   16   13   44 o   14.335   1.9144   28.565   7.1867   22.054   9.4811   37.359   11.018   12.324   2.9107   16.221   2.6181 -3.896683 3.914936 
1 1 1   16   13   45 o   21.250   1.5532   61.761   8.8035   54.650   12.050   69.901   12.892   19.762   2.3141   22.431   2.1669 -2.669260 3.170274 
1 1 1   16   13   46 o   16.490   2.3425   38.435   10.084   21.294   16.602   48.456   12.693   12.195   4.1922   18.437   2.6385 -6.242050 4.953448 
1 1 1   16   13   47 o   24.135   2.1936   81.528   14.065   70.448   20.259   91.836   19.541   21.700   3.6022   25.239   2.9375 -3.538765 4.648137 
1 1 1   16   13   48 o   18.814   2.7090   51.243   13.294   43.517   18.754   59.047   18.849   16.526   4.2125   19.649   3.7074 -3.122749 5.611579 
1 1 1   16   13   49 o   16.904   3.3898   43.646   14.855   31.870   24.858   50.186   18.527   13.958   5.0960   17.777   3.9794 -3.818840 6.465678 
1 1 1   16   13   50 o   6.4607   3.1343 -23.4012   16.981 -32.0100   24.163 -15.0000   23.869   7.5893   3.6949   8.5660   4.0316 -0.9766617 5.468636 
1 1 1   16   13   51 o   16.199   4.2607   44.574   18.786   0.0000   0.0000   44.574   18.786  ?   ?    16.199   4.2607 0.000000 4.260723 
1 1 1   16   14  -50 o   10.928   4.5931   14.090   22.857   0.0000   0.0000   14.090   22.857  ?   ?    10.928   4.5931 0.000000 4.593073 
1 1 1   16   14  -49 o   7.0443   3.3382 -14.7283   16.891   0.0000   0.0000 -14.7283   16.891  ?   ?    7.0443   3.3382 0.000000 3.338243 
1 1 1   16   14  -48 o   18.883   3.6742   55.490   17.964   0.0000   0.0000   55.490   17.964  ?   ?    18.883   3.6742 0.000000 3.674165 
1 1 1   16   14  -47 o   24.827   2.0839   86.423   13.767   99.760   20.401   75.271   18.656   26.153   2.9562   22.552   3.1672 3.600935 4.332511 
1 1 1   16   14  -46 o   18.866   2.5876   50.998   12.767   53.211   18.139   48.826   17.972   18.684   3.7450   17.810   3.8676 0.8732758 5.383628 
1 1 1   16   14  -45 o   8.9865   3.3568   9.5282   10.894   0.9930   15.004   19.044   15.842   8.4426   3.6397   11.650   4.0900 -3.207647 5.475008 
1 1 1   16   14  -44 o   7.7870   3.2206   3.3260   10.975  -4.0777   14.788   12.405   16.376   7.7779   3.4727   10.553   4.0747 -2.775245 5.353776 
1 1 1   16   14  -43 o   26.857   1.9773   99.347   14.163  112.660   18.592   80.938   21.863   28.421   2.4597   23.568   3.5650 4.853065 4.331248 
1 1 1   16   14  -42 o   20.688   1.8546   58.879   10.196   51.830   12.931   70.464   16.578   19.186   2.5742   22.322   2.8286 -3.135759 3.824617 
1 1 1   16   14  -41 o   20.560   1.6909   57.890   9.2549   51.955   12.912   64.159   13.272   19.227   2.5643   21.471   2.3392 -2.244677 3.470951 
1 1 1   16   14  -40 o   24.756   1.1513   82.796   7.6550   68.175   13.864   89.209   9.1816   22.137   2.3684   25.636   1.3381 -3.499088 2.720269 
1 1 1   16   14  -39 o   17.592   1.6458   42.419   7.6861   52.792   16.538   39.562   8.6806   19.116   3.3427   16.915   1.9461 2.200850 3.867942 
1 1 1   16   14  -38 o   19.446   1.5147   51.594   7.8491   64.307   16.473   47.861   8.9277   21.299   2.9596   18.663   1.8035 2.636255 3.465813 
1 1 1   16   14  -37 o   36.018   1.0222  174.999   9.8887  181.308   19.990  172.955   11.378   36.364   2.0551   35.781   1.1840 0.5832214 2.371785 
1 1 1   16   14  -36 f   34.661   1.1297  162.177   10.517  158.880   19.168  163.596   12.580   34.029   2.1075   34.775   1.3469 -0.7460327 2.501140 
1 1 1   16   14  -35 o   47.352   0.8971  302.039   11.409  308.058   18.787  298.523   14.361   47.699   1.4664   47.032   1.1368 0.6675568 1.855477 
1 1 1   16   14  -34 o   22.329   1.0852   67.235   6.5081   57.112   9.0174   78.242   9.4024   20.458   1.6553   24.002   1.4655 -3.544470 2.210779 
1 1 1   16   14  -33 o   12.569   1.8597   21.906   6.0887   33.348   7.9341   5.5140   9.4962   15.545   1.9427   7.9115   3.0894 7.633794 3.649395 
1 1 1   16   14  -32 o   18.275   1.3647   45.358   6.6502   44.272   8.4823   47.091   10.713   17.983   1.7795   18.462   2.2040 -0.4788437 2.832706 
1 1 1   16   14  -31 o   41.521   1.0762  232.314   12.002  239.325   13.869  211.402   23.953   42.122   1.2259   39.314   2.2781 2.807411 2.587016 
1 1 1   16   14  -30 o   45.691   0.9974  281.148   12.241  282.029   14.951  279.357   21.319   45.732   1.2172   45.416   1.7477 0.3162346 2.129773 
1 1 1   16   14  -29 o   15.974   1.6667   34.887   7.0455   28.468   9.8585   41.589   10.073   14.202   2.6828   17.350   2.2117 -3.148634 3.476955 
1 1 1   16   14  -28 o   44.626   0.7796  267.862   9.3445  252.743   12.139  289.853   14.640   43.321   1.0432   46.375   1.1753 -3.054081 1.571542 
1 1 1   16   14  -27 o   51.454   0.8213  356.145   11.351  370.536   17.279  345.219   15.055   52.430   1.2270   50.624   1.1072 1.805435 1.652708 
1 1 1   16   14  -26 o   35.431   0.8566  168.881   8.1517  182.789   10.603  148.781   12.747   36.843   1.0715   33.205   1.4293 3.638428 1.786328 
1 1 1   16   14  -25 o   22.648   1.0722   69.062   6.5226   67.449   8.2820   71.697   10.584   22.320   1.3884   22.965   1.7286 -0.6452827 2.217135 
1 1 1   16   14  -24 o   19.732   1.2118   52.644   6.3911   48.391   7.8299   61.133   11.063   18.871   1.5588   21.160   1.9690 -2.289589 2.511331 
1 1 1   16   14  -23 f   67.941   0.8231  620.742   15.021  629.026   20.239  610.584   22.411   68.357   1.1023   67.326   1.2393 1.030754 1.658647 
1 1 1   16   14  -22 o   30.047   0.8272  121.399   6.6757  117.532   8.9737  126.192   9.9894   29.549   1.1307   30.612   1.2149 -1.063770 1.659665 
1 1 1   16   14  -21 o   51.015   0.8270  349.918   11.332  343.284   15.905  356.760   16.151   50.499   1.1726   51.482   1.1680 -0.9821281 1.655063 
1 1 1   16   14  -20 o  108.450   1.0867  1582.44   31.654  1568.26   44.543  1596.92   44.991  107.862   1.5375  108.842   1.5390 -0.9808044 2.175406 
1 1 1   16   14  -19 o   14.133   1.5470   27.236   5.7763   26.403   8.4045   27.981   7.9522   13.777   2.3560   14.230   2.1474 -0.4535780 3.187765 
1 1 1   16   14  -18 o   74.190   0.8024  739.842   15.989  752.449   22.679  727.383   22.545   74.787   1.1290   73.529   1.1416 1.257645 1.605581 
1 1 1   16   14  -17 o   27.375   0.9396  100.760   6.9086  108.369   10.082   94.024   9.4859   28.374   1.3229   26.395   1.3425 1.979385 1.884746 
1 1 1   16   14  -16 o   98.877   1.0160  1314.64   26.982  1301.27   42.367  1323.76   34.997   98.278   1.6050   99.176   1.3138 -0.8979187 2.074153 
1 1 1   16   14  -15 o   48.600   0.7722  317.425   10.080  319.529   14.913  315.654   13.678   48.741   1.1392   48.450   1.0511 0.2908936 1.549983 
1 1 1   16   14  -14 o   86.096   0.8547  996.302   19.766  991.271   27.826  1001.43   28.082   85.843   1.2069   86.281   1.2118 -0.4380569 1.710225 
1 1 1   16   14  -13 o   51.082   0.7309  350.637   10.028  366.328   14.136  334.739   14.229   52.199   1.0082   49.895   1.0617 2.304329 1.464192 
1 1 1   16   14  -12 o   41.986   0.7886  236.901   8.8935  223.451   11.350  258.292   14.314   40.767   1.0366   43.821   1.2161 -3.053852 1.597948 
1 1 1   16   14  -11 o   90.547   0.9547  1102.09   23.219  1098.94   30.001  1106.79   36.667   90.389   1.2357   90.677   1.5055 -0.2876205 1.947710 
1 1 1   16   14  -10 o   21.954   0.9513   64.784   5.6093   66.250   7.7498   63.170   8.1294   22.153   1.3083   21.621   1.4075 0.5319462 1.921642 
1 1 1   16   14   -9 o  101.434   0.9367  1382.93   25.521  1373.48   35.934  1392.54   36.251  101.043   1.3241  101.741   1.3266 -0.6981659 1.874285 
1 1 1   16   14   -8 o   29.124   0.8100  113.979   6.3361  110.450   8.9799  117.477   8.9414   28.659   1.1666   29.558   1.1262 -0.8989830 1.621518 
1 1 1   16   14   -7 o   22.453   0.9387   67.760   5.6611   69.090   8.1416   66.515   7.8769   22.622   1.3460   22.197   1.3273 0.4253025 1.890342 
1 1 1   16   14   -6 o   34.268   0.7685  157.787   7.0729  157.658   9.9695  157.917   10.036   34.244   1.0839   34.272   1.0902 -0.2785873E-01 1.537364 
1 1 1   16   14   -5 f   49.344   0.8302  327.194   11.003  317.659   13.527  345.848   18.919   48.611   1.0360   50.702   1.3892 -2.091045 1.732991 
1 1 1   16   14   -4 o   10.975   2.0808   16.775   5.9095   18.582   7.1818   12.986   10.399   11.521   2.3988   10.029   3.3176 1.491927 4.093971 
1 1 1   16   14   -3 o   84.315   0.9224  955.435   20.889  934.046   26.767  988.747   33.406   83.344   1.1958   85.723   1.4509 -2.379639 1.880126 
1 1 1   16   14   -2 o   59.666   0.8169  478.380   13.091  486.246   17.075  467.162   20.391   60.142   1.0570   58.936   1.2882 1.206337 1.666319 
1 1 1   16   14   -1 o   63.338   0.8699  539.115   14.798  538.666   20.051  539.653   21.930   63.293   1.1795   63.344   1.2890 -0.5030441E-01 1.747180 
1 1 1   16   14    0 o   53.866   0.9058  389.946   13.106  376.436   18.689  403.017   18.383   52.903   1.3153   54.743   1.2502 -1.840061 1.814680 
1 1 1   16   14    1 o   77.308   0.9889  803.328   20.534  794.825   29.035  811.839   29.046   76.864   1.4064   77.683   1.3921 -0.8197174 1.978828 
1 1 1   16   14    2 o   46.252   0.9025  287.507   11.212  298.311   16.254  277.699   15.487   47.096   1.2850   45.440   1.2689 1.655323 1.805888 
1 1 1   16   14    3 o   38.402   0.8825  198.184   9.1022  196.879   12.466  199.674   13.322   38.263   1.2130   38.531   1.2873 -0.2674561 1.768709 
1 1 1   16   14    4 o   20.015   1.1462   54.042   6.1362   49.690   8.0091   60.227   9.5484   19.150   1.5709   21.081   1.7008 -1.931152 2.315298 
1 1 1   16   14    5 f   29.571   0.9023  117.520   7.1664  121.153   9.3495  112.346   11.158   30.017   1.1597   28.896   1.4377 1.121111 1.847096 
1 1 1   16   14    6 o  105.436   1.1134  1494.64   31.530  1461.99   38.077  1565.88   56.237  104.248   1.3599  107.791   1.9424 -3.543816 2.371157 
1 1 1   16   14    7 o   47.496   0.8114  303.149   10.351  306.152   13.163  298.282   16.757   47.722   1.0269   47.089   1.3249 0.6330299 1.676318 
1 1 1   16   14    8 o   60.431   0.7781  490.724   12.629  487.764   17.045  494.326   18.806   60.234   1.0536   60.631   1.1548 -0.3972397 1.563166 
1 1 1   16   14    9 o   53.009   0.7611  377.579   10.837  380.690   14.716  373.893   16.017   53.214   1.0296   52.731   1.1309 0.4828415 1.529368 
1 1 1   16   14   10 o   27.488   0.8515  101.548   6.2864  103.132   8.7200   99.834   9.0711   27.693   1.1724   27.244   1.2396 0.4485092 1.706199 
1 1 1   16   14   11 o   53.835   0.7606  389.443   10.998  368.174   15.814  409.369   15.307   52.325   1.1252   55.181   1.0328 -2.855412 1.527328 
1 1 1   16   14   12 o   27.241   0.8847   99.736   6.4730  102.070   8.6187   96.716   9.8039   27.549   1.1648   26.775   1.3678 0.7743378 1.796575 
1 1 1   16   14   13 o   73.549   0.8658  727.063   17.104  726.875   22.122  727.341   26.971   73.519   1.1203   73.518   1.3659 0.9994507E-03 1.766532 
1 1 1   16   14   14 o   61.186   0.7822  503.118   12.855  482.997   18.488  521.946   17.885   59.926   1.1487   62.302   1.0688 -2.375656 1.568995 
1 1 1   16   14   15 o   82.009   0.8365  903.943   18.426  919.002   26.143  889.077   25.975   82.655   1.1776   81.297   1.1896 1.358238 1.673830 
1 1 1   16   14   16 o   37.798   0.7640  192.002   7.7563  194.560   10.650  189.112   11.319   38.037   1.0424   37.496   1.1239 0.5404434 1.532901 
1 1 1   16   14   17 o   34.565   0.8062  160.582   7.4841  152.144   10.437  169.514   10.738   33.629   1.1555   35.499   1.1262 -1.869354 1.613517 
1 1 1   16   14   18 o   13.628   1.5508   25.344   5.5754   35.351   7.7413   14.559   8.0364   16.086   1.8240   10.205   2.8321 5.880822 3.368643 
1 1 1   16   14   19 o   5.7765   2.2330   2.8954   4.9227   2.4562   6.2425   3.6178   8.0054   6.1719   2.4744   7.0886   2.8153 -0.9167285 3.748122 
1 1 1   16   14   20 o   32.026   0.8836  137.915   7.6006  132.674   9.9726  145.178   11.740   31.397   1.1826   32.833   1.3313 -1.436552 1.780676 
1 1 1   16   14   21 o   20.503   1.1915   56.779   6.5329   47.747   9.4480   65.055   9.0433   18.702   1.9075   21.911   1.5466 -3.208412 2.455726 
1 1 1   16   14   22 o   12.704   1.9965   22.351   6.5881   24.206   8.3667   19.325   10.688   13.146   2.4600   11.712   3.2716 1.434151 4.093318 
1 1 1   16   14   23 f   67.228   0.8350  607.794   15.077  614.408   22.486  602.391   20.323   67.537   1.2396   66.890   1.1312 0.6468506 1.678149 
1 1 1   16   14   24 o   63.196   0.8212  537.103   13.939  553.334   20.865  524.022   18.731   64.090   1.2121   62.384   1.1179 1.706291 1.648910 
1 1 1   16   14   25 o   53.347   0.7632  382.688   10.936  377.446   15.182  388.341   15.766   52.947   1.0676   53.703   1.0930 -0.7554779 1.527898 
1 1 1   16   14   26 o   42.968   0.8902  248.401   10.274  260.055   13.787  233.849   15.407   43.934   1.1684   41.636   1.3777 2.298550 1.806396 
1 1 1   16   14   27 o   40.679   0.8101  222.596   8.8513  217.066   12.313  228.508   12.733   40.139   1.1421   41.182   1.1511 -1.043259 1.621568 
1 1 1   16   14   28 o   18.677   1.2009   47.212   5.9922   55.876   7.8784   35.322   9.2296   20.291   1.4552   15.972   2.2107 4.318950 2.646691 
1 1 1   16   14   29 o   32.913   0.8997  145.793   7.9532  141.151   10.644  151.661   11.967   32.355   1.2248   33.526   1.3290 -1.171143 1.807274 
1 1 1   16   14   30 o   30.814   1.0142  127.880   8.3942  144.460   11.521  109.122   12.255   32.719   1.3110   28.357   1.6157 4.362204 2.080682 
1 1 1   16   14   31 o   26.964   1.0015   97.930   7.2532   98.279   9.9663   97.538   10.576   26.942   1.3819   26.825   1.4735 0.1169739 2.020136 
1 1 1   16   14   32 o   13.152   1.7953   23.883   6.1764   30.273   7.7343   12.635   10.261   14.794   1.9976   9.8049   3.2967 4.988932 3.854685 
1 1 1   16   14   33 o   6.8465   2.4725   5.4032   5.8288   7.1510   7.1853   2.0395   9.9680   7.7268   2.7503   7.3437   3.0558 0.3831053 4.111218 
1 1 1   16   14   34 o   30.265   0.9157  123.379   7.4433  135.647   9.6246  105.123   11.741   31.710   1.1300   27.812   1.5783 3.897846 1.941113 
1 1 1   16   14   35 o   50.583   0.7973  344.453   10.833  352.774   14.590  334.228   16.172   51.143   1.0621   49.748   1.2103 1.394299 1.610262 
1 1 1   16   14   36 f   11.071   2.2660   17.385   6.5111   19.709   7.7241   11.680   12.103   11.750   2.5228   9.8195   3.5602 1.930710 4.363475 
1 1 1   16   14   37 o   35.092   0.8899  165.937   8.3879  171.006   10.892  158.550   13.149   35.586   1.1395   34.212   1.4310 1.374584 1.829287 
1 1 1   16   14   38 o   18.483   1.2783   46.424   6.3071   46.424   7.7880   46.424   10.751   18.425   1.5893   18.266   2.2382 0.1587315 2.745023 
1 1 1   16   14   39 o   33.723   0.8550  153.222   7.7446  169.311   9.7580  125.838   12.731   35.424   1.0256   30.406   1.5641 5.017452 1.870369 
1 1 1   16   14   40 o   40.457   0.8834  220.586   9.5995  214.473   13.075  227.735   14.139   39.829   1.2222   41.028   1.2831 -1.199001 1.772019 
1 1 1   16   14   41 o   38.302   0.8851  197.724   9.1050  213.827   12.205  177.517   13.672   39.783   1.1422   36.193   1.4065 3.590595 1.811855 
1 1 1   16   14   42 o   46.889   0.8281  296.245   10.429  304.471   13.864  285.524   15.827   47.479   1.0872   45.927   1.2831 1.552361 1.681725 
1 1 1   16   14   43 o   40.447   0.8844  220.601   9.6081  224.714   13.265  216.062   13.936   40.750   1.2120   39.935   1.2992 0.8149223 1.776755 
1 1 1   16   14   44 o   22.907   1.9060   72.416   11.621   92.080   17.728   57.600   15.388   25.564   2.6188   20.031   2.9482 5.533173 3.943373 
1 1 1   16   14   45 o   17.280   2.7557   42.977   12.360   31.581   15.961   60.048   19.535   14.352   3.9941   19.974   3.7798 -5.622732 5.499063 
1 1 1   16   14   46 o   20.517   2.4749   59.878   13.363   65.904   18.697   53.584   19.107   21.035   3.4274   18.638   3.9401 2.397457 5.222190 
1 1 1   16   14   47 o   6.5907   3.0287  -6.9327   12.270  -8.1483   17.959  -5.8683   16.805   8.0063   3.6736   7.9536   3.6127 0.5265284E-01 5.152398 
1 1 1   16   14   48 o   12.603   3.4926   24.714   12.231   45.338   17.755   6.0871   16.874   16.819   3.9904   9.3322   3.9355 7.487092 5.604622 
1 1 1   16   14   49 o   21.649   4.9915   82.400   28.430   0.0000   0.0000   82.400   28.430  ?   ?    21.649   4.9915 0.000000 4.991540 
1 1 1   16   14   50 o   10.828   4.6267   12.340   23.848   0.0000   0.0000   12.340   23.848  ?   ?    10.828   4.6267 0.000000 4.626728 
1 1 1   16   15  -49 o   15.150   5.1487   43.940   25.031   0.0000   0.0000   43.940   25.031  ?   ?    15.150   5.1487 0.000000 5.148667 
1 1 1   16   15  -48 o   8.5454   3.7773   0.6634   17.058   0.0000   0.0000   0.6634   17.058  ?   ?    8.5454   3.7773 0.000000 3.777265 
1 1 1   16   15  -47 o   21.238   3.4808   69.312   19.167   0.0000   0.0000   69.312   19.167  ?   ?    21.238   3.4808 0.000000 3.480808 
1 1 1   16   15  -46 o   24.548   2.1216   84.824   13.851   70.068   19.692   99.271   19.486   21.448   3.5420   26.130   2.8213 -4.681639 4.528288 
1 1 1   16   15  -45 o   13.689   3.3619   28.434   12.271   30.737   17.616   26.263   17.102   13.949   4.2870   13.027   4.2518 0.9224148 6.037846 
1 1 1   16   15  -44 o   12.915   3.3156   25.006   11.560   27.804   16.163   22.075   16.540   13.460   4.1008   12.266   4.1852 1.194563 5.859401 
1 1 1   16   15  -43 o   16.470   2.6898   38.901   11.488   45.309   16.313   32.596   16.181   17.414   3.6063   14.615   4.0039 2.799537 5.388575 
1 1 1   16   15  -42 o   27.305   1.9725  102.788   14.369  123.128   18.946   75.247   22.046   29.722   2.3935   22.561   3.7712 7.161608 4.466665 
1 1 1   16   15  -41 o   58.837   0.9598  467.097   15.168  460.286   23.913  471.683   19.620   58.196   1.5299   59.033   1.2374 -0.8373184 1.967644 
1 1 1   16   15  -40 o   33.301   1.0205  149.677   9.1276  144.637   15.693  152.253   11.221   32.514   1.8040   33.545   1.2454 -1.030342 2.192165 
1 1 1   16   15  -39 o   44.316   0.9293  264.813   11.062  273.636   18.754  260.105   13.699   44.885   1.5556   43.870   1.1626 1.014744 1.942014 
1 1 1   16   15  -38 o   23.188   1.3906   73.117   8.6211   72.137   18.294   73.397   9.7744   22.491   3.1118   23.192   1.5786 -0.7008781 3.489270 
1 1 1   16   15  -37 o   9.4465   2.6257   12.737   6.9021   8.6560   10.963   15.417   8.8836   8.9054   3.3593   10.378   3.0106 -1.473009 4.510989 
1 1 1   16   15  -36 o   34.070   1.0662  156.684   9.7564  153.330   19.276  157.839   11.312   33.376   2.1619   34.167   1.2327 -0.7905617 2.488648 
1 1 1   16   15  -35 o   36.837   0.9594  182.954   9.4923  199.752   14.883  171.437   12.324   38.395   1.4432   35.602   1.2888 2.793007 1.934951 
1 1 1   16   15  -34 o   34.500   1.0881  160.618   10.083  161.023   13.571  160.120   15.066   34.475   1.4655   34.342   1.6333 0.1331062 2.194436 
1 1 1   16   15  -33 o   7.5349   2.5924   7.1854   6.3493   2.2035   7.6328   18.377   11.440   6.5770   2.6992   11.373   3.4468 -4.795755 4.377944 
1 1 1   16   15  -32 f   21.339   1.3161   61.763   7.5062   58.862   9.3442   67.039   12.603   20.763   1.6902   22.060   2.1546 -1.297005 2.738500 
1 1 1   16   15  -31 o   43.017   1.0027  249.349   11.585  254.274   16.396  244.440   16.371   43.369   1.4076   42.517   1.4336 0.8521385 2.009059 
1 1 1   16   15  -30 o   13.438   1.1848   24.547   4.2329   22.837   4.7415   31.261   9.3940   12.928   1.3872   14.938   2.4245 -2.009899 2.793268 
1 1 1   16   15  -29 o   36.820   0.8725  182.489   8.6288  185.191   10.536  176.986   15.037   37.072   1.0581   36.172   1.5478 0.8998375 1.874886 
1 1 1   16   15  -28 o   39.113   0.8929  205.924   9.3808  207.399   13.057  204.351   13.486   39.211   1.2398   38.915   1.2903 0.2963409 1.789367 
1 1 1   16   15  -27 o   36.980   0.7980  183.972   7.9262  189.892   10.707  176.794   11.789   37.545   1.0618   36.209   1.2122 1.335110 1.611479 
1 1 1   16   15  -26 o   39.731   0.8593  212.414   9.1696  229.784   11.587  183.309   14.999   41.304   1.0444   36.832   1.5161 4.472027 1.841074 
1 1 1   16   15  -25 o   34.073   1.0371  156.347   9.4910  165.570   13.139  146.283   13.725   35.025   1.3967   32.902   1.5530 2.122604 2.088718 
1 1 1   16   15  -24 o   47.729   0.8756  306.510   11.225  308.607   15.406  304.137   16.388   47.852   1.1986   47.492   1.2847 0.3603134 1.757040 
1 1 1   16   15  -23 o   46.465   0.9291  290.531   11.595  294.439   18.350  287.934   14.961   46.707   1.4627   46.225   1.2050 0.4816628 1.895174 
1 1 1   16   15  -22 o   16.496   1.3161   36.915   5.7828   43.032   8.0031   30.232   8.3651   17.764   1.6980   14.774   2.1730 2.990245 2.757772 
1 1 1   16   15  -21 o   52.911   0.7527  376.419   10.697  372.491   14.996  380.487   15.264   52.603   1.0614   53.164   1.0689 -0.5606995 1.506393 
1 1 1   16   15  -20 o   57.050   0.7570  437.591   11.600  444.797   16.345  430.280   16.465   57.487   1.0586   56.538   1.0842 0.9490013 1.515303 
1 1 1   16   15  -19 o   38.274   0.7771  196.954   7.9888  210.048   11.105  182.908   11.501   39.508   1.0465   36.859   1.1618 2.649395 1.563592 
1 1 1   16   15  -18 o   74.645   0.8964  749.321   17.971  732.996   28.495  760.103   23.157   73.746   1.4386   75.146   1.1473 -1.400291 1.840091 
1 1 1   16   15  -17 o   9.9870   2.2322   14.031   5.8371   8.3808   7.8603   20.978   8.7156   8.2849   2.8825   12.189   2.7300 -3.904120 3.970118 
1 1 1   16   15  -16 o   28.610   0.9277  110.074   7.1289  108.624   10.229  111.443   9.9408   28.401   1.3409   28.770   1.2864 -0.3693562 1.858227 
1 1 1   16   15  -15 o   50.086   0.7725  337.194   10.392  326.711   14.954  346.986   14.453   49.277   1.1298   50.789   1.0595 -1.511658 1.548841 
1 1 1   16   15  -14 o   49.001   0.7636  322.719   10.051  308.531   14.463  335.968   13.977   47.889   1.1244   49.979   1.0412 -2.090221 1.532440 
1 1 1   16   15  -13 o   20.137   1.0350   54.676   5.5789   53.392   7.4179   56.348   8.4649   19.865   1.3993   20.392   1.5573 -0.5273361 2.093580 
1 1 1   16   15  -12 o   33.547   0.7871  151.252   7.0920  159.594   9.9592  142.670   10.102   34.447   1.0764   32.566   1.1549 1.881313 1.578724 
1 1 1   16   15  -11 o   5.1842   2.1567   0.7756   4.9635   3.6621   6.3052  -3.9279   8.0487   6.5230   2.5256   5.6457   2.5383 0.8772831 3.580736 
1 1 1   16   15  -10 o   34.995   0.8313  164.599   7.8138  165.407   10.084  163.385   12.361   35.071   1.0705   34.843   1.3208 0.2274742 1.700160 
1 1 1   16   15   -9 f   32.946   0.7852  145.872   6.9486  151.488   9.7335  140.036   9.9227   33.563   1.0797   32.267   1.1449 1.296322 1.573754 
1 1 1   16   15   -8 o   28.096   0.9103  106.113   6.8698  101.357   9.8526  110.614   9.5838   27.444   1.3366   28.674   1.2444 -1.229757 1.826213 
1 1 1   16   15   -7 o   82.063   0.8667  905.145   19.103  907.698   25.936  902.117   28.243   82.149   1.1754   81.884   1.2841 0.2651672 1.740883 
1 1 1   16   15   -6 o   10.840   1.9291   16.318   5.4110   10.540   7.1758   23.934   8.2384   8.8424   2.7392   13.101   2.4307 -4.259010 3.662142 
1 1 1   16   15   -5 o   22.004   0.9769   65.088   5.7734   73.084   8.3665   57.819   7.9769   23.267   1.3445   20.676   1.4455 2.591078 1.974168 
1 1 1   16   15   -4 o   63.224   0.7553  537.139   12.826  539.195   18.297  535.152   17.986   63.325   1.0757   63.088   1.0614 0.2368660 1.511244 
1 1 1   16   15   -3 f   24.272   0.9172   79.191   5.9793   88.184   8.8336   71.588   8.1230   25.570   1.2904   23.029   1.3187 2.540602 1.845028 
1 1 1   16   15   -2 o   18.906   1.0687   48.215   5.4048   46.897   7.9267   49.360   7.3888   18.594   1.6029   19.095   1.4515 -0.5019379 2.162423 
1 1 1   16   15   -1 o   39.206   0.7742  206.554   8.1526  207.605   12.360  205.745   10.846   39.289   1.1713   39.119   1.0323 0.1701736 1.561265 
1 1 1   16   15    0 o   32.925   0.8631  145.702   7.6324  137.445   12.608  150.478   9.5890   31.955   1.4690   33.454   1.0672 -1.498632 1.815692 
1 1 1   16   15    1 o   98.450   1.0663  1303.21   28.197  1271.54   48.702  1319.18   34.582   97.126   1.8669   99.023   1.3003 -1.896133 2.275065 
1 1 1   16   15    2 o   76.186   0.8819  780.142   18.045  754.084   28.408  797.768   23.365   74.855   1.4130   77.022   1.1294 -2.166946 1.808891 
1 1 1   16   15    3 f   77.119   0.8078  799.260   16.733  785.303   23.530  813.539   23.801   76.416   1.1464   77.778   1.1393 -1.362320 1.616269 
1 1 1   16   15    4 o  133.317   1.1404  2390.23   40.836  2373.26   57.522  2407.48   57.982  132.750   1.6133  133.704   1.6146 -0.9530640 2.282424 
1 1 1   16   15    5 o   31.743   0.8025  135.417   6.8423  140.415   9.9265  130.892   9.4443   32.312   1.1438   31.198   1.1271 1.114357 1.605768 
1 1 1   16   15    6 o   40.804   0.7413  223.738   8.1248  225.885   11.603  221.673   11.381   40.987   1.0539   40.604   1.0436 0.3834801 1.483191 
1 1 1   16   15    7 o   30.630   0.8651  126.100   7.1175  117.352   9.4067  137.817   10.886   29.537   1.1857   32.006   1.2663 -2.468559 1.734769 
1 1 1   16   15    8 o   64.295   0.7952  555.556   13.733  537.568   18.284  578.838   20.801   63.226   1.0766   65.600   1.1806 -2.373322 1.597782 
1 1 1   16   15    9 f   13.509   1.4832   24.866   5.2934   33.651   7.1404   14.148   7.8871   15.709   1.7204   10.074   2.8092 5.635837 3.294146 
1 1 1   16   15   10 o   48.089   0.7638  310.789   9.8655  317.617   13.393  302.689   14.587   48.601   1.0260   47.438   1.1449 1.163246 1.537328 
1 1 1   16   15   11 o   39.420   0.8093  208.855   8.5692  207.706   11.124  210.533   13.440   39.300   1.0538   39.555   1.2650 -0.2545891 1.646435 
1 1 1   16   15   12 o   36.357   0.7710  177.650   7.5292  173.262   10.468  182.353   10.837   35.892   1.0859   36.821   1.0958 -0.9290733 1.542711 
1 1 1   16   15   13 o   54.984   0.7424  406.306   10.964  386.485   15.162  428.027   15.873   53.606   1.0531   56.414   1.0475 -2.807915 1.485352 
1 1 1   16   15   14 o   36.886   0.8038  182.884   7.9632  181.362   11.348  184.361   11.178   36.715   1.1507   37.019   1.1242 -0.3038712 1.608697 
1 1 1   16   15   15 o   44.545   0.7772  266.711   9.2986  268.905   13.408  264.679   12.907   44.707   1.1166   44.357   1.0833 0.3503838 1.555779 
1 1 1   16   15   16 o   76.085   0.8894  778.372   18.176  797.176   28.594  765.624   23.544   76.932   1.3838   75.427   1.1622 1.505241 1.807072 
1 1 1   16   15   17 o   67.947   0.7828  620.626   14.285  626.003   20.078  615.114   20.329   68.207   1.0960   67.609   1.1195 0.5986633 1.566652 
1 1 1   16   15   18 o   41.313   0.8508  229.504   9.4409  232.547   13.242  226.357   13.464   41.562   1.1862   41.002   1.2226 0.5600204 1.703470 
1 1 1   16   15   19 o   77.904   0.8706  816.185   18.216  825.948   27.172  808.216   24.549   78.302   1.2920   77.477   1.1797 0.8251953 1.749531 
1 1 1   16   15   20 o   26.892   0.9111   97.277   6.5806   98.116   8.8100   96.218   9.8973   26.990   1.2153   26.681   1.3859 0.3095798 1.843256 
1 1 1   16   15   21 o   26.136   1.0566   91.954   7.4174   91.422   10.024   92.597   11.027   25.995   1.4413   26.143   1.5778 -0.1480598 2.137038 
1 1 1   16   15   22 o   32.340   0.9639  140.748   8.3729  150.614   13.263  134.211   10.796   33.408   1.4781   31.556   1.2738 1.851910 1.951240 
1 1 1   16   15   23 o   76.016   0.9420  777.630   19.232  762.555   28.078  790.956   26.398   75.183   1.3904   76.596   1.2831 -1.412979 1.892003 
1 1 1   16   15   24 o   37.357   0.8728  187.768   8.7575  190.221   11.409  184.251   13.663   37.576   1.1304   36.954   1.3766 0.6224518 1.781252 
1 1 1   16   15   25 o   26.869   0.9368   97.173   6.7604  103.184   9.0354   89.529   10.189   27.666   1.2159   25.705   1.4821 1.961262 1.917077 
1 1 1   16   15   26 o   19.170   1.1652   49.711   5.9711   54.852   7.7699   42.294   9.3317   20.102   1.4488   17.539   2.0176 2.562880 2.483875 
1 1 1   16   15   27 o   17.076   1.2550   39.540   5.7159   33.801   7.2715   48.821   9.2470   15.703   1.7540   18.890   1.8461 -3.187317 2.546507 
1 1 1   16   15   28 o   18.829   1.2659   48.046   6.3650   49.449   8.6090   46.355   9.4529   19.036   1.7018   18.380   1.9444 0.6558094 2.583902 
1 1 1   16   15   29 o   30.705   0.9194  126.932   7.5826  134.037   9.8027  116.348   11.964   31.529   1.1576   29.292   1.5260 2.236397 1.915338 
1 1 1   16   15   30 o   50.588   0.8191  344.415   11.129  356.442   14.725  328.391   16.997   51.426   1.0660   49.321   1.2830 2.104774 1.668129 
1 1 1   16   15   31 o   20.163   1.2115   55.064   6.5307   62.671   8.5083   44.154   10.189   21.473   1.4843   17.867   2.1675 3.605774 2.627060 
1 1 1   16   15   32 f   21.993   1.2133   65.495   7.1392   64.350   8.8596   67.616   12.056   21.747   1.5265   22.182   2.0465 -0.4353714 2.553116 
1 1 1   16   15   33 o   37.606   0.8767  190.487   8.8551  208.890   12.021  168.654   13.094   39.341   1.1376   35.308   1.3807 4.032757 1.788984 
1 1 1   16   15   34 o   36.119   0.8895  175.768   8.6297  176.226   11.305  175.128   13.359   36.124   1.1652   35.971   1.3827 0.1533546 1.808160 
1 1 1   16   15   35 o   33.512   0.9188  151.373   8.2703  149.218   9.8443  156.543   15.247   33.246   1.1024   33.937   1.6727 -0.6910934 2.003342 
1 1 1   16   15   36 o   29.276   0.9121  115.533   7.1724  115.186   8.6957  116.271   12.686   29.206   1.1085   29.208   1.6234 -0.2202988E-02 1.965789 
1 1 1   16   15   37 o   19.962   1.4472   54.304   7.7067   57.395   12.199   52.251   9.9420   20.316   2.2746   19.470   1.9265 0.8462467 2.980824 
1 1 1   16   15   38 o   9.4457   2.9367   12.474   8.2395  -2.9472   14.663   19.591   9.9609   7.9383   3.5058   11.615   3.1246 -3.676452 4.696189 
1 1 1   16   15   39 o   34.204   1.0722  157.961   9.8499  143.995   16.013  166.461   12.493   32.436   1.8457   35.062   1.3266 -2.625832 2.272973 
1 1 1   16   15   40 o   12.708   2.3908   22.961   7.8609   27.663   12.698   20.039   10.009   13.704   3.4517   11.733   3.1216 1.971332 4.653868 
1 1 1   16   15   41 o   68.554   0.9580  634.119   17.639  646.787   28.564  626.312   22.426   68.979   1.5417   68.029   1.2273 0.9503403 1.970612 
1 1 1   16   15   42 o   7.3053   3.0392   2.4327   9.8567   6.6698   15.072  -0.7339   13.029   9.3674   3.8127   7.7293   3.3619 1.638132 5.083206 
1 1 1   16   15   43 o   16.999   2.8066   41.599   12.367   42.639   15.865   39.989   19.744   16.881   3.6085   16.023   4.4362 0.8572693 5.718490 
1 1 1   16   15   44 o   8.8023   3.3618   8.6347   11.065   14.835   15.278   1.7928   16.048   10.728   3.9816   8.7717   3.7730 1.956192 5.485322 
1 1 1   16   15   45 o   29.530   1.8593  120.809   14.672  116.313   20.966  125.123   20.538   28.446   2.7797   29.626   2.6077 -1.179901 3.811384 
1 1 1   16   15   46 o   10.694   3.6284   16.799   12.431   18.531   17.267   14.934   17.911   11.426   4.2344   10.879   4.2443 0.5467739 5.995361 
1 1 1   16   15   47 o   17.175   3.3345   45.257   14.827   44.370   26.265   45.672   17.963   15.713   5.2744   16.791   4.0335 -1.078444 6.639904 
1 1 1   16   15   48 o   23.595   3.0582   83.913   18.925   0.0000   0.0000   83.913   18.925  ?   ?    23.595   3.0582 0.000000 3.058179 
1 1 1   16   15   49 o   14.055   5.1051   36.990   24.902   0.0000   0.0000   36.990   24.902  ?   ?    14.055   5.1051 0.000000 5.105145 
1 1 1   16   16    0 o   44.667   1.1452  268.161   13.739  289.869   22.833  255.841   17.201   46.410   1.8317   43.617   1.4682 2.792454 2.347546 
1 1 1   16   16    1 o   19.374   1.1427   50.668   5.9202   45.908   9.3413   53.863   7.6535   18.347   1.9243   19.949   1.4380 -1.602680 2.402252 
1 1 1   16   16    2 o   83.790   0.8853  943.792   19.924  949.023   29.860  939.594   26.750   83.969   1.3239   83.569   1.1918 0.4004517 1.781322 
1 1 1   16   16    3 o   22.564   1.0384   68.469   6.2932   64.075   9.7268   71.633   8.2534   21.739   1.6788   23.030   1.3401 -1.290466 2.148083 
1 1 1   16   16    4 o   73.628   0.7985  728.640   15.791  726.183   22.377  731.078   22.288   73.473   1.1339   73.721   1.1256 -0.2480545 1.597724 
1 1 1   16   16    5 o   12.524   1.5753   21.463   5.1816   21.637   7.4405   21.300   7.2203   12.454   2.3094   12.363   2.2577 0.9129524E-01 3.229592 
1 1 1   16   16    6 o   18.493   1.1168   46.170   5.5212   36.429   7.8662   55.630   7.7515   16.333   1.8242   20.275   1.4327 -3.941328 2.319568 
1 1 1   16   16    7 o   35.915   0.7720  173.370   7.4467  185.697   10.591  161.321   10.472   37.157   1.0613   34.629   1.1259 2.527863 1.547233 
1 1 1   16   16    8 o   50.723   0.7820  345.815   10.654  356.040   14.382  333.380   15.860   51.450   1.0407   49.775   1.1863 1.675503 1.578080 
1 1 1   16   16    9 o   64.551   0.9306  560.289   16.134  554.139   18.614  578.868   32.354   64.182   1.0798   65.494   1.8392 -1.312279 2.132748 
1 1 1   16   16   10 o   49.085   0.7767  323.853   10.239  329.948   13.923  316.674   15.111   49.527   1.0467   48.511   1.1597 1.015430 1.562215 
1 1 1   16   16   11 o   49.604   0.7484  330.720   9.9705  327.497   13.934  334.101   14.273   49.341   1.0515   49.834   1.0663 -0.4937897 1.497525 
1 1 1   16   16   12 o   38.519   0.7714  199.446   7.9806  215.441   11.350  183.803   11.224   40.017   1.0559   36.957   1.1307 3.059643 1.547099 
1 1 1   16   16   13 o   45.760   0.7471  281.469   9.1818  269.933   12.679  294.192   13.315   44.791   1.0539   46.760   1.0601 -1.968925 1.494834 
1 1 1   16   16   14 o   52.590   0.8192  371.857   11.571  367.142   17.726  375.359   15.274   52.213   1.2640   52.814   1.0768 -0.6013374 1.660439 
1 1 1   16   16   15 o   27.638   0.9400  102.753   6.9782   92.392   9.7268  113.741   10.017   26.146   1.3901   29.058   1.2834 -2.912073 1.891967 
1 1 1   16   16   16 o   76.083   0.9003  778.616   18.399  750.282   28.517  798.821   24.081   74.597   1.4233   77.023   1.1640 -2.425446 1.838666 
1 1 1   16   16   17 o   37.513   0.8169  189.240   8.2309  176.933   10.681  207.232   12.915   36.252   1.0970   39.222   1.2259 -2.969372 1.645076 
1 1 1   16   16   18 o   32.086   0.8705  138.491   7.5023  131.969   10.661  144.887   10.559   31.293   1.2684   32.795   1.1988 -1.501934 1.745262 
1 1 1   16   16   19 o   35.088   0.9153  165.661   8.6262  156.152   11.753  176.766   12.701   34.035   1.2857   36.210   1.3059 -2.174740 1.832569 
1 1 1   16   16   20 o   42.096   0.9004  238.449   10.181  240.545   16.833  237.239   12.785   42.211   1.4847   41.966   1.1343 0.2451057 1.868384 
1 1 1   16   16   21 o  107.639   1.0311  1560.11   29.810  1563.44   43.956  1557.27   40.563  107.585   1.5212  107.418   1.4059 0.1675568 2.071346 
1 1 1   16   16   22 o   26.206   0.9316   92.435   6.5569   87.469   8.6726   99.060   10.018   25.467   1.2679   27.057   1.3831 -1.589329 1.876303 
1 1 1   16   16   23 o   71.536   0.8764  688.670   16.838  681.948   21.723  698.790   26.652   71.135   1.1369   71.949   1.3792 -0.8138046 1.787372 
1 1 1   16   16   24 o   5.5330   2.2399   1.7887   5.1697   3.9060   6.7194  -1.2825   8.0927   6.6980   2.6034   6.0776   2.6465 0.6203871 3.712342 
1 1 1   16   16   25 o   29.725   0.8919  118.934   7.1207  131.741   9.5419  102.837   10.697   31.262   1.1364   27.551   1.4507 3.711372 1.842820 
1 1 1   16   16   26 o   19.511   1.1894   51.531   6.2035   49.223   7.6686   55.900   10.552   19.020   1.5136   20.192   1.9709 -1.171438 2.485021 
1 1 1   16   16   27 o   54.270   0.9675  396.695   14.103  390.174   22.095  401.178   18.321   53.704   1.5318   54.522   1.2511 -0.8183670 1.977758 
1 1 1   16   16   28 o   12.301   1.8549   20.994   5.9379   17.979   7.5763   25.795   9.5607   11.233   2.5672   13.464   2.7370 -2.231235 3.752600 
1 1 1   16   16   29 o   46.942   0.8688  296.702   10.954  302.761   15.190  290.139   15.810   47.364   1.1940   46.351   1.2699 1.012711 1.743133 
1 1 1   16   16   30 o   27.776   0.9746  103.973   7.2711  108.228   9.9535   99.104   10.647   28.299   1.3095   27.018   1.4728 1.280663 1.970758 
1 1 1   16   16   31 o   31.179   0.7830  130.870   6.5569  127.804   8.0149  137.074   11.401   30.792   0.9691   31.837   1.3333 -1.044874 1.648294 
1 1 1   16   16   32 o   24.568   1.0345   81.421   6.8264   82.677   8.5753   79.247   11.279   24.691   1.2976   24.075   1.7564 0.6165314 2.183761 
1 1 1   16   16   33 o   13.793   2.1991   26.698   7.8735   23.861   10.758   29.970   11.554   12.807   3.1494   14.387   3.0827 -1.580183 4.407023 
1 1 1   16   16   34 o   32.006   1.3217  138.679   11.362  116.972   19.010  150.744   14.172   29.015   2.4626   33.311   1.5840 -4.296722 2.928056 
1 1 1   16   16   35 o   49.112   1.0101  325.491   13.324  327.107   19.094  323.958   18.602   49.110   1.4476   48.883   1.4168 0.2267952 2.025531 
1 1 1   16   16   36 o   16.469   1.8245   37.437   7.9349   42.306   10.760   31.632   11.748   17.369   2.3682   14.770   3.0620 2.598502 3.870926 
1 1 1   16   16   37 o   12.566   2.4991   22.561   8.1380   13.556   12.380   29.413   10.799   10.230   3.6133   14.271   2.9159 -4.041045 4.643130 
1 1 1   16   16   38 o   17.508   1.6280   42.051   7.5681   38.036   12.412   44.428   9.5485   16.261   2.9505   17.902   2.0213 -1.641027 3.576467 
1 1 1   16   16   39 o   40.496   0.9792  221.317   10.651  226.048   17.745  218.654   13.316   40.752   1.6212   40.193   1.2334 0.5589294 2.037062 
1 1 1   16   16   40 o   26.812   1.2193   97.333   8.7808   85.590   14.517  104.107   11.026   24.828   2.1998   27.636   1.4910 -2.807566 2.657468 
1 1 1   16   16   41 o   20.741   2.0094   59.679   11.054   65.157   17.153   55.788   14.456   21.242   3.0976   19.755   2.8030 1.487146 4.177605 
1 1 1   16   16   42 o   37.977   1.4865  196.552   15.163  208.652   22.115  185.819   20.829   38.779   2.1314   36.591   2.1285 2.187717 3.012226 
1 1 1   16   16   43 o   17.852   2.7988   46.228   12.979   42.226   20.411   48.946   16.818   16.215   4.5181   17.971   3.6096 -1.755526 5.782948 
1 1 1   16   16   44 o   10.531   3.6209   15.967   12.385 -10.4051   17.947   39.945   17.114   7.7942   3.6106   15.885   4.0105 -8.090798 5.396341 
1 1 1   16   16   45 o   12.111   3.6535   22.857   12.875   44.445   18.576   2.8985   17.861   16.527   4.1815   9.1065   3.9485 7.420753 5.751098 
1 1 1   16   16   46 o   16.126   4.1813   43.153   18.262   0.0000   0.0000   43.153   18.262  ?   ?    16.126   4.1813 0.000000 4.181312 
1 1 1   16   16   47 o   11.048   4.1144   18.592   16.341   0.0000   0.0000   18.592   16.341  ?   ?    11.048   4.1144 0.000000 4.114439 
1 1 1   16   16   48 o   8.2007   3.8734 -12.9300   22.391   0.0000   0.0000 -12.9300   22.391  ?   ?    8.2007   3.8734 0.000000 3.873407 
1 1 1   17    0  -56 o   37.429   2.9214  201.304   28.957  201.304   28.957  201.304   28.957   37.429   2.9214   37.429   2.9214 -0.000000 0.000000 
1 1 1   17    0  -55 o   17.529   3.9189   49.440   16.113   49.440   16.113   49.440   16.113   17.529   3.9189   17.529   3.9189 0.000000 0.000000 
1 1 1   17    0  -54 o   50.596   1.2192  346.554   16.547  346.554   16.547  346.554   16.547   50.596   1.2192   50.596   1.2192 0.000000 0.000000 
1 1 1   17    0  -53 o   41.981   1.2630  238.678   14.212  238.678   14.212  238.678   14.212   41.981   1.2630   41.981   1.2630 0.000000 0.000000 
1 1 1   17    0  -52 o   14.003   2.8758   29.962   9.5564   29.962   9.5564   29.962   9.5564   14.003   2.8758   14.003   2.8758 -0.000000 0.000000 
1 1 1   17    0  -51 o   24.216   1.7526   80.659   11.262   80.659   11.262   80.659   11.262   24.216   1.7526   24.216   1.7526 0.000000 0.000000 
1 1 1   17    0  -50 o   39.241   1.2299  208.254   12.934  208.254   12.934  208.254   12.934   39.241   1.2299   39.241   1.2299 0.000000 0.000000 
1 1 1   17    0  -49 o   33.461   1.2975  151.697   11.622  151.697   11.622  151.697   11.622   33.461   1.2975   33.461   1.2975 0.000000 0.000000 
1 1 1   17    0  -48 o   22.603   1.7541   70.353   10.502   70.353   10.502   70.353   10.502   22.603   1.7541   22.603   1.7541 -0.000000 0.000000 
1 1 1   17    0  -47 o   82.314   1.3826  914.677   30.548  914.677   30.548  914.677   30.548   82.314   1.3826   82.314   1.3826 0.000000 0.000000 
1 1 1   17    0  -46 o   4.3261   2.7771   0.3500   7.3409   0.3500   7.3409   0.3500   7.3409   4.3261   2.7771   4.3261   2.7771 0.000000 0.000000 
1 1 1   17    0  -45 o   43.402   1.1278  254.072   13.127  254.072   13.127  254.072   13.127   43.402   1.1278   43.402   1.1278 0.000000 0.000000 
1 1 1   17    0  -44 o   56.380   1.0973  428.212   16.603  428.212   16.603  428.212   16.603   56.380   1.0973   56.380   1.0973 -0.000000 0.000000 
1 1 1   17    0  -43 o   3.7822   2.6137  -7.0283   8.9873  -7.0283   8.9873  -7.0283   8.9873   3.7822   2.6137   3.7822   2.6137 -0.000000 0.000000 
1 1 1   17    0  -42 o   91.891   1.9045  1141.02   46.958  1141.02   46.958  1141.02   46.958   91.891   1.9045   91.891   1.9045 -0.000000 0.000000 
1 1 1   17    0  -41 o   14.249   1.9195   28.831   6.9714   28.831   6.9714   28.831   6.9714   14.249   1.9195   14.249   1.9195 0.000000 0.000000 
1 1 1   17    0  -40 o   3.6784   2.3939  -0.4714   5.7074  -0.4714   5.7074  -0.4714   5.7074   3.6784   2.3939   3.6784   2.3939 0.000000 0.000000 
1 1 1   17    0  -39 o   4.3230   2.6388   2.1894   5.8008   2.1894   5.8008   2.1894   5.8008   4.3230   2.6388   4.3230   2.6388 0.000000 0.000000 
1 1 1   17    0  -38 o   69.761   1.1015  654.776   20.628  654.776   20.628  654.776   20.628   69.761   1.1015   69.761   1.1015 0.000000 0.000000 
1 1 1   17    0  -37 o   23.119   1.1479   72.386   7.0877   72.386   7.0877   72.386   7.0877   23.119   1.1479   23.119   1.1479 0.000000 0.000000 
1 1 1   17    0  -36 o   10.735   1.8442   16.811   4.8464   16.811   4.8464   16.811   4.8464   10.735   1.8442   10.735   1.8442 0.000000 0.000000 
1 1 1   17    0  -35 o   6.1499   3.6288   5.7910   10.259   5.7910   10.259   5.7910   10.259   6.1499   3.6288   6.1499   3.6288 0.000000 0.000000 
1 1 1   17    0  -34 o   55.789   1.5559  419.488   23.273  419.488   23.273  419.488   23.273   55.789   1.5559   55.789   1.5559 0.000000 0.000000 
1 1 1   17    0  -33 o   42.811   1.5809  247.431   18.122  247.431   18.122  247.431   18.122   42.811   1.5809   42.811   1.5809 0.000000 0.000000 
1 1 1   17    0  -32 o   39.949   1.4137  215.308   15.126  215.308   15.126  215.308   15.126   39.949   1.4137   39.949   1.4137 0.000000 0.000000 
1 1 1   17    0  -31 o   78.538   2.0653  831.471   43.498  831.471   43.498  831.471   43.498   78.538   2.0653   78.538   2.0653 0.000000 0.000000 
1 1 1   17    0  -30 o   4.9575   3.3081  -4.0242   12.024  -4.0242   12.024  -4.0242   12.024   4.9575   3.3081   4.9575   3.3081 0.000000 0.000000 
1 1 1   17    0  -29 o   91.429   1.5568  1124.45   38.204  1124.45   38.204  1124.45   38.204   91.429   1.5568   91.429   1.5568 0.000000 0.000000 
1 1 1   17    0  -28 o   90.095   1.5430  1091.80   37.315  1091.80   37.315  1091.80   37.315   90.095   1.5430   90.095   1.5430 0.000000 0.000000 
1 1 1   17    0  -27 o   39.488   1.3815  210.276   14.612  210.276   14.612  210.276   14.612   39.488   1.3815   39.488   1.3815 0.000000 0.000000 
1 1 1   17    0  -26 o  169.068   3.4184  3853.24  155.088  3853.24  155.088  3853.24  155.088  169.068   3.4184  169.068   3.4184 0.000000 0.000000 
1 1 1   17    0  -25 o  212.094   4.1741  6068.16  237.579  6068.16  237.579  6068.16  237.579  212.094   4.1741  212.094   4.1741 0.000000 0.000000 
1 1 1   17    0  -24 o   14.540   2.9201   31.628   10.112   31.628   10.112   31.628   10.112   14.540   2.9201   14.540   2.9201 0.000000 0.000000 
1 1 1   17    0  -23 o   18.720   2.3660   49.306   11.379   49.306   11.379   49.306   11.379   18.720   2.3660   18.720   2.3660 0.000000 0.000000 
1 1 1   17    0  -22 o  315.365   4.2705 13395.41  361.578 13395.41  361.578 13395.41  361.578  315.365   4.2705  315.365   4.2705 -0.000000 0.000000 
1 1 1   17    0  -21 f  114.365   1.7780  1758.41   54.586  1758.41   54.586  1758.41   54.586  114.365   1.7780  114.365   1.7780 -0.000000 0.000000 
1 1 1   17    0  -20 o  181.887   2.5626  4448.62  125.138  4448.62  125.138  4448.62  125.138  181.887   2.5626  181.887   2.5626 -0.000000 0.000000 
1 1 1   17    0  -19 o  244.811   3.3538  8061.86  220.430  8061.86  220.430  8061.86  220.430  244.811   3.3538  244.811   3.3538 0.000000 0.000000 
1 1 1   17    0  -18 o   86.177   1.6928  998.753   39.148  998.753   39.148  998.753   39.148   86.177   1.6928   86.177   1.6928 -0.000000 0.000000 
1 1 1   17    0  -17 o  213.062   2.9483  6104.19  168.649  6104.19  168.649  6104.19  168.649  213.062   2.9483  213.062   2.9483 -0.000000 0.000000 
1 1 1   17    0  -16 f  131.378   1.9502  2320.18   68.781  2320.18   68.781  2320.18   68.781  131.378   1.9502  131.378   1.9502 -0.000000 0.000000 
1 1 1   17    0  -15 o  131.803   2.2525  2335.85   79.687  2335.85   79.687  2335.85   79.687  131.803   2.2525  131.803   2.2525 0.000000 0.000000 
1 1 1   17    0  -14 o   28.144   2.1247  108.217   15.851  108.217   15.851  108.217   15.851   28.144   2.1247   28.144   2.1247 -0.000000 0.000000 
1 1 1   17    0  -13 o  336.729   6.4312 15284.23  581.179 15284.23  581.179 15284.23  581.179  336.729   6.4312  336.729   6.4312 0.000000 0.000000 
1 1 1   17    0  -12 o   41.494   1.2653  231.895   14.072  231.895   14.072  231.895   14.072   41.494   1.2653   41.494   1.2653 -0.000000 0.000000 
1 1 1   17    0  -11 o  454.431   6.0822 27808.96  742.074 27808.96  742.074 27808.96  742.074  454.431   6.0822  454.431   6.0822 0.000000 0.000000 
1 1 1   17    0  -10 o   86.587   1.4035  1007.76   32.621  1007.76   32.621  1007.76   32.621   86.587   1.4035   86.587   1.4035 -0.000000 0.000000 
1 1 1   17    0   -9 o   79.363   1.1117  846.410   23.688  846.410   23.688  846.410   23.688   79.363   1.1117   79.363   1.1117 -0.000000 0.000000 
1 1 1   17    0   -8 o   33.360   1.2639  150.115   11.288  150.115   11.288  150.115   11.288   33.360   1.2639   33.360   1.2639 -0.000000 0.000000 
1 1 1   17    0   -7 o  404.098   4.4176 21960.97  479.343 21960.97  479.343 21960.97  479.343  404.098   4.4176  404.098   4.4176 0.000000 0.000000 
1 1 1   17    0   -6 o  259.874   2.8851  9077.01  201.327  9077.01  201.327  9077.01  201.327  259.874   2.8851  259.874   2.8851 -0.000000 0.000000 
1 1 1   17    0   -5 o   35.503   1.0307  169.710   9.8094  169.710   9.8094  169.710   9.8094   35.503   1.0307   35.503   1.0307 -0.000000 0.000000 
1 1 1   17    0   -4 f  154.757   2.5489  3220.05  105.885  3220.05  105.885  3220.05  105.885  154.757   2.5489  154.757   2.5489 -0.000000 0.000000 
1 1 1   17    0   -3 o  161.896   2.6500  3524.04  115.161  3524.04  115.161  3524.04  115.161  161.896   2.6500  161.896   2.6500 -0.000000 0.000000 
1 1 1   17    0   -2 o  195.197   2.4206  5120.84  126.861  5120.84  126.861  5120.84  126.861  195.197   2.4206  195.197   2.4206 -0.000000 0.000000 
1 1 1   17    0   -1 o   36.524   1.1916  179.740   11.662  179.740   11.662  179.740   11.662   36.524   1.1916   36.524   1.1916 -0.000000 0.000000 
1 1 1   17    0    0 o  131.910   1.5772  2338.09   55.862  2338.09   55.862  2338.09   55.862  131.910   1.5772  131.910   1.5772 -0.000000 0.000000 
1 1 1   17    0    1 o   73.376   1.0658  723.561   20.995  723.561   20.995  723.561   20.995   73.376   1.0658   73.376   1.0658 -0.000000 0.000000 
1 1 1   17    0    2 o   57.102   1.3676  438.690   20.948  438.690   20.948  438.690   20.948   57.102   1.3676   57.102   1.3676 -0.000000 0.000000 
1 1 1   17    0    3 o   38.720   1.0374  201.785   10.771  201.785   10.771  201.785   10.771   38.720   1.0374   38.720   1.0374 -0.000000 0.000000 
1 1 1   17    0    4 f  156.976   1.8234  3311.17   76.856  3311.17   76.856  3311.17   76.856  156.976   1.8234  156.976   1.8234 -0.000000 0.000000 
1 1 1   17    0    5 o  136.408   1.7742  2500.55   64.978  2500.55   64.978  2500.55   64.978  136.408   1.7742  136.408   1.7742 -0.000000 0.000000 
1 1 1   17    0    6 o   89.167   1.3029  1068.52   31.188  1068.52   31.188  1068.52   31.188   89.167   1.3029   89.167   1.3029 -0.000000 0.000000 
1 1 1   17    0    7 o   27.558   1.1191  102.499   8.2519  102.499   8.2519  102.499   8.2519   27.558   1.1191   27.558   1.1191 -0.000000 0.000000 
1 1 1   17    0    8 o  138.485   1.8021  2577.32   67.007  2577.32   67.007  2577.32   67.007  138.485   1.8021  138.485   1.8021 -0.000000 0.000000 
1 1 1   17    0    9 o  157.731   1.8344  3343.15   77.690  3343.15   77.690  3343.15   77.690  157.731   1.8344  157.731   1.8344 -0.000000 0.000000 
1 1 1   17    0   10 o   18.335   1.3265   45.855   6.4537   45.855   6.4537   45.855   6.4537   18.335   1.3265   18.335   1.3265 -0.000000 0.000000 
1 1 1   17    0   11 o   39.574   1.0835  210.804   11.497  210.804   11.497  210.804   11.497   39.574   1.0835   39.574   1.0835 -0.000000 0.000000 
1 1 1   17    0   12 o  105.791   1.6364  1504.34   46.474  1504.34   46.474  1504.34   46.474  105.791   1.6364  105.791   1.6364 -0.000000 0.000000 
1 1 1   17    0   13 o  355.355   3.8989 16981.05  372.026 16981.05  372.026 16981.05  372.026  355.355   3.8989  355.355   3.8989 -0.000000 0.000000 
1 1 1   17    0   14 o  467.951   5.1057 29469.74  641.549 29469.74  641.549 29469.74  641.549  467.951   5.1057  467.951   5.1057 -0.000000 0.000000 
1 1 1   17    0   15 o  225.510   2.5292  6835.23  153.153  6835.23  153.153  6835.23  153.153  225.510   2.5292  225.510   2.5292 -0.000000 0.000000 
1 1 1   17    0   16 f  118.998   1.6003  1903.10   51.128  1903.10   51.128  1903.10   51.128  118.998   1.6003  118.998   1.6003 -0.000000 0.000000 
1 1 1   17    0   17 o   52.626   1.2152  372.564   17.155  372.564   17.155  372.564   17.155   52.626   1.2152   52.626   1.2152 0.000000 0.000000 
1 1 1   17    0   18 o  179.530   2.5210  4333.46  121.507  4333.46  121.507  4333.46  121.507  179.530   2.5210  179.530   2.5210 0.000000 0.000000 
1 1 1   17    0   19 o  187.356   2.3458  4718.77  118.003  4718.77  118.003  4718.77  118.003  187.356   2.3458  187.356   2.3458 0.000000 0.000000 
1 1 1   17    0   20 o   42.015   1.3781  237.875   15.513  237.875   15.513  237.875   15.513   42.015   1.3781   42.015   1.3781 0.000000 0.000000 
1 1 1   17    0   21 f  112.861   1.7436  1712.45   52.827  1712.45   52.827  1712.45   52.827  112.861   1.7436  112.861   1.7436 0.000000 0.000000 
1 1 1   17    0   22 o  143.685   1.8697  2775.24   72.128  2775.24   72.128  2775.24   72.128  143.685   1.8697  143.685   1.8697 0.000000 0.000000 
1 1 1   17    0   23 o   18.886   1.5711   48.903   7.8424   48.903   7.8424   48.903   7.8424   18.886   1.5711   18.886   1.5711 0.000000 0.000000 
1 1 1   17    0   24 o   18.730   1.5800   48.130   7.8182   48.130   7.8182   48.130   7.8182   18.730   1.5800   18.730   1.5800 -0.000000 0.000000 
1 1 1   17    0   25 o  103.863   1.3457  1449.94   37.526  1449.94   37.526  1449.94   37.526  103.863   1.3457  103.863   1.3457 0.000000 0.000000 
1 1 1   17    0   26 o   83.520   1.2987  937.807   29.118  937.807   29.118  937.807   29.118   83.520   1.2987   83.520   1.2987 0.000000 0.000000 
1 1 1   17    0   27 o   30.269   1.2751  123.749   10.325  123.749   10.325  123.749   10.325   30.269   1.2751   30.269   1.2751 0.000000 0.000000 
1 1 1   17    0   28 o   53.852   1.0481  390.027   15.146  390.027   15.146  390.027   15.146   53.852   1.0481   53.852   1.0481 0.000000 0.000000 
1 1 1   17    0   29 o   42.712   1.1674  245.654   13.370  245.654   13.370  245.654   13.370   42.712   1.1674   42.712   1.1674 0.000000 0.000000 
1 1 1   17    0   30 o   98.825   1.6024  1313.83   42.507  1313.83   42.507  1313.83   42.507   98.825   1.6024   98.825   1.6024 -0.000000 0.000000 
1 1 1   17    0   31 o  126.297   1.7095  2145.78   57.965  2145.78   57.965  2145.78   57.965  126.297   1.7095  126.297   1.7095 -0.000000 0.000000 
1 1 1   17    0   32 o   66.207   1.1091  589.478   19.711  589.478   19.711  589.478   19.711   66.207   1.1091   66.207   1.1091 -0.000000 0.000000 
1 1 1   17    0   33 o   43.759   1.0707  257.752   12.568  257.752   12.568  257.752   12.568   43.759   1.0707   43.759   1.0707 -0.000000 0.000000 
1 1 1   17    0   34 o   83.051   1.2050  927.590   26.868  927.590   26.868  927.590   26.868   83.051   1.2050   83.051   1.2050 0.000000 0.000000 
1 1 1   17    0   35 o   76.963   1.1680  796.670   24.132  796.670   24.132  796.670   24.132   76.963   1.1680   76.963   1.1680 0.000000 0.000000 
1 1 1   17    0   36 o   15.653   1.9373   34.464   7.8093   34.464   7.8093   34.464   7.8093   15.653   1.9373   15.653   1.9373 -0.000000 0.000000 
1 1 1   17    0   37 o   40.067   1.1227  216.316   12.061  216.316   12.061  216.316   12.061   40.067   1.1227   40.067   1.1227 -0.000000 0.000000 
1 1 1   17    0   38 o   36.840   1.1554  183.023   11.407  183.023   11.407  183.023   11.407   36.840   1.1554   36.840   1.1554 -0.000000 0.000000 
1 1 1   17    0   39 o   62.019   1.1176  517.729   18.603  517.729   18.603  517.729   18.603   62.019   1.1176   62.019   1.1176 -0.000000 0.000000 
1 1 1   17    0   40 o   89.899   1.2854  1088.09   31.024  1088.09   31.024  1088.09   31.024   89.899   1.2854   89.899   1.2854 -0.000000 0.000000 
1 1 1   17    0   41 o   5.6965   3.4613   4.1248   9.8762   4.1248   9.8762   4.1248   9.8762   5.6965   3.4613   5.6965   3.4613 -0.000000 0.000000 
1 1 1   17    0   42 o   55.960   1.1937  421.940   17.924  421.940   17.924  421.940   17.924   55.960   1.1937   55.960   1.1937 -0.000000 0.000000 
1 1 1   17    0   43 o   37.465   1.2182  189.514   12.229  189.514   12.229  189.514   12.229   37.465   1.2182   37.465   1.2182 0.000000 0.000000 
1 1 1   17    0   44 o   45.303   1.1856  276.825   14.405  276.825   14.405  276.825   14.405   45.303   1.1856   45.303   1.1856 -0.000000 0.000000 
1 1 1   17    0   45 o   15.424   3.1889   36.215   11.661   36.215   11.661   36.215   11.661   15.424   3.1889   15.424   3.1889 -0.000000 0.000000 
1 1 1   17    0   46 o   3.6541   2.5755 -11.4733   10.020 -11.4733   10.020 -11.4733   10.020   3.6541   2.5755   3.6541   2.5755 -0.000000 0.000000 
1 1 1   17    0   47 o   16.139   2.5536   37.952   10.240   37.952   10.240   37.952   10.240   16.139   2.5536   16.139   2.5536 0.000000 0.000000 
1 1 1   17    0   48 o   41.153   1.2491  228.943   13.778  228.943   13.778  228.943   13.778   41.153   1.2491   41.153   1.2491 -0.000000 0.000000 
1 1 1   17    0   49 o   8.4207   3.4780   13.655   7.8051   13.655   7.8051   13.655   7.8051   8.4207   3.4780   8.4207   3.4780 -0.000000 0.000000 
1 1 1   17    0   50 o   5.9290   3.3189   6.6485   7.9308   6.6485   7.9308   6.6485   7.9308   5.9290   3.3189   5.9290   3.3189 -0.000000 0.000000 
1 1 1   17    0   51 o   28.126   1.5191  107.855   11.399  107.855   11.399  107.855   11.399   28.126   1.5191   28.126   1.5191 0.000000 0.000000 
1 1 1   17    0   52 o   43.079   1.2966  251.214   14.972  251.214   14.972  251.214   14.972   43.079   1.2966   43.079   1.2966 -0.000000 0.000000 
1 1 1   17    0   53 o   36.910   1.8553  186.573   18.287  186.573   18.287  186.573   18.287   36.910   1.8553   36.910   1.8553 -0.000000 0.000000 
1 1 1   17    0   54 o   4.3181   2.9652  -6.9028   11.140  -6.9028   11.140  -6.9028   11.140   4.3181   2.9652   4.3181   2.9652 0.000000 0.000000 
1 1 1   17    0   55 o   56.284   1.8188  434.014   27.430  434.014   27.430  434.014   27.430   56.284   1.8188   56.284   1.8188 0.000000 0.000000 
1 1 1   17    0   56 o   31.476   1.9464  137.667   16.311  137.667   16.311  137.667   16.311   31.476   1.9464   31.476   1.9464 -0.000000 0.000000 
1 1 1   17    0   57 o   7.4614   4.2752   12.021   13.577   12.021   13.577   12.021   13.577   7.4614   4.2752   7.4614   4.2752 0.000000 0.000000 
1 1 1   17    0   58 o   5.6912   3.6278   3.4147   12.259   3.4147   12.259   3.4147   12.259   5.6912   3.6278   5.6912   3.6278 0.000000 0.000000 
1 1 1   17    1  -56 o   25.981   2.7648   96.253   18.997   93.446   23.616  101.400   31.977   25.105   3.6058   25.232   4.8950 -0.1271935 6.079745 
1 1 1   17    1  -55 o   10.302   4.2011   8.6738   18.342   7.3822   25.804   9.9928   26.078   11.416   4.8434   11.750   4.9204 -0.3336992 6.904294 
1 1 1   17    1  -54 o   27.394   1.4596  102.121   10.701   95.056   15.023  109.397   15.245   26.225   2.1518   28.188   2.0271 -1.963652 2.956274 
1 1 1   17    1  -53 o   16.813   1.5804   38.689   7.0531   36.078   9.9041   41.376   10.047   16.042   2.3700   17.241   2.2211 -1.199474 3.248104 
1 1 1   17    1  -52 o   26.141   1.0840   92.175   7.6110   88.913   10.778   95.419   10.750   25.565   1.5773   26.500   1.5166 -0.9348106 2.188123 
1 1 1   17    1  -51 o   61.837   0.8389  514.756   13.932  504.642   18.542  527.870   21.114   61.167   1.1286   62.526   1.2573 -1.359097 1.689547 
1 1 1   17    1  -50 o   34.492   0.9909  160.286   9.1800  180.210   14.188  145.939   12.040   36.506   1.4470   32.865   1.3639 3.641579 1.988481 
1 1 1   17    1  -49 o   29.974   1.1250  121.150   9.0572  131.523   14.171  113.987   11.776   31.103   1.7028   28.987   1.5179 2.116583 2.281103 
1 1 1   17    1  -48 o   39.050   0.9083  205.328   9.5267  214.104   14.290  198.307   12.781   39.816   1.3362   38.334   1.2414 1.482265 1.823882 
1 1 1   17    1  -47 o   32.940   0.8783  146.058   7.7708  148.353   10.955  143.734   11.025   33.161   1.2300   32.637   1.2576 0.5237846 1.759118 
1 1 1   17    1  -46 o   41.955   0.7980  236.814   8.9926  242.362   12.702  231.238   12.733   42.407   1.1152   41.419   1.1446 0.9884911 1.598011 
1 1 1   17    1  -45 o   41.868   0.9298  235.929   10.456  232.053   14.665  239.938   14.913   41.476   1.3164   42.175   1.3165 -0.6988029 1.861699 
1 1 1   17    1  -44 f   21.360   1.3812   61.802   7.8821   67.164   10.446   54.712   12.011   22.214   1.7653   19.937   2.2842 2.276358 2.886859 
1 1 1   17    1  -43 o   28.298   0.8806  107.718   6.6927  113.947   9.5536  101.716   9.3785   29.082   1.2231   27.473   1.2710 1.608730 1.763884 
1 1 1   17    1  -42 o   27.203   0.9335   99.552   6.8202   96.072   9.2294  103.739   10.123   26.702   1.2869   27.742   1.3586 -1.039761 1.871291 
1 1 1   17    1  -41 o   24.102   0.9788   78.155   6.3363   73.201   9.2862   82.470   8.6676   23.250   1.4950   24.706   1.3109 -1.456034 1.988286 
1 1 1   17    1  -40 f   28.049   0.8170  105.779   6.1547  109.487   8.6355  101.951   8.7744   28.520   1.1273   27.518   1.1872 1.002417 1.637113 
1 1 1   17    1  -39 o   63.651   0.7669  544.631   13.112  541.708   18.449  547.615   18.639   63.449   1.0825   63.794   1.0878 -0.3444405 1.534660 
1 1 1   17    1  -38 o   60.626   1.0459  494.423   17.031  541.536   33.174  477.563   19.846   63.319   1.9507   59.563   1.2405 3.755539 2.311685 
1 1 1   17    1  -37 o   9.9958   2.6518   14.025   7.2366   18.960   10.208   9.0396   10.260   11.618   3.1791   8.9956   3.2755 2.622292 4.564600 
1 1 1   17    1  -36 o   71.065   1.0951  679.195   20.902  672.740   27.263  688.400   32.555   70.690   1.4359   71.473   1.6959 -0.7832718 2.222101 
1 1 1   17    1  -35 o   47.089   0.9829  298.093   12.432  294.733   17.373  301.619   17.796   46.800   1.3821   47.342   1.3995 -0.5423927 1.966970 
1 1 1   17    1  -34 o   42.926   0.9966  247.691   11.490  252.626   16.349  242.876   16.151   43.332   1.4048   42.487   1.4153 0.8450317 1.994093 
1 1 1   17    1  -33 o   51.047   0.9656  350.224   13.239  349.652   18.711  350.798   18.734   50.985   1.3664   51.068   1.3658 -0.8347321E-01 1.931895 
1 1 1   17    1  -32 o  145.031   1.5104  2829.81   58.837  2841.48   83.407  2818.26   83.011  145.201   2.1387  144.607   2.1372 0.5940094 3.023524 
1 1 1   17    1  -31 o   85.958   1.0762  993.112   24.846  991.862   35.100  994.368   35.175   85.868   1.5219   85.977   1.5232 -0.1083069 2.153206 
1 1 1   17    1  -30 o   72.437   1.4316  705.630   27.853  729.230   39.667  682.676   39.120   73.589   2.0069   71.198   2.0457 2.391426 2.865717 
1 1 1   17    1  -29 o  125.432   1.4443  2115.64   48.657  2139.86   74.956  2098.00   63.966  126.038   2.2142  124.848   1.9075 1.189995 2.922553 
1 1 1   17    1  -28 o   32.000   1.0565  137.602   9.0805  144.703   12.870  130.564   12.813   32.806   1.4607   31.160   1.5310 1.645864 2.116020 
1 1 1   17    1  -27 o  108.327   1.2153  1577.10   35.360  1577.93   49.960  1576.27   50.053  108.315   1.7173  108.257   1.7214 0.5756378E-01 2.431525 
1 1 1   17    1  -26 o   41.751   1.1681  234.245   13.100  218.007   24.349  240.860   15.540   40.180   2.2655   42.332   1.3668 -2.151451 2.645830 
1 1 1   17    1  -25 o  126.511   1.9111  2152.57   64.939  2229.57   93.536  2080.92   90.228  128.659   2.7067  124.297   2.7026 4.362434 3.825010 
1 1 1   17    1  -24 o   52.602   1.1990  371.779   16.940  360.767   22.148  387.306   26.299   51.807   1.5916   53.671   1.8243 -1.864212 2.421044 
1 1 1   17    1  -23 o  133.194   1.4022  2383.95   50.164  2392.62   71.077  2375.35   70.808  133.394   1.9838  132.912   1.9835 0.4823303 2.805291 
1 1 1   17    1  -22 o  131.593   1.3900  2326.82   49.128  2321.21   69.228  2332.51   69.728  131.398   1.9616  131.717   1.9709 -0.3188629 2.780705 
1 1 1   17    1  -21 o   61.172   0.9472  502.655   15.563  489.588   21.735  516.403   22.295   60.365   1.3405   61.996   1.3389 -1.631069 1.894645 
1 1 1   17    1  -20 o   60.144   1.0777  485.916   17.410  465.963   21.444  524.501   29.820   58.891   1.3557   62.472   1.7772 -3.580223 2.235258 
1 1 1   17    1  -19 o  195.675   1.9311  5146.11  101.494  5162.97  143.846  5129.39  143.223  195.918   2.7336  195.280   2.7306 0.6379242 3.863793 
1 1 1   17    1  -18 o  225.806   2.1983  6854.05  133.326  6814.31  187.854  6894.38  189.257  225.044   3.1079  226.362   3.1128 -1.317566 4.398704 
1 1 1   17    1  -17 o  153.680   1.5652  3173.13   64.608  3108.41   90.237  3241.21   92.547  152.070   2.2093  155.284   2.2189 -3.213821 3.131214 
1 1 1   17    1  -16 o  145.516   1.5960  2844.93   62.377  2945.92   84.225  2722.25   92.832  148.052   2.1180  142.303   2.4288 5.748444 3.222596 
1 1 1   17    1  -15 o   57.270   1.0711  440.545   16.476  431.881   23.122  449.481   23.483   56.698   1.5183   57.842   1.5115 -1.143852 2.142421 
1 1 1   17    1  -14 o  369.896   3.5138 18409.12  349.095 18407.11  493.709 18411.13  493.680  369.530   4.9743  369.570   4.9734 -0.4055786E-01 7.034098 
1 1 1   17    1  -13 o  147.538   1.9098  2924.83   75.681  2820.43  116.959  3000.03   99.263  144.825   3.0068  149.396   2.4738 -4.571335 3.893595 
1 1 1   17    1  -12 o  252.550   3.4471  8579.71  233.825  8863.86  337.526  8317.51  324.230  256.482   4.8996  248.458   4.8586 8.023270 6.900117 
1 1 1   17    1  -11 o  190.469   2.0069  4874.70  102.669  4888.71  121.659  4840.04  191.374  190.722   2.3749  189.662   3.7567 1.059937 4.444471 
1 1 1   17    1  -10 o   70.237   0.7420  662.552   13.997  654.240   19.722  670.987   19.868   69.792   1.0521   70.680   1.0466 -0.8877182 1.483975 
1 1 1   17    1   -9 o  199.107   1.5912  5325.67   85.097  5357.36  120.798  5294.45  119.899  199.666   2.2525  198.490   2.2490 1.175644 3.183018 
1 1 1   17    1   -8 o  251.614   1.9771  8506.38  133.613  8357.35  186.874  8662.25  191.112  249.340   2.7904  253.846   2.8030 -4.506409 3.955147 
1 1 1   17    1   -7 o  159.089   1.3033  3399.65   55.689  3441.46   79.351  3359.07   78.175  160.048   1.8459  158.120   1.8407 1.927170 2.606851 
1 1 1   17    1   -6 o   96.175   0.9221  1242.31   23.819  1273.79   32.601  1206.27   34.886   97.382   1.2464   94.763   1.3706 2.618195 1.852614 
1 1 1   17    1   -5 o  127.506   1.0843  2183.65   37.133  2157.06   52.151  2210.99   52.885  126.718   1.5323  128.292   1.5348 -1.574112 2.168710 
1 1 1   17    1   -4 o  184.670   1.7178  4581.50   85.202  4630.70  115.009  4521.64  126.847  185.633   2.3067  183.419   2.5748 2.213455 3.456935 
1 1 1   17    1   -3 o  227.224   1.9684  6937.01  120.131  7021.03  156.230  6815.46  187.903  228.561   2.5449  225.147   3.1072 3.413483 4.016390 
1 1 1   17    1   -2 o  152.916   1.4540  3141.07   59.721  3115.39   79.796  3173.78   90.044  152.274   1.9510  153.686   2.1814 -1.411819 2.926584 
1 1 1   17    1   -1 o  271.456   2.4527  9903.04  178.827  9787.97  266.230  9997.64  241.390  269.754   3.6745  272.671   3.2960 -2.916382 4.936149 
1 1 1   17    1    0 o  126.588   1.1813  2152.39   40.164  2220.41   64.500  2109.31   51.331  128.557   1.8680  125.308   1.5251 3.249046 2.411506 
1 1 1   17    1    1 o  124.115   1.1631  2069.08   38.775  2120.85   62.106  2036.01   49.637  125.643   1.8404  123.112   1.5011 2.530304 2.374921 
1 1 1   17    1    2 o  194.650   1.9082  5090.46   99.763  5009.31  161.245  5140.79  126.986  193.023   3.1102  195.584   2.4173 -2.561127 3.939099 
1 1 1   17    1    3 o  156.570   1.4857  3293.01   62.480  3296.66   93.773  3290.09   83.787  156.631   2.2290  156.484   1.9935 0.1467285 2.990381 
1 1 1   17    1    4 o  233.497   1.9255  7325.20  120.758  7321.07  179.070  7328.65  163.540  233.370   2.8568  233.509   2.6075 -0.1397247 3.867913 
1 1 1   17    1    5 o  124.412   1.1666  2079.00   38.983  2062.29   54.911  2095.98   55.353  123.900   1.6501  124.908   1.6499 -1.007774 2.333410 
1 1 1   17    1    6 o  225.284   2.0599  6819.39  124.644  6710.83  213.840  6875.25  153.397  223.368   3.5643  226.175   2.5251 -2.806915 4.368125 
1 1 1   17    1    7 o  205.178   1.7093  5655.61   94.198  5676.13  127.837  5631.24  139.337  205.519   2.3159  204.691   2.5344 0.8276520 3.433139 
1 1 1   17    1    8 o  173.269   1.5403  4033.04   71.685  3926.79  111.460  4107.99   93.615  170.934   2.4277  174.854   1.9933 -3.920303 3.141198 
1 1 1   17    1    9 o  114.253   1.0978  1753.33   33.690  1811.25   48.400  1698.89   46.924  116.116   1.5519  112.456   1.5535 3.659225 2.195868 
1 1 1   17    1   10 o  122.865   1.1057  2027.63   36.488  2036.52   54.233  2020.27   49.319  123.122   1.6400  122.634   1.4973 0.4886246 2.220685 
1 1 1   17    1   11 o  225.665   2.0640  6842.90  125.105  6807.09  186.982  6871.92  168.333  224.993   3.0941  226.091   2.7720 -1.097687 4.154236 
1 1 1   17    1   12 o  111.987   1.0358  1684.46   31.156  1679.83   46.166  1688.33   42.221  111.823   1.5371  112.108   1.4022 -0.2857895 2.080563 
1 1 1   17    1   13 o  308.428   2.9431 12791.26  243.809 12835.21  345.807 12747.83  343.798  308.763   4.1698  307.712   4.1598 1.050964 5.889900 
1 1 1   17    1   14 o   90.783   1.0481  1107.00   25.556  1051.80   40.505  1143.51   32.939   88.479   1.7044   92.264   1.3292 -3.784729 2.161433 
1 1 1   17    1   15 o  112.665   1.0923  1705.01   33.053  1709.11   52.262  1702.27   42.670  112.785   1.7252  112.568   1.4113 0.2173462 2.228935 
1 1 1   17    1   16 o  162.289   1.4603  3538.34   63.652  3542.69  100.724  3535.45   82.130  162.345   2.3099  162.203   1.8852 0.1415100 2.981555 
1 1 1   17    1   17 o   96.621   1.0315  1253.97   26.768  1260.70   40.084  1248.55   35.963   96.868   1.5406   96.404   1.3889 0.4642410 2.074261 
1 1 1   17    1   18 o  114.003   1.0519  1745.78   32.209  1729.93   47.481  1759.29   43.837  113.470   1.5579  114.433   1.4262 -0.9634323 2.112180 
1 1 1   17    1   19 o   47.994   0.7862  309.377   10.135  311.710   13.158  305.974   15.891   48.172   1.0169   47.724   1.2397 0.4478683 1.603452 
1 1 1   17    1   20 o  142.611   1.2533  2732.28   48.007  2754.61   65.236  2705.91   70.903  143.171   1.6964  141.889   1.8605 1.281036 2.517781 
1 1 1   17    1   21 o  117.905   1.1351  1867.52   35.948  1851.77   46.164  1891.80   57.297  117.393   1.4641  118.639   1.7981 -1.245567 2.318772 
1 1 1   17    1   22 o   89.821   0.9995  1083.79   24.114  1080.21   29.578  1090.87   41.639   89.667   1.2281   90.090   1.7208 -0.4229431 2.114137 
1 1 1   17    1   23 o   54.396   0.7530  397.445   11.002  392.818   14.889  403.010   16.328   54.075   1.0251   54.770   1.1099 -0.6954422 1.510894 
1 1 1   17    1   24 o   82.425   0.9144  912.655   20.243  928.531   28.737  897.017   28.521   83.127   1.2871   81.703   1.2997 1.423286 1.829132 
1 1 1   17    1   25 o   26.647   0.9369   95.392   6.7058  105.839   9.6377   85.589   9.3364   28.064   1.2786   25.197   1.3849 2.866625 1.884840 
1 1 1   17    1   26 o   50.733   0.7696  345.752   10.486  351.759   14.206  338.560   15.544   51.167   1.0337   50.195   1.1530 0.9720955 1.548517 
1 1 1   17    1   27 o   72.344   0.8256  703.103   16.043  702.278   21.582  704.122   23.984   72.292   1.1115   72.381   1.2337 -0.8956146E-01 1.660543 
1 1 1   17    1   28 o   81.476   0.8668  891.880   18.969  887.787   25.508  896.944   28.373   81.275   1.1685   81.686   1.2932 -0.4110107 1.742922 
1 1 1   17    1   29 o  119.890   1.1033  1931.78   35.526  1955.70   48.353  1903.71   52.371  120.592   1.4928  118.962   1.6390 1.630455 2.216980 
1 1 1   17    1   30 o   74.018   0.9117  736.167   18.125  742.859   27.345  730.924   24.207   74.327   1.3697   73.737   1.2222 0.5900421 1.835772 
1 1 1   17    1   31 o   92.826   0.9385  1157.91   23.399  1175.08   35.027  1144.07   31.445   93.476   1.3951   92.245   1.2692 1.230530 1.886059 
1 1 1   17    1   32 o   78.478   0.8655  827.586   18.243  829.289   27.081  826.172   24.683   78.531   1.2839   78.392   1.1723 0.1393738 1.738578 
1 1 1   17    1   33 o   81.226   0.8798  886.616   19.194  865.235   28.290  904.854   26.128   80.208   1.3132   82.035   1.1858 -1.826904 1.769371 
1 1 1   17    1   34 o   54.818   0.7562  403.778   11.135  421.835   15.943  386.583   15.558   56.016   1.0596   53.623   1.0802 2.392693 1.513157 
1 1 1   17    1   35 o   94.506   0.9146  1200.50   23.217  1186.55   32.659  1214.76   33.010   93.914   1.2948   95.023   1.2934 -1.109703 1.830072 
1 1 1   17    1   36 o   80.193   0.8440  864.376   18.180  870.996   25.759  857.807   25.661   80.465   1.1919   79.853   1.1964 0.6120529 1.688806 
1 1 1   17    1   37 o   12.324   1.8475   20.938   5.9266   16.279   8.4497   25.451   8.3150   10.763   2.8703   13.520   2.3765 -2.757324 3.726423 
1 1 1   17    1   38 o   45.453   0.7844  277.705   9.5763  267.841   13.443  287.866   13.645   44.616   1.1218   46.256   1.0983 -1.639576 1.569916 
1 1 1   17    1   39 o   80.858   0.9020  879.207   19.590  861.324   28.995  894.225   26.571   79.964   1.3500   81.501   1.2138 -1.536568 1.815464 
1 1 1   17    1   40 f   49.712   0.8619  332.326   11.508  339.420   16.957  326.269   15.669   50.202   1.2576   49.228   1.1851 0.9743347 1.727980 
1 1 1   17    1   41 o   49.814   0.7965  333.645   10.657  328.885   14.934  338.585   15.212   49.428   1.1249   50.151   1.1294 -0.7231407 1.593987 
1 1 1   17    1   42 o   28.899   1.0151  112.390   7.8789  106.181   10.289  121.191   12.250   28.066   1.3649   29.931   1.5289 -1.865469 2.049543 
1 1 1   17    1   43 o   30.106   0.9624  121.966   7.7822  122.536   10.980  121.391   11.031   30.147   1.3561   30.004   1.3688 0.1423664 1.926826 
1 1 1   17    1   44 f   54.562   0.9262  400.609   13.573  393.545   16.958  413.201   22.642   54.047   1.1682   55.319   1.5239 -1.271469 1.920126 
1 1 1   17    1   45 o   21.690   1.2475   63.639   7.2369   67.424   9.8643   59.227   10.650   22.267   1.6613   20.815   1.9268 1.452023 2.544072 
1 1 1   17    1   46 o   6.2405   2.7265  -1.6040   8.6539 -29.4188   17.964   6.8021   9.8754   6.6309   3.2185   8.3196   3.1763 -1.688724 4.521866 
1 1 1   17    1   47 o   17.622   1.4400   42.238   6.7561   47.701   9.5351   36.729   9.5742   18.645   1.9320   16.266   2.2518 2.378849 2.967047 
1 1 1   17    1   48 o   36.397   0.9019  178.369   8.8175  166.057   12.111  192.258   12.863   35.072   1.2856   37.740   1.2689 -2.668156 1.806376 
1 1 1   17    1   49 o   25.490   1.0629   87.577   7.2771   83.125   9.5822   93.645   11.186   24.753   1.4476   26.251   1.5940 -1.497772 2.153172 
1 1 1   17    1   50 o   7.2750   2.4216   6.8831   5.5375   0.9637   7.8559   12.729   7.8067   6.4072   2.6928   9.5384   2.8375 -3.131167 3.911878 
1 1 1   17    1   51 o   6.6065   2.5233   4.2059   6.2342   7.1593   9.6364   2.0800   8.1756   8.3171   3.1466   6.7508   2.7847 1.566278 4.201862 
1 1 1   17    1   52 o   39.575   0.9929  211.106   10.554  217.275   16.090  206.447   13.983   40.056   1.4955   39.079   1.3322 0.9774551 2.002841 
1 1 1   17    1   53 o   31.773   1.2537  136.474   10.699  138.118   13.675  133.880   17.180   31.859   1.6032   31.232   2.0596 0.6268482 2.610010 
1 1 1   17    1   54 o   33.342   1.2274  150.401   10.992  140.089   14.162  166.021   17.431   32.042   1.6512   34.813   1.8710 -2.771011 2.495430 
1 1 1   17    1   55 o   31.035   1.2697  130.559   10.584  123.019   14.806  138.440   15.136   29.915   1.8518   31.768   1.7811 -1.852940 2.569287 
1 1 1   17    1   56 o   9.3693   3.2146   11.914   9.7596   17.104   14.197   7.2637   13.439   11.081   3.8728   9.0413   3.6285 2.040085 5.307070 
1 1 1   17    1   57 o   23.454   1.6217   75.744   10.153   67.564   13.334   87.031   15.662   21.869   2.3047   24.809   2.3796 -2.939251 3.312749 
1 1 1   17    1   58 o   26.159   1.6290   94.467   11.389  100.293   19.819   91.595   13.916   26.244   2.8578   25.559   2.0442 0.6852837 3.513651 
1 1 1   17    2  -56 o   11.513   4.3681   17.170   18.605   2.8120   25.141   34.550   27.661   10.629   4.6456   14.826   5.3813 -4.196167 7.109105 
1 1 1   17    2  -55 o   38.221   2.0830  202.121   21.303  212.935   30.329  191.589   29.930   38.680   2.9413   36.585   3.0744 2.094543 4.254779 
1 1 1   17    2  -54 o   6.9244   3.0523  -2.2030   11.063   11.752   16.999 -12.4567   14.572   10.580   4.1329   6.8366   3.1960 3.743865 5.224500 
1 1 1   17    2  -53 o   15.241   2.4055   32.734   9.5206   45.747   13.901   21.238   13.066   17.878   3.0013   12.121   3.6857 5.756749 4.753133 
1 1 1   17    2  -52 o   14.814   1.7832   30.260   6.9530   43.405   10.260   19.094   9.4555   17.678   2.2090   11.507   3.0209 6.170470 3.742419 
1 1 1   17    2  -51 o   31.497   0.9827  133.691   8.3130  151.814   11.197  111.431   12.409   33.529   1.2433   28.625   1.6207 4.903297 2.042652 
1 1 1   17    2  -50 o   48.330   0.8673  314.492   11.258  328.319   15.252  297.943   16.687   49.334   1.1511   46.962   1.3229 2.371231 1.753579 
1 1 1   17    2  -49 o   27.664   0.9793  103.103   7.2763   97.621   10.025  109.206   10.578   26.839   1.3955   28.426   1.3854 -1.586794 1.966429 
1 1 1   17    2  -48 o   43.862   0.9332  259.101   10.994  284.161   19.131  246.743   13.434   45.819   1.5545   42.769   1.1695 3.050373 1.945280 
1 1 1   17    2  -47 o   10.346   2.6774   15.246   7.4973   15.826   9.7220   14.396   11.776   10.611   3.1688   10.450   3.5316 0.1607933 4.744866 
1 1 1   17    2  -46 f   29.891   0.9504  120.314   7.6304  115.743   9.7498  127.539   12.258   29.290   1.2393   30.716   1.4858 -1.425749 1.934803 
1 1 1   17    2  -45 o   21.677   1.0492   63.295   6.1086   62.792   8.9149   63.739   8.3871   21.497   1.5545   21.676   1.4490 -0.1786690 2.125060 
1 1 1   17    2  -44 o   14.578   1.2792   28.876   4.9584   27.216   6.7453   30.827   7.3135   14.062   1.8292   14.974   1.8583 -0.9124651 2.607570 
1 1 1   17    2  -43 f   63.580   0.8026  543.674   13.705  551.255   19.877  536.804   18.923   63.971   1.1569   63.133   1.1159 0.8373375 1.607368 
1 1 1   17    2  -42 o   26.396   0.8334   93.709   5.9084   93.097   7.9827   94.450   8.7865   26.293   1.1303   26.477   1.2355 -0.1833839 1.674582 
1 1 1   17    2  -41 o   28.286   1.0502  107.688   7.9785  128.130   15.545  100.377   9.2964   30.722   1.8931   27.295   1.2680 3.426144 2.278546 
1 1 1   17    2  -40 o   26.163   1.1510   92.153   8.0882   77.878   25.329   93.774   8.5350   23.376   4.1881   26.389   1.2042 -3.012960 4.357763 
1 1 1   17    2  -39 o   59.916   1.1312  483.203   18.204  498.732   25.458  466.954   26.041   60.809   1.5587   58.825   1.6482 1.984119 2.268464 
1 1 1   17    2  -38 o   88.519   1.2856  1055.13   30.566  1102.72   53.476  1032.04   37.250   90.256   2.2059   87.483   1.5853 2.772827 2.716480 
1 1 1   17    2  -37 o   25.839   1.4645   90.234   10.122   99.180   12.705   74.687   16.749   27.057   1.7578   23.300   2.7279 3.756830 3.245153 
1 1 1   17    2  -36 o   59.051   0.9815  468.895   15.567  454.391   21.793  484.005   22.244   58.093   1.3967   59.958   1.3812 -1.864883 1.964306 
1 1 1   17    2  -35 o   7.8222   2.7672   7.2063   7.2633   21.146   10.251  -6.8507   10.293   12.246   3.1105   6.1345   2.8022 6.111154 4.186627 
1 1 1   17    2  -34 o   69.599   1.0135  651.225   18.945  643.093   26.609  659.585   26.980   69.127   1.4332   70.007   1.4349 -0.8805847 2.028006 
1 1 1   17    2  -33 o   36.607   1.0443  180.150   10.268  169.542   14.453  190.959   14.589   35.493   1.5161   37.672   1.4418 -2.179028 2.092241 
1 1 1   17    2  -32 o   63.107   0.9778  535.266   16.573  534.386   23.255  536.175   23.625   63.031   1.3737   63.134   1.3932 -0.1039314 1.956489 
1 1 1   17    2  -31 o   88.089   1.0901  1043.06   25.791  1035.23   36.379  1050.96   36.570   87.717   1.5441   88.382   1.5405 -0.6643448 2.181165 
1 1 1   17    2  -30 o  140.249   1.5689  2646.25   59.099  2590.16   77.280  2725.27   91.719  138.663   2.0750  142.158   2.4021 -3.495560 3.174227 
1 1 1   17    2  -29 o   51.011   1.3677  349.895   18.739  324.754   26.377  375.515   26.626   49.109   1.9997   52.816   1.8769 -3.707157 2.742580 
1 1 1   17    2  -28 o   77.739   1.0285  812.121   21.474  823.749   30.772  801.083   29.981   78.267   1.4638   77.184   1.4462 1.083054 2.057739 
1 1 1   17    2  -27 o   37.193   1.0206  185.888   10.196  178.709   14.387  193.131   14.451   36.457   1.4693   37.901   1.4196 -1.444004 2.043069 
1 1 1   17    2  -26 o   72.070   0.9929  697.903   19.220  721.197   27.531  675.758   26.843   73.245   1.3994   70.900   1.4096 2.345451 1.986299 
1 1 1   17    2  -25 o   44.022   0.9495  260.365   11.227  263.297   15.867  257.425   15.887   44.260   1.3347   43.764   1.3515 0.4967308 1.899511 
1 1 1   17    2  -24 o  103.219   1.6610  1432.41   46.049  1500.35   66.692  1370.51   63.659  105.579   2.3518  100.907   2.3488 4.671501 3.323847 
1 1 1   17    2  -23 o   32.482   1.3650  141.786   11.909  151.284   15.943  129.799   17.911   33.497   1.7784   30.987   2.1657 2.509848 2.802284 
1 1 1   17    2  -22 o  233.363   2.2702  7325.66  142.296  7314.62  201.081  7336.73  201.393  232.992   3.2132  233.344   3.2133 -0.3519897 4.544241 
1 1 1   17    2  -21 o  115.665   1.2645  1797.50   39.283  1788.34   55.392  1806.77   55.718  115.343   1.7880  115.936   1.7893 -0.5926590 2.529519 
1 1 1   17    2  -20 o  114.981   1.2564  1776.23   38.802  1782.52   54.899  1769.95   54.849  115.161   1.7749  114.754   1.7796 0.4071121 2.513363 
1 1 1   17    2  -19 o   57.561   0.9372  445.051   14.490  453.448   20.552  436.751   20.432   58.095   1.3171   57.015   1.3342 1.079971 1.874816 
1 1 1   17    2  -18 o  108.102   1.2025  1569.89   34.916  1532.25   48.724  1609.63   50.060  106.781   1.6989  109.444   1.7030 -2.662621 2.405455 
1 1 1   17    2  -17 o  202.541   1.9907  5513.70  108.297  5471.41  152.427  5556.80  153.895  201.681   2.8139  203.248   2.8191 -1.567139 3.983085 
1 1 1   17    2  -16 o   79.543   1.0066  849.869   21.507  830.530   29.996  870.327   30.852   78.625   1.4204   80.487   1.4271 -1.861557 2.013515 
1 1 1   17    2  -15 o  209.029   2.0468  5872.17  114.915  5887.75  162.758  5856.68  162.271  209.227   2.8962  208.674   2.8952 0.5526428 4.095161 
1 1 1   17    2  -14 o  179.439   1.7854  4326.45   86.050  4287.60  121.050  4366.13  122.345  178.584   2.5237  180.212   2.5276 -1.627808 3.571794 
1 1 1   17    2  -13 o  103.308   1.1602  1433.58   32.192  1427.18   45.393  1440.06   45.661  103.066   1.6398  103.530   1.6420 -0.4643402 2.320588 
1 1 1   17    2  -12 o  215.733   2.4310  6255.85  140.865  6115.33  240.383  6329.34  173.840  213.105   4.1997  216.947   2.9834 -3.841431 5.151495 
1 1 1   17    2  -11 o  106.599   1.2370  1526.39   35.416  1529.51   46.786  1522.20   54.202  106.699   1.6325  106.436   1.8960 0.2626572 2.501964 
1 1 1   17    2  -10 o   94.408   1.0026  1197.14   25.422  1203.06   31.480  1186.05   43.105   94.638   1.2384   93.957   1.7081 0.6806870 2.109813 
1 1 1   17    2   -9 o  226.316   1.9614  6882.13  119.225  6870.36  153.915  6899.78  188.518  226.082   2.5347  226.516   3.0986 -0.4338074 4.003215 
1 1 1   17    2   -8 o  160.348   1.3131  3453.74   56.551  3481.84   80.327  3426.12   79.629  160.980   1.8578  159.687   1.8566 1.293152 2.626444 
1 1 1   17    2   -7 o  395.884   3.0601 21073.56  325.387 20931.36  458.143 21218.30  462.219  394.303   4.3259  396.994   4.3348 -2.691437 6.124079 
1 1 1   17    2   -6 o   75.607   0.8517  767.756   17.295  760.740   27.645  772.268   22.170   75.255   1.3677   75.826   1.0885 -0.5713959 1.748028 
1 1 1   17    2   -5 o  181.065   1.6017  4404.27   77.895  4357.85  109.436  4451.95  110.898  180.079   2.2626  182.012   2.2685 -1.933533 3.203944 
1 1 1   17    2   -4 o  108.262   1.0023  1574.23   29.144  1616.78   39.957  1525.86   42.602  109.709   1.3560  106.577   1.4882 3.132202 2.013327 
1 1 1   17    2   -3 o  129.497   1.1475  2252.45   39.914  2249.69   54.008  2255.78   59.247  129.409   1.5538  129.580   1.7023 -0.1712646 2.304838 
1 1 1   17    2   -2 o   85.299   1.0050  977.249   23.024  950.555   32.270  1004.93   32.860   84.120   1.4283   86.493   1.4145 -2.372742 2.010149 
1 1 1   17    2   -1 o  142.809   1.3031  2739.48   49.984  2752.93   64.722  2719.60   78.681  143.149   1.6833  142.268   2.0591 0.8817749 2.659600 
1 1 1   17    2    0 f  219.875   1.8207  6495.20  107.524  6519.05  145.922  6466.88  159.049  220.240   2.4668  219.340   2.6997 0.8995667 3.657009 
1 1 1   17    2    1 o  108.066   1.3503  1568.69   39.192  1509.77   54.360  1632.47   56.556  106.005   1.9093  110.228   1.9103 -4.223511 2.700814 
1 1 1   17    2    2 o  125.218   1.0706  2106.01   36.007  2086.93   50.695  2125.44   51.152  124.641   1.5143  125.785   1.5140 -1.144714 2.141356 
1 1 1   17    2    3 o  294.351   2.5158 11645.01  198.902 11519.42  279.261 11774.32  283.364  292.643   3.5529  295.861   3.5659 -3.218231 5.033729 
1 1 1   17    2    4 o  178.436   1.5808  4277.27   75.762  4252.32  119.438  4294.08   98.003  177.872   2.5000  178.768   2.0411 -0.8950500 3.227380 
1 1 1   17    2    5 o  217.370   1.8905  6348.34  110.375  6231.46  154.400  6470.48  157.843  215.310   2.6699  219.400   2.6785 -4.089844 3.781906 
1 1 1   17    2    6 o  117.048   1.1741  1840.22   36.911  1839.23   55.348  1841.02   49.535  117.004   1.7612  117.065   1.5754 -0.6186676E-01 2.362998 
1 1 1   17    2    7 o  158.477   1.4247  3373.73   60.645  3319.13   85.021  3430.28   86.528  157.168   2.0140  159.778   2.0163 -2.609909 2.849859 
1 1 1   17    2    8 o   33.369   0.7673  149.546   6.8774  156.092   9.7815  143.146   9.6716   34.090   1.0683   32.645   1.1030 1.444477 1.535544 
1 1 1   17    2    9 o  141.994   1.2403  2708.27   47.302  2745.42   70.646  2678.08   63.685  142.946   1.8400  141.188   1.6794 1.758362 2.491174 
1 1 1   17    2   10 o  101.316   1.0652  1378.77   28.987  1370.96   43.156  1385.19   39.127  101.019   1.5905  101.545   1.4346 -0.5263367 2.141919 
1 1 1   17    2   11 o  149.441   1.5189  3000.18   60.965  2965.87   98.776  3021.29   77.485  148.542   2.4758  149.950   1.9239 -1.408203 3.135398 
1 1 1   17    2   12 o   72.356   0.7694  703.149   14.953  720.459   21.350  686.483   20.949   73.238   1.0853   71.490   1.0910 1.747833 1.538912 
1 1 1   17    2   13 o  180.791   1.4633  4391.01   71.057  4338.66   99.725  4445.01  101.272  179.680   2.0664  181.868   2.0732 -2.188416 2.927144 
1 1 1   17    2   14 o  321.738   2.8910 13921.28  249.830 13998.00  375.880 13860.57  334.376  322.339   4.3415  320.855   3.8800 1.484009 5.822679 
1 1 1   17    2   15 o  118.468   1.0797  1885.19   34.355  1874.98   46.471  1897.49   51.017  118.136   1.4646  118.839   1.5983 -0.7028427 2.167848 
1 1 1   17    2   16 o   70.865   0.9329  674.518   17.756  683.934   25.176  665.199   25.046   71.352   1.3137   70.367   1.3252 0.9842377 1.865992 
1 1 1   17    2   17 o  135.559   1.1992  2468.57   43.662  2486.03   59.455  2448.13   64.327  136.020   1.6274  134.973   1.7744 1.047653 2.407688 
1 1 1   17    2   18 o  166.338   1.3630  3717.26   60.897  3718.22   86.078  3716.29   86.164  166.325   1.9268  166.282   1.9293 0.4344177E-01 2.726665 
1 1 1   17    2   19 o  125.723   1.1840  2123.43   39.983  2114.76   56.383  2132.19   56.706  125.445   1.6734  125.961   1.6761 -0.5157089 2.368483 
1 1 1   17    2   20 o  198.498   1.6655  5295.30   88.796  5351.65  120.926  5229.37  130.808  199.490   2.2569  197.172   2.4700 2.318451 3.345798 
1 1 1   17    2   21 o  158.900   1.3715  3392.70   58.533  3401.19   79.283  3382.53   86.781  159.062   1.8558  158.609   2.0371 0.4531250 2.755635 
1 1 1   17    2   22 o  105.298   1.1112  1489.63   31.426  1480.35   41.775  1501.73   47.699  104.953   1.4819  105.698   1.6801 -0.7447052 2.240309 
1 1 1   17    2   23 o  173.376   1.6354  4040.75   76.156  4007.80   92.724  4109.04  133.497  172.627   1.9998  174.665   2.8456 -2.037781 3.478031 
1 1 1   17    2   24 o  162.341   1.4667  3542.42   63.954  3497.77   81.902  3612.19  102.373  161.268   1.8908  163.823   2.3266 -2.555237 2.998041 
1 1 1   17    2   25 o   83.947   1.0299  946.848   23.222  953.061   29.370  936.485   37.928   84.210   1.2985   83.452   1.6921 0.7579422 2.132960 
1 1 1   17    2   26 o   48.329   0.7608  313.767   9.8753  312.144   13.281  315.774   14.769   48.198   1.0259   48.475   1.1343 -0.2765808 1.529431 
1 1 1   17    2   27 o  121.470   1.0634  1982.80   34.693  1973.81   48.872  1991.93   49.258  121.156   1.5018  121.710   1.5068 -0.5545120 2.127430 
1 1 1   17    2   28 o   77.963   0.8157  816.625   17.081  818.217   24.133  815.027   24.180   78.023   1.1516   77.871   1.1561 0.1525040 1.631780 
1 1 1   17    2   29 o   4.3224   1.9546  -2.7383   4.8533   3.4808   6.7113  -9.5557   7.0268   6.6296   2.5948   4.4229   2.1120 2.206707 3.345715 
1 1 1   17    2   30 o   91.006   0.8874  1112.87   21.692  1119.49   30.714  1106.29   30.639   91.250   1.2532   90.710   1.2576 0.5402679 1.775366 
1 1 1   17    2   31 o   52.549   0.7782  371.019   10.984  370.125   16.279  371.767   14.882   52.471   1.1551   52.592   1.0536 -0.1208115 1.563402 
1 1 1   17    2   32 o   82.662   0.8878  918.244   19.711  920.152   29.279  916.663   26.657   82.714   1.3179   82.567   1.2020 0.1467590 1.783748 
1 1 1   17    2   33 o   37.449   0.8236  188.462   8.2840  170.691   12.148  203.909   11.326   35.624   1.2696   38.945   1.0827 -3.320400 1.668601 
1 1 1   17    2   34 o   74.434   0.8548  744.624   17.089  747.028   25.465  742.655   23.050   74.520   1.2723   74.313   1.1548 0.2075043 1.718226 
1 1 1   17    2   35 o   35.085   0.8090  165.441   7.6234  160.586   10.675  170.495   10.890   34.553   1.1503   35.604   1.1388 -1.050667 1.618648 
1 1 1   17    2   36 o   75.511   0.9064  766.577   18.384  763.718   25.984  769.442   26.013   75.329   1.2842   75.611   1.2809 -0.2821960 1.813822 
1 1 1   17    2   37 o   24.452   1.0458   80.426   6.8686   75.738   10.584   83.837   9.0276   23.640   1.6779   24.915   1.3541 -1.275215 2.156121 
1 1 1   17    2   38 o   28.758   0.9278  111.225   7.1665  116.404   10.319  106.399   9.9609   29.400   1.3067   28.107   1.3194 1.292664 1.856988 
1 1 1   17    2   39 o   25.032   0.9983   84.301   6.7118   77.472   9.2593   91.863   9.7429   23.930   1.4474   26.072   1.3964 -2.141478 2.011161 
1 1 1   17    2   40 o   27.222   0.9981   99.707   7.2974   89.858   10.008  110.889   10.664   25.775   1.4515   28.683   1.3842 -2.907846 2.005666 
1 1 1   17    2   41 o   27.107   0.9860   98.872   7.1787   93.004   9.9687  105.194   10.346   26.225   1.4205   27.935   1.3789 -1.709347 1.979744 
1 1 1   17    2   42 o   50.211   0.8978  339.161   12.107  335.905   16.907  342.588   17.346   49.928   1.2608   50.420   1.2809 -0.4915314 1.797272 
1 1 1   17    2   43 f   46.736   0.9125  293.892   11.454  289.249   14.388  301.928   18.928   46.338   1.1560   47.295   1.4900 -0.9569778 1.885853 
1 1 1   17    2   44 o   43.111   0.8708  250.068   10.083  260.501   13.926  238.570   14.619   43.966   1.1792   42.060   1.2941 1.906216 1.750785 
1 1 1   17    2   45 o   55.518   0.8303  414.724   12.381  413.487   17.367  416.002   17.656   55.384   1.1675   55.550   1.1833 -0.1653442 1.662323 
1 1 1   17    2   46 f   36.026   0.9834  174.800   9.5153  179.163   12.590  168.989   14.531   36.435   1.2865   35.350   1.5304 1.085644 1.999320 
1 1 1   17    2   47 o   24.317   1.2445   80.004   8.1008   76.867   12.213   82.468   10.824   23.708   1.9348   24.622   1.6463 -0.9132595 2.540446 
1 1 1   17    2   48 o   75.601   0.8975  769.579   18.225  767.323   24.384  772.433   27.432   75.411   1.2039   75.615   1.3507 -0.2046356 1.809313 
1 1 1   17    2   49 o   19.368   1.3458   50.921   6.9573   49.891   9.4444   52.143   10.288   19.076   1.8672   19.479   1.9946 -0.4024239 2.732180 
1 1 1   17    2   50 o   6.2719   2.5939   1.6358   7.1194  -5.3739   10.963   6.7481   9.3622   6.5121   2.9418   8.1546   3.0975 -1.642564 4.271888 
1 1 1   17    2   51 o   26.081   1.1441   91.785   8.0148   87.804   11.358   95.733   11.311   25.388   1.6751   26.531   1.5947 -1.143463 2.312813 
1 1 1   17    2   52 o   30.589   1.2199  126.406   10.023  137.378   14.523  116.428   13.850   31.755   1.7091   29.209   1.7737 2.545156 2.463117 
1 1 1   17    2   53 o   6.0418   2.6224  -0.8438   7.8946   16.226   11.581 -15.6641   10.791   10.788   3.4976   5.3102   2.5570 5.477922 4.332568 
1 1 1   17    2   54 o   9.8525   2.9143   13.894   8.2526   1.9443   11.665   25.869   11.677   7.7587   3.2721   13.247   3.2955 -5.487998 4.643988 
1 1 1   17    2   55 o   28.131   1.4783  108.030   11.130  117.043   14.424   94.766   17.499   29.152   1.8518   25.928   2.5455 3.223373 3.147838 
1 1 1   17    2   56 o   13.750   2.4063   27.145   8.5631   37.262   12.229   17.412   11.995   15.935   2.9664   10.933   3.5604 5.001590 4.634186 
1 1 1   17    2   57 o   23.692   1.6249   77.417   10.277   75.630   15.770   78.736   13.550   22.954   2.6041   23.661   2.1558 -0.7078362 3.380601 
1 1 1   17    2   58 o   25.010   1.8491   87.256   12.333   82.699   16.270   93.411   18.910   23.936   2.5710   25.270   2.8349 -1.333759 3.827102 
1 1 1   17    3  -56 o   14.424   5.4012   32.570   28.237   0.0000   0.0000   32.570   28.237  ?   ?    14.424   5.4012 0.000000 5.401245 
1 1 1   17    3  -55 o   8.0466   3.7565 -14.4669   20.022  -7.0110   27.947 -22.3300   28.700   10.276   4.6644   9.3189   4.3966 0.9575129 6.409835 
1 1 1   17    3  -54 o   8.1558   3.4562   2.0999   13.116   23.453   25.654  -5.4561   15.261   13.385   5.1172   7.7399   3.4861 5.645041 6.191794 
1 1 1   17    3  -53 o   11.665   3.4455   19.778   11.542   5.9956   17.051   31.434   15.681   9.7223   4.0171   14.490   3.9297 -4.768141 5.619564 
1 1 1   17    3  -52 o   14.568   1.7725   29.295   6.7925   19.098   10.679   36.224   8.8027   11.503   3.2904   16.148   2.0778 -4.644593 3.891493 
1 1 1   17    3  -51 o   9.4266   2.5010   12.653   6.4368   16.968   10.025   9.6254   8.3964   10.915   3.2073   8.6647   2.9812 2.250646 4.378858 
1 1 1   17    3  -50 o   35.629   1.0083  171.092   9.6489  173.799   13.542  168.301   13.752   35.849   1.4064   35.269   1.4517 0.5796013 2.021253 
1 1 1   17    3  -49 o   5.5922   2.3265   1.0473   5.7760  -1.4531   7.0719   6.0577   10.011   5.6154   2.4588   8.1654   3.1766 -2.550060 4.016955 
1 1 1   17    3  -48 o   49.758   0.8869  333.375   11.853  328.104   16.113  339.592   17.499   49.305   1.2167   50.144   1.2993 -0.8382721 1.780031 
1 1 1   17    3  -47 o   6.8302   2.3356   5.8782   5.1514   4.7999   7.0375   7.1229   7.5609   7.0272   2.6817   7.8076   2.8166 -0.7804031 3.889022 
1 1 1   17    3  -46 o   15.280   1.3206   31.757   5.3665   29.450   7.0125   35.017   8.3371   14.622   1.8253   15.929   1.9922 -1.306900 2.701934 
1 1 1   17    3  -45 o   15.291   1.1604   31.704   4.7301   34.371   6.1659   27.889   7.3737   15.882   1.4619   14.195   1.9885 1.686707 2.468056 
1 1 1   17    3  -44 o   24.297   1.0686   79.522   6.9737   69.397   13.153   83.481   8.2249   22.482   2.2067   24.882   1.2307 -2.400042 2.526709 
1 1 1   17    3  -43 o   7.4841   2.3619   7.5269   5.3082   14.610   11.417   5.5734   5.9957   10.498   3.4763   6.9645   2.5087 3.533737 4.287007 
1 1 1   17    3  -42 o   39.649   1.1160  211.715   11.885  198.424   16.613  225.650   17.010   38.326   1.6138   40.880   1.5492 -2.554230 2.237082 
1 1 1   17    3  -41 o   73.073   1.2325  719.398   24.189  702.046   29.367  756.012   42.659   72.127   1.5159   74.674   2.1269 -2.546333 2.611847 
1 1 1   17    3  -40 o   70.808   1.1158  674.999   21.221  683.251   32.242  668.692   28.188   71.126   1.6877   70.408   1.4906 0.7181778 2.251692 
1 1 1   17    3  -39 f   55.077   1.2176  408.526   18.012  405.203   25.609  411.779   25.340   54.773   1.7407   55.221   1.7085 -0.4484215 2.439067 
1 1 1   17    3  -38 o   49.336   1.1286  327.622   14.956  331.993   20.775  322.920   21.547   49.614   1.5590   48.920   1.6399 0.6937447 2.262653 
1 1 1   17    3  -37 o   41.246   1.1948  229.000   13.237  222.804   22.531  232.266   16.358   40.538   2.0763   41.515   1.4670 -0.9772110 2.542240 
1 1 1   17    3  -36 o   65.978   1.1503  585.735   20.385  588.985   25.130  579.483   34.858   66.128   1.4149   65.500   1.9814 0.6278610 2.434710 
1 1 1   17    3  -35 o   53.729   0.9839  388.176   14.198  375.988   19.770  401.160   20.404   52.845   1.3928   54.586   1.3917 -1.740395 1.968988 
1 1 1   17    3  -34 o  139.084   1.4672  2604.31   54.810  2591.67   77.247  2617.13   77.780  138.574   2.0754  139.252   2.0796 -0.6775360 2.938045 
1 1 1   17    3  -33 o   62.169   0.9777  519.563   16.326  504.679   22.692  535.534   23.507   61.242   1.3795   63.086   1.3873 -1.843639 1.956441 
1 1 1   17    3  -32 o   80.490   1.0464  870.934   22.622  873.042   32.087  868.851   31.900   80.546   1.4832   80.353   1.4781 0.1929779 2.093909 
1 1 1   17    3  -31 o   16.016   1.7657   34.957   7.4696   40.292   10.640   29.771   10.489   17.119   2.3782   14.603   2.7756 2.515312 3.655159 
1 1 1   17    3  -30 o   11.568   2.3922   18.715   7.1872   8.5031   9.8854   30.167   10.468   8.8075   3.2139   14.710   2.7507 -5.902138 4.230303 
1 1 1   17    3  -29 f   64.821   1.0418  564.725   18.138  568.996   24.163  559.212   27.453   65.046   1.3831   64.470   1.5854 0.5757675 2.103915 
1 1 1   17    3  -28 o   62.755   1.3789  529.562   23.241  553.941   33.048  505.706   32.691   64.144   1.9182   61.282   1.9861 2.861794 2.761172 
1 1 1   17    3  -27 o   76.780   1.0942  792.291   22.564  799.745   34.671  786.814   29.719   77.101   1.6742   76.492   1.4465 0.6087952 2.212568 
1 1 1   17    3  -26 o   83.164   1.0494  929.403   23.440  946.206   33.378  913.053   32.925   83.886   1.4814   82.403   1.4876 1.483086 2.099448 
1 1 1   17    3  -25 o   45.860   0.9448  282.572   11.638  272.355   16.290  293.222   16.631   45.012   1.3474   46.706   1.3258 -1.693256 1.890286 
1 1 1   17    3  -24 o  156.812   1.6000  3306.28   67.390  3273.18   94.712  3340.22   95.907  155.931   2.2614  157.519   2.2669 -1.587936 3.201973 
1 1 1   17    3  -23 o   90.787   1.5419  1108.01   37.600  1049.59   52.123  1171.38   54.291   88.316   2.1974   93.302   2.1664 -4.985962 3.085751 
1 1 1   17    3  -22 o   60.945   1.3298  499.148   21.768  475.338   30.396  524.218   31.190   59.453   1.9035   62.437   1.8598 -2.983990 2.661239 
1 1 1   17    3  -21 o  125.016   1.3365  2100.18   44.876  2066.62   62.928  2134.91   64.014  123.976   1.8898  126.008   1.8914 -2.031387 2.673729 
1 1 1   17    3  -20 o   58.652   0.9312  462.112   14.670  457.341   20.679  466.944   20.813   58.341   1.3197   58.950   1.3145 -0.6094856 1.862647 
1 1 1   17    3  -19 o   82.794   1.1844  920.935   26.338  927.971   37.440  914.042   37.057   83.094   1.6776   82.468   1.6730 0.6258163 2.369205 
1 1 1   17    3  -18 o  142.250   1.7039  2719.47   65.100  2644.24   90.503  2800.14   93.710  140.217   2.4031  144.290   2.4180 -4.072968 3.409062 
1 1 1   17    3  -17 o   69.966   0.9678  657.560   18.187  638.785   25.559  676.817   25.884   68.952   1.3801   70.976   1.3578 -2.023445 1.936029 
1 1 1   17    3  -16 o   30.433   1.0470  124.408   8.5579  113.680   11.828  136.194   12.397   29.047   1.5213   31.838   1.4497 -2.790728 2.101473 
1 1 1   17    3  -15 o   66.915   0.9466  601.426   17.013  573.628   23.647  631.254   24.495   65.344   1.3473   68.548   1.3304 -3.203918 1.893514 
1 1 1   17    3  -14 o   87.598   1.0530  1030.73   24.775  1061.09   35.344  1001.41   34.738   88.870   1.4807   86.334   1.4981 2.535751 2.106371 
1 1 1   17    3  -13 o   32.403   0.9796  141.027   8.5253  136.998   11.924  145.241   12.194   31.934   1.3902   32.881   1.3807 -0.9467964 1.959353 
1 1 1   17    3  -12 f  190.715   1.6810  4886.99   86.106  4909.91  111.342  4852.90  135.818  191.131   2.1689  189.979   2.6617 1.151657 3.433474 
1 1 1   17    3  -11 o  103.160   0.9686  1429.38   26.839  1432.70   39.795  1426.61   36.350  103.270   1.4347  103.053   1.3133 0.2166519 1.945005 
1 1 1   17    3  -10 o  128.114   1.1924  2204.70   41.032  2266.92   65.684  2164.89   52.546  129.887   1.8828  126.942   1.5411 2.944817 2.433101 
1 1 1   17    3   -9 o  310.184   2.5228 12933.74  210.180 13173.76  315.463 12742.16  281.847  312.865   3.7541  307.755   3.4097 5.109833 5.071394 
1 1 1   17    3   -8 o   98.985   1.1031  1316.07   29.329  1323.47   37.311  1304.11   47.445   99.257   1.3995   98.520   1.7930 0.7377090 2.274545 
1 1 1   17    3   -7 o   51.010   0.8432  349.480   11.553  350.805   14.899  347.481   18.298   51.105   1.0854   50.860   1.3395 0.2449188 1.724024 
1 1 1   17    3   -6 o  183.415   1.7075  4519.71   84.117  4490.05  112.499  4557.33  126.678  182.781   2.2915  184.129   2.5615 -1.347229 3.436885 
1 1 1   17    3   -5 o   78.560   0.9691  828.937   20.448  827.943   25.880  830.588   33.359   78.510   1.2273   78.630   1.5796 -0.1198349 2.000308 
1 1 1   17    3   -4 o   84.815   0.8205  966.168   18.691  997.897   26.875  936.447   26.011   86.193   1.1609   83.497   1.1598 2.695999 1.641004 
1 1 1   17    3   -3 o  200.074   1.5988  5377.71   85.919  5340.88  120.985  5415.19  122.039  199.353   2.2595  200.735   2.2635 -1.381760 3.198261 
1 1 1   17    3   -2 o  246.961   1.9437  8194.85  128.930  8158.78  181.818  8231.34  182.855  246.353   2.7478  247.446   2.7513 -1.092728 3.888446 
1 1 1   17    3   -1 o   55.380   0.7893  411.915   11.740  414.160   15.803  409.150   17.538   55.529   1.0596   55.191   1.1831 0.3379326 1.588218 
1 1 1   17    3    0 o  136.062   1.4015  2486.88   51.217  2523.80   65.392  2428.28   82.379  137.058   1.7764  134.420   2.2817 2.637527 2.891646 
1 1 1   17    3    1 o   83.314   0.9937  932.292   22.237  914.426   28.006  962.773   36.580   82.508   1.2637   84.655   1.6088 -2.147385 2.045788 
1 1 1   17    3    2 o  162.400   1.3879  3542.82   60.539  3532.28   81.870  3555.54   89.927  162.141   1.8799  162.666   2.0583 -0.5252991 2.787582 
1 1 1   17    3    3 o  316.259   2.4609 13443.36  209.040 13395.02  294.924 13492.16  296.334  315.559   3.4797  316.700   3.4837 -1.141571 4.923853 
1 1 1   17    3    4 o  158.965   1.3626  3394.53   58.180  3430.46   79.340  3352.74   85.571  159.787   1.8487  157.960   2.0169 1.827469 2.735975 
1 1 1   17    3    5 o  238.260   1.8796  7627.46  120.285  7605.90  169.766  7649.20  170.453  237.864   2.6572  238.540   2.6604 -0.6758881 3.760154 
1 1 1   17    3    6 o  163.947   1.3404  3610.58   59.023  3676.16   84.364  3547.71   82.606  165.407   1.8989  162.492   1.8927 2.915146 2.681122 
1 1 1   17    3    7 o  236.598   1.8676  7521.49  118.680  7597.95  168.906  7446.92  166.792  237.737   2.6452  235.363   2.6384 2.374069 3.736085 
1 1 1   17    3    8 o  172.316   1.4009  3988.79   64.836  3996.19   91.749  3981.40   91.635  172.451   1.9808  172.131   1.9820 0.3194733 2.802141 
1 1 1   17    3    9 o  134.951   1.1404  2446.24   41.336  2482.18   58.928  2411.42   57.999  135.925   1.6141  133.974   1.6118 1.951248 2.281050 
1 1 1   17    3   10 o  133.018   1.3016  2376.83   46.503  2413.59   70.207  2348.10   62.072  134.020   1.9504  132.197   1.7482 1.823044 2.619169 
1 1 1   17    3   11 o  179.465   1.5185  4326.98   73.196  4238.07   97.788  4440.27  110.380  177.584   2.0502  181.757   2.2610 -4.173264 3.052137 
1 1 1   17    3   12 f  208.521   1.7381  5842.32   97.343  5809.07  143.889  5870.38  132.183  207.862   2.5773  208.975   2.3550 -1.113708 3.491180 
1 1 1   17    3   13 o  220.997   1.7555  6562.61  104.204  6748.87  149.926  6388.56  144.933  224.048   2.4914  217.987   2.4754 6.061249 3.512087 
1 1 1   17    3   14 o  121.916   1.1063  1996.58   36.225  1958.62   48.471  2044.60   54.521  120.740   1.4946  123.356   1.6455 -2.616119 2.223008 
1 1 1   17    3   15 o  178.389   1.7689  4276.35   84.757  4288.33  120.038  4264.45  119.691  178.581   2.5026  178.083   2.5023 0.4979248 3.539028 
1 1 1   17    3   16 o   46.600   0.7714  291.666   9.6553  294.000   13.534  289.247   13.778   46.783   1.0771   46.403   1.1055 0.3800735 1.543461 
1 1 1   17    3   17 o   93.699   0.8892  1179.27   22.377  1177.88   31.534  1180.68   31.760   93.635   1.2538   93.746   1.2613 -0.1108322 1.778512 
1 1 1   17    3   18 o   59.015   0.8014  467.799   12.702  445.957   17.365  492.940   18.630   57.616   1.1221   60.575   1.1451 -2.958691 1.603197 
1 1 1   17    3   19 o  173.409   1.4778  4040.82   68.829  4094.09   93.867  3978.87  101.229  174.505   2.0027  172.013   2.1910 2.491913 2.968402 
1 1 1   17    3   20 o   97.716   0.9531  1282.67   25.015  1273.52   33.633  1293.99   37.423   97.356   1.2862   98.130   1.4199 -0.7736816 1.915808 
1 1 1   17    3   21 o   24.526   1.0132   80.809   6.6744   83.052   8.3110   76.734   11.201   24.830   1.2502   23.826   1.7628 1.004206 2.161130 
1 1 1   17    3   22 o  110.497   1.0878  1640.43   32.283  1633.26   41.427  1651.52   51.514  110.240   1.3991  110.832   1.7305 -0.5928040 2.225346 
1 1 1   17    3   23 o  137.797   1.2828  2551.77   47.479  2567.62   61.332  2528.08   75.002  138.193   1.6524  137.084   2.0370 1.108932 2.622944 
1 1 1   17    3   24 o   85.555   1.1904  983.659   27.354  993.483   33.694  964.668   46.847   85.967   1.4592   84.669   2.0600 1.297844 2.524482 
1 1 1   17    3   25 o  178.504   1.5181  4284.28   72.783  4256.93   98.097  4317.78  108.556  177.844   2.0536  179.070   2.2570 -1.225586 3.051504 
1 1 1   17    3   26 o   76.613   0.8421  788.581   17.328  799.951   23.622  775.334   25.496   77.150   1.1399   75.948   1.2499 1.202103 1.691633 
1 1 1   17    3   27 o   80.136   0.8296  862.796   17.857  866.487   25.282  859.122   25.226   80.290   1.1723   79.948   1.1747 0.3420639 1.659643 
1 1 1   17    3   28 o  110.066   1.0378  1628.13   30.681  1657.32   45.624  1604.04   41.453  111.001   1.5303  109.215   1.4131 1.786026 2.082974 
1 1 1   17    3   29 f   46.909   0.7891  295.642   9.9420  302.772   14.007  288.402   14.114   47.461   1.0988   46.320   1.1345 1.141327 1.579356 
1 1 1   17    3   30 o   87.907   0.8707  1038.41   20.559  1017.49   28.754  1060.28   29.407   86.992   1.2306   88.802   1.2329 -1.809868 1.742005 
1 1 1   17    3   31 o   70.890   0.7965  675.260   15.165  686.073   21.479  664.513   21.415   71.437   1.1195   70.305   1.1341 1.132401 1.593531 
1 1 1   17    3   32 o   82.556   0.8872  915.960   19.672  938.958   29.554  897.665   26.360   83.549   1.3170   81.702   1.2012 1.846794 1.782497 
1 1 1   17    3   33 o  140.358   1.2505  2649.92   47.144  2653.76   70.036  2646.74   63.750  140.323   1.8582  140.180   1.6932 0.1436615 2.513949 
1 1 1   17    3   34 o   30.860   0.8955  128.012   7.4224  133.648   11.237  123.650   9.8863   31.514   1.3275   30.318   1.2141 1.196650 1.798964 
1 1 1   17    3   35 o   51.477   0.8585  356.216   11.870  364.661   19.491  351.238   14.965   52.043   1.3944   51.101   1.0903 0.9416237 1.770041 
1 1 1   17    3   36 o   43.559   0.9004  255.114   10.534  242.917   15.163  266.492   14.646   42.475   1.3291   44.497   1.2255 -2.022034 1.807856 
1 1 1   17    3   37 o   69.219   0.8088  644.129   15.037  652.503   21.325  635.847   21.207   69.631   1.1402   68.735   1.1487 0.8955154 1.618525 
1 1 1   17    3   38 o   50.575   0.7781  343.877   10.570  340.980   14.827  346.870   15.072   50.335   1.0967   50.767   1.1053 -0.4320679 1.557088 
1 1 1   17    3   39 f   62.688   0.8593  528.494   14.469  527.038   20.270  530.007   20.660   62.560   1.2064   62.733   1.2261 -0.1730919 1.720075 
1 1 1   17    3   40 o   30.867   0.9819  128.200   8.1405  124.025   10.456  134.624   12.971   30.340   1.2831   31.588   1.5288 -1.248053 1.995911 
1 1 1   17    3   41 o   43.937   0.9063  259.705   10.695  266.351   13.485  248.435   17.560   44.475   1.1289   42.905   1.5238 1.569164 1.896371 
1 1 1   17    3   42 o   77.684   0.8991  811.937   18.760  801.464   25.163  825.044   28.148   77.123   1.2147   78.221   1.3398 -1.098091 1.808479 
1 1 1   17    3   43 o   39.246   0.8555  207.218   9.0179  207.838   12.585  206.564   12.928   39.271   1.1932   39.146   1.2296 0.1247749 1.713329 
1 1 1   17    3   44 o   50.119   0.8825  338.050   11.880  334.902   15.578  342.427   18.366   49.847   1.1635   50.371   1.3575 -0.5238914 1.787922 
1 1 1   17    3   45 o   13.675   2.0879   25.995   7.4255   40.303   10.030   8.6439   11.045   17.057   2.2437   9.0025   3.3767 8.054952 4.054218 
1 1 1   17    3   46 o   17.203   1.5515   40.363   7.0917   51.039   9.5697   27.357   10.562   19.302   1.8694   13.839   2.9326 5.462605 3.477771 
1 1 1   17    3   47 o   17.498   1.4660   41.695   6.8267   37.401   9.5229   46.234   9.7914   16.415   2.2166   18.325   2.0231 -1.909666 3.000989 
1 1 1   17    3   48 o   66.642   0.8927  598.024   15.979  589.572   21.835  607.769   23.445   66.090   1.2301   67.081   1.3013 -0.9919281 1.790620 
1 1 1   17    3   49 o   15.793   1.8067   34.295   7.5262   37.547   11.411   31.792   10.013   16.320   2.6974   15.020   2.5747 1.300130 3.728927 
1 1 1   17    3   50 o   39.528   0.9499  210.510   10.085  203.647   14.830  216.412   13.754   38.802   1.4230   40.027   1.2793 -1.225033 1.913544 
1 1 1   17    3   51 o   23.607   1.2919   75.541   8.1605   84.542   11.968   67.720   11.156   24.872   1.8038   22.227   1.8865 2.644815 2.610094 
1 1 1   17    3   52 o   25.066   1.4925   85.489   10.003   91.232   12.913   76.871   15.818   25.803   1.8761   23.470   2.5503 2.332891 3.166011 
1 1 1   17    3   53 o   30.128   1.1469  122.706   9.2803  123.831   13.580  121.721   12.712   30.105   1.6862   29.875   1.5899 0.2301273 2.317577 
1 1 1   17    3   54 o   34.678   1.0927  162.643   10.178  157.088   15.512  166.843   13.487   33.867   1.7108   35.034   1.4333 -1.167076 2.231904 
1 1 1   17    3   55 o   22.232   1.5620   67.818   9.2681   68.725   13.308   66.964   12.915   22.125   2.2716   21.854   2.2316 0.2715988 3.184363 
1 1 1   17    3   56 o   19.663   1.8796   53.841   9.8059   64.736   12.941   39.150   15.027   21.403   2.2865   16.002   3.5851 5.400759 4.252199 
1 1 1   17    3   57 o   5.6902   2.5760  -3.6879   8.4574  -8.5918   12.095   1.0034   11.830   6.3327   2.9441   7.4927   3.2311 -1.160008 4.371223 
1 1 1   17    4  -55 f   15.436   4.4103   37.996   19.197   5.5130   25.440   80.950   29.254   10.920   4.7234   22.185   5.0260 -11.26516 6.897220 
1 1 1   17    4  -54 o   23.389   3.1851   79.488   19.489   0.0000   0.0000   79.488   19.489  ?   ?    23.389   3.1851 0.000000 3.185057 
1 1 1   17    4  -53 o   14.955   2.9891   32.520   11.587   40.505   17.217   25.909   15.666   16.361   3.9605   13.187   4.0410 3.173576 5.658208 
1 1 1   17    4  -52 f   21.035   2.2681   61.530   12.611   72.780   18.554   51.868   17.194   22.566   3.1468   18.841   3.5272 3.724649 4.726913 
1 1 1   17    4  -51 o   15.797   1.6734   34.269   6.9919   37.519   9.2783   29.998   10.636   16.424   2.1554   14.474   2.8373 1.949531 3.563165 
1 1 1   17    4  -50 o   39.854   0.9974  214.109   10.676  219.117   17.938  211.362   13.286   40.184   1.6620   39.555   1.2505 0.6287079 2.079944 
1 1 1   17    4  -49 o   7.4685   2.7035   6.4645   6.9744   27.642   12.728  -2.6236   8.3377   13.797   3.4451   5.9290   2.6298 7.867816 4.334063 
1 1 1   17    4  -48 o   13.333   1.9693   24.692   6.8402   25.077   13.333   24.555   7.9689   13.157   3.6465   13.214   2.3305 -0.5603600E-01 4.327635 
1 1 1   17    4  -47 o   15.893   1.8283   34.745   7.6625 -30.2000   37.367   37.596   7.8289   10.853   5.0875   16.548   1.7899 -5.695436 5.393231 
1 1 1   17    4  -46 o   40.871   0.9267  224.971   10.173  209.015   18.124  232.309   12.291   39.259   1.7188   41.508   1.1025 -2.248478 2.042010 
1 1 1   17    4  -45 o   24.344   1.1645   79.925   7.6138   99.334   13.980   71.741   9.0783   26.970   1.9429   22.987   1.4782 3.982365 2.441334 
1 1 1   17    4  -44 o   40.236   1.1182  218.210   12.084  202.250   16.705  235.731   17.503   38.661   1.6087   41.748   1.5609 -3.086777 2.241525 
1 1 1   17    4  -43 o   26.206   1.3802   92.950   9.6807   98.434   13.663   87.422   13.718   26.878   1.9050   25.296   2.0363 1.582571 2.788443 
1 1 1   17    4  -42 o   46.218   1.0592  287.659   13.149  296.241   18.727  279.316   18.465   46.840   1.4885   45.479   1.5117 1.361588 2.121526 
1 1 1   17    4  -41 o   60.226   1.0973  488.439   17.750  502.810   23.957  470.948   26.429   61.041   1.4612   59.033   1.6668 2.008392 2.216624 
1 1 1   17    4  -40 o   23.873   1.5936   77.289   10.160   80.458   13.020   72.355   16.247   24.291   2.0137   22.886   2.6947 1.405556 3.363996 
1 1 1   17    4  -39 o   7.9588   3.0290   6.1453   8.9632  -8.2165   15.546   13.297   10.970   7.7079   3.4907   10.135   3.4087 -2.427556 4.878933 
1 1 1   17    4  -38 o   56.697   1.2076  432.903   18.390  417.184   26.217  448.129   25.802   55.573   1.7564   57.614   1.6674 -2.040794 2.421825 
1 1 1   17    4  -37 o   15.375   2.0908   32.565   8.4102   30.351   11.718   34.916   12.078   14.646   3.0766   15.756   2.9629 -1.109663 4.271322 
1 1 1   17    4  -36 o   7.1718   2.8414   3.8067   8.1366   17.965   12.977  -5.3646   10.445   11.552   3.6980   6.3765   2.8769 5.175401 4.685283 
1 1 1   17    4  -35 o   45.297   1.1631  276.094   14.151  261.529   17.206  306.538   24.876   44.061   1.4539   47.644   1.9439 -3.583057 2.427421 
1 1 1   17    4  -34 o   56.232   0.9797  425.180   14.796  420.342   20.952  429.993   20.898   55.875   1.3961   56.515   1.3767 -0.6397667 1.960725 
1 1 1   17    4  -33 o   11.450   2.4819   18.412   7.4125   23.643   10.463   13.141   10.503   12.943   3.0584   10.072   3.3341 2.870450 4.524382 
1 1 1   17    4  -32 o   81.224   1.0571  887.025   23.061  884.602   32.573  889.459   32.654   81.066   1.4960   81.288   1.4956 -0.2222824 2.115376 
1 1 1   17    4  -31 o   60.758   0.9786  496.208   15.970  502.361   22.577  490.046   22.593   61.107   1.3756   60.352   1.3938 0.7550850 1.958258 
1 1 1   17    4  -30 o   9.3451   2.6668   12.082   7.0234   12.114   9.5287   12.044   10.393   9.6652   3.1746   9.7881   3.3176 -0.1229897 4.591837 
1 1 1   17    4  -29 o   80.483   1.0425  870.657   22.537  872.093   31.877  869.222   31.866   80.515   1.4741   80.382   1.4760 0.1328430 2.085993 
1 1 1   17    4  -28 o  117.763   1.3810  1865.07   43.681  1833.20   57.176  1909.76   67.697  116.691   1.8242  119.051   2.1171 -2.360664 2.794630 
1 1 1   17    4  -27 o   58.605   1.3630  461.848   21.455  487.008   30.619  437.580   30.071   60.144   1.8954   57.005   1.9640 3.138996 2.729468 
1 1 1   17    4  -26 o  122.956   1.5352  2033.39   50.700  1987.52   86.643  2057.28   62.521  121.376   2.6577  123.628   1.8828 -2.252083 3.257083 
1 1 1   17    4  -25 o   61.856   0.9596  514.125   15.942  522.828   22.588  505.485   22.504   62.361   1.3485   61.317   1.3665 1.043877 1.919835 
1 1 1   17    4  -24 o   51.714   1.0153  359.356   14.102  373.037   18.605  340.884   21.618   52.680   1.3149   50.347   1.5987 2.332687 2.069971 
1 1 1   17    4  -23 o   34.563   1.0138  160.514   9.4114  171.388   13.400  149.927   13.222   35.707   1.3972   33.395   1.4741 2.312077 2.031001 
1 1 1   17    4  -22 o   89.784   1.5221  1083.68   36.707  1037.17   50.948  1133.88   52.930   87.790   2.1607   91.793   2.1469 -4.002983 3.045906 
1 1 1   17    4  -21 o   31.002   1.4812  129.186   12.334  132.763   17.450  125.615   17.434   31.346   2.0846   30.481   2.1432 0.8647900 2.989760 
1 1 1   17    4  -20 o  124.051   1.3282  2067.92   44.255  2025.31   61.808  2112.75   63.394  122.728   1.8750  125.348   1.8829 -2.620506 2.657288 
1 1 1   17    4  -19 o   84.898   1.0522  968.311   23.993  959.382   33.817  977.362   34.047   84.491   1.4902   85.279   1.4864 -0.7882156 2.104770 
1 1 1   17    4  -18 o   78.173   1.0056  820.929   21.114  816.721   29.743  825.203   29.977   77.961   1.4204   78.364   1.4242 -0.4036484 2.011491 
1 1 1   17    4  -17 o   55.519   0.9157  414.037   13.655  411.613   19.241  416.496   19.382   55.350   1.2943   55.677   1.2961 -0.3273239 1.831626 
1 1 1   17    4  -16 o  118.642   1.2816  1891.12   40.841  1885.25   57.607  1897.04   57.909  118.433   1.8110  118.803   1.8148 -0.3694534 2.563807 
1 1 1   17    4  -15 o  137.588   1.4323  2543.52   52.932  2544.44   74.830  2542.61   74.883  137.580   2.0250  137.530   2.0272 0.4968262E-01 2.865338 
1 1 1   17    4  -14 o   67.057   1.0808  604.034   19.465  610.010   27.784  598.273   27.279   67.379   1.5353   66.728   1.5221 0.6510849 2.161866 
1 1 1   17    4  -13 o  160.199   1.4432  3448.04   62.097  3416.63   79.533  3497.08   99.383  159.445   1.8571  161.281   2.2942 -1.835678 2.951681 
1 1 1   17    4  -12 o  164.022   1.3409  3614.25   59.073  3622.07   83.609  3606.46   83.474  164.170   1.8961  163.816   1.8972 0.3542633 2.682266 
1 1 1   17    4  -11 o  310.109   2.4158 12929.12  201.219 12798.57  282.593 13063.38  286.580  308.372   3.4119  311.543   3.4248 -3.171295 4.834289 
1 1 1   17    4  -10 o  129.713   1.1515  2260.13   40.118  2224.45   58.933  2290.95   54.767  128.667   1.7053  130.581   1.5615 -1.914612 2.312232 
1 1 1   17    4   -9 o   53.420   0.8360  383.283   11.995  404.341   17.257  363.602   16.683   54.865   1.1711   52.027   1.1939 2.837547 1.672346 
1 1 1   17    4   -8 o  285.411   2.3294 10949.61  178.567 10990.29  265.369 10915.95  241.394  285.784   3.4572  284.864   3.1550 0.9205322 4.680368 
1 1 1   17    4   -7 o  141.486   1.2380  2689.03   47.047  2626.90   68.906  2743.29   64.394  139.821   1.8348  142.891   1.6778 -3.070526 2.486282 
1 1 1   17    4   -6 o  137.396   1.2084  2535.80   44.594  2530.81   60.238  2541.85   66.334  137.248   1.6341  137.541   1.7956 -0.2928619 2.427843 
1 1 1   17    4   -5 o  149.684   1.3582  3009.79   54.606  2940.66   69.589  3120.57   88.092  147.941   1.7513  152.380   2.1524 -4.439713 2.774844 
1 1 1   17    4   -4 o  211.533   1.8440  6012.34  104.769  6021.01  135.427  5999.43  165.342  211.648   2.3823  211.222   2.9144 0.4253998 3.764201 
1 1 1   17    4   -3 o  200.450   1.7556  5398.54   94.520  5440.84  122.645  5336.66  148.333  201.202   2.2695  199.228   2.7720 1.973999 3.582531 
1 1 1   17    4   -2 o   99.914   1.0540  1340.87   28.286  1337.89   34.632  1346.83   49.023   99.799   1.2920  100.119   1.8230 -0.3201599 2.234427 
1 1 1   17    4   -1 o  193.781   2.0353  5046.08  105.931  5137.72  163.583  4979.91  139.016  195.451   3.1161  192.461   2.6892 2.989334 4.116070 
1 1 1   17    4    0 o  118.565   1.1887  1888.27   37.855  1930.24   46.973  1810.52   63.937  119.869   1.4590  116.074   2.0508 3.794807 2.516855 
1 1 1   17    4    1 o  190.044   1.7652  4852.60   90.104  4844.02  120.686  4863.40  135.440  189.841   2.3669  190.200   2.6512 -0.3589935 3.554016 
1 1 1   17    4    2 o  114.586   1.4218  1763.84   43.757  1766.63   53.716  1758.33   75.440  114.668   1.7441  114.372   2.4558 0.2955704 3.012091 
1 1 1   17    4    3 o  194.538   1.6292  5084.48   85.125  5111.57  115.661  5052.46  125.740  195.023   2.2081  193.878   2.4146 1.144958 3.272012 
1 1 1   17    4    4 o  179.267   1.4511  4317.22   69.871  4422.42  100.244  4217.83   97.439  181.408   2.0574  177.163   2.0477 4.245407 2.902732 
1 1 1   17    4    5 o   40.974   0.7592  225.482   8.3548  222.197   11.627  228.989   12.014   40.672   1.0643   41.289   1.0833 -0.6168480 1.518653 
1 1 1   17    4    6 o   96.409   0.8923  1248.40   23.105  1249.10   32.671  1247.69   32.680   96.430   1.2614   96.376   1.2625 0.5453491E-01 1.784638 
1 1 1   17    4    7 o  165.911   1.3557  3697.78   60.415  3788.06   86.653  3612.38   84.275  167.898   1.9215  163.959   1.9137 3.939056 2.711905 
1 1 1   17    4    8 o  155.440   1.2825  3245.68   53.543  3259.38   75.898  3232.10   75.545  155.746   1.8144  155.093   1.8135 0.6529541 2.565290 
1 1 1   17    4    9 o  256.626   2.2102  8851.76  152.345  8966.68  217.147  8740.37  213.791  258.176   3.1314  254.898   3.1227 3.277710 4.422347 
1 1 1   17    4   10 o   22.596   0.9050   68.577   5.4925   70.885   7.7074   66.196   7.8293   22.937   1.2558   22.159   1.3215 0.7782288 1.823044 
1 1 1   17    4   11 o  106.535   1.0018  1524.49   28.666  1528.86   42.454  1520.83   38.865  106.675   1.4817  106.398   1.3600 0.2769318 2.011204 
1 1 1   17    4   12 o   96.530   0.9404  1251.59   24.382  1268.27   33.153  1231.94   35.981   97.164   1.2704   95.759   1.3990 1.405273 1.889691 
1 1 1   17    4   13 o   71.961   0.8527  695.531   16.481  700.186   23.298  690.869   23.317   72.196   1.2015   71.713   1.2105 0.4821548 1.705559 
1 1 1   17    4   14 o  178.326   1.5859  4273.01   75.957  4226.21  106.437  4321.58  108.430  177.298   2.2351  179.286   2.2517 -1.987808 3.172670 
1 1 1   17    4   15 o   57.623   0.8851  445.996   13.699  468.898   17.399  408.642   22.220   59.081   1.0964   55.147   1.5001 3.933430 1.858115 
1 1 1   17    4   16 o  137.895   1.3494  2554.82   49.980  2555.19   66.920  2554.36   75.158  137.880   1.8070  137.843   2.0300 0.3727722E-01 2.717781 
1 1 1   17    4   17 o  155.223   1.5750  3237.95   65.663  3271.52   93.128  3204.76   92.598  155.974   2.2230  154.373   2.2332 1.600647 3.151048 
1 1 1   17    4   18 o  166.941   1.4976  3745.24   67.152  3751.46   86.825  3735.97  105.936  167.043   1.9352  166.652   2.3667 0.3908844 3.057159 
1 1 1   17    4   19 o   55.071   0.8843  407.405   13.081  401.025   15.066  426.939   26.364   54.636   1.0267   56.356   1.7417 -1.719540 2.021780 
1 1 1   17    4   20 o   24.810   0.9044   82.685   6.0266   82.811   8.1938   82.538   8.8952   24.825   1.2289   24.747   1.3433 0.7871628E-01 1.820600 
1 1 1   17    4   21 o   69.595   0.7755  650.602   14.496  639.856   20.292  661.803   20.716   69.009   1.0948   70.183   1.0990 -1.173370 1.551219 
1 1 1   17    4   22 o  154.692   1.3417  3216.18   55.744  3242.71   75.697  3184.76   82.397  155.277   1.8150  153.860   1.9939 1.416733 2.696244 
1 1 1   17    4   23 o   75.466   0.9255  765.148   18.759  776.073   25.134  751.409   28.185   75.990   1.2314   74.765   1.4035 1.225548 1.867176 
1 1 1   17    4   24 o  142.293   1.2563  2721.46   48.016  2721.71   64.861  2721.17   71.423  142.250   1.6976  142.212   1.8699 0.3764343E-01 2.525519 
1 1 1   17    4   25 o  100.101   1.0232  1346.51   27.511  1346.91   35.371  1345.90   43.768  100.095   1.3157  100.031   1.6290 0.6467438E-01 2.093981 
1 1 1   17    4   26 o   48.877   0.7576  320.949   9.9461  321.932   13.450  319.762   14.775   48.944   1.0231   48.776   1.1278 0.1687660 1.522732 
1 1 1   17    4   27 o   84.454   0.8838  958.380   20.048  951.106   26.993  967.328   29.938   84.114   1.1948   84.819   1.3141 -0.7054596 1.776097 
1 1 1   17    4   28 o   58.768   0.8009  464.038   12.642  474.379   17.859  453.651   17.899   59.406   1.1192   58.092   1.1471 1.313740 1.602683 
1 1 1   17    4   29 o   24.929   0.8996   83.516   6.0239   76.247   8.3182   91.531   8.7352   23.776   1.3076   26.091   1.2465 -2.315041 1.806557 
1 1 1   17    4   30 o   99.330   0.9348  1326.02   24.939  1339.56   35.318  1312.54   35.220   99.799   1.3176   98.786   1.3274 1.012703 1.870288 
1 1 1   17    4   31 o   41.558   0.7672  232.068   8.5633  231.624   12.073  232.518   12.148   41.507   1.0829   41.587   1.0876 -0.7987976E-01 1.534778 
1 1 1   17    4   32 o  110.280   1.0493  1635.13   31.080  1615.75   45.840  1651.62   42.282  109.549   1.5579  110.782   1.4210 -1.232635 2.108616 
1 1 1   17    4   33 o   60.734   0.8978  495.822   14.645  508.708   25.556  489.521   17.871   61.461   1.5481   60.332   1.1028 1.129101 1.900741 
1 1 1   17    4   34 o   71.457   0.8795  686.429   16.879  714.114   26.695  667.988   21.788   72.832   1.3646   70.466   1.1512 2.366722 1.785335 
1 1 1   17    4   35 o   49.572   0.8528  330.366   11.355  317.173   15.736  344.699   16.401   48.546   1.2068   50.609   1.2066 -2.062721 1.706538 
1 1 1   17    4   36 o   32.203   0.9034  139.454   7.8138  149.689   11.497  130.667   10.652   33.341   1.2838   31.152   1.2731 2.189693 1.808036 
1 1 1   17    4   37 o   40.537   0.8454  220.957   9.2048  215.001   13.323  226.398   12.732   39.957   1.2414   41.010   1.1559 -1.052814 1.696230 
1 1 1   17    4   38 o   41.690   0.8957  233.772   10.029  230.407   13.101  238.536   15.588   41.366   1.1791   42.069   1.3795 -0.7029877 1.814798 
1 1 1   17    4   39 o   30.088   1.0301  121.831   8.3243  133.796   11.812  110.025   11.733   31.502   1.3960   28.515   1.5376 2.987846 2.076827 
1 1 1   17    4   40 o   26.591   1.0255   95.173   7.3246  102.591   9.6733   85.203   11.214   27.589   1.3054   25.059   1.6758 2.530626 2.124198 
1 1 1   17    4   41 o   57.296   0.8062  441.515   12.406  426.016   17.073  458.856   18.059   56.241   1.1302   58.366   1.1520 -2.124241 1.613795 
1 1 1   17    4   42 o   48.980   0.8158  322.699   10.733  321.743   14.928  323.721   15.441   48.870   1.1373   49.015   1.1729 -0.1450386 1.633750 
1 1 1   17    4   43 o   32.190   0.9362  139.482   8.0942  127.556   11.046  153.312   11.895   30.746   1.3376   33.710   1.3138 -2.964373 1.874843 
1 1 1   17    4   44 o   23.192   1.2638   72.786   7.8429   72.860   10.885   72.705   11.310   23.122   1.7661   23.083   1.8396 0.3898239E-01 2.550107 
1 1 1   17    4   45 o   43.173   0.9249  250.988   10.725  264.570   14.152  232.665   16.438   44.287   1.1898   41.481   1.4754 2.805538 1.895330 
1 1 1   17    4   46 o   47.744   0.9973  307.137   12.789  298.597   15.745  323.696   21.924   47.032   1.2464   48.870   1.6703 -1.837288 2.084065 
1 1 1   17    4   47 o   31.471   1.0540  133.517   8.9097  139.532   12.232  126.718   13.004   32.124   1.4177   30.546   1.5905 1.577667 2.130611 
1 1 1   17    4   48 o   37.937   0.9631  193.899   9.8136  204.929   13.558  181.760   14.223   38.951   1.2959   36.657   1.4446 2.293518 1.940701 
1 1 1   17    4   49 o   47.693   0.8714  306.289   11.163  305.406   15.651  307.202   15.925   47.561   1.2252   47.697   1.2431 -0.1359024 1.745376 
1 1 1   17    4   50 o   33.929   1.0605  155.260   9.6646  152.281   12.327  160.013   15.569   33.555   1.3677   34.333   1.6884 -0.7782326 2.172846 
1 1 1   17    4   51 o   5.4479   2.4642  -3.9637   7.7207  -3.4759   10.550  -4.5261   11.328   6.6051   2.9423   6.7266   3.0188 -0.1215596 4.215514 
1 1 1   17    4   52 f   36.563   1.1560  180.681   11.352  167.949   16.635  191.777   15.530   35.058   1.7724   37.577   1.5387 -2.518642 2.347162 
1 1 1   17    4   53 o   11.300   2.8408   18.599   8.6127   26.342   12.092   10.627   12.270   13.335   3.3737   9.5285   3.5620 3.806176 4.906031 
1 1 1   17    4   54 o   25.531   1.3348   88.797   9.1214   91.994   14.154   86.527   11.928   25.738   2.0649   25.062   1.7837 0.6753674 2.728615 
1 1 1   17    4   55 f   37.435   1.1182  189.997   11.243  208.248   18.653  179.582   14.091   38.907   1.7850   36.279   1.4461 2.627975 2.297238 
1 1 1   17    4   56 o   13.507   2.5508   26.621   8.9144   15.533   12.821   36.999   12.403   10.459   3.6790   15.752   3.0417 -5.292891 4.773567 
1 1 1   17    4   57 o   20.150   2.0394   57.335   10.885   58.421   18.969   56.802   13.291   19.264   3.8013   19.785   2.5614 -0.5210171 4.583696 
1 1 1   17    5  -55 o   20.615   5.3231   73.160   29.678   0.0000   0.0000   73.160   29.678  ?   ?    20.615   5.3231 0.000000 5.323081 
1 1 1   17    5  -54 o   7.9958   3.6251  -6.2027   16.821   0.0000   0.0000  -6.2027   16.821  ?   ?    7.9958   3.6251 0.000000 3.625137 
1 1 1   17    5  -53 o   27.485   2.0106  104.550   14.740  104.710   20.646  104.384   21.051   27.094   2.8813   27.014   2.9492 0.7939148E-01 4.123059 
1 1 1   17    5  -52 o   24.377   1.9413   81.902   12.605  104.670   18.150   60.690   17.518   27.360   2.4974   20.453   3.3014 6.906929 4.139578 
1 1 1   17    5  -51 o   38.602   1.5281  202.279   15.844  187.480   21.544  219.711   23.382   36.899   2.1835   39.953   2.1872 -3.054047 3.090585 
1 1 1   17    5  -50 o   49.955   0.9783  336.445   13.126  348.703   21.705  329.377   16.481   50.693   1.5941   49.368   1.2430 1.324982 2.021444 
1 1 1   17    5  -49 o   21.385   1.4230   62.151   8.1267   60.795   14.409   62.783   9.8415   20.856   2.6307   21.435   1.7239 -0.5797329 3.145281 
1 1 1   17    5  -48 o   24.749   1.4960   83.212   9.8980   86.965   14.212   79.676   13.793   25.160   2.1229   24.067   2.1567 1.093739 3.026212 
1 1 1   17    5  -47 o   18.497   2.2495   47.415   10.945   58.103   21.009   43.433   12.823   19.911   4.0659   17.538   2.8177 2.373283 4.946759 
1 1 1   17    5  -46 o   30.127   1.4848  122.821   12.015   96.888   19.610  138.406   15.203   26.364   2.8128   31.880   1.7826 -5.515726 3.330066 
1 1 1   17    5  -45 o   29.690   1.3119  119.058   10.462  108.435   14.649  130.117   14.945   28.173   1.9479   30.907   1.8082 -2.734659 2.657785 
1 1 1   17    5  -44 o   27.132   1.5598   99.944   11.319  109.753   14.301   83.491   18.520   28.368   1.8877   24.463   2.8734 3.904732 3.437963 
1 1 1   17    5  -43 o   24.974   1.4350   84.532   9.5849   85.274   13.199   83.704   13.942   24.980   1.9835   24.717   2.1206 0.2631283 2.903676 
1 1 1   17    5  -42 o   68.345   1.0583  629.165   19.427  630.712   27.462  627.615   27.486   68.328   1.4964   68.159   1.5014 0.1692963 2.119765 
1 1 1   17    5  -41 o   17.875   1.8006   43.678   8.5273   30.219   11.770   58.549   12.372   14.566   3.1033   20.630   2.2702 -6.064049 3.845054 
1 1 1   17    5  -40 o   51.728   1.0831  360.303   15.048  352.932   20.004  369.911   22.841   51.141   1.4563   52.326   1.6252 -1.184864 2.182207 
1 1 1   17    5  -39 o   43.961   1.1346  260.252   13.397  268.787   17.546  248.322   20.746   44.636   1.4636   42.852   1.8024 1.783268 2.321831 
1 1 1   17    5  -38 f   22.601   1.7201   69.406   10.364   62.598   17.809   72.893   12.744   21.138   3.2400   23.106   2.0756 -1.968086 3.847842 
1 1 1   17    5  -37 o   66.492   1.2124  595.430   21.652  581.736   30.624  609.117   30.617   65.626   1.7374   67.162   1.6972 -1.535507 2.428829 
1 1 1   17    5  -36 o   62.420   1.2580  524.733   21.091  511.841   32.488  534.124   27.729   61.523   1.9660   62.914   1.6409 -1.390507 2.560859 
1 1 1   17    5  -35 o   9.1840   2.9162   11.295   8.0828   14.397   12.849   9.2633   10.398   10.705   3.6876   9.0658   3.2980 1.638803 4.947212 
1 1 1   17    5  -34 o   44.110   1.1538  261.816   13.670  259.853   16.683  265.828   23.845   43.923   1.4142   44.359   2.0013 -0.4363937 2.450553 
1 1 1   17    5  -33 o   42.587   1.0058  243.893   11.505  250.026   16.290  237.790   16.251   43.092   1.4074   42.021   1.4399 1.070202 2.013483 
1 1 1   17    5  -32 o   21.364   1.4152   61.706   8.0746   62.279   11.225   61.091   11.624   21.396   1.9756   21.176   2.0702 0.2202816 2.861619 
1 1 1   17    5  -31 o   30.396   1.1261  124.247   9.1936  116.506   12.843  132.383   13.166   29.367   1.6347   31.356   1.5633 -1.989145 2.261906 
1 1 1   17    5  -30 o   91.936   1.1166  1136.45   27.573  1144.22   39.097  1128.76   38.892   92.194   1.5789   91.569   1.5813 0.6251678 2.234595 
1 1 1   17    5  -29 o  115.806   1.2788  1803.66   39.777  1784.52   55.802  1823.42   56.715  115.108   1.8049  116.354   1.8148 -1.245987 2.559511 
1 1 1   17    5  -28 o   80.142   1.0383  863.310   22.350  870.929   31.629  855.712   31.586   80.460   1.4636   79.753   1.4745 0.7070465 2.077578 
1 1 1   17    5  -27 o   32.682   1.1231  143.579   9.8584  152.205   13.031  132.035   15.075   33.639   1.4423   31.265   1.8029 2.373699 2.308778 
1 1 1   17    5  -26 o   35.592   1.5947  170.438   15.245  163.978   19.285  181.200   24.893   34.828   2.0709   36.559   2.5510 -1.730518 3.285815 
1 1 1   17    5  -25 o   31.019   1.2499  129.352   10.414  109.002   17.624  140.268   12.908   28.342   2.3359   32.294   1.4882 -3.951851 2.769687 
1 1 1   17    5  -24 o   97.025   1.1350  1265.26   29.578  1243.78   41.433  1287.58   42.237   96.160   1.6042   97.838   1.6073 -1.678268 2.270866 
1 1 1   17    5  -23 o   50.202   0.9340  338.620   12.594  322.164   17.545  356.112   18.089   48.954   1.3344   51.470   1.3085 -2.515709 1.868856 
1 1 1   17    5  -22 o   19.935   1.3940   53.682   7.4167   59.248   10.399   47.919   10.581   20.902   1.8721   18.746   2.1398 2.155449 2.843155 
1 1 1   17    5  -21 o   57.602   0.9432  445.777   14.592  450.390   20.664  441.190   20.609   57.887   1.3291   57.293   1.3392 0.5946274 1.886796 
1 1 1   17    5  -20 o  156.159   2.2529  3281.99   94.493  3221.22  132.174  3345.52  135.143  154.539   3.1843  157.491   3.1948 -2.951385 4.510736 
1 1 1   17    5  -19 o   14.578   2.1504   29.207   8.1672   37.465   14.421   25.307   9.9095   16.366   3.3921   13.455   2.8316 2.911113 4.418643 
1 1 1   17    5  -18 o   37.540   0.9754  189.323   9.8349  204.752   14.000  174.290   13.819   39.034   1.3353   36.012   1.4287 3.022148 1.955580 
1 1 1   17    5  -17 o   20.865   1.3566   58.746   7.5614   53.834   10.630   63.778   10.758   19.907   2.0159   21.700   1.8639 -1.793482 2.745509 
1 1 1   17    5  -16 o  119.826   1.2914  1929.21   41.563  1935.68   58.856  1922.77   58.702  119.997   1.8261  119.596   1.8274 0.4011230 2.583459 
1 1 1   17    5  -15 o   21.798   1.0044   63.831   5.8806   60.102   7.0585   72.295   10.632   21.113   1.2503   23.128   1.7240 -2.014898 2.129609 
1 1 1   17    5  -14 o   98.088   0.9981  1292.42   26.294  1311.24   33.908  1264.02   41.646   98.791   1.2779   96.985   1.5987 1.806808 2.046679 
1 1 1   17    5  -13 o  123.132   1.1634  2036.78   38.476  2030.60   54.126  2043.10   54.706  122.925   1.6393  123.302   1.6518 -0.3770599 2.327244 
1 1 1   17    5  -12 o  177.887   1.4409  4251.64   68.846  4265.55   97.484  4237.79   97.243  178.135   2.0375  177.554   2.0391 0.5806122 2.882569 
1 1 1   17    5  -11 f  151.353   1.2538  3077.47   50.969  3082.29   72.112  3072.66   72.050  151.445   1.7728  151.208   1.7740 0.2369232 2.507992 
1 1 1   17    5  -10 o   40.052   0.7401  215.458   7.9612  202.292   11.833  226.347   10.761   38.806   1.1353   41.050   0.9760 -2.243954 1.497136 
1 1 1   17    5   -9 o  188.338   1.6610  4766.26   84.022  4691.03  131.572  4818.06  109.185  186.768   2.6228  189.323   2.1472 -2.555054 3.389619 
1 1 1   17    5   -8 o  117.478   1.2549  1854.00   39.597  1825.97   64.067  1871.32   50.369  116.557   2.0465  118.015   1.5891 -1.457359 2.590963 
1 1 1   17    5   -7 o   55.423   0.8228  412.573   12.248  397.640   18.282  424.731   16.497   54.406   1.2511   56.231   1.0923 -1.824757 1.660813 
1 1 1   17    5   -6 o  128.888   1.2735  2231.58   44.085  2250.06   59.381  2208.89   65.803  129.405   1.7085  128.207   1.9109 1.197983 2.563293 
1 1 1   17    5   -5 o   62.255   0.8445  520.558   14.122  505.047   18.884  540.237   21.270   61.317   1.1466   63.416   1.2487 -2.098843 1.695319 
1 1 1   17    5   -4 o  141.665   1.3706  2696.06   52.153  2681.73   78.113  2707.59   70.054  141.259   2.0588  141.949   1.8374 -0.6900482 2.759495 
1 1 1   17    5   -3 o  132.173   1.1722  2346.67   41.613  2400.90   70.001  2317.03   51.749  133.663   1.9499  131.327   1.4671 2.336365 2.440145 
1 1 1   17    5   -2 o  128.995   1.2709  2235.25   44.033  2131.73   64.538  2325.42   60.228  125.950   1.9078  131.556   1.7045 -5.605881 2.558291 
1 1 1   17    5   -1 o  236.939   1.9541  7544.28  124.360  7558.34  184.697  7532.62  168.201  237.066   2.9007  236.691   2.6458 0.3752747 3.926064 
1 1 1   17    5    0 o  101.888   0.9691  1394.37   26.520  1392.21   39.353  1396.16   35.896  101.799   1.4393  101.947   1.3109 -0.1473999 1.946803 
1 1 1   17    5    1 o   56.153   0.8723  423.516   13.156  417.105   16.634  434.224   21.498   55.724   1.1114   56.853   1.4078 -1.128357 1.793649 
1 1 1   17    5    2 o  192.340   1.8942  4971.31   97.854  5076.48  125.308  4806.94  156.656  194.328   2.4008  189.037   3.0854 5.290527 3.909387 
1 1 1   17    5    3 o  153.681   1.5589  3173.11   64.349  3156.36   81.076  3201.63  105.781  153.256   1.9696  154.315   2.5521 -1.059738 3.223790 
1 1 1   17    5    4 o  268.542   2.4324  9694.81  175.447  9632.25  234.355  9774.57  264.634  267.564   3.2610  269.468   3.6563 -1.904694 4.899290 
1 1 1   17    5    5 o  221.208   2.0292  6576.35  120.563  6692.61  163.454  6437.63  178.548  223.089   2.7279  218.763   3.0387 4.325989 4.083519 
1 1 1   17    5    6 o  106.282   1.2490  1517.41   35.654  1543.64   47.642  1484.02   53.756  107.185   1.6549  105.086   1.9045 2.098610 2.523059 
1 1 1   17    5    7 o  123.510   1.1717  2049.17   38.869  1985.64   53.930  2117.84   56.070  121.565   1.6517  125.546   1.6628 -3.981216 2.343698 
1 1 1   17    5    8 o  125.278   1.3237  2108.43   44.541  2134.77   56.645  2065.76   72.094  126.045   1.6732  123.968   2.1652 2.076744 2.736351 
1 1 1   17    5    9 o   99.286   1.0558  1324.15   28.155  1391.74   38.780  1248.81   40.942  101.779   1.4186   96.407   1.5811 5.372406 2.124245 
1 1 1   17    5   10 o  155.359   1.3419  3242.62   55.996  3284.52   76.311  3193.75   82.421  156.334   1.8174  154.148   1.9907 2.186050 2.695493 
1 1 1   17    5   11 f  178.644   1.5136  4288.05   72.628  4316.76   98.632  4254.04  107.342  179.204   2.0492  177.881   2.2467 1.323349 3.040862 
1 1 1   17    5   12 o  111.737   1.0891  1677.15   32.685  1684.81   46.125  1669.42   46.322  111.976   1.5336  111.463   1.5473 0.5130768 2.178545 
1 1 1   17    5   13 o   68.715   0.8854  634.230   16.341  642.551   21.685  623.295   24.859   69.159   1.1674   68.111   1.3588 1.048180 1.791453 
1 1 1   17    5   14 o   70.278   0.8816  663.424   16.640  656.781   24.668  668.970   22.541   69.917   1.3136   70.566   1.1893 -0.6486511 1.772018 
1 1 1   17    5   15 o   41.539   0.7393  231.765   8.2482  232.186   11.512  231.321   11.824   41.574   1.0309   41.496   1.0609 0.7785034E-01 1.479279 
1 1 1   17    5   16 o   70.846   0.7768  674.174   14.782  684.737   20.899  663.598   20.912   71.393   1.0899   70.282   1.1078 1.111061 1.554047 
1 1 1   17    5   17 o  149.304   1.2458  2995.16   49.960  2994.39   70.553  2995.94   70.756  149.247   1.7600  149.285   1.7646 -0.3822327E-01 2.492300 
1 1 1   17    5   18 o  144.656   1.3299  2811.93   51.671  2801.40   72.848  2822.59   73.302  144.340   1.8791  144.884   1.8837 -0.5444183 2.660652 
1 1 1   17    5   19 o   19.761   1.0918   52.624   5.7724   45.456   7.8403   61.109   8.5302   18.318   1.6099   21.269   1.5029 -2.951075 2.202324 
1 1 1   17    5   20 o   56.525   0.7678  429.187   11.656  424.650   15.557  434.993   17.600   56.219   1.0303   56.897   1.1517 -0.6773605 1.545275 
1 1 1   17    5   21 o  160.363   1.3241  3456.43   57.033  3460.16   80.623  3452.70   80.690  160.383   1.8716  160.210   1.8752 0.1733246 2.649344 
1 1 1   17    5   22 o   50.954   0.8026  348.787   10.984  356.061   15.450  341.353   15.619   51.474   1.1175   50.399   1.1538 1.075466 1.606259 
1 1 1   17    5   23 o   53.214   0.8091  380.431   11.564  370.946   14.542  396.748   19.073   52.540   1.0305   54.327   1.3071 -1.786537 1.664439 
1 1 1   17    5   24 o   82.652   0.8748  917.848   19.421  901.948   25.895  938.288   29.360   81.917   1.1769   83.542   1.3084 -1.625496 1.759882 
1 1 1   17    5   25 o   35.850   0.8017  172.673   7.7199  169.437   10.092  177.238   11.986   35.507   1.0582   36.310   1.2290 -0.8033752 1.621799 
1 1 1   17    5   26 o   80.391   0.8663  868.380   18.705  872.166   25.136  863.681   28.001   80.548   1.1618   80.146   1.3007 0.4026489 1.744084 
1 1 1   17    5   27 o   81.654   0.9482  896.020   20.795  910.993   28.152  878.039   30.850   82.311   1.2734   80.796   1.4216 1.514801 1.908502 
1 1 1   17    5   28 o   34.546   0.8078  160.362   7.4950  169.416   10.131  149.414   11.140   35.501   1.0624   33.334   1.2442 2.167236 1.636135 
1 1 1   17    5   29 o   69.391   0.8193  647.035   15.270  640.723   20.542  654.831   22.829   69.035   1.1078   69.783   1.2180 -0.7480240 1.646444 
1 1 1   17    5   30 o   77.126   0.8592  799.412   17.799  800.829   26.430  798.236   24.077   77.161   1.2753   77.046   1.1635 0.1149445 1.726290 
1 1 1   17    5   31 o   43.811   0.7879  257.940   9.2714  256.704   13.243  259.128   12.984   43.691   1.1285   43.898   1.1012 -0.2072411 1.576776 
1 1 1   17    5   32 o   54.180   0.7640  394.487   11.118  403.724   15.658  385.094   15.790   54.793   1.0639   53.511   1.0986 1.281483 1.529356 
1 1 1   17    5   33 o   15.177   1.3512   31.255   5.4506   37.080   7.3911   24.310   8.0703   16.500   1.6917   13.210   2.3611 3.289302 2.904621 
1 1 1   17    5   34 o   67.663   0.9345  615.631   16.983  620.050   25.468  612.093   22.789   67.851   1.3975   67.432   1.2582 0.4183273 1.880463 
1 1 1   17    5   35 o   12.430   1.8534   21.318   5.9988   22.471   8.6912   20.269   8.2901   12.632   2.6463   11.987   2.6457 0.6454859 3.742010 
1 1 1   17    5   36 o   45.614   0.8265  279.766   10.126  279.768   13.482  279.763   15.335   45.593   1.1010   45.578   1.2527 0.1499557E-01 1.667760 
1 1 1   17    5   37 o   65.573   0.9216  578.395   16.231  573.958   21.895  583.808   24.183   65.277   1.2488   65.815   1.3680 -0.5380630 1.852286 
1 1 1   17    5   38 f   7.6484   2.6532   7.1836   6.6570   9.0250   8.2398   3.7229   11.296   8.5328   2.9523   8.1107   3.3010 0.4220734 4.428586 
1 1 1   17    5   39 o   58.976   0.8017  467.740   12.700  463.340   17.626  472.490   18.314   58.660   1.1187   59.231   1.1512 -0.5717201 1.605247 
1 1 1   17    5   40 o   26.749   0.9873   96.306   7.0937  100.792   9.8174   91.404   10.261   27.340   1.3369   25.983   1.4765 1.357319 1.991815 
1 1 1   17    5   41 o   49.048   0.8088  323.589   10.655  333.558   15.015  313.475   15.124   49.761   1.1234   48.233   1.1674 1.527210 1.620158 
1 1 1   17    5   42 o   10.373   2.2600   15.200   6.1184   9.7484   8.2088   22.014   9.1776   8.7104   2.9485   12.435   2.8136 -3.724446 4.075528 
1 1 1   17    5   43 o   16.899   1.4489   38.863   6.5127   35.329   8.8539   43.028   9.6137   15.982   2.1144   17.675   2.0639 -1.692671 2.954760 
1 1 1   17    5   44 o   21.351   1.2237   61.710   6.9884   63.576   9.5633   59.571   10.237   21.602   1.6610   20.871   1.8452 0.7311172 2.482690 
1 1 1   17    5   45 o   12.789   2.0959   22.842   6.9500   28.140   10.214   18.273   9.4844   14.059   2.8031   11.299   3.0529 2.760228 4.144586 
1 1 1   17    5   46 o   24.031   1.1194   77.894   7.2256   79.804   9.5096   75.285   11.114   24.243   1.4673   23.484   1.7751 0.7592545 2.303043 
1 1 1   17    5   47 o   38.297   0.9880  197.642   10.163  209.609   11.823  163.775   19.890   39.420   1.1166   34.576   2.1524 4.844349 2.424828 
1 1 1   17    5   48 o   31.738   0.9438  135.709   8.0454  141.975   10.631  127.309   12.309   32.428   1.2205   30.667   1.4943 1.761108 1.929441 
1 1 1   17    5   49 o   53.695   0.9855  388.603   14.212  388.043   20.101  389.164   20.098   53.558   1.3973   53.635   1.3951 -0.7790375E-01 1.974556 
1 1 1   17    5   50 o   26.593   1.2665   95.599   9.0461   87.368   13.070  103.167   12.533   25.241   1.9428   27.502   1.7051 -2.261770 2.584937 
1 1 1   17    5   51 o   28.978   1.2676  113.610   9.8658  119.618   13.610  106.958   14.322   29.595   1.7196   27.921   1.9214 1.673956 2.578521 
1 1 1   17    5   52 o   40.257   1.1193  219.109   12.103  218.616   16.945  219.623   17.292   40.080   1.5740   40.163   1.6030 -0.8234406E-01 2.246586 
1 1 1   17    5   53 o   27.781   1.4399  105.271   10.707  101.852   16.092  107.988   14.344   27.032   2.2364   27.971   1.9209 -0.9391956 2.948071 
1 1 1   17    5   54 o   15.279   2.3713   33.309   9.4163   44.595   14.637   25.340   12.300   17.330   3.2643   12.944   3.4679 4.386148 4.762501 
1 1 1   17    5   55 o   46.803   1.3386  298.662   16.827  266.201   26.387  320.909   21.845   43.532   2.2646   48.305   1.6837 -4.772785 2.821967 
1 1 1   17    5   56 o   7.3287   3.1986  -0.0592   11.883   19.080   23.908  -6.3379   13.694   12.035   4.8363   7.0385   3.2216 4.996548 5.811062 
1 1 1   17    6  -54 o   23.793   3.1453   83.245   19.607   0.0000   0.0000   83.245   19.607  ?   ?    23.793   3.1453 0.000000 3.145276 
1 1 1   17    6  -53 o   7.3865   3.4556 -13.4427   17.089   0.0000   0.0000 -13.4427   17.089  ?   ?    7.3865   3.4556 0.000000 3.455583 
1 1 1   17    6  -52 o   26.496   2.0811   97.321   14.691  103.681   21.907   92.123   19.805   26.867   3.0922   25.377   2.9614 1.490202 4.281558 
1 1 1   17    6  -51 o   22.602   2.2520   71.053   13.490   47.107   21.046   87.750   17.574   17.520   4.4608   24.980   2.6602 -7.460539 5.193756 
1 1 1   17    6  -50 o   39.713   1.4691  213.872   15.670  216.784   22.268  211.015   22.056   39.733   2.0940   39.196   2.1027 0.5371399 2.967539 
1 1 1   17    6  -49 o   18.945   1.9258   49.406   9.6631   55.611   13.770   43.385   13.563   19.911   2.6401   17.435   3.0048 2.475431 3.999844 
1 1 1   17    6  -48 o   53.706   1.1999  389.468   17.308  387.981   22.364  391.689   27.332   53.505   1.5562   53.642   1.8971 -0.1369591 2.453659 
1 1 1   17    6  -47 f   29.164   1.3597  114.993   10.651  115.767   14.737  114.147   15.412   29.111   1.8950   28.879   1.9992 0.2325745 2.754631 
1 1 1   17    6  -46 o   15.229   2.7549   32.903   10.854   41.760   20.638   29.517   12.761   16.738   4.4954   14.262   3.3824 2.475286 5.625805 
1 1 1   17    6  -45 o   8.2523   3.1035   7.2039   9.3421 -12.8777   15.758   18.087   11.600   7.2278   3.3603   11.329   3.4783 -4.101282 4.836348 
1 1 1   17    6  -44 o   47.768   1.0893  307.660   13.976  317.298   19.851  298.189   19.680   48.417   1.5265   46.928   1.5614 1.489025 2.183604 
1 1 1   17    6  -43 o   39.055   1.2956  205.936   13.590  202.990   16.908  211.313   22.844   38.716   1.6260   39.316   2.1717 -0.6003990 2.712919 
1 1 1   17    6  -42 o   5.9900   2.6166  -1.4813   7.9670  -0.3836   10.925  -2.7280   11.643   7.2455   3.1147   7.1245   3.1363 0.1209793 4.420137 
1 1 1   17    6  -41 o   8.2003   2.9267   7.9822   8.1423   18.655   11.246  -3.7782   11.805   11.508   3.4015   7.0398   3.1255 4.468113 4.619356 
1 1 1   17    6  -40 o   6.5185   2.7117   1.4220   7.8462   4.9578   10.885  -2.4027   11.321   8.2118   3.2760   7.0811   3.1054 1.130712 4.513943 
1 1 1   17    6  -39 o   48.919   1.1950  322.433   15.701  334.682   19.333  298.703   26.909   49.801   1.4453   46.915   2.1355 2.885899 2.578588 
1 1 1   17    6  -38 o   36.144   1.1104  175.908   10.779  172.400   14.933  179.724   15.576   35.735   1.5558   36.482   1.5895 -0.7469330 2.224224 
1 1 1   17    6  -37 o   18.884   1.9749   48.791   9.8686   35.095   16.287   56.737   12.405   15.623   3.8949   20.315   2.3149 -4.692060 4.530846 
1 1 1   17    6  -36 f   14.282   2.4169   28.443   8.9402   7.4324   13.325   45.644   12.057   9.3390   3.6560   18.152   2.5427 -8.812817 4.453302 
1 1 1   17    6  -35 o   43.448   1.2704  254.260   14.825  249.300   22.945  257.814   19.425   42.931   1.9899   43.706   1.6547 -0.7752533 2.587976 
1 1 1   17    6  -34 o   27.586   1.3915  102.784   10.277   91.926   15.745  110.844   13.565   25.953   2.2819   28.600   1.7746 -2.647261 2.890738 
1 1 1   17    6  -33 o   47.805   1.1454  307.524   14.707  302.687   17.988  317.275   25.542   47.403   1.4128   48.464   1.9622 -1.060917 2.417907 
1 1 1   17    6  -32 o   37.511   1.0416  189.247   10.495  190.282   14.911  188.231   14.773   37.586   1.4770   37.383   1.4713 0.2026634 2.084807 
1 1 1   17    6  -31 o   77.383   1.0377  805.225   21.567  795.107   30.243  815.696   30.765   76.845   1.4653   77.833   1.4716 -0.9876938 2.076692 
1 1 1   17    6  -30 o   46.881   0.9823  295.474   12.369  295.670   17.289  295.268   17.704   46.873   1.3732   46.839   1.4072 0.3429794E-01 1.966248 
1 1 1   17    6  -29 o   33.340   1.0488  149.437   9.3915  145.049   13.158  153.994   13.409   32.828   1.4922   33.826   1.4759 -0.9979362 2.098824 
1 1 1   17    6  -28 o   69.055   0.9912  640.986   18.384  669.939   26.316  613.386   25.693   70.567   1.3884   67.521   1.4167 3.046577 1.983660 
1 1 1   17    6  -27 o   68.762   0.9890  635.512   18.265  625.944   25.617  645.408   26.051   68.214   1.3982   69.267   1.4002 -1.052284 1.978769 
1 1 1   17    6  -26 o   79.052   1.0346  839.956   21.968  812.629   30.541  869.252   31.622   77.722   1.4630   80.384   1.4646 -2.662056 2.070165 
1 1 1   17    6  -25 o  125.858   1.9174  2133.17   64.818  2100.95   90.561  2167.00   92.813  124.734   2.7031  126.673   2.7279 -1.939018 3.840363 
1 1 1   17    6  -24 o   24.747   1.6026   82.738   10.595   75.120   16.417   88.177   13.871   23.445   2.6537   25.505   2.0419 -2.060410 3.348366 
1 1 1   17    6  -23 o  118.302   1.2899  1881.58   40.987  1838.22   57.161  1927.47   58.803  116.868   1.8210  119.670   1.8295 -2.802277 2.581270 
1 1 1   17    6  -22 o  117.856   1.2848  1867.25   40.670  1872.02   57.509  1862.47   57.522  117.948   1.8153  117.646   1.8204 0.3020706 2.570844 
1 1 1   17    6  -21 o   73.991   0.9951  735.628   19.776  730.787   27.908  740.511   28.026   73.726   1.4093   74.216   1.4060 -0.4890900 1.990714 
1 1 1   17    6  -20 o   57.371   0.9429  442.223   14.530  436.368   20.472  448.166   20.625   56.977   1.3377   57.742   1.3298 -0.7654419 1.886279 
1 1 1   17    6  -19 f   74.082   1.2401  737.567   24.676  718.156   31.415  768.836   39.872   73.083   1.6004   75.595   1.9637 -2.511909 2.533266 
1 1 1   17    6  -18 o   83.401   1.2032  934.712   26.952  932.986   46.125  935.607   33.212   83.275   2.0622   83.428   1.4822 -0.1535110 2.539571 
1 1 1   17    6  -17 o  127.477   1.3537  2183.92   46.348  2162.03   65.038  2206.51   66.067  126.792   1.9098  128.089   1.9204 -1.296829 2.708338 
1 1 1   17    6  -16 o   66.195   0.9197  588.628   16.351  558.748   19.812  652.475   28.960   64.487   1.1438   69.673   1.5475 -5.185547 1.924363 
1 1 1   17    6  -15 o  145.058   1.4062  2827.68   54.788  2839.02   73.465  2813.48   82.239  145.311   1.8823  144.633   2.1170 0.6776581 2.832803 
1 1 1   17    6  -14 o   82.502   0.9012  914.331   19.969  889.991   27.887  939.943   28.607   81.386   1.2757   83.639   1.2734 -2.252861 1.802533 
1 1 1   17    6  -13 o   69.441   0.8800  647.718   16.414  627.717   24.343  664.392   22.226   68.350   1.3260   70.322   1.1767 -1.972176 1.772833 
1 1 1   17    6  -12 o   63.134   0.8166  535.391   13.848  541.468   19.735  529.497   19.436   63.486   1.1574   62.780   1.1526 0.7056351 1.633415 
1 1 1   17    6  -11 o  120.445   1.0456  1948.78   33.824  1985.62   53.170  1923.73   43.838  121.553   1.6286  119.656   1.3640 1.896950 2.124352 
1 1 1   17    6  -10 o  120.930   1.0494  1964.49   34.086  1958.54   52.898  1968.71   44.573  120.723   1.6314  121.048   1.3710 -0.3248215 2.130945 
1 1 1   17    6   -9 o   46.452   0.7373  289.821   9.1991  286.547   13.985  292.318   12.213   46.185   1.1274   46.650   0.9748 -0.4645538 1.490329 
1 1 1   17    6   -8 f   66.202   0.8736  588.677   15.533  601.848   23.521  578.491   20.685   66.931   1.3084   65.622   1.1736 1.309074 1.757612 
1 1 1   17    6   -7 f  150.161   1.4394  3029.52   58.054  2998.21   99.955  3045.46   71.315  149.314   2.4924  150.538   1.7638 -1.223969 3.053322 
1 1 1   17    6   -6 o   88.230   0.9303  1045.62   22.046  1045.46   40.394  1045.69   26.310   88.204   1.7051   88.229   1.1102 -0.2579498E-01 2.034660 
1 1 1   17    6   -5 o  126.457   1.1334  2148.14   38.495  2201.83   58.089  2106.10   51.402  128.006   1.6895  125.199   1.5286 2.806572 2.278404 
1 1 1   17    6   -4 o   91.061   0.9534  1113.81   23.318  1150.09   33.592  1080.08   32.394   92.524   1.3517   89.664   1.3451 2.860054 1.906946 
1 1 1   17    6   -3 o  237.612   2.0564  7588.77  131.240  7622.50  208.250  7566.55  169.031  237.984   3.2579  237.196   2.6532 0.7887573 4.201617 
1 1 1   17    6   -2 o   65.251   0.7753  571.852   13.587  597.620   20.799  552.671   17.945   66.699   1.1610   64.144   1.0416 2.555695 1.559741 
1 1 1   17    6   -1 o   75.994   0.9671  775.705   19.740  773.789   28.165  777.555   27.675   75.892   1.3817   76.077   1.3544 -0.1850357 1.934822 
1 1 1   17    6    0 o  198.428   1.6603  5290.65   88.488  5315.04  131.678  5270.57  119.489  198.819   2.4658  198.006   2.2468 0.8129883 3.335898 
1 1 1   17    6    1 o  113.465   1.1541  1729.42   35.173  1727.29   52.924  1731.09   47.073  113.376   1.7380  113.508   1.5440 -0.1318436 2.324770 
1 1 1   17    6    2 o  260.494   2.2423  9122.14  156.886  9105.78  221.575  9138.59  222.166  260.128   3.1713  260.596   3.1741 -0.4676819 4.486878 
1 1 1   17    6    3 o  227.719   2.0836  6970.15  127.441  6938.20  170.475  7010.63  191.874  227.116   2.7946  228.252   3.1297 -1.136276 4.195841 
1 1 1   17    6    4 o  244.673   2.1145  8047.05  138.961  8064.14  196.692  8030.03  196.348  244.820   2.9912  244.301   2.9923 0.5184937 4.231014 
1 1 1   17    6    5 o   55.818   0.7539  418.467   11.302  435.238   17.172  405.650   15.012   56.921   1.1232   54.954   1.0171 1.967579 1.515248 
1 1 1   17    6    6 o   25.801   0.8889   89.414   6.1598  103.539   9.5878   79.486   8.0382   27.761   1.2858   24.293   1.2360 3.468494 1.783553 
1 1 1   17    6    7 f  110.392   1.0783  1637.00   31.971  1657.18   45.481  1617.28   44.952  111.056   1.5248  109.711   1.5255 1.345116 2.156847 
1 1 1   17    6    8 f  145.858   1.2199  2858.05   47.789  2920.81   74.834  2814.82   62.102  147.415   1.8900  144.733   1.5975 2.682556 2.474704 
1 1 1   17    6    9 o   89.180   0.8625  1068.24   20.658  1121.42   32.612  1032.60   26.698   91.361   1.3290   87.674   1.1338 3.687592 1.746896 
1 1 1   17    6   10 o  128.666   1.1060  2223.92   38.222  2262.58   59.561  2196.85   49.837  129.752   1.7091  127.866   1.4511 1.885712 2.242017 
1 1 1   17    6   11 o   71.561   0.8151  687.848   15.668  657.363   22.675  715.698   21.673   69.950   1.2069   72.990   1.1055 -3.039993 1.636698 
1 1 1   17    6   12 o   90.301   0.9105  1095.32   22.083  1110.13   36.637  1086.87   27.676   90.891   1.5007   89.946   1.1456 0.9454498 1.888020 
1 1 1   17    6   13 o   37.778   0.8558  191.706   8.6833  196.214   12.924  187.996   11.723   38.215   1.2592   37.407   1.1668 0.8076324 1.716669 
1 1 1   17    6   14 o  162.694   1.4662  3557.10   64.069  3580.98   90.874  3533.50   90.341  163.185   2.0733  162.100   2.0750 1.085541 2.933294 
1 1 1   17    6   15 o   88.474   0.9972  1051.57   23.697  1043.68   35.303  1058.04   31.969   88.124   1.4915   88.734   1.3414 -0.6103668 2.005952 
1 1 1   17    6   16 o   95.466   0.9005  1224.30   23.091  1249.45   32.857  1199.76   32.459   96.428   1.2686   94.491   1.2789 1.937317 1.801399 
1 1 1   17    6   17 o   39.732   0.7462  212.048   7.9636  214.223   10.993  209.646   11.552   39.931   1.0250   39.501   1.0888 0.4299736 1.495371 
1 1 1   17    6   18 o  139.268   1.1776  2606.28   44.050  2619.60   62.364  2593.01   62.228  139.582   1.6635  138.871   1.6683 0.7106934 2.355941 
1 1 1   17    6   19 f   92.220   1.0213  1142.67   25.297  1101.79   33.191  1199.34   39.074   90.537   1.3649   94.449   1.5403 -3.911873 2.058004 
1 1 1   17    6   20 o   89.937   0.9517  1086.77   22.990  1099.97   32.400  1073.38   32.625   90.461   1.3335   89.359   1.3593 1.101601 1.904210 
1 1 1   17    6   21 o   77.122   0.9267  799.145   19.195  798.502   25.888  799.932   28.607   77.076   1.2505   77.137   1.3808 -0.6160736E-01 1.862882 
1 1 1   17    6   22 o   71.932   0.8234  695.156   15.908  690.739   21.322  700.702   23.891   71.691   1.1073   72.200   1.2320 -0.5087967 1.656474 
1 1 1   17    6   23 o  106.168   0.9690  1514.67   27.632  1509.10   38.902  1520.35   39.255  105.940   1.3672  106.334   1.3745 -0.3934402 1.938641 
1 1 1   17    6   24 o   21.143   0.9961   60.076   5.6567   58.799   7.5657   61.695   8.5184   20.867   1.3573   21.365   1.4939 -0.4978466 2.018372 
1 1 1   17    6   25 o   54.849   0.7780  404.206   11.462  410.507   15.310  396.170   17.290   55.266   1.0314   54.285   1.1858 0.9806328 1.571608 
1 1 1   17    6   26 o  143.645   1.3968  2775.34   53.893  2782.64   72.361  2766.26   80.762  143.744   1.8742  143.270   2.0987 0.4744415 2.813793 
1 1 1   17    6   27 o   46.686   0.8317  292.887   10.429  286.311   14.382  300.178   15.145   46.147   1.1603   47.249   1.1934 -1.102722 1.664457 
1 1 1   17    6   28 o   55.539   0.9086  414.560   13.555  413.199   18.669  416.078   19.712   55.429   1.2540   55.617   1.3196 -0.1884460 1.820346 
1 1 1   17    6   29 o   77.079   0.8887  798.500   18.399  786.979   25.574  810.864   26.491   76.492   1.2448   77.642   1.2703 -1.149620 1.778535 
1 1 1   17    6   30 o   76.116   0.8971  778.748   18.340  755.137   23.309  817.125   29.717   74.931   1.1582   77.918   1.4200 -2.986183 1.832396 
1 1 1   17    6   31 o   80.844   0.8435  878.477   18.315  867.842   25.516  889.779   26.304   80.320   1.1828   81.326   1.2042 -1.006271 1.687930 
1 1 1   17    6   32 o  112.542   1.0191  1703.35   30.805  1719.29   43.615  1687.48   43.515  112.989   1.4372  111.936   1.4474 1.052238 2.039693 
1 1 1   17    6   33 o  112.462   1.1837  1702.15   35.754  1691.66   47.540  1715.81   54.249  112.022   1.5800  112.758   1.7912 -0.7363358 2.388522 
1 1 1   17    6   34 o   51.796   0.8195  360.693   11.401  372.233   15.180  345.762   17.267   52.596   1.0746   50.673   1.2687 1.923912 1.662610 
1 1 1   17    6   35 o   31.433   0.9968  132.926   8.4152  133.040   11.357  132.787   12.532   31.423   1.3456   31.381   1.4868 0.4134941E-01 2.005270 
1 1 1   17    6   36 f   52.497   0.8353  370.622   11.778  378.782   17.355  363.654   16.036   53.031   1.2184   51.970   1.1488 1.061401 1.674611 
1 1 1   17    6   37 o   26.884   1.0064   97.268   7.2674  102.837   9.9288   90.841   10.666   27.621   1.3383   25.900   1.5402 1.721493 2.040437 
1 1 1   17    6   38 o   40.446   0.8181  220.008   8.8877  220.914   12.130  218.958   13.059   40.504   1.1150   40.315   1.2061 0.1890144 1.642517 
1 1 1   17    6   39 o   7.3398   2.5092   6.7548   5.9453   5.3262   8.3297   8.2385   8.4885   7.5722   2.9109   8.3597   2.9878 -0.7875543 4.171365 
1 1 1   17    6   40 o   22.312   1.1860   67.275   7.0819   78.068   10.126   56.940   9.9084   23.985   1.5807   20.428   1.8251 3.557522 2.414428 
1 1 1   17    6   41 o   28.164   0.9873  106.806   7.4683  118.230   10.139   93.255   11.043   29.607   1.2750   26.218   1.5754 3.388538 2.026716 
1 1 1   17    6   42 o   33.184   0.9054  148.235   8.0694  145.931   10.992  150.928   11.884   32.890   1.2443   33.439   1.3232 -0.5485382 1.816325 
1 1 1   17    6   43 o   40.717   1.0436  223.413   11.413  241.675   17.315  209.384   15.176   42.265   1.5253   39.357   1.4356 2.908268 2.094635 
1 1 1   17    6   44 o   37.898   0.9156  193.426   9.3198  201.139   13.036  185.362   13.329   38.597   1.2575   37.040   1.3398 1.557915 1.837468 
1 1 1   17    6   45 o   15.022   1.6245   30.932   6.4500   29.739   8.3367   32.712   10.180   14.605   2.1930   15.234   2.5801 -0.6293945 3.386204 
1 1 1   17    6   46 o   37.899   0.8741  193.426   8.8983  195.961   11.537  189.704   13.979   38.112   1.1271   37.454   1.3896 0.6578102 1.789235 
1 1 1   17    6   47 f   42.841   0.8850  247.181   10.184  250.292   12.849  241.926   16.700   43.074   1.1106   42.277   1.4707 0.7971306 1.842904 
1 1 1   17    6   48 o   43.042   1.0014  249.738   11.577  258.221   14.637  235.562   18.920   43.721   1.2464   41.657   1.6910 2.064392 2.100720 
1 1 1   17    6   49 o   19.247   1.5062   50.506   7.7241   51.016   9.8646   49.697   12.418   19.252   1.9338   18.843   2.5166 0.4098454 3.173792 
1 1 1   17    6   50 o   28.605   1.2420  110.656   9.5427  100.043   12.913  123.429   14.165   27.042   1.7879   30.056   1.7624 -3.014210 2.510449 
1 1 1   17    6   51 o   36.795   1.1882  183.158   11.743  201.559   17.880  169.199   15.573   38.442   1.7317   35.247   1.6449 3.194218 2.388422 
1 1 1   17    6   52 o   35.549   1.3178  171.517   12.583  182.841   19.069  162.783   16.746   36.426   1.9562   34.425   1.8176 2.001362 2.670285 
1 1 1   17    6   53 o   34.542   1.2694  162.071   11.777  167.202   15.926  155.880   17.494   34.929   1.6976   33.567   1.9488 1.361797 2.584445 
1 1 1   17    6   54 o   17.017   2.3499   41.302   10.454   21.591   17.477   52.282   13.044   12.105   4.2914   19.054   2.6180 -6.949035 5.026927 
1 1 1   17    6   55 o   11.749   3.6604   21.257   12.794   7.2135   18.445   34.276   17.760   9.7956   4.1220   14.513   4.2703 -4.717484 5.935193 
1 1 1   17    6   56 o   19.989   2.6189   58.393   13.722   51.612   20.350   64.049   18.583   17.593   4.3347   20.318   3.5335 -2.725538 5.592424 
1 1 1   17    7  -54 o   11.436   4.8165   12.470   25.219   0.0000   0.0000   12.470   25.219  ?   ?    11.436   4.8165 0.000000 4.816499 
1 1 1   17    7  -53 o   14.100   4.3394   31.496   18.043   0.0000   0.0000   31.496   18.043  ?   ?    14.100   4.3394 0.000000 4.339431 
1 1 1   17    7  -52 o   19.867   3.3807   58.407   17.393   76.930   43.074   54.798   19.012   20.397   6.7521   18.974   3.8619 1.422443 7.778511 
1 1 1   17    7  -51 o   27.287   1.7967  102.337   13.095   95.546   18.216  109.599   18.837   26.019   2.6433   27.934   2.5384 -1.914616 3.664750 
1 1 1   17    7  -50 o   42.788   1.4239  248.418   16.365  228.424   22.841  269.507   23.458   40.738   2.0945   44.360   1.9688 -3.622654 2.874582 
1 1 1   17    7  -49 o   21.218   1.8303   61.805   10.329   71.540   13.066   45.591   16.864   22.746   2.1649   17.609   3.6839 5.137012 4.272904 
1 1 1   17    7  -48 o   27.745   1.5072  104.638   11.190  103.322   15.295  106.154   16.414   27.418   2.0928   27.754   2.2205 -0.3358383 3.051304 
1 1 1   17    7  -47 o   8.4321   3.0718   8.2783   9.0250   3.8805   12.282   13.440   13.306   8.3311   3.4221   10.413   3.7387 -2.081811 5.068454 
1 1 1   17    7  -46 o   33.783   1.2268  154.133   11.132  174.217   15.920  134.921   15.571   35.836   1.6540   31.444   1.8519 4.391869 2.483000 
1 1 1   17    7  -45 o   21.426   2.4002   63.690   13.576   0.0000   0.0000   63.690   13.576  ?   ?    21.426   2.4002 0.000000 2.400184 
1 1 1   17    7  -44 o   38.457   1.1476  199.556   11.854  195.119   16.673  204.089   16.855   37.935   1.6364   38.802   1.6173 -0.8664589 2.300766 
1 1 1   17    7  -43 o   28.934   1.4011  113.186   10.888  137.710   15.985   91.956   14.872   31.776   1.8813   25.875   2.1597 5.900719 2.864165 
1 1 1   17    7  -42 o   28.416   1.5188  109.548   11.550  117.836   14.248   93.669   19.723   29.412   1.8124   25.919   2.8819 3.493317 3.404441 
1 1 1   17    7  -41 o   22.819   1.5113   70.705   9.2107   74.625   12.425   65.922   13.724   23.353   2.0002   21.852   2.3766 1.500875 3.106271 
1 1 1   17    7  -40 o   41.176   1.1001  228.437   12.167  222.203   16.802  235.310   17.643   40.546   1.5428   41.719   1.5745 -1.173103 2.204374 
1 1 1   17    7  -39 o   22.901   1.4621   71.097   8.9465   74.969   12.429   66.933   12.888   23.428   1.9942   22.085   2.2020 1.342695 2.970817 
1 1 1   17    7  -38 o   14.342   2.4387   28.758   9.0579   37.732   10.946   9.2618   16.133   16.450   2.5607   10.260   4.0211 6.189945 4.767245 
1 1 1   17    7  -37 o   23.328   1.4461   73.704   9.0164   78.611   12.495   68.373   13.024   24.015   1.9540   22.339   2.1992 1.675537 2.941858 
1 1 1   17    7  -36 o   31.887   1.3583  137.087   11.633  115.126   19.336  149.544   14.563   28.982   2.5087   33.276   1.6294 -4.294222 2.991432 
1 1 1   17    7  -35 o   34.585   1.2558  161.142   11.665  147.837   18.638  169.711   14.957   32.965   2.1162   35.461   1.5704 -2.496227 2.635205 
1 1 1   17    7  -34 o   31.984   1.3114  137.822   11.266  142.824   18.736  134.988   14.100   32.399   2.1655   31.578   1.6683 0.8203049 2.733576 
1 1 1   17    7  -33 o   6.2545   2.6968  -0.7631   8.2387  -1.8277   13.187  -0.0815   10.551   7.7955   3.3864   7.2139   3.0798 0.5816822 4.577466 
1 1 1   17    7  -32 o   41.474   1.1834  231.514   13.183  237.043   16.163  220.529   22.784   41.945   1.4347   40.328   2.1108 1.617207 2.552187 
1 1 1   17    7  -31 o   31.098   1.1083  130.100   9.2573  123.987   12.952  136.484   13.236   30.288   1.5978   31.825   1.5484 -1.537001 2.224977 
1 1 1   17    7  -30 f   31.888   1.0834  136.763   9.2796  141.776   13.040  131.621   13.208   32.446   1.4964   31.217   1.5804 1.228287 2.176408 
1 1 1   17    7  -29 o   14.193   1.9738   27.690   7.3209   28.421   9.8500   26.788   10.943   14.263   2.6693   13.787   3.0371 0.4766159 4.043368 
1 1 1   17    7  -28 o   41.864   0.9715  235.600   10.924  236.095   15.536  235.117   15.363   41.887   1.3809   41.801   1.3683 0.8615112E-01 1.944003 
1 1 1   17    7  -27 o   21.570   1.3695   62.844   7.8931   65.836   10.834   59.460   11.523   22.028   1.8482   20.896   2.0808 1.132132 2.783063 
1 1 1   17    7  -26 o   18.072   1.5475   44.276   7.4391   53.641   10.166   33.480   10.915   19.860   1.9302   15.515   2.7182 4.344355 3.333853 
1 1 1   17    7  -25 o   41.466   0.9752  231.099   10.861  232.030   15.248  230.141   15.474   41.534   1.3669   41.363   1.3929 0.1706581 1.951509 
1 1 1   17    7  -24 o   71.118   1.2667  680.100   24.197  658.501   30.932  714.158   38.842   69.949   1.6464   72.810   1.9862 -2.860580 2.579833 
1 1 1   17    7  -23 o   41.244   1.3922  228.783   15.423  252.668   21.836  205.008   21.786   43.318   1.8768   38.952   2.0900 4.366634 2.808946 
1 1 1   17    7  -22 o   35.422   0.9981  168.624   9.4956  179.407   13.481  158.004   13.378   36.526   1.3741   34.275   1.4532 2.250553 1.999942 
1 1 1   17    7  -21 o   62.104   0.9497  518.278   15.841  498.414   22.009  539.630   22.819   60.884   1.3459   63.352   1.3411 -2.467678 1.899950 
1 1 1   17    7  -20 o   62.247   0.9414  520.631   15.739  528.439   22.279  512.852   22.239   62.695   1.3230   61.763   1.3406 0.9324455 1.883484 
1 1 1   17    7  -19 o   24.006   1.1953   77.457   7.7074   74.555   10.883   80.378   10.917   23.478   1.7381   24.388   1.6769 -0.9102154 2.415158 
1 1 1   17    7  -18 o   26.018   1.0557   90.964   7.3779   88.275   8.3052  101.031   16.067   25.628   1.2065   27.305   2.2098 -1.676205 2.517717 
1 1 1   17    7  -17 o   74.888   0.9106  753.458   18.316  767.937   27.330  741.654   24.677   75.586   1.3462   74.287   1.2368 1.299751 1.828064 
1 1 1   17    7  -16 o  214.501   2.0968  6191.03  120.802  6197.56  197.136  6187.10  152.866  214.268   3.4255  214.307   2.6557 -0.3971863E-01 4.334349 
1 1 1   17    7  -15 o   51.147   0.8747  351.433   12.017  356.200   28.671  350.417   13.235   51.456   2.0745   51.072   0.9649 0.3843231 2.287884 
1 1 1   17    7  -14 o   93.989   0.8834  1186.71   22.301  1167.82   34.468  1200.31   29.248   93.218   1.3767   94.516   1.1521 -1.298012 1.795153 
1 1 1   17    7  -13 o   86.523   0.8813  1005.65   20.481  974.786   33.814  1023.53   25.740   85.164   1.4783   87.282   1.0980 -2.118347 1.841418 
1 1 1   17    7  -12 o  123.359   1.0664  2044.41   35.333  1982.46   53.942  2090.96   46.760  121.443   1.6537  124.739   1.3957 -3.295494 2.163947 
1 1 1   17    7  -11 o  114.440   1.0541  1759.41   32.399  1749.69   48.036  1767.52   43.884  114.099   1.5674  114.687   1.4246 -0.5876160 2.118119 
1 1 1   17    7  -10 o   19.865   1.3217   53.256   7.0118   54.187   8.5282   51.314   12.318   20.016   1.5997   19.381   2.4191 0.6350212 2.900200 
1 1 1   17    7   -9 o   12.309   1.8870   20.841   6.0399   32.921   9.3855   12.303   7.8910   15.473   2.3307   9.5208   2.8575 5.952133 3.687461 
1 1 1   17    7   -8 o   67.163   0.8243  605.908   14.869  612.272   21.460  600.032   20.621   67.508   1.1836   66.831   1.1488 0.6774216 1.649410 
1 1 1   17    7   -7 o  121.662   1.0552  1988.38   34.480  2001.91   48.982  1975.08   48.545  122.057   1.4941  121.236   1.4908 0.8205109 2.110650 
1 1 1   17    7   -6 o   68.777   0.8272  635.367   15.280  625.132   23.951  642.391   19.842   68.212   1.3073   69.152   1.0683 -0.9402618 1.688287 
1 1 1   17    7   -5 o  113.248   1.1548  1722.95   35.126  1678.73   60.117  1745.87   43.283  111.748   2.0029  113.990   1.4137 -2.241638 2.451597 
1 1 1   17    7   -4 o  139.737   1.3592  2623.51   51.014  2644.27   89.148  2613.40   62.207  140.223   2.3670  139.452   1.6608 0.7716675 2.891536 
1 1 1   17    7   -3 o   70.659   0.9299  670.648   17.647  676.962   25.068  664.444   24.848   70.984   1.3149   70.324   1.3155 0.6593399 1.859930 
1 1 1   17    7   -2 o  109.215   0.9748  1602.24   28.595  1593.91   40.384  1610.61   40.496  108.918   1.3804  109.488   1.3771 -0.5692520 1.949862 
1 1 1   17    7   -1 o   62.416   0.7683  523.264   12.881  516.293   17.439  531.632   19.106   61.995   1.0473   62.908   1.1308 -0.9128113 1.541271 
1 1 1   17    7    0 o   29.764   0.7965  118.992   6.3672  125.680   9.3443  113.195   8.6995   30.587   1.1374   29.028   1.1158 1.558826 1.593337 
1 1 1   17    7    1 o  131.216   1.1183  2312.96   39.412  2373.49   56.571  2255.87   54.940  132.902   1.5848  129.568   1.5787 3.334335 2.236930 
1 1 1   17    7    2 o   43.796   0.7176  257.619   8.4411  257.650   12.097  257.590   11.784   43.795   1.0284   43.791   1.0019 0.4787445E-02 1.435753 
1 1 1   17    7    3 o   40.611   0.7601  221.521   8.2908  226.577   11.292  215.608   12.211   41.070   1.0237   40.062   1.1349 1.007641 1.528354 
1 1 1   17    7    4 o  225.821   1.9621  6854.95  119.011  6845.31  153.493  6869.48  188.448  225.590   2.5332  225.898   3.1059 -0.3075867 4.007990 
1 1 1   17    7    5 o  177.676   1.5794  4242.24   75.375  4227.55   97.058  4264.57  119.644  177.331   2.0378  178.059   2.5017 -0.7275085 3.226606 
1 1 1   17    7    6 o  150.553   1.4428  3045.61   58.343  3057.64   71.741  3022.12  100.259  150.829   1.7709  149.891   2.4903 0.9380341 3.055787 
1 1 1   17    7    7 o  132.714   1.1795  2366.22   42.045  2392.02   57.288  2336.09   61.902  133.415   1.5987  131.837   1.7481 1.577621 2.368929 
1 1 1   17    7    8 o   90.931   0.9082  1110.66   22.181  1109.05   29.999  1112.60   32.946   90.856   1.2293   90.998   1.3480 -0.1415100 1.824319 
1 1 1   17    7    9 o  121.019   1.0997  1967.53   35.747  1947.83   52.725  1984.28   48.631  120.387   1.6306  121.515   1.4900 -1.128593 2.208826 
1 1 1   17    7   10 o   99.387   0.9600  1326.90   25.628  1311.54   37.837  1339.92   34.835   98.793   1.4259   99.862   1.2988 -1.068527 1.928746 
1 1 1   17    7   11 o  147.606   1.3489  2927.66   53.479  2949.49   84.813  2913.25   68.904  148.092   2.1323  147.214   1.7426 0.8777313 2.753772 
1 1 1   17    7   12 o  180.690   1.6046  4388.37   77.873  4463.80  124.220  4339.53   99.952  182.118   2.5395  179.630   2.0717 2.488403 3.277315 
1 1 1   17    7   13 o   19.357   1.1140   50.510   5.7676   51.584   8.9317   49.742   7.5537   19.513   1.7219   19.181   1.4776 0.3313503 2.268941 
1 1 1   17    7   14 o   33.532   0.8490  151.039   7.6460  152.197   10.990  149.953   10.644   33.655   1.2158   33.406   1.1863 0.2485390 1.698667 
1 1 1   17    7   15 o  186.866   1.5798  4694.25   79.290  4754.37  118.281  4645.18  106.853  187.945   2.3431  185.808   2.1411 2.136536 3.174010 
1 1 1   17    7   16 o  119.017   1.0947  1903.31   34.994  1954.61   58.599  1874.88   43.626  120.555   1.8097  118.107   1.3753 2.448425 2.272986 
1 1 1   17    7   17 o   90.409   0.8771  1098.12   21.300  1098.92   32.772  1097.54   28.026   90.419   1.3494   90.373   1.1546 0.4608154E-01 1.775974 
1 1 1   17    7   18 o   88.313   0.9014  1047.84   21.382  1057.07   31.689  1040.13   28.970   88.679   1.3305   87.972   1.2261 0.7073135 1.809245 
1 1 1   17    7   19 o   78.469   0.8138  827.211   17.151  825.387   24.056  829.096   24.461   78.368   1.1429   78.543   1.1595 -0.1750641 1.628046 
1 1 1   17    7   20 o   74.550   0.8773  746.726   17.567  742.664   24.619  750.938   25.074   74.330   1.2332   74.742   1.2490 -0.4120178 1.755189 
1 1 1   17    7   21 o   27.086   0.9609   98.589   6.9904   99.917   9.5398   97.050   10.273   27.261   1.3029   26.826   1.4309 0.4350147 1.935178 
1 1 1   17    7   22 o   51.122   0.8012  351.130   11.002  351.012   15.141  351.262   16.013   51.103   1.1031   51.118   1.1663 -0.1561356E-01 1.605327 
1 1 1   17    7   23 o   60.708   0.8174  495.194   13.328  480.647   18.783  509.945   18.915   59.794   1.1695   61.591   1.1434 -1.796844 1.635563 
1 1 1   17    7   24 o   77.632   0.8594  809.835   17.920  842.843   26.960  783.709   23.985   79.171   1.2678   76.350   1.1696 2.820580 1.724937 
1 1 1   17    7   25 o   71.113   0.9454  679.657   18.057  712.975   29.309  659.275   22.924   72.794   1.4990   70.022   1.2189 2.772751 1.932050 
1 1 1   17    7   26 o  115.912   1.1310  1806.42   35.213  1808.64   49.443  1804.14   50.161  115.919   1.5880  115.771   1.6132 0.1483459 2.263654 
1 1 1   17    7   27 o   6.6733   2.3281   5.3396   5.1289   14.414   6.5316  -9.2550   8.2834   10.130   2.4315   5.0229   2.3674 5.107128 3.393606 
1 1 1   17    7   28 o   86.161   0.9036  997.816   20.912  999.873   28.032  995.235   31.402   86.220   1.2105   86.003   1.3594 0.2173767 1.820228 
1 1 1   17    7   29 o   33.396   0.8617  149.908   7.7292  151.222   9.9775  147.935   12.222   33.533   1.1078   33.154   1.3725 0.3788910 1.763829 
1 1 1   17    7   30 f   52.395   0.7920  368.961   11.145  368.011   14.887  370.171   16.811   52.311   1.0595   52.454   1.1932 -0.1432724 1.595752 
1 1 1   17    7   31 o   27.042   0.9752   98.336   7.0828   97.559   8.7788   99.784   11.988   26.925   1.2139   27.156   1.6514 -0.2317410 2.049606 
1 1 1   17    7   32 o   47.362   1.0106  301.733   12.856  300.974   14.968  303.869   25.104   47.289   1.1785   47.423   1.9708 -0.1341705 2.296318 
1 1 1   17    7   33 o   68.459   0.8506  630.177   15.640  628.256   20.657  632.759   23.943   68.322   1.1257   68.542   1.3005 -0.2193375 1.720039 
1 1 1   17    7   34 o   25.367   1.0578   86.596   7.2073  102.095   10.355   72.033   10.038   27.486   1.4074   23.045   1.6322 4.440170 2.155204 
1 1 1   17    7   35 o   41.110   0.8095  227.263   8.9386  221.640   12.118  233.973   13.238   40.575   1.1120   41.681   1.1825 -1.106827 1.623181 
1 1 1   17    7   36 o   59.232   0.8467  471.883   13.470  485.147   18.861  458.077   19.243   60.017   1.1701   58.310   1.2287 1.707077 1.696686 
1 1 1   17    7   37 o   39.323   0.8772  208.014   9.2643  212.604   13.304  203.693   12.908   39.720   1.2471   38.879   1.2361 0.8401222 1.755882 
1 1 1   17    7   38 o   45.491   0.8551  278.394   10.449  273.454   15.154  282.871   14.426   45.041   1.2526   45.821   1.1722 -0.7794571 1.715533 
1 1 1   17    7   39 o   5.8857   2.3390   2.5009   5.5294  -2.8685   7.0903   10.835   8.8335   5.3827   2.4039   9.1294   3.0588 -3.746711 3.890357 
1 1 1   17    7   40 o   34.279   0.8895  158.143   8.1893  160.946   11.201  154.925   12.003   34.550   1.2071   33.885   1.3188 0.6653976 1.787833 
1 1 1   17    7   41 o   31.173   1.0759  130.949   9.0085  133.764   14.242  129.073   11.631   31.382   1.6959   30.912   1.4008 0.4700394 2.199664 
1 1 1   17    7   42 o   8.9505   2.9864   10.536   8.4202   13.147   13.968   9.0452   10.553   10.503   3.8222   8.9720   3.3133 1.530646 5.058381 
1 1 1   17    7   43 o   7.3656   2.5511   6.7649   6.1533   1.2987   8.1629   13.959   9.3644   6.5841   2.7547   10.039   3.1323 -3.454828 4.171296 
1 1 1   17    7   44 o   35.031   0.8636  165.250   8.1261  166.621   10.490  163.191   12.851   35.146   1.1112   34.741   1.3772 0.4046593 1.769556 
1 1 1   17    7   45 o   42.664   0.8823  245.146   10.111  241.292   12.268  253.308   17.854   42.297   1.0799   43.243   1.5372 -0.9456329 1.878550 
1 1 1   17    7   46 o   29.692   1.0039  118.838   8.0058  114.705   9.8003  127.128   13.880   29.140   1.2521   30.558   1.6978 -1.417551 2.109583 
1 1 1   17    7   47 o   5.8602   2.4799   0.4919   6.7368   1.2388   8.8038  -0.5633   10.464   6.7885   2.8517   7.0333   3.0359 -0.2448158 4.165197 
1 1 1   17    7   48 o   27.717   1.1739  103.747   8.7387  119.946   12.929   90.122   11.857   29.682   1.6279   25.693   1.7283 3.989262 2.374239 
1 1 1   17    7   49 o   45.337   0.9902  277.259   12.058  272.066   16.680  282.944   17.451   44.817   1.3856   45.694   1.4219 -0.8767967 1.985425 
1 1 1   17    7   50 o   12.599   2.6379   22.832   8.6404   25.877   10.903   17.690   14.168   13.308   3.1067   11.341   3.8734 1.967427 4.965376 
1 1 1   17    7   51 o   9.7726   3.0719   13.542   8.9878   13.501   11.255   13.615   14.932   10.000   3.4509   10.535   3.9312 -0.5348558 5.230967 
1 1 1   17    7   52 o   15.554   2.4004   34.471   9.7049   45.032   15.165   27.146   12.630   17.400   3.3666   13.417   3.4764 3.982924 4.839347 
1 1 1   17    7   53 o   19.477   2.1273   53.349   10.948   60.757   20.487   50.388   12.952   19.784   3.9932   18.695   2.6539 1.089373 4.794625 
1 1 1   17    7   54 o   21.355   2.8068   66.559   15.709   71.525   19.472   57.300   26.587   21.729   3.4517   18.124   5.1941 3.605053 6.236413 
1 1 1   17    7   55 o   8.7519   3.4402   8.5425   11.840  -8.3078   17.966   21.479   15.742   7.8832   3.6380   11.758   4.0799 -3.874826 5.466315 
1 1 1   17    8  -53 o   9.1757   3.8833   5.0526   16.522   0.0000   0.0000   5.0526   16.522  ?   ?    9.1757   3.8833 0.000000 3.883260 
1 1 1   17    8  -52 o   23.249   3.2092   79.598   19.505   0.0000   0.0000   79.598   19.505  ?   ?    23.249   3.2092 0.000000 3.209165 
1 1 1   17    8  -51 o   11.265   3.5833   18.576   12.199   22.576   16.866   14.186   17.667   12.404   4.2262   10.950   4.2310 1.453595 5.980182 
1 1 1   17    8  -50 f   44.123   1.4072  264.507   16.677  265.782   23.453  263.203   23.718   43.978   1.9855   43.747   2.0185 0.2306061 2.831394 
1 1 1   17    8  -49 o   34.530   1.5287  162.022   14.178  169.306   20.332  155.126   19.781   35.026   2.1719   33.506   2.2105 1.520470 3.098916 
1 1 1   17    8  -48 o   16.414   2.3505   37.773   10.067   41.636   12.820   31.558   16.259   17.077   2.8986   14.564   4.0232 2.512609 4.958621 
1 1 1   17    8  -47 o   13.188   3.0681   25.173   10.663   25.694   13.202   24.196   18.084   13.256   3.6103   13.111   4.3766 0.1446543 5.673536 
1 1 1   17    8  -46 o   54.061   1.0937  394.326   15.881  377.891   22.120  411.808   22.813   52.796   1.5599   55.120   1.5409 -2.324631 2.192648 
1 1 1   17    8  -45 o   29.877   1.4187  120.797   11.385  138.189   19.793  112.198   13.918   31.666   2.3438   28.669   1.8168 2.997276 2.965544 
1 1 1   17    8  -44 o   37.485   1.6422  190.622   16.534   0.0000   0.0000  190.622   16.534  ?   ?    37.485   1.6422 0.000000 1.642244 
1 1 1   17    8  -43 o   36.500   1.1639  179.801   11.410  176.930   16.114  182.688   16.158   36.114   1.6613   36.702   1.6391 -0.5878677 2.333766 
1 1 1   17    8  -42 o   5.6081   2.5353  -4.1948   8.1594   5.8212   11.750 -13.5242   11.340   8.5620   3.4074   5.7268   2.7200 2.835261 4.359963 
1 1 1   17    8  -41 o   40.940   1.2793  226.306   14.068  216.206   17.367  245.583   23.992   39.952   1.6184   42.455   2.1040 -2.502922 2.654443 
1 1 1   17    8  -40 o   55.170   1.0439  410.109   15.469  395.892   21.665  424.898   22.095   54.113   1.4906   56.066   1.4672 -1.953167 2.091576 
1 1 1   17    8  -39 o   15.514   2.0187   33.218   8.2124   34.401   11.539   32.004   11.691   15.599   2.8595   14.999   3.0068 0.6000938 4.149384 
1 1 1   17    8  -38 o   21.235   1.5859   61.282   8.9800   78.684   12.239   40.991   13.216   24.018   1.9131   17.040   2.9971 6.977909 3.555632 
1 1 1   17    8  -37 o   77.213   1.3378  804.124   27.743  815.634   35.102  784.967   45.286   77.666   1.6827   76.001   2.2185 1.665047 2.784420 
1 1 1   17    8  -36 o   7.9423   2.8759   7.2078   7.8932   15.439   10.902  -1.8603   11.443   10.657   3.3871   7.2089   3.1428 3.448545 4.620594 
1 1 1   17    8  -35 o   10.089   3.0390   14.083   8.9133   31.053   14.840   4.5054   11.148   14.704   3.7467   8.2103   3.3014 6.494163 4.993687 
1 1 1   17    8  -34 o   37.322   1.2123  187.631   12.152  187.191   19.491  187.911   15.543   37.136   1.9610   37.313   1.5509 -0.1772575 2.500209 
1 1 1   17    8  -33 o   24.957   1.5512   84.356   10.346   81.970   17.125   85.727   12.984   24.401   2.6559   25.100   1.9410 -0.6996517 3.289595 
1 1 1   17    8  -32 o   26.332   1.4656   93.767   10.325  101.129   17.268   89.672   12.880   27.201   2.3878   25.691   1.8797 1.509550 3.038843 
1 1 1   17    8  -31 o   35.060   1.2439  165.497   11.714  164.769   14.297  166.983   20.430   34.961   1.5226   35.058   2.1805 -0.9796143E-01 2.659454 
1 1 1   17    8  -30 o   43.240   0.9863  251.457   11.455  222.707   15.554  285.532   16.933   40.661   1.4242   46.046   1.3691 -5.384609 1.975532 
1 1 1   17    8  -29 o   48.397   0.9799  314.963   12.738  324.142   18.004  305.764   18.024   49.067   1.3661   47.652   1.4082 1.415054 1.961984 
1 1 1   17    8  -28 o  111.117   1.2463  1661.28   37.196  1677.34   52.913  1645.60   52.298  111.547   1.7661  110.488   1.7623 1.059631 2.494943 
1 1 1   17    8  -27 o   78.105   1.0342  820.231   21.696  815.006   30.716  825.434   30.650   77.809   1.4697   78.307   1.4573 -0.4977493 2.069737 
1 1 1   17    8  -26 o   9.6857   2.6486   13.092   7.0884   12.767   9.7664   13.453   10.304   9.8708   3.2126   10.131   3.3001 -0.2606916 4.605577 
1 1 1   17    8  -25 o   45.837   0.9674  282.409   11.911  280.185   16.644  284.744   17.052   45.636   1.3579   46.005   1.3800 -0.3684273 1.935996 
1 1 1   17    8  -24 o   49.097   0.9460  323.981   12.475  321.679   17.664  326.271   17.620   48.902   1.3448   49.251   1.3320 -0.3485565 1.892799 
1 1 1   17    8  -23 f   54.619   0.9505  400.936   13.944  412.990   19.998  389.531   19.452   55.413   1.3436   53.816   1.3457 1.596935 1.901668 
1 1 1   17    8  -22 f   76.605   1.4352  789.385   29.529  784.022   41.240  795.027   42.301   76.284   2.0128   76.812   2.0504 -0.5288544 2.873187 
1 1 1   17    8  -21 o   90.349   1.1711  1097.39   28.419  1116.24   37.643  1072.40   43.337   91.088   1.5386   89.250   1.8078 1.837242 2.373948 
1 1 1   17    8  -20 o   43.735   0.9079  257.020   10.665  274.952   14.590  236.441   15.630   45.224   1.2011   41.931   1.3878 3.293762 1.835411 
1 1 1   17    8  -19 o  102.325   1.0311  1407.13   28.339  1412.98   40.091  1401.28   40.064  102.501   1.4562  102.076   1.4613 0.4255295 2.063015 
1 1 1   17    8  -18 o   33.361   0.8236  149.528   7.3802  134.880   10.198  165.634   10.694   31.677   1.1986   35.105   1.1342 -3.427713 1.650155 
1 1 1   17    8  -17 o   70.282   0.8762  663.664   16.540  649.057   22.374  681.266   24.561   69.491   1.1987   71.190   1.2845 -1.698952 1.756940 
1 1 1   17    8  -16 o  115.678   1.0602  1798.15   32.940  1779.02   48.846  1814.11   44.610  115.018   1.5811  116.161   1.4298 -1.143219 2.131755 
1 1 1   17    8  -15 o  108.534   1.0188  1582.80   29.700  1577.00   44.097  1587.61   40.181  108.301   1.5159  108.676   1.3766 -0.3747406 2.047677 
1 1 1   17    8  -14 o   71.244   0.8838  681.904   16.912  713.717   29.606  666.495   20.605   72.861   1.5128   70.428   1.0893 2.433327 1.864167 
1 1 1   17    8  -13 o   75.310   0.9052  761.945   18.310  770.054   31.552  757.827   22.483   75.683   1.5522   75.099   1.1146 0.5838852 1.910917 
1 1 1   17    8  -12 o   44.601   0.9985  267.260   11.962  274.060   20.073  263.515   14.895   45.149   1.6553   44.282   1.2523 0.8664131 2.075643 
1 1 1   17    8  -11 o  131.452   1.2289  2321.94   43.388  2314.03   61.028  2330.02   61.698  131.189   1.7319  131.641   1.7450 -0.4513855 2.458571 
1 1 1   17    8  -10 o   47.397   0.7151  301.749   9.1035  309.368   12.455  293.009   13.339   47.988   0.9663   46.700   1.0635 1.287746 1.436904 
1 1 1   17    8   -9 o   52.274   0.7435  367.048   10.439  370.547   15.826  364.352   13.889   52.516   1.1220   52.078   0.9929 0.4383163 1.498226 
1 1 1   17    8   -8 o   25.812   0.8145   89.497   5.6469   88.062   8.0110   90.915   7.9611   25.601   1.1650   26.013   1.1394 -0.4117279 1.629595 
1 1 1   17    8   -7 o  154.264   1.2768  3197.59   52.903  3201.53   74.937  3193.69   74.695  154.318   1.8080  154.129   1.8043 0.1887817 2.554268 
1 1 1   17    8   -6 o   39.084   0.7578  205.182   7.9552  198.818   11.878  210.358   10.713   38.469   1.1496   39.571   1.0079 -1.102570 1.528889 
1 1 1   17    8   -5 f  171.758   1.5338  3964.72   70.758  4047.46  113.418  3911.99   90.538  173.445   2.4346  170.571   1.9762 2.874298 3.135705 
1 1 1   17    8   -4 o  252.470   2.1778  8572.46  147.681  8642.12  234.644  8526.76  190.042  253.220   3.4500  251.676   2.8114 1.543915 4.450422 
1 1 1   17    8   -3 o   80.579   0.8475  872.157   18.342  839.300   26.902  900.701   25.074   79.036   1.2673   81.879   1.1401 -2.843735 1.704678 
1 1 1   17    8   -2 o   54.245   0.8782  395.251   12.794  402.392   20.800  390.905   16.228   54.722   1.4152   53.942   1.1201 0.7808342 1.804772 
1 1 1   17    8   -1 o  289.581   2.2646 11278.59  176.138 11160.30  247.412 11400.16  250.817  287.844   3.2002  290.918   3.2099 -3.074097 4.532621 
1 1 1   17    8    0 o  190.586   1.5349  4881.38   78.569  4894.09  111.238  4868.73  110.990  190.768   2.1710  190.273   2.1718 0.4950104 3.070786 
1 1 1   17    8    1 o   85.829   0.8798  989.533   20.282  990.443   30.273  988.792   27.320   85.857   1.3128   85.789   1.1857 0.6761932E-01 1.768951 
1 1 1   17    8    2 o  159.789   1.3153  3430.67   56.448  3461.82   80.305  3400.24   79.364  160.472   1.8632  159.039   1.8579 1.433380 2.631204 
1 1 1   17    8    3 o   20.808   0.9923   58.163   5.5460   55.491   8.0370   60.593   7.6628   20.266   1.4869   21.192   1.3533 -0.9260979 2.010508 
1 1 1   17    8    4 o  203.287   1.7006  5554.71   92.853  5509.88  125.004  5609.88  138.687  202.392   2.2995  204.186   2.5288 -1.794205 3.418014 
1 1 1   17    8    5 f  201.642   1.8656  5466.29  101.039  5465.92  123.757  5467.02  174.974  201.581   2.2857  201.439   3.2340 0.1424713 3.960217 
1 1 1   17    8    6 o   75.944   0.9136  774.745   18.636  760.094   22.787  804.332   32.382   75.217   1.1279   77.360   1.5584 -2.143646 1.923799 
1 1 1   17    8    7 o   26.802   0.8815   96.499   6.3460   98.936   8.8285   93.893   9.1281   27.136   1.2113   26.434   1.2856 0.7014217 1.766386 
1 1 1   17    8    8 o  103.760   0.9872  1446.33   27.511  1429.56   37.061  1466.92   41.059  103.143   1.3378  104.475   1.4632 -1.332840 1.982587 
1 1 1   17    8    9 o  152.230   1.2647  3113.92   51.712  3137.82   73.413  3090.39   72.854  152.770   1.7891  151.611   1.7891 1.159134 2.530188 
1 1 1   17    8   10 o   82.528   0.9568  914.981   21.208  914.559   31.755  915.320   28.495   82.492   1.4332   82.532   1.2854 -0.4046631E-01 1.925227 
1 1 1   17    8   11 o  135.544   1.2030  2468.71   43.796  2462.59   64.883  2473.83   59.358  135.330   1.7850  135.653   1.6291 -0.3224792 2.416698 
1 1 1   17    8   12 o   89.112   0.8634  1066.78   20.665  1080.85   29.372  1052.98   29.079   89.685   1.2193   88.521   1.2231 1.164307 1.727037 
1 1 1   17    8   13 o   60.585   0.7382  493.052   12.012  500.962   16.997  485.161   16.978   61.062   1.0364   60.090   1.0519 0.9711800 1.476705 
1 1 1   17    8   14 o   75.852   0.8684  772.952   17.693  781.911   27.823  766.870   22.926   76.271   1.3581   75.544   1.1299 0.7270203 1.766693 
1 1 1   17    8   15 o   27.673   0.9304  102.887   6.9154  115.973   9.7148   89.446   9.8461   29.375   1.2313   25.755   1.4290 3.620447 1.886273 
1 1 1   17    8   16 o   75.362   0.8418  763.018   17.039  766.435   25.053  760.077   23.242   75.514   1.2352   75.204   1.1506 0.3097610 1.688116 
1 1 1   17    8   17 o  148.055   1.2978  2946.71   51.610  2990.94   86.077  2921.88   64.486  149.035   2.1503  147.389   1.6290 1.646011 2.697676 
1 1 1   17    8   18 o   71.286   0.8240  682.730   15.777  687.309   25.868  680.018   19.908   71.499   1.3470   71.135   1.0420 0.3640594 1.702965 
1 1 1   17    8   19 o   24.139   1.0493   78.311   6.8033   76.196   10.113   80.060   9.1950   23.746   1.5949   24.359   1.4114 -0.6131153 2.129725 
1 1 1   17    8   20 o   49.553   0.8633  329.937   11.491  327.988   17.092  331.544   15.521   49.390   1.2884   49.663   1.1636 -0.2724380 1.736103 
1 1 1   17    8   21 o  136.406   1.2751  2501.87   46.715  2556.03   74.520  2466.80   59.959  137.748   2.0142  135.391   1.6488 2.357376 2.602967 
1 1 1   17    8   22 f   45.097   0.8117  273.264   9.8323  292.376   15.156  259.376   12.920   46.632   1.2101   43.926   1.0951 2.705730 1.632019 
1 1 1   17    8   23 f   19.832   1.1542   53.060   6.1214   48.660   7.9166   59.602   9.6536   18.951   1.5694   20.970   1.7294 -2.018822 2.335375 
1 1 1   17    8   24 o   53.950   0.7938  391.094   11.502  384.653   15.937  398.096   16.617   53.489   1.1093   54.414   1.1370 -0.9251938 1.588447 
1 1 1   17    8   25 o   38.015   0.7713  194.187   7.8752  189.011   10.730  200.230   11.595   37.495   1.0654   38.590   1.1187 -1.094639 1.544830 
1 1 1   17    8   26 o   51.927   0.7495  362.326   10.454  360.498   14.442  364.337   15.152   51.782   1.0384   52.055   1.0837 -0.2724762 1.500880 
1 1 1   17    8   27 o   78.499   0.8303  828.170   17.507  835.806   24.597  820.330   24.923   78.831   1.1617   78.095   1.1882 0.7359543 1.661730 
1 1 1   17    8   28 o   20.544   1.1615   56.954   6.3827   56.042   7.5635   59.212   11.896   20.357   1.3917   20.829   2.1577 -0.4724350 2.567531 
1 1 1   17    8   29 o   22.897   1.0985   70.519   6.7553   67.376   7.9919   78.385   12.643   22.332   1.3386   24.016   1.9775 -1.684195 2.387946 
1 1 1   17    8   30 o   89.671   0.9773  1081.39   23.537  1074.46   29.922  1092.65   38.120   89.343   1.2469   90.034   1.5764 -0.6906891 2.009906 
1 1 1   17    8   31 o   46.710   0.8619  293.371   10.813  304.529   14.617  279.887   16.069   47.568   1.1441   45.587   1.3123 1.980659 1.741019 
1 1 1   17    8   32 o   58.629   0.8621  462.243   13.575  459.330   20.651  464.459   18.014   58.392   1.3168   58.740   1.1418 -0.3478203 1.742836 
1 1 1   17    8   33 o   51.459   0.8068  356.073   11.151  358.098   14.834  353.442   16.910   51.581   1.0707   51.226   1.2290 0.3544807 1.630017 
1 1 1   17    8   34 o   59.150   0.8182  470.509   12.999  474.998   17.482  464.958   19.441   59.398   1.0958   58.748   1.2321 0.6503944 1.648860 
1 1 1   17    8   35 o   48.100   0.8607  311.217   11.119  311.666   14.735  310.623   16.945   48.106   1.1404   48.003   1.3143 0.1028824 1.740101 
1 1 1   17    8   36 o   55.315   0.7914  411.495   11.758  414.815   16.197  407.796   17.096   55.502   1.0865   55.021   1.1569 0.4815369 1.587072 
1 1 1   17    8   37 o   66.183   0.8122  589.184   14.438  580.666   20.019  598.417   20.842   65.653   1.1353   66.644   1.1643 -0.9905777 1.626200 
1 1 1   17    8   38 o   42.602   0.8184  244.155   9.3646  249.336   12.824  238.236   13.707   43.020   1.1099   42.038   1.2139 0.9815483 1.644821 
1 1 1   17    8   39 o   61.736   0.9055  513.021   15.015  512.454   23.711  513.400   19.400   61.597   1.4332   61.712   1.1704 -0.1153183 1.850364 
1 1 1   17    8   40 o   28.960   1.1637  113.090   9.0517  113.031   14.687  113.126   11.494   28.792   1.9100   28.890   1.4863 -0.9792328E-01 2.420208 
1 1 1   17    8   41 o   47.556   0.9284  304.579   11.858  314.973   16.288  292.855   17.298   48.304   1.2554   46.551   1.3835 1.752583 1.868199 
1 1 1   17    8   42 o   25.935   1.0747   90.697   7.4860   89.808   10.082   91.788   11.176   25.722   1.4653   25.977   1.6097 -0.2546654 2.176818 
1 1 1   17    8   43 o   32.211   0.9335  139.783   8.0766  138.296   9.8938  142.753   13.983   32.013   1.1507   32.450   1.6044 -0.4377213 1.974334 
1 1 1   17    8   44 o   34.120   0.9738  156.902   8.9246  153.755   11.739  161.212   13.738   33.730   1.2958   34.504   1.4823 -0.7747040 1.968847 
1 1 1   17    8   45 o   31.279   1.0273  131.920   8.6302  136.277   11.032  125.048   13.855   31.754   1.2934   30.299   1.7095 1.454641 2.143706 
1 1 1   17    8   46 o   22.705   1.1254   69.577   6.8635   61.665   8.7024   82.597   11.164   21.277   1.5330   24.605   1.6997 -3.327681 2.288917 
1 1 1   17    8   47 o   37.574   0.9688  190.330   9.7775  198.443   13.105  180.142   14.685   38.312   1.2735   36.456   1.4997 1.856239 1.967446 
1 1 1   17    8   48 o   24.494   1.4339   81.585   9.3918   77.245   11.781   89.153   15.556   23.728   1.8635   25.365   2.3086 -1.637192 2.966914 
1 1 1   17    8   49 o   24.807   1.3405   83.634   8.8982   77.012   11.917   91.976   13.377   23.661   1.8910   25.855   1.9404 -2.193848 2.709429 
1 1 1   17    8   50 f   15.337   2.3242   33.254   9.2742   47.716   13.854   21.510   12.484   18.198   2.9342   12.071   3.5877 6.126384 4.634766 
1 1 1   17    8   51 o   17.198   1.9739   41.268   8.9527   36.057   12.664   46.474   12.658   15.635   3.1248   17.988   2.7036 -2.352432 4.132094 
1 1 1   17    8   52 o   22.316   2.0806   69.709   12.327   62.505   19.590   74.432   15.861   20.249   3.7398   22.793   2.6396 -2.544580 4.577518 
1 1 1   17    8   53 o   9.0349   3.7417   6.3578   14.843   20.165   18.711 -17.0800   24.377   11.835   4.4036   8.6439   4.0701 3.191571 5.996470 
1 1 1   17    8   54 o   11.633   3.9604   20.955   14.811   32.300   18.974   3.2600   23.696   13.919   4.4732   10.099   4.4587 3.819445 6.315784 
1 1 1   17    9  -53 o   15.167   5.1930   40.750   25.466   0.0000   0.0000   40.750   25.466  ?   ?    15.167   5.1930 0.000000 5.192979 
1 1 1   17    9  -52 o   24.759   3.0002   90.025   19.544   0.0000   0.0000   90.025   19.544  ?   ?    24.759   3.0002 0.000000 3.000154 
1 1 1   17    9  -51 o   10.995   4.1656   15.625   16.904   0.0000   0.0000   15.625   16.904  ?   ?    10.995   4.1656 0.000000 4.165642 
1 1 1   17    9  -50 o   16.492   2.9773   39.719   12.703   47.056   18.912   33.688   17.147   17.436   4.1061   14.737   4.1535 2.699177 5.840486 
1 1 1   17    9  -49 o   18.086   2.4702   46.249   11.686   65.924   16.812   27.857   16.255   21.418   3.0052   13.594   4.1060 7.824232 5.088310 
1 1 1   17    9  -48 f   54.507   1.3245  402.570   19.391  386.583   27.194  419.107   27.657   53.161   1.9046   55.376   1.8595 -2.214703 2.661784 
1 1 1   17    9  -47 o   33.165   1.2802  148.821   11.404  148.016   15.744  149.710   16.540   32.913   1.7876   33.075   1.8696 -0.1619759 2.586685 
1 1 1   17    9  -46 o   33.498   1.3610  151.872   12.245  158.689   15.455  140.378   20.070   34.172   1.6839   31.878   2.3608 2.293825 2.899798 
1 1 1   17    9  -45 o   16.945   2.0573   39.756   9.1710   43.040   13.053   36.554   12.888   17.403   2.8940   15.941   3.1219 1.462733 4.256928 
1 1 1   17    9  -44 o   37.326   1.2931  188.333   12.964  194.901   21.501  184.581   16.250   37.703   2.1320   36.879   1.6405 0.8244019 2.690109 
1 1 1   17    9  -43 o   11.762   3.6010   19.689   12.443   0.0000   0.0000   19.689   12.443  ?   ?    11.762   3.6010 0.000000 3.601033 
1 1 1   17    9  -42 o   18.440   1.8372   46.688   8.9782   38.336   12.571   55.383   12.827   16.397   2.9636   19.945   2.4457 -3.547949 3.842394 
1 1 1   17    9  -41 o   34.896   1.1882  164.372   11.137  186.255   16.041  144.009   15.474   37.068   1.6112   32.514   1.7786 4.553551 2.399848 
1 1 1   17    9  -40 o   20.602   1.8238   58.075   9.9877   56.684   12.227   60.866   17.315   20.244   2.2889   20.711   3.2171 -0.4672871 3.948214 
1 1 1   17    9  -39 o   34.713   1.1688  162.514   10.897  157.370   14.841  168.531   16.052   34.093   1.6207   35.267   1.6946 -1.174923 2.344828 
1 1 1   17    9  -38 o   25.182   1.3761   85.878   9.2722   96.917   12.952   74.273   13.280   26.677   1.8185   23.268   2.1492 3.409210 2.815288 
1 1 1   17    9  -37 o   42.089   1.0769  238.645   12.174  250.530   17.128  226.511   17.306   43.065   1.4808   40.933   1.5741 2.131947 2.161145 
1 1 1   17    9  -36 o   24.032   1.6397   78.442   10.521   93.937   12.522   41.245   19.401   26.284   1.7843   16.825   4.2823 9.458353 4.639169 
1 1 1   17    9  -35 f   48.103   1.0281  311.524   13.283  306.402   18.402  317.097   19.193   47.649   1.4379   48.467   1.4744 -0.8183632 2.059441 
1 1 1   17    9  -34 o   32.981   1.1665  146.529   10.333  136.698   14.447  156.826   14.786   31.756   1.7000   34.072   1.6157 -2.315895 2.345311 
1 1 1   17    9  -33 o   8.3419   3.2667   5.8566   10.641   7.2250   34.209   5.7100   11.197   13.366   5.6185   8.4612   3.3392 4.905267 6.535888 
1 1 1   17    9  -32 o   16.853   1.8943   38.893   8.4260   39.368   11.821   38.402   12.014   16.792   2.7134   16.561   2.8007 0.2316132 3.899557 
1 1 1   17    9  -31 o   8.8173   3.0761   9.5225   8.9544  -3.8440   13.374   20.384   12.055   7.5704   3.3455   12.055   3.5101 -4.485008 4.849027 
1 1 1   17    9  -30 o   25.373   1.4441   87.053   9.8008   94.353   12.119   73.252   16.663   26.383   1.7196   23.047   2.7458 3.335638 3.239820 
1 1 1   17    9  -29 o   24.111   1.2997   78.508   8.3857   75.175   11.571   82.194   12.170   23.524   1.8461   24.603   1.8553 -1.078690 2.617313 
1 1 1   17    9  -28 o   29.693   1.1321  118.621   9.0284  117.596   12.585  119.708   12.959   29.495   1.5946   29.755   1.6277 -0.2604580 2.278612 
1 1 1   17    9  -27 o   33.374   1.0933  149.811   9.8001  152.232   13.177  146.814   14.661   33.622   1.4591   32.963   1.6612 0.6585693 2.211065 
1 1 1   17    9  -26 o   54.728   0.9699  402.681   14.257  390.130   19.882  415.962   20.453   53.837   1.3750   55.592   1.3698 -1.754265 1.940860 
1 1 1   17    9  -25 o   56.021   0.9662  421.903   14.539  430.556   20.703  413.483   20.422   56.564   1.3627   55.431   1.3717 1.133541 1.933533 
1 1 1   17    9  -24 o   36.589   1.0157  179.982   9.9821  187.993   14.064  171.850   14.170   37.377   1.4009   35.732   1.4764 1.644783 2.035325 
1 1 1   17    9  -23 o   64.457   0.8909  558.384   15.424  561.751   20.348  553.836   23.648   64.633   1.1722   64.161   1.3723 0.4725494 1.804735 
1 1 1   17    9  -22 o   84.522   0.9265  960.149   21.032  958.031   29.704  962.279   29.785   84.396   1.3104   84.583   1.3111 -0.1868668 1.853642 
1 1 1   17    9  -21 o   10.214   1.7793   14.454   4.7036   24.854   6.5161   3.1384   6.7966   13.459   1.8515   6.5679   2.5986 6.891289 3.190734 
1 1 1   17    9  -20 o   21.306   1.0924   61.185   6.2305   50.846   7.8011   79.395   10.353   19.381   1.5105   24.237   1.5994 -4.855169 2.199961 
1 1 1   17    9  -19 o   74.984   1.0597  755.743   21.342  756.755   24.939  752.975   41.249   75.022   1.2377   74.756   2.0543 0.2659454 2.398374 
1 1 1   17    9  -18 o  103.773   0.9910  1447.27   27.621  1425.61   40.692  1465.77   37.613  102.949   1.4716  104.403   1.3413 -1.453880 1.991185 
1 1 1   17    9  -17 o   32.787   0.7836  144.432   6.9010  144.643   10.372  144.264   9.2440   32.803   1.1772   32.763   1.0505 0.3975296E-01 1.577791 
1 1 1   17    9  -16 o   27.242   0.8106   99.706   5.9308  103.151   7.6202   94.414   9.4457   27.705   1.0240   26.466   1.3331 1.238947 1.680996 
1 1 1   17    9  -15 o   86.206   0.9161  998.529   21.212  993.701   27.423  1005.72   33.469   85.982   1.1874   86.482   1.4409 -0.5006180 1.867098 
1 1 1   17    9  -14 o   91.875   1.0092  1134.26   24.905  1173.43   37.557  1103.51   33.272   93.414   1.4969   90.598   1.3673 2.815910 2.027349 
1 1 1   17    9  -13 o   44.710   0.7648  268.536   9.1845  276.763   11.862  256.222   14.513   45.385   0.9731   43.661   1.2376 1.723743 1.574323 
1 1 1   17    9  -12 o   48.741   0.7439  319.130   9.7380  317.461   12.941  321.310   14.786   48.607   0.9912   48.898   1.1259 -0.2901573 1.500009 
1 1 1   17    9  -11 o   10.967   1.4773   16.462   4.2408   18.633   5.8164   13.997   6.1963   11.614   1.9325   9.9958   2.3479 1.618229 3.040890 
1 1 1   17    9  -10 o   57.084   0.7816  437.744   11.983  439.910   18.598  436.207   15.670   57.214   1.2102   56.978   1.0239 0.2357254 1.585250 
1 1 1   17    9   -9 o  100.522   1.0073  1357.64   27.197  1326.92   42.335  1379.23   35.490   99.345   1.5866  101.303   1.3043 -1.957687 2.053895 
1 1 1   17    9   -8 o   80.557   0.9899  871.875   21.419  836.712   34.275  894.407   27.437   78.889   1.6176   81.581   1.2521 -2.692703 2.045574 
1 1 1   17    9   -7 f  115.913   1.0666  1805.21   33.205  1776.31   48.989  1829.77   45.162  114.949   1.5867  116.676   1.4411 -1.727325 2.143493 
1 1 1   17    9   -6 o   90.681   0.9076  1104.68   22.105  1108.60   33.070  1101.52   29.721   90.823   1.3556   90.539   1.2222 0.2840958 1.825220 
1 1 1   17    9   -5 o   59.892   0.7288  481.828   11.723  486.741   16.802  477.167   16.366   60.190   1.0393   59.596   1.0224 0.5944824 1.457897 
1 1 1   17    9   -4 o  122.704   1.1104  2022.93   36.596  1995.46   53.940  2046.37   49.815  121.834   1.6483  123.389   1.5031 -1.555130 2.230785 
1 1 1   17    9   -3 o   39.821   0.7912  213.005   8.4626  209.263   13.771  215.275   10.727   39.462   1.2992   40.030   0.9977 -0.5680275 1.638123 
1 1 1   17    9   -2 o   80.511   0.8515  870.742   18.414  904.089   27.965  845.218   24.467   82.025   1.2693   79.314   1.1485 2.711273 1.711815 
1 1 1   17    9   -1 o   48.744   0.7715  319.148   10.100  299.437   13.203  346.960   15.682   47.210   1.0412   50.816   1.1490 -3.606266 1.550565 
1 1 1   17    9    0 o   16.637   1.1551   37.368   5.1295   38.434   7.5805   36.467   6.9667   16.823   1.7011   16.393   1.6028 0.4298038 2.337203 
1 1 1   17    9    1 o  105.033   0.9514  1482.03   26.840  1526.40   38.633  1440.63   37.317  106.576   1.3496  103.539   1.3419 3.037109 1.903182 
1 1 1   17    9    2 o  169.988   1.3878  3883.36   63.361  3839.40   89.052  3928.43   90.170  168.964   1.9623  170.911   1.9643 -1.947647 2.776485 
1 1 1   17    9    3 o  121.669   1.2203  1989.13   39.878  1979.15   53.546  2001.56   59.756  121.336   1.6430  122.007   1.8235 -0.6707230 2.454536 
1 1 1   17    9    4 o  122.581   1.2272  2019.08   40.406  2049.71   54.782  1982.54   59.838  123.478   1.6518  121.424   1.8348 2.054779 2.468753 
1 1 1   17    9    5 o  118.590   1.0850  1889.55   34.559  1889.22   46.772  1889.95   51.289  118.558   1.4688  118.570   1.6105 -0.1274872E-01 2.179682 
1 1 1   17    9    6 o   57.522   0.7662  444.461   11.837  452.601   16.126  434.949   17.431   58.041   1.0344   56.895   1.1407 1.145725 1.539863 
1 1 1   17    9    7 f   47.750   0.7862  306.283   10.083  319.341   13.215  288.092   15.598   48.753   1.0092   46.301   1.2542 2.452007 1.609832 
1 1 1   17    9    8 o   65.584   0.7890  577.794   13.899  581.828   18.933  573.078   20.468   65.805   1.0712   65.306   1.1669 0.4996643 1.584027 
1 1 1   17    9    9 o  129.449   1.2812  2252.03   44.546  2246.29   66.729  2256.65   59.829  129.224   1.9226  129.543   1.7195 -0.3189850 2.579332 
1 1 1   17    9   10 o   43.884   0.7221  258.693   8.5109  263.582   12.064  253.849   12.009   44.292   1.0141   43.466   1.0286 0.8257904 1.444454 
1 1 1   17    9   11 o  102.682   0.9393  1416.56   25.906  1419.13   36.650  1414.00   36.625  102.752   1.3280  102.566   1.3295 0.1857071 1.879085 
1 1 1   17    9   12 o   78.825   0.8091  834.706   17.130  855.183   24.403  814.812   24.052   79.772   1.1389   77.866   1.1500 1.906181 1.618544 
1 1 1   17    9   13 o   28.694   0.8261  110.612   6.3666  104.812   8.7739  117.062   9.2527   27.926   1.1697   29.513   1.1672 -1.586922 1.652492 
1 1 1   17    9   14 o  127.998   1.1529  2201.94   39.637  2228.18   59.071  2180.44   53.458  128.698   1.7089  127.330   1.5631 1.368256 2.315945 
1 1 1   17    9   15 o   42.202   0.8393  239.291   9.5136  240.438   15.758  238.633   11.934   42.287   1.3873   42.139   1.0544 0.1483307 1.742569 
1 1 1   17    9   16 o   54.054   0.7923  392.548   11.504  389.116   17.564  395.127   15.223   53.802   1.2154   54.223   1.0453 -0.4208412 1.603076 
1 1 1   17    9   17 o   34.648   0.8698  161.308   8.0950  154.459   11.369  168.349   11.528   33.895   1.2488   35.388   1.2129 -1.492294 1.740888 
1 1 1   17    9   18 o   41.224   0.8853  228.363   9.8024  215.453   13.499  242.762   14.257   40.031   1.2555   42.492   1.2492 -2.461533 1.771118 
1 1 1   17    9   19 o   86.150   0.8986  997.342   20.792  982.506   30.466  1010.28   28.447   85.475   1.3270   86.683   1.2218 -1.208603 1.803856 
1 1 1   17    9   20 o  104.963   0.9665  1480.69   27.248  1480.53   41.882  1480.80   35.880  104.902   1.4865  104.937   1.2730 -0.3459930E-01 1.957064 
1 1 1   17    9   21 o   67.546   0.7838  613.051   14.219  610.192   21.599  615.238   18.890   67.365   1.1937   67.653   1.0396 -0.2879486 1.582930 
1 1 1   17    9   22 o   40.561   0.7822  221.060   8.5214  226.894   12.700  216.283   11.493   41.079   1.1510   40.110   1.0668 0.9687004 1.569345 
1 1 1   17    9   23 o   38.886   0.8589  203.220   8.9709  200.675   13.005  205.530   12.391   38.627   1.2535   39.095   1.1801 -0.4678040 1.721557 
1 1 1   17    9   24 o   33.903   0.8543  154.474   7.7791  160.527   11.097  148.625   10.908   34.548   1.1959   33.242   1.2217 1.306473 1.709599 
1 1 1   17    9   25 o   10.489   2.1182   15.380   5.7622   13.230   6.8421   20.625   10.686   9.7190   2.5785   12.113   3.2268 -2.393498 4.130472 
1 1 1   17    9   26 o   60.309   0.8259  488.848   13.379  484.353   17.145  495.847   21.394   60.015   1.0636   60.701   1.3122 -0.6865501 1.689133 
1 1 1   17    9   27 o   61.815   0.8088  513.600   13.428  524.183   17.875  499.892   20.344   62.429   1.0660   60.949   1.2427 1.479866 1.637296 
1 1 1   17    9   28 o   31.470   0.8675  133.146   7.3329  131.972   9.3210  135.053   11.879   31.320   1.1080   31.667   1.3966 -0.3469830 1.782716 
1 1 1   17    9   29 o   35.957   0.8029  173.812   7.7543  179.915   10.455  166.349   11.561   36.569   1.0644   35.153   1.2244 1.416035 1.622403 
1 1 1   17    9   30 o   69.659   0.9013  652.584   16.863  681.898   27.109  634.084   21.536   71.132   1.4189   68.632   1.1683 2.500427 1.837994 
1 1 1   17    9   31 o   21.692   1.1724   63.539   6.8054   68.204   7.9860   51.169   13.006   22.459   1.3298   19.233   2.5829 3.226192 2.905131 
1 1 1   17    9   32 o   42.930   0.8341  247.860   9.6172  252.578   12.445  240.863   15.154   43.317   1.0696   42.273   1.3346 1.043839 1.710345 
1 1 1   17    9   33 o   11.963   1.8194   19.789   5.6618   25.591   6.9768   8.5978   9.6896   13.611   1.9654   8.7259   3.1822 4.884914 3.740241 
1 1 1   17    9   34 o   6.2860   2.4159   3.6084   5.7369  -4.9234   6.8646   23.367   10.447   4.9477   2.2706   12.804   3.0761 -7.856409 3.823316 
1 1 1   17    9   35 f   12.592   1.7033   21.822   5.6128   24.651   7.0983   17.101   9.1687   13.332   2.0477   10.992   3.0150 2.340911 3.644619 
1 1 1   17    9   36 o   57.592   0.8206  446.196   12.693  455.806   16.972  433.997   19.122   58.172   1.0862   56.736   1.2548 1.436752 1.659674 
1 1 1   17    9   37 o   81.395   0.9523  891.888   20.819  903.165   29.586  880.826   29.302   81.809   1.3464   80.790   1.3503 1.019188 1.906919 
1 1 1   17    9   38 o   47.592   0.8407  304.797   10.746  299.938   14.879  310.094   15.537   47.166   1.1745   47.952   1.2063 -0.7866516 1.683644 
1 1 1   17    9   39 o   60.002   0.8183  484.509   13.187  490.117   18.205  478.318   19.128   60.293   1.1242   59.547   1.1960 0.7455215 1.641375 
1 1 1   17    9   40 o   28.431   1.0946  108.993   8.3588  114.887   10.897  100.570   13.028   29.153   1.3917   27.160   1.7961 1.993059 2.272145 
1 1 1   17    9   41 o   18.416   1.5885   46.292   7.7805   42.662   10.033   51.770   12.324   17.547   2.1754   19.287   2.4332 -1.739395 3.263843 
1 1 1   17    9   42 o   12.442   1.9553   21.576   6.3188   17.863   7.9412   27.982   10.432   11.166   2.6816   13.980   2.8744 -2.813668 3.931014 
1 1 1   17    9   43 o   43.882   0.8973  259.414   10.575  262.713   12.891  252.624   18.494   44.128   1.0876   43.159   1.5954 0.9690819 1.930844 
1 1 1   17    9   44 o   28.165   0.9892  106.941   7.4828  101.235   9.2998  117.418   12.602   27.370   1.2651   29.378   1.6031 -2.008543 2.042131 
1 1 1   17    9   45 o   35.663   0.8748  171.323   8.3793  178.613   10.877  160.680   13.142   36.379   1.1132   34.451   1.4203 1.927856 1.804535 
1 1 1   17    9   46 o   6.0669   2.4678   2.1435   6.3093  -4.5325   8.1502   12.127   9.9666   5.5402   2.5163   9.5761   3.2489 -4.035907 4.109357 
1 1 1   17    9   47 o   22.828   1.5252   71.031   9.2974   67.659   13.185   74.366   13.113   22.084   2.2544   23.202   2.1278 -1.117781 3.100044 
1 1 1   17    9   48 f   24.415   1.6099   81.450   10.498   79.152   13.623   84.808   16.471   23.908   2.1442   24.614   2.5272 -0.7056904 3.314289 
1 1 1   17    9   49 o   16.847   2.1582   39.743   9.5411   46.506   14.130   34.076   12.936   17.915   3.0454   15.202   3.2655 2.713382 4.465181 
1 1 1   17    9   50 o   7.7267   3.0408   5.5468   9.2603  -2.4371   13.111   13.494   13.081   7.4631   3.3046   10.183   3.6999 -2.719564 4.960792 
1 1 1   17    9   51 o   45.555   1.8416  286.201   22.533  287.753   28.273  283.500   37.307   45.269   2.3333   44.134   3.1683 1.134823 3.934743 
1 1 1   17    9   52 o   28.190   2.6526  114.363   19.849   82.930   26.519  154.400   29.930   22.588   4.5287   31.997   3.5419 -9.408890 5.749291 
1 1 1   17    9   53 o   14.741   4.6056   36.831   20.237   39.700   28.982   34.100   28.272   14.918   5.4940   14.151   5.3809 0.7677441 7.690115 
1 1 1   17   10  -52 o   15.623   5.1199   43.360   24.789   0.0000   0.0000   43.360   24.789  ?   ?    15.623   5.1199 0.000000 5.119933 
1 1 1   17   10  -51 o   17.241   3.8846   46.790   17.557   0.0000   0.0000   46.790   17.557  ?   ?    17.241   3.8846 0.000000 3.884623 
1 1 1   17   10  -50 o   7.1609   3.3191  -9.8902   15.197   4.5530   36.819 -12.8558   16.684   12.300   5.4867   7.2892   3.4115 5.011148 6.460811 
1 1 1   17   10  -49 o   19.806   2.5534   55.831   13.267   55.881   19.203   55.786   18.350   19.166   3.8639   19.248   3.6836 -0.8262444E-01 5.338393 
1 1 1   17   10  -48 o   8.4141   3.3021   6.7263   10.892  -9.9257   14.986   25.371   15.858   7.1831   3.3176   13.038   4.0775 -5.854800 5.256619 
1 1 1   17   10  -47 o   29.934   1.7146  122.559   13.728  126.788   19.600  118.487   19.233   30.172   2.4394   29.144   2.4806 1.028162 3.479140 
1 1 1   17   10  -46 o   20.555   1.7877   58.003   9.7713   58.571   12.932   57.247   14.917   20.483   2.3958   20.095   2.8433 0.3880444 3.718078 
1 1 1   17   10  -45 o   26.003   1.6410   92.212   11.402   92.262   14.237   92.122   19.041   25.896   2.0641   25.618   2.8136 0.2772236 3.489509 
1 1 1   17   10  -44 o   21.877   1.6790   65.391   9.7905   65.381   13.593   65.401   14.114   21.694   2.3713   21.668   2.4692 0.2660942E-01 3.423481 
1 1 1   17   10  -43 o   14.205   2.6746   28.723   9.8300   25.816   16.261   30.396   12.340   13.348   4.1216   14.471   3.2539 -1.122501 5.251189 
1 1 1   17   10  -42 o   27.236   1.9259  101.577   13.998   0.0000   0.0000  101.577   13.998  ?   ?    27.236   1.9259 0.000000 1.925911 
1 1 1   17   10  -41 o   24.767   1.4460   83.322   9.5771   85.454   13.560   81.200   13.528   24.944   2.0419   24.297   2.0933 0.6466522 2.924267 
1 1 1   17   10  -40 o   16.973   1.9165   39.693   8.5836   40.151   11.946   39.204   12.342   16.861   2.7313   16.617   2.8690 0.2440910 3.961221 
1 1 1   17   10  -39 o   31.547   1.3947  134.564   11.817  128.727   14.477  146.223   20.459   30.745   1.7604   32.602   2.3522 -1.857569 2.938028 
1 1 1   17   10  -38 o   60.169   1.0396  487.898   16.801  494.287   23.729  481.476   23.791   60.459   1.4613   59.664   1.4846 0.7952690 2.083089 
1 1 1   17   10  -37 o   44.150   1.0522  262.647   12.478  287.234   17.712  238.423   17.581   46.106   1.4303   41.982   1.5591 4.123890 2.115790 
1 1 1   17   10  -36 o   64.984   1.0435  568.847   18.214  575.500   25.680  562.113   25.837   65.267   1.4649   64.496   1.4915 0.7706146 2.090560 
1 1 1   17   10  -35 o   46.084   1.0999  286.113   13.614  290.186   17.950  280.598   20.888   46.358   1.4416   45.536   1.7079 0.8221130 2.234947 
1 1 1   17   10  -34 f   37.529   1.1803  189.797   11.897  207.474   15.484  164.319   18.589   39.200   1.4706   34.752   2.0000 4.448681 2.482437 
1 1 1   17   10  -33 o   52.735   0.9947  374.351   14.089  374.403   19.973  374.300   19.875   52.676   1.4117   52.670   1.4049 0.6103516E-02 1.991670 
1 1 1   17   10  -32 o   23.831   1.9001   77.366   12.061  120.900   39.818   72.969   12.656   28.699   5.3629   23.110   2.0605 5.588720 5.745111 
1 1 1   17   10  -31 o   4.3372   2.1018 -12.5852   7.5789  -6.7569   9.4492 -23.0968   12.690   5.7966   2.6616   5.4455   2.6569 0.3511162 3.760769 
1 1 1   17   10  -30 f   42.739   1.2843  246.122   14.743  224.257   22.527  262.503   19.499   40.637   2.0708   44.091   1.6465 -3.453876 2.645578 
1 1 1   17   10  -29 o   43.962   1.3099  260.386   15.467  256.597   20.494  265.401   23.576   43.587   1.7506   44.293   1.9818 -0.7058792 2.644235 
1 1 1   17   10  -28 o   62.717   1.0715  529.290   18.049  530.816   23.438  527.067   28.293   62.765   1.3903   62.495   1.6856 0.2706757 2.184973 
1 1 1   17   10  -27 o   22.573   1.3830   68.889   8.3443   73.707   11.544   63.617   12.076   23.291   1.8608   21.589   2.1095 1.702116 2.812919 
1 1 1   17   10  -26 o   37.789   0.8877  191.993   9.0105  187.486   11.340  199.712   14.840   37.330   1.1310   38.506   1.4349 -1.176510 1.827033 
1 1 1   17   10  -25 o   60.008   0.8928  484.090   14.390  484.439   18.854  483.603   22.269   60.007   1.1698   59.934   1.3834 0.7308578E-01 1.811678 
1 1 1   17   10  -24 o  107.314   1.0753  1548.75   30.994  1569.22   44.086  1528.75   43.583  107.947   1.5205  106.545   1.5230 1.401741 2.152091 
1 1 1   17   10  -23 o   51.834   0.8732  361.122   12.157  356.288   18.742  364.634   15.973   51.455   1.3562   52.069   1.1421 -0.6146965 1.772998 
1 1 1   17   10  -22 o   8.1630   2.0884   9.3324   4.5974   0.0291   5.9310   23.338   7.2770   5.4551   2.3185   12.979   2.1636 -7.524100 3.171246 
1 1 1   17   10  -21 o   81.200   0.9152  886.201   19.959  894.538   28.258  877.899   28.196   81.548   1.2901   80.785   1.2995 0.7629471 1.831124 
1 1 1   17   10  -20 o   12.521   1.4487   21.376   4.7820   19.704   7.6336   22.457   6.1350   11.860   2.4762   12.781   1.8402 -0.9207821 3.085097 
1 1 1   17   10  -19 o   48.923   0.7516  321.592   9.8768  323.032   14.848  320.449   13.227   49.017   1.1278   48.826   1.0086 0.1908112 1.513051 
1 1 1   17   10  -18 o   56.753   0.8445  432.824   12.874  433.766   17.408  431.687   19.125   56.801   1.1411   56.658   1.2567 0.1430016 1.697470 
1 1 1   17   10  -17 o   29.903   0.8738  120.165   7.0185  130.336   9.4924  107.898   10.424   31.137   1.1350   28.323   1.3703 2.813437 1.779312 
1 1 1   17   10  -16 o   13.516   1.3226   24.800   4.7398   20.111   5.4860   38.605   9.4135   12.100   1.7378   16.791   2.1356 -4.690813 2.753330 
1 1 1   17   10  -15 o   63.322   0.8063  538.742   13.714  559.430   18.023  510.294   21.135   64.516   1.0401   61.605   1.2773 2.910995 1.647218 
1 1 1   17   10  -14 o   15.830   1.2170   33.886   5.1347   30.000   5.9365   45.430   10.231   14.858   1.5085   18.240   2.1283 -3.382481 2.608688 
1 1 1   17   10  -13 o  150.708   1.2544  3053.49   50.777  3016.48   71.252  3091.68   72.380  149.713   1.7719  151.566   1.7780 -1.853363 2.510177 
1 1 1   17   10  -12 o   58.972   0.7573  467.205   11.996  485.515   17.910  452.308   16.154   60.103   1.1094   58.014   1.0367 2.088856 1.518427 
1 1 1   17   10  -11 o   72.810   0.7734  712.195   15.125  684.422   21.034  741.928   21.765   71.362   1.0974   74.300   1.0906 -2.937859 1.547169 
1 1 1   17   10  -10 o   42.500   0.8009  242.661   9.1429  236.627   15.025  246.209   11.521   41.954   1.3334   42.805   1.0021 -0.8507996 1.667992 
1 1 1   17   10   -9 f   58.662   0.7262  462.287   11.443  463.915   16.251  460.686   16.115   58.757   1.0297   58.552   1.0247 0.2047119 1.452715 
1 1 1   17   10   -8 o   80.339   0.8513  867.136   18.369  891.990   27.764  847.786   24.496   81.463   1.2689   79.425   1.1483 2.037880 1.711334 
1 1 1   17   10   -7 o   68.239   0.7568  625.550   13.870  624.011   19.673  627.071   19.558   68.145   1.0748   68.312   1.0659 -0.1672134 1.513784 
1 1 1   17   10   -6 o  127.638   1.1988  2189.46   41.099  2196.28   65.010  2184.92   53.044  127.767   1.8944  127.474   1.5493 0.2923737 2.447239 
1 1 1   17   10   -5 o   81.901   0.8942  901.186   19.670  937.919   31.487  877.674   25.191   83.529   1.4035   80.815   1.1605 2.714699 1.821133 
1 1 1   17   10   -4 o   41.952   0.8064  236.428   9.0868  212.953   15.306  249.206   11.292   39.801   1.4317   43.067   0.9762 -3.266178 1.732870 
1 1 1   17   10   -3 o  103.253   1.0815  1432.56   29.994  1392.21   51.002  1453.89   37.085  101.733   1.8665  104.005   1.3275 -2.271927 2.290478 
1 1 1   17   10   -2 o  128.267   1.3452  2211.38   46.346  2269.93   93.575  2192.35   53.348  129.790   2.6843  127.696   1.5554 2.093773 3.102381 
1 1 1   17   10   -1 o   59.957   0.8333  482.928   13.420  456.691   22.607  497.203   16.676   58.287   1.4441   60.832   1.0206 -2.545128 1.768330 
1 1 1   17   10    0 o   64.244   0.8490  554.466   14.649  544.206   21.932  562.731   19.684   63.633   1.2832   64.713   1.1325 -1.079456 1.711473 
1 1 1   17   10    1 o   73.603   0.8932  727.804   17.657  736.166   26.634  721.248   23.585   74.007   1.3399   73.260   1.1986 0.7475815 1.797768 
1 1 1   17   10    2 o   17.711   1.2958   42.384   6.1214   39.251   8.7248   45.421   8.5905   16.970   1.9496   18.292   1.7707 -1.322277 2.633686 
1 1 1   17   10    3 o  110.959   1.0335  1654.27   30.802  1683.60   46.207  1630.82   41.323  111.904   1.5373  110.146   1.3968 1.757355 2.077120 
1 1 1   17   10    4 o   44.668   0.7684  268.029   9.2185  253.397   14.263  278.527   12.081   43.422   1.2229   45.530   0.9879 -2.107990 1.572093 
1 1 1   17   10    5 o  105.411   1.0435  1493.04   29.543  1519.02   47.013  1476.08   37.979  106.282   1.6469  104.792   1.3493 1.489716 2.129067 
1 1 1   17   10    6 o  168.381   1.5920  3812.49   72.000  3797.62  107.650  3824.53   96.851  167.918   2.3869  168.559   2.1392 -0.6416168 3.205217 
1 1 1   17   10    7 o  106.687   1.1787  1529.68   33.775  1500.86   54.215  1547.97   43.178  105.615   1.9112  107.299   1.4982 -1.684090 2.428449 
1 1 1   17   10    8 o   26.817   1.1414   96.648   8.2217  114.796   13.394   85.677   10.414   29.163   1.7176   25.195   1.5465 3.968678 2.311205 
1 1 1   17   10    9 f   53.416   0.8233  383.332   11.811  374.485   17.463  390.793   16.036   52.784   1.2318   53.925   1.1072 -1.141506 1.656209 
1 1 1   17   10   10 o  130.502   1.2897  2289.41   45.208  2314.24   68.029  2269.77   60.499  131.128   1.9315  129.890   1.7341 1.238464 2.595773 
1 1 1   17   10   11 o   84.359   0.9148  956.192   20.727  991.569   33.027  933.205   26.622   85.873   1.4319   83.324   1.1896 2.549248 1.861592 
1 1 1   17   10   12 o   37.784   0.8000  191.804   8.1192  180.721   12.173  200.685   10.897   36.666   1.2361   38.643   1.0499 -1.977489 1.621796 
1 1 1   17   10   13 o   67.605   0.7938  614.057   14.414  597.025   20.920  629.449   19.888   66.645   1.1687   68.435   1.0820 -1.790314 1.592664 
1 1 1   17   10   14 o   31.439   0.8038  132.801   6.7878  136.902   9.3390  128.208   9.8830   31.915   1.0895   30.882   1.1915 1.032534 1.614491 
1 1 1   17   10   15 o   61.425   0.7524  506.922   12.414  505.252   17.404  508.652   17.710   61.311   1.0569   61.517   1.0719 -0.2052155 1.505294 
1 1 1   17   10   16 o   90.666   0.9584  1104.74   23.339  1105.46   32.674  1103.99   33.348   90.664   1.3418   90.601   1.3704 0.6317902E-01 1.917903 
1 1 1   17   10   17 o   81.620   0.9070  895.250   19.884  909.567   25.883  874.632   31.060   82.251   1.1716   80.634   1.4342 1.617599 1.851879 
1 1 1   17   10   18 o   46.660   0.7775  292.529   9.7439  291.324   14.132  293.622   13.453   46.550   1.1303   46.736   1.0717 -0.1858139 1.557607 
1 1 1   17   10   19 o   91.956   0.8888  1136.40   21.952  1126.49   30.826  1146.59   31.270   91.523   1.2540   92.335   1.2609 -0.8121643 1.778278 
1 1 1   17   10   20 o   52.175   0.7777  365.797   10.898  371.534   16.036  360.873   14.856   52.566   1.1358   51.810   1.0676 0.7560081 1.558768 
1 1 1   17   10   21 o   17.913   1.2816   43.381   6.1254   50.363   8.4947   35.817   8.8410   19.269   1.6575   16.164   2.0849 3.104189 2.663505 
1 1 1   17   10   22 o  106.898   1.1264  1536.66   32.342  1586.25   48.856  1497.98   43.151  108.522   1.6761  105.486   1.5230 3.035728 2.264708 
1 1 1   17   10   23 o   58.613   0.8510  461.737   13.397  470.241   18.464  452.282   19.468   59.129   1.1626   57.982   1.2501 1.146912 1.707147 
1 1 1   17   10   24 o   72.529   0.8539  707.071   16.635  711.075   24.132  703.446   22.963   72.699   1.2359   72.314   1.1823 0.3854218 1.710306 
1 1 1   17   10   25 o   71.314   0.8399  683.615   16.089  656.366   23.077  709.383   22.441   69.842   1.2302   72.616   1.1506 -2.774834 1.684431 
1 1 1   17   10   26 o   10.482   1.9656   15.314   5.3304   13.708   6.7767   17.920   8.6321   9.8725   2.5408   11.270   2.8499 -1.397696 3.818018 
1 1 1   17   10   27 o   31.692   0.8584  135.036   7.3071  129.418   9.6489  142.591   11.189   31.011   1.1584   32.543   1.2801 -1.532433 1.726445 
1 1 1   17   10   28 o   42.540   0.8566  243.331   9.7874  252.561   13.928  234.327   13.757   43.313   1.1972   41.717   1.2277 1.595490 1.714842 
1 1 1   17   10   29 o   62.175   0.9205  519.978   15.371  517.713   20.044  523.212   23.951   62.005   1.2036   62.298   1.4314 -0.2935410 1.870137 
1 1 1   17   10   30 f   33.299   0.8641  149.132   7.7280  146.318   10.202  152.920   11.838   32.964   1.1522   33.686   1.3084 -0.7224655 1.743405 
1 1 1   17   10   31 o   7.6382   2.3511   7.9236   5.2963   5.2099   6.6179   12.758   8.8331   7.0421   2.6192   9.6937   3.0450 -2.651552 4.016511 
1 1 1   17   10   32 o   49.041   0.7757  323.420   10.217  328.553   13.957  317.493   14.998   49.400   1.0519   48.550   1.1502 0.8504753 1.558629 
1 1 1   17   10   33 o   50.956   0.8276  349.259   11.327  360.309   15.694  337.248   16.363   51.719   1.1298   50.025   1.2178 1.694630 1.661185 
1 1 1   17   10   34 f   70.729   0.8656  673.071   16.443  667.451   21.651  680.731   25.276   70.384   1.1453   71.042   1.3247 -0.6578827 1.751103 
1 1 1   17   10   35 o   57.507   0.8921  445.046   13.779  428.012   18.798  464.829   20.257   56.340   1.2422   58.705   1.2847 -2.364971 1.787058 
1 1 1   17   10   36 o   45.816   0.8844  282.515   10.883  296.131   14.365  264.172   16.673   46.873   1.1410   44.230   1.4034 2.642582 1.808754 
1 1 1   17   10   37 o   11.940   1.9678   19.861   6.0910   22.446   7.3438   14.161   10.903   12.653   2.2430   10.288   3.3967 2.364474 4.070481 
1 1 1   17   10   38 o   7.4299   2.4797   7.1687   5.8051   12.843   7.3576  -2.1878   9.4483   9.5456   2.7315   6.4317   2.8284 3.113824 3.932050 
1 1 1   17   10   39 o   39.544   1.0515  210.814   11.168  200.782   13.410  233.526   20.178   38.553   1.2950   41.462   1.8119 -2.908821 2.227106 
1 1 1   17   10   40 o   36.440   0.9208  178.890   9.0119  192.620   11.790  159.593   13.977   37.777   1.1619   34.326   1.5160 3.451191 1.910096 
1 1 1   17   10   41 o   60.611   0.8433  494.732   13.729  495.942   16.774  492.276   23.895   60.644   1.0298   60.289   1.4756 0.3552017 1.799407 
1 1 1   17   10   42 o   28.540   1.0018  109.824   7.6794  115.393   9.4322   98.874   13.226   29.229   1.2015   26.891   1.8422 2.337448 2.199399 
1 1 1   17   10   43 o   31.010   1.0094  129.674   8.4076  137.427   10.992  118.744   13.052   31.883   1.2836   29.528   1.6523 2.355167 2.092312 
1 1 1   17   10   44 o   27.194   1.1575   99.861   8.4547   98.909   11.542  100.963   12.420   26.950   1.6017   27.204   1.7084 -0.2537403 2.341853 
1 1 1   17   10   45 o   32.108   1.0746  139.141   9.2671  138.215   12.829  140.151   13.400   31.927   1.4961   32.138   1.5524 -0.2110004 2.156010 
1 1 1   17   10   46 o   39.986   1.0099  215.743   10.847  228.890   14.634  199.717   16.158   41.115   1.3252   38.343   1.5689 2.772144 2.053651 
1 1 1   17   10   47 o   21.022   1.6694   60.572   9.3487   59.043   12.873   62.278   13.599   20.543   2.3770   21.080   2.4473 -0.5371208 3.411650 
1 1 1   17   10   48 o   14.433   2.2052   29.384   8.2773   28.941   10.818   30.010   12.855   14.082   2.9546   14.199   3.4130 -0.1176357 4.514186 
1 1 1   17   10   49 o   28.445   1.6330  111.018   12.424  115.683   21.924  108.811   15.079   28.402   2.9153   28.005   2.0183 0.3967113 3.545794 
1 1 1   17   10   50 o   7.0647   3.1719  -3.8217   12.520   2.5094   18.531  -9.1386   16.982   9.3311   4.0339   7.7071   3.5496 1.624072 5.373240 
1 1 1   17   10   51 o   22.323   2.6151   71.890   15.382   63.157   19.477   86.370   25.078   20.221   3.7232   23.379   4.1455 -3.157528 5.571989 
1 1 1   17   10   52 o   21.652   2.3817   67.350   13.622   62.309   19.087   72.582   19.446   19.952   3.6980   21.765   3.4408 -1.813318 5.051151 
1 1 1   17   10   53 o   21.530   2.4131   67.228   13.714   69.460   20.989   65.565   18.116   20.732   3.9127   20.553   3.4005 0.1788349 5.183882 
1 1 1   17   11  -51 f   19.138   5.0788   64.930   26.539   0.0000   0.0000   64.930   26.539  ?   ?    19.138   5.0788 0.000000 5.078820 
1 1 1   17   11  -50 o   7.7677   3.5401  -6.1433   16.309   0.0000   0.0000  -6.1433   16.309  ?   ?    7.7677   3.5401 0.000000 3.540123 
1 1 1   17   11  -49 o   20.285   3.1222   60.677   16.465   46.680   37.904   63.932   18.280   16.379   6.2299   20.660   3.4134 -4.281553 7.103756 
1 1 1   17   11  -48 o   17.132   2.8022   42.498   12.449   48.851   17.556   36.072   17.655   17.924   3.7664   15.197   4.1901 2.726665 5.634080 
1 1 1   17   11  -47 o   43.702   1.4066  259.600   16.511  269.935   23.710  249.871   23.005   44.297   1.9928   42.610   2.0101 1.686840 2.830513 
1 1 1   17   11  -46 o   7.4818   3.1428   1.9794   10.692   14.076   15.021 -10.4447   15.223   10.685   3.9515   7.2262   3.3397 3.458583 5.173795 
1 1 1   17   11  -45 o   26.258   1.9866   94.867   13.908  104.331   18.275   81.844   21.438   27.353   2.5157   23.808   3.4534 3.545135 4.272560 
1 1 1   17   11  -44 o   17.861   2.2129   44.400   10.389   36.321   13.027   58.515   17.219   15.841   3.1724   20.168   3.2924 -4.326809 4.572118 
1 1 1   17   11  -43 o   6.8391   2.8325   2.0654   8.5063   17.241   12.166 -12.4476   11.898   11.111   3.5831   6.0097   2.8339 5.101634 4.568343 
1 1 1   17   11  -42 o   32.914   1.3661  146.627   12.077  157.133   20.113  140.703   15.104   33.787   2.2289   32.115   1.7577 1.672020 2.838511 
1 1 1   17   11  -41 o   34.603   1.7149  162.758   15.939   0.0000   0.0000  162.758   15.939  ?   ?    34.603   1.7149 0.000000 1.714939 
1 1 1   17   11  -40 o   38.381   1.1313  198.854   11.662  206.812   16.618  191.131   16.370   39.045   1.5846   37.526   1.6242 1.518986 2.269132 
1 1 1   17   11  -39 o   42.576   1.1049  244.593   12.635  228.059   17.636  262.034   18.113   41.005   1.6012   43.972   1.5336 -2.966263 2.217185 
1 1 1   17   11  -38 o   15.173   2.4263   32.319   9.5551   31.120   11.738   34.675   16.450   14.716   3.0691   15.348   3.9632 -0.6313610 5.012567 
1 1 1   17   11  -37 o   34.788   1.1791  163.296   11.017  168.157   15.291  158.049   15.888   35.229   1.6160   34.087   1.7411 1.142345 2.375515 
1 1 1   17   11  -36 o   6.9189   2.7562   3.5275   7.6945 -13.3643   10.430   23.699   11.398   5.4148   2.5822   12.827   3.2918 -7.411839 4.183758 
1 1 1   17   11  -35 f   28.957   1.2549  113.131   9.7604  108.379   13.289  118.696   14.382   28.226   1.7617   29.531   1.8221 -1.304937 2.534488 
1 1 1   17   11  -34 o   23.902   1.5130   77.510   9.6630   69.659   12.667   88.438   14.945   22.541   2.1171   25.399   2.2128 -2.858017 3.062473 
1 1 1   17   11  -33 o   69.961   1.1193  659.467   21.033  658.068   27.525  661.431   32.609   69.805   1.4681   69.905   1.7367 -0.1001434 2.274075 
1 1 1   17   11  -32 o   27.421   1.2661  101.382   9.3253   91.391   13.071  111.738   13.308   25.904   1.8917   28.686   1.7354 -2.781820 2.567121 
1 1 1   17   11  -31 o   20.718   2.0796   58.806   11.416   57.900   35.079   58.914   12.073   19.760   6.0457   20.712   2.2041 -0.9522705 6.434922 
1 1 1   17   11  -30 o   24.380   1.4469   80.485   9.4321   87.590   12.131   69.622   15.000   25.384   1.7907   22.470   2.5293 2.913954 3.099039 
1 1 1   17   11  -29 o   28.161   1.3708  106.936   10.368  107.639   14.156  106.122   15.230   28.142   1.8836   27.912   2.0457 0.2295418 2.780801 
1 1 1   17   11  -28 o   49.000   1.0196  323.116   13.419  323.664   18.809  322.548   19.152   48.992   1.4294   48.903   1.4581 0.8860016E-01 2.041821 
1 1 1   17   11  -27 o   32.560   1.0545  142.667   9.2220  141.568   10.563  146.189   18.913   32.423   1.2129   32.781   2.1602 -0.3578720 2.477438 
1 1 1   17   11  -26 o   43.149   0.8183  250.325   9.4831  256.434   13.298  244.004   13.527   43.649   1.1343   42.574   1.1830 1.075134 1.638901 
1 1 1   17   11  -25 o   46.468   0.8086  290.285   10.092  303.708   14.269  276.850   14.275   47.508   1.1182   45.354   1.1718 2.153717 1.619763 
1 1 1   17   11  -24 o   50.820   0.8152  347.172   11.127  348.492   15.598  345.803   15.878   50.893   1.1411   50.694   1.1662 0.1988373 1.631578 
1 1 1   17   11  -23 o   38.746   0.8312  201.796   8.6506  204.628   12.178  198.911   12.291   39.000   1.1625   38.449   1.1901 0.5503769 1.663710 
1 1 1   17   11  -22 o   24.080   0.9784   77.961   6.3280   68.070   8.7466   88.823   9.1663   22.437   1.4593   25.655   1.3349 -3.217840 1.977737 
1 1 1   17   11  -21 f   79.754   0.9608  855.122   20.580  841.901   27.436  872.133   31.122   79.101   1.2913   80.490   1.4396 -1.388893 1.933896 
1 1 1   17   11  -20 o   64.124   0.8156  552.614   14.047  550.165   21.567  554.418   18.513   63.950   1.2556   64.212   1.0734 -0.2615166 1.651892 
1 1 1   17   11  -19 o   87.001   0.9754  1017.51   22.793  1004.48   33.781  1028.39   30.882   86.391   1.4558   87.430   1.3151 -1.039673 1.961861 
1 1 1   17   11  -18 o   43.518   0.9100  254.533   10.636  243.275   16.719  262.187   13.786   42.517   1.4640   44.156   1.1624 -1.638805 1.869404 
1 1 1   17   11  -17 o  111.280   0.9960  1664.55   29.768  1678.71   42.170  1650.48   42.026  111.700   1.4056  110.756   1.4127 0.9442673 1.992857 
1 1 1   17   11  -16 o   23.503   0.8872   74.238   5.6005   74.171   7.1132   74.347   9.0839   23.487   1.1276   23.462   1.4486 0.2540970E-01 1.835702 
1 1 1   17   11  -15 o   91.489   0.9579  1124.99   23.538  1085.03   29.844  1190.75   38.286   89.826   1.2370   94.068   1.5153 -4.242676 1.956103 
1 1 1   17   11  -14 o   92.460   1.0180  1149.07   25.281  1161.16   31.067  1125.36   43.498   92.925   1.2447   91.420   1.7715 1.504883 2.165046 
1 1 1   17   11  -13 o   55.270   0.8701  410.497   12.916  405.022   14.998  426.218   25.413   54.894   1.0172   56.271   1.6814 -1.377159 1.965186 
1 1 1   17   11  -12 o   70.754   0.8556  672.687   16.260  695.295   26.167  658.468   20.752   71.902   1.3550   69.989   1.1039 1.913200 1.747733 
1 1 1   17   11  -11 f  107.448   0.9686  1551.56   27.954  1552.16   39.483  1550.96   39.582  107.431   1.3683  107.389   1.3723 0.4206085E-01 1.937906 
1 1 1   17   11  -10 o   74.185   0.8243  739.457   16.425  755.274   24.737  726.985   21.966   74.952   1.2288   73.542   1.1121 1.409767 1.657290 
1 1 1   17   11   -9 o   40.084   0.7200  215.853   7.7513  215.724   10.954  215.982   10.970   40.065   1.0179   40.088   1.0188 -0.2392197E-01 1.440195 
1 1 1   17   11   -8 o  147.438   1.2324  2922.32   48.805  2934.31   69.177  2910.44   68.864  147.663   1.7442  147.062   1.7434 0.6017761 2.466118 
1 1 1   17   11   -7 o   28.677   0.7961  110.490   6.1317  115.984   8.7976  105.300   8.5507   29.376   1.1150   27.990   1.1374 1.386173 1.592778 
1 1 1   17   11   -6 o   85.360   0.8397  978.966   19.252  994.772   27.501  963.776   26.960   86.027   1.1902   84.676   1.1854 1.350517 1.679826 
1 1 1   17   11   -5 o   69.218   0.7645  643.665   14.213  630.364   20.065  657.057   20.134   68.486   1.0908   69.922   1.0721 -1.435867 1.529462 
1 1 1   17   11   -4 o   53.462   0.7199  383.966   10.337  380.865   14.762  386.949   14.480   53.237   1.0324   53.661   1.0047 -0.4244881 1.440544 
1 1 1   17   11   -3 o   81.741   0.8222  897.667   18.051  910.041   25.813  885.825   25.251   82.285   1.1680   81.183   1.1580 1.101578 1.644733 
1 1 1   17   11   -2 o  117.629   1.0781  1859.48   34.060  1903.65   51.207  1824.44   45.613  118.967   1.6026  116.481   1.4579 2.485855 2.166516 
1 1 1   17   11   -1 o  106.082   1.0518  1512.27   29.967  1428.79   46.179  1573.00   39.387  103.061   1.6682  108.167   1.3557 -5.106415 2.149643 
1 1 1   17   11    0 o   43.246   0.8337  251.266   9.6840  264.227   13.523  237.622   13.875   44.340   1.1355   42.045   1.2286 2.294258 1.672962 
1 1 1   17   11    1 o   38.868   0.7724  202.957   8.0635  208.901   11.174  196.498   11.648   39.427   1.0551   38.237   1.1342 1.190346 1.549097 
1 1 1   17   11    2 o   71.666   0.7748  690.003   14.914  674.857   21.041  705.298   21.144   70.862   1.1055   72.444   1.0867 -1.581459 1.550141 
1 1 1   17   11    3 o  103.674   0.9468  1444.22   26.364  1449.89   37.457  1438.66   37.113  103.848   1.3429  103.446   1.3358 0.4026718 1.894100 
1 1 1   17   11    4 o  184.012   1.4906  4553.52   73.669  4471.49  103.136  4638.97  105.264  182.222   2.1072  185.602   2.1116 -3.380203 2.983155 
1 1 1   17   11    5 o   23.475   0.9720   74.052   6.1288   56.751   9.3485   87.093   8.1163   20.466   1.7165   25.455   1.1871 -4.988556 2.087020 
1 1 1   17   11    6 o   38.145   0.8123  195.492   8.3228  193.343   13.396  196.844   10.622   37.922   1.3152   38.272   1.0333 -0.3499298 1.672523 
1 1 1   17   11    7 o   76.774   0.8833  791.981   18.215  796.569   25.863  787.466   25.659   76.976   1.2509   76.535   1.2482 0.4409332 1.767141 
1 1 1   17   11    8 o   82.215   0.8659  908.198   19.122  901.722   25.765  916.139   28.531   81.904   1.1712   82.548   1.2868 -0.6441498 1.739996 
1 1 1   17   11    9 o   96.231   0.9458  1244.41   24.447  1242.90   33.061  1246.23   36.312   96.147   1.2802   96.265   1.4044 -0.1172180 1.900360 
1 1 1   17   11   10 o   81.391   0.8622  890.125   18.849  883.131   25.444  898.632   28.061   81.052   1.1688   81.753   1.2780 -0.7003098 1.731807 
1 1 1   17   11   11 f   92.827   0.9244  1157.96   23.047  1163.57   31.240  1151.25   34.140   93.027   1.2503   92.522   1.3738 0.5051498 1.857576 
1 1 1   17   11   12 o   28.686   0.8288  110.566   6.3858  112.646   8.8232  108.279   9.2541   28.947   1.1348   28.379   1.2141 0.5687332 1.661877 
1 1 1   17   11   13 o   79.783   0.8183  855.310   17.536  877.112   25.003  834.203   24.601   80.772   1.1525   78.771   1.1628 2.001274 1.637148 
1 1 1   17   11   14 o   63.987   0.7579  550.119   13.025  558.108   18.321  541.954   18.522   64.435   1.0586   63.494   1.0861 0.9409637 1.516614 
1 1 1   17   11   15 o   58.683   0.7453  462.701   11.747  459.916   16.431  465.612   16.800   58.493   1.0459   58.853   1.0628 -0.3601913 1.491103 
1 1 1   17   11   16 o   53.329   0.9060  382.212   12.978  396.679   16.652  359.832   20.711   54.317   1.1414   51.711   1.4912 2.605709 1.877895 
1 1 1   17   11   17 o   64.866   0.8462  565.444   14.743  565.958   18.918  564.649   23.526   64.881   1.0856   64.787   1.3520 0.9481812E-01 1.733880 
1 1 1   17   11   18 o   24.548   0.9711   81.001   6.4026   75.009   8.2430   90.114   10.165   23.578   1.3068   25.835   1.4711 -2.257105 1.967651 
1 1 1   17   11   19 o   48.694   0.8678  318.683   11.350  316.184   14.939  322.094   17.455   48.489   1.1470   48.929   1.3282 -0.4398193 1.754934 
1 1 1   17   11   20 o   47.022   0.8170  297.154   10.319  295.928   14.064  298.584   15.187   46.910   1.1163   47.115   1.2001 -0.2050629 1.638983 
1 1 1   17   11   21 f   20.267   1.2343   55.466   6.6870   55.682   9.0521   55.207   9.9214   20.260   1.6786   20.151   1.8539 0.1095505 2.500898 
1 1 1   17   11   22 o   26.125   0.9113   91.751   6.3943   88.361   8.6749   95.785   9.4622   25.626   1.2604   26.678   1.3205 -1.052248 1.825474 
1 1 1   17   11   23 o   13.722   1.5578   25.694   5.6400   19.599   7.7229   32.660   8.2559   11.811   2.5118   15.419   2.0438 -3.608774 3.238286 
1 1 1   17   11   24 o   21.124   1.1041   60.197   6.2425   69.255   8.8929   51.399   8.7649   22.626   1.4713   19.450   1.6947 3.175802 2.244292 
1 1 1   17   11   25 o   23.613   1.0297   75.008   6.5309   82.679   9.2767   67.470   9.1959   24.734   1.4021   22.320   1.5435 2.414820 2.085247 
1 1 1   17   11   26 o   7.0709   2.4813   5.9935   5.8302  -0.8594   8.6183   11.776   7.9166   6.3842   2.7554   9.3070   2.8761 -2.922752 3.983012 
1 1 1   17   11   27 o   51.523   0.8511  356.992   11.778  356.085   16.147  358.023   17.217   51.427   1.1690   51.558   1.2433 -0.1311302 1.706562 
1 1 1   17   11   28 o   45.933   0.8939  283.794   11.028  281.098   15.267  286.736   15.948   45.679   1.2444   46.130   1.2871 -0.4508476 1.790283 
1 1 1   17   11   29 o   69.022   0.8339  640.748   15.459  653.030   20.942  626.042   22.917   69.639   1.1196   68.161   1.2518 1.477112 1.679424 
1 1 1   17   11   30 o   83.317   0.8700  933.845   19.469  908.210   26.831  962.349   28.293   82.098   1.2168   84.502   1.2466 -2.404465 1.742002 
1 1 1   17   11   31 o   42.034   0.7980  237.647   9.0099  241.334   12.149  233.141   13.431   42.334   1.0685   41.594   1.2022 0.7398338 1.608410 
1 1 1   17   11   32 o   32.861   0.9622  145.354   8.4928  147.266   11.800  143.299   12.233   33.042   1.3296   32.587   1.3977 0.4556122 1.929078 
1 1 1   17   11   33 o   47.064   0.8574  298.039   10.838  312.073   16.053  286.284   14.692   48.109   1.2424   46.086   1.1869 2.022579 1.718199 
1 1 1   17   11   34 o   50.344   0.8121  340.992   10.981  363.235   15.600  319.152   15.458   51.918   1.1187   48.655   1.1829 3.262192 1.628112 
1 1 1   17   11   35 f   16.789   1.3892   38.326   6.2081   36.586   7.8842   41.164   10.071   16.326   1.8294   17.246   2.2261 -0.9196262 2.881334 
1 1 1   17   11   36 o   48.965   0.8189  322.667   10.769  327.867   14.659  316.571   15.873   49.315   1.1067   48.438   1.2201 0.8770561 1.647242 
1 1 1   17   11   37 o   20.800   1.2663   58.631   7.0408   69.103   8.6362   37.875   12.158   22.561   1.4326   16.344   2.8746 6.216660 3.211803 
1 1 1   17   11   38 o   36.110   1.0934  175.884   10.604  176.552   12.393  174.056   20.492   36.150   1.2763   35.638   2.1509 0.5123405 2.501089 
1 1 1   17   11   39 o   20.465   1.3116   56.850   7.1718   58.377   8.4454   52.899   13.581   20.700   1.5298   19.412   2.6758 1.288027 3.082263 
1 1 1   17   11   40 o   31.861   0.9128  136.788   7.8117  135.760   9.3636  139.142   14.168   31.717   1.0991   31.970   1.6556 -0.2528152 1.987274 
1 1 1   17   11   41 o   36.726   0.9425  181.800   9.2967  196.443   11.030  145.887   17.274   38.155   1.0763   32.638   1.9799 5.516361 2.253535 
1 1 1   17   11   42 o   32.292   0.9077  140.523   7.8729  148.446   9.8503  126.509   13.100   33.162   1.1059   30.487   1.6055 2.675205 1.949485 
1 1 1   17   11   43 o   13.958   1.6631   26.833   6.1122   18.398   7.4321   44.461   10.744   11.342   2.5064   17.860   2.2927 -6.517980 3.396836 
1 1 1   17   11   44 o   21.140   1.2500   60.644   7.0663   56.305   8.9960   67.635   11.418   20.285   1.6659   22.176   1.9364 -1.891834 2.554334 
1 1 1   17   11   45 o   22.005   1.3843   65.881   8.1397   69.989   12.006   62.387   11.073   22.527   2.0053   21.272   1.9601 1.255445 2.804112 
1 1 1   17   11   46 o   12.404   2.3697   21.938   7.6074   14.642   9.7876   33.071   12.090   10.175   3.2068   15.067   3.0913 -4.891997 4.454189 
1 1 1   17   11   47 o   37.161   1.0448  186.699   10.429  188.553   13.916  184.325   15.751   37.250   1.3909   36.762   1.5952 0.4878845 2.116420 
1 1 1   17   11   48 o   27.256   2.5696  105.224   18.590  114.743   22.461   84.520   33.124   28.208   3.0110   22.393   5.5382 5.815189 6.303802 
1 1 1   17   11   49 o   26.552   2.3303   99.523   16.451  105.238   21.318   91.110   25.864   26.891   3.0029   24.211   4.1252 2.679811 5.102420 
1 1 1   17   11   50 o   30.813   1.7801  131.682   14.670  122.934   20.854  140.251   20.640   29.184   2.6906   31.352   2.4711 -2.167768 3.653181 
1 1 1   17   11   51 f   23.945   2.2601   81.787   14.364   92.016   20.843   72.535   19.822   24.709   3.2169   21.674   3.5263 3.034674 4.773162 
1 1 1   17   11   52 o   13.613   3.4873   29.548   12.808   33.134   19.385   26.770   17.062   13.840   4.5272   12.680   4.2511 1.159332 6.210255 
1 1 1   17   12  -50 f   13.766   5.1271   32.290   25.376   0.0000   0.0000   32.290   25.376  ?   ?    13.766   5.1271 0.000000 5.127051 
1 1 1   17   12  -49 o   10.394   4.0894   13.097   16.745   0.0000   0.0000   13.097   16.745  ?   ?    10.394   4.0894 0.000000 4.089359 
1 1 1   17   12  -48 o   22.563   2.7825   73.680   16.505   41.410   39.509   80.503   18.166   15.740   6.2533   23.499   2.9427 -7.759148 6.911097 
1 1 1   17   12  -47 o   26.202   1.9944   95.392   13.931   93.812   19.958   96.893   19.453   25.478   2.9723   25.979   2.8338 -0.5008736 4.106756 
1 1 1   17   12  -46 o   24.452   1.9458   82.705   12.673   79.359   18.411   85.719   17.471   23.497   2.9845   24.579   2.6905 -1.081486 4.018200 
1 1 1   17   12  -45 o   21.592   2.1006   64.708   12.028   60.088   17.454   68.888   16.600   20.326   3.3110   21.985   2.8804 -1.659336 4.388573 
1 1 1   17   12  -44 o   9.9670   3.5319   12.786   11.837   12.486   15.307   13.232   18.669   10.457   3.9635   11.128   4.3355 -0.6708555 5.874124 
1 1 1   17   12  -43 o   10.549   3.1007   15.935   9.3682   25.377   11.715  -0.8145   15.603   13.165   3.3150   8.4664   3.6807 4.698921 4.953451 
1 1 1   17   12  -42 o   29.732   1.3059  119.610   10.429  115.147   14.581  124.284   14.921   28.996   1.8824   30.138   1.8523 -1.141968 2.640890 
1 1 1   17   12  -41 o   11.864   2.9524   20.362   9.3705   41.057   15.982   9.5213   11.567   16.714   3.6614   9.2317   3.4570 7.481996 5.035544 
1 1 1   17   12  -40 o   27.685   1.8363  104.860   13.577  101.100   40.901  105.326   14.393   25.057   6.1281   27.715   1.9458 -2.658298 6.429625 
1 1 1   17   12  -39 o   6.9994   2.8170   3.3891   8.1249   2.2894   10.870   4.7817   12.231   7.6338   3.1850   8.4575   3.4377 -0.8236790 4.686372 
1 1 1   17   12  -38 o   34.377   1.1859  159.615   10.950  158.283   15.104  161.090   15.898   34.143   1.6470   34.428   1.7193 -0.2846451 2.380868 
1 1 1   17   12  -37 o   25.871   1.5702   91.064   10.859   83.130   13.213  107.576   19.060   24.609   2.0167   27.838   2.5785 -3.228830 3.273527 
1 1 1   17   12  -36 o   17.908   1.7921   43.985   8.5040   58.975   11.697   27.175   12.386   20.681   2.1364   13.683   3.3881 6.998242 4.005439 
1 1 1   17   12  -35 o   42.110   1.0705  239.049   12.108  219.157   16.681  261.204   17.603   40.237   1.5435   43.939   1.4916 -3.702103 2.146423 
1 1 1   17   12  -34 o   20.944   1.5521   59.669   8.6692   45.017   11.565   78.460   13.097   17.983   2.4588   23.929   2.0579 -5.945475 3.206345 
1 1 1   17   12  -33 o   56.827   1.0120  434.983   15.446  437.101   21.645  432.786   22.048   56.884   1.4167   56.594   1.4504 0.2894363 2.027539 
1 1 1   17   12  -32 o   61.835   1.1828  515.482   19.644  506.929   23.676  534.376   35.191   61.264   1.4389   62.702   2.0896 -1.438908 2.537047 
1 1 1   17   12  -31 o   17.595   1.9389   42.479   9.0107   52.286   11.806   28.792   13.946   19.466   2.3026   14.134   3.6487 5.332510 4.314495 
1 1 1   17   12  -30 o   30.194   1.3941  123.037   11.306  124.235   19.903  122.466   13.737   30.084   2.4854   30.040   1.7097 0.4410744E-01 3.016662 
1 1 1   17   12  -29 o   32.220   0.8472  139.661   7.3319  131.849   10.654  146.689   10.105   31.272   1.2684   32.998   1.1402 -1.725300 1.705554 
1 1 1   17   12  -28 o   47.192   0.8297  299.567   10.516  307.740   14.848  291.341   14.896   47.796   1.1566   46.500   1.1927 1.295448 1.661420 
1 1 1   17   12  -27 o   37.114   0.9991  185.387   9.9592  179.781   16.308  188.721   12.577   36.478   1.6645   37.423   1.2512 -0.9450493 2.082336 
1 1 1   17   12  -26 o   33.190   1.0637  148.283   9.4826  142.642   13.208  154.285   13.623   32.514   1.5124   33.817   1.4998 -1.302258 2.129982 
1 1 1   17   12  -25 o   55.770   0.8309  418.250   12.446  428.695   17.769  408.188   17.439   56.425   1.1725   55.058   1.1792 1.366943 1.662912 
1 1 1   17   12  -24 o   39.591   0.8122  210.748   8.6364  219.945   12.739  202.926   11.748   40.420   1.1734   38.828   1.1265 1.591579 1.626631 
1 1 1   17   12  -23 o   46.302   0.8142  288.227   10.125  277.212   16.233  295.241   12.954   45.368   1.3322   46.847   1.0295 -1.479408 1.683630 
1 1 1   17   12  -22 o   5.6713   1.9791   3.8593   3.7067   8.9728   4.3556  -9.5689   7.0583   7.9959   2.0257   4.4271   2.1148 3.568751 2.928484 
1 1 1   17   12  -21 o   35.937   0.8000  173.593   7.7216  185.568   10.096  156.716   11.986   37.146   1.0119   34.120   1.3078 3.025990 1.653613 
1 1 1   17   12  -20 o   32.023   0.8825  137.856   7.5905  135.448   10.350  140.659   11.165   31.728   1.2145   32.328   1.2859 -0.6007748 1.768782 
1 1 1   17   12  -19 f   49.420   0.7642  328.234   10.143  326.994   13.425  329.882   15.483   49.314   1.0136   49.521   1.1641 -0.2073364 1.543522 
1 1 1   17   12  -18 o   60.939   0.8719  499.152   14.271  525.576   21.504  478.355   19.077   62.499   1.2810   59.633   1.1911 2.866096 1.749191 
1 1 1   17   12  -17 o  119.894   1.0982  1933.01   35.364  1939.38   52.392  1927.67   47.930  119.997   1.6256  119.661   1.4913 0.3353577 2.205975 
1 1 1   17   12  -16 o   66.577   0.7993  595.658   14.293  605.341   21.444  587.918   19.173   67.088   1.1901   66.124   1.0795 0.9637604 1.606758 
1 1 1   17   12  -15 o   52.852   0.7669  375.354   10.886  392.676   16.461  361.889   14.513   54.039   1.1341   51.882   1.0415 2.156349 1.539744 
1 1 1   17   12  -14 o   82.571   0.8718  916.301   19.334  885.696   28.287  943.132   26.486   81.144   1.2979   83.746   1.1775 -2.601852 1.752422 
1 1 1   17   12  -13 o   28.737   0.8537  110.981   6.5891  106.720   8.6182  116.978   10.223   28.173   1.1389   29.490   1.2906 -1.317728 1.721300 
1 1 1   17   12  -12 o  102.292   1.0846  1406.74   29.798  1407.21   40.110  1406.16   44.515  102.264   1.4603  102.202   1.6216 0.6163025E-01 2.182215 
1 1 1   17   12  -11 o   71.815   0.9038  693.132   17.434  677.044   23.174  714.107   26.461   70.956   1.2160   72.861   1.3521 -1.904892 1.818476 
1 1 1   17   12  -10 o   59.353   0.8030  473.364   12.800  468.891   16.508  480.107   20.271   59.061   1.0407   59.750   1.2631 -0.6888657 1.636604 
1 1 1   17   12   -9 f   87.560   0.9364  1030.38   22.021  1016.95   28.253  1051.16   35.150   86.966   1.2095   88.389   1.4806 -1.423325 1.911845 
1 1 1   17   12   -8 o  166.187   1.4954  3715.86   66.748  3662.51   85.407  3799.58  106.989  164.888   1.9285  167.813   2.3737 -2.924393 3.058321 
1 1 1   17   12   -7 o   48.957   0.7217  322.015   9.4905  322.671   13.408  321.358   13.435   48.997   1.0189   48.897   1.0230 0.9994888E-01 1.443795 
1 1 1   17   12   -6 o   44.479   0.7210  265.802   8.6131  272.971   12.358  259.031   12.011   45.066   1.0210   43.900   1.0186 1.165653 1.442205 
1 1 1   17   12   -5 o   59.395   0.7319  473.960   11.675  470.187   16.514  477.731   16.509   59.146   1.0396   59.618   1.0310 -0.4729919 1.464093 
1 1 1   17   12   -4 o  110.715   0.9901  1647.42   29.444  1642.37   41.636  1652.48   41.643  110.504   1.4028  110.844   1.3988 -0.3401260 1.981018 
1 1 1   17   12   -3 o   60.742   0.7350  495.706   11.991  514.031   17.274  478.664   16.658   61.842   1.0399   59.677   1.0393 2.165310 1.470215 
1 1 1   17   12   -2 o   68.247   0.7963  625.801   14.597  636.033   20.088  614.354   21.248   68.789   1.0873   67.601   1.1702 1.187256 1.597365 
1 1 1   17   12   -1 o   75.076   0.9161  757.429   18.472  759.737   24.987  754.647   27.431   75.171   1.2376   74.910   1.3633 0.2613754 1.841272 
1 1 1   17   12    0 o   74.871   0.8690  753.248   17.476  765.676   28.254  745.547   22.241   75.453   1.3942   74.474   1.1119 0.9788055 1.783242 
1 1 1   17   12    1 o   94.104   0.9310  1190.04   23.531  1198.18   35.179  1183.45   31.654   94.388   1.3876   93.818   1.2562 0.5698547 1.871760 
1 1 1   17   12    2 o   27.974   0.8763  105.150   6.5837  120.578   10.456   95.014   8.4747   29.945   1.3000   26.585   1.1869 3.360493 1.760280 
1 1 1   17   12    3 o   58.211   0.7333  455.249   11.465  460.431   16.465  450.372   15.972   58.529   1.0474   57.887   1.0273 0.6419678 1.467100 
1 1 1   17   12    4 o   52.078   0.7543  364.390   10.552  372.504   15.949  358.074   14.071   52.641   1.1280   51.616   1.0150 1.024887 1.517441 
1 1 1   17   12    5 o   45.826   0.7638  282.158   9.4011  273.594   14.103  289.007   12.612   45.112   1.1640   46.371   1.0126 -1.259251 1.542765 
1 1 1   17   12    6 o  137.682   1.1676  2548.52   43.179  2548.25   61.093  2548.79   61.036  137.600   1.6530  137.615   1.6513 -0.1469421E-01 2.336531 
1 1 1   17   12    7 o   31.394   0.7948  132.423   6.7020  126.790   9.4946  138.017   9.4617   30.710   1.1511   32.042   1.0994 -1.332293 1.591745 
1 1 1   17   12    8 o   21.036   1.0464   59.483   5.9124   54.725   7.8821   65.605   8.9402   20.115   1.4691   22.029   1.5203 -1.913956 2.114106 
1 1 1   17   12    9 f   43.628   0.7671  255.750   8.9885  260.481   12.067  249.852   13.472   44.021   1.0206   43.108   1.1636 0.9131584 1.547706 
1 1 1   17   12   10 o   27.627   0.9320  102.581   6.9156  104.296   9.2059  100.360   10.477   27.849   1.2307   27.275   1.4352 0.5746784 1.890658 
1 1 1   17   12   11 o   46.466   0.8015  290.128   10.003  294.589   12.810  283.158   16.014   46.814   1.0188   45.883   1.2994 0.9305725 1.651213 
1 1 1   17   12   12 o   52.454   0.8042  369.730   11.330  374.205   14.592  362.936   17.978   52.761   1.0297   51.946   1.2886 0.8148155 1.649433 
1 1 1   17   12   13 o   52.716   0.8104  373.430   11.475  362.508   14.566  391.296   18.630   51.928   1.0443   53.936   1.2860 -2.008202 1.656627 
1 1 1   17   12   14 o   85.304   1.0361  978.274   23.740  977.186   27.429  981.526   47.397   85.242   1.1980   85.313   2.0685 -0.7096100E-01 2.390341 
1 1 1   17   12   15 o   23.835   1.0792   76.382   6.9090   80.174   8.2808   67.696   12.533   24.381   1.2689   22.302   2.1177 2.078661 2.468772 
1 1 1   17   12   16 o   75.602   0.8481  768.180   17.221  801.960   23.559  729.425   25.234   77.224   1.1359   73.636   1.2759 3.588165 1.708224 
1 1 1   17   12   17 o   33.341   0.8226  149.394   7.3661  149.466   10.282  149.318   10.557   33.337   1.1484   33.319   1.1797 0.1780701E-01 1.646347 
1 1 1   17   12   18 o   29.013   0.8716  113.146   6.7925  112.821   9.2376  113.529   10.022   28.961   1.1876   29.047   1.2846 -0.8681297E-01 1.749439 
1 1 1   17   12   19 f   33.035   0.9268  146.717   8.2236  136.827   11.667  156.482   11.593   31.883   1.3624   34.102   1.2657 -2.218527 1.859607 
1 1 1   17   12   20 o   16.390   1.3369   36.397   5.8337   37.500   8.0366   35.169   8.4815   16.574   1.8362   16.016   2.0163 0.5578194 2.727129 
1 1 1   17   12   21 o   19.083   1.1424   49.170   5.8287   49.155   7.7735   49.188   8.8095   19.039   1.5331   19.019   1.7440 0.2053833E-01 2.322021 
1 1 1   17   12   22 o   84.346   0.8578  956.474   19.434  950.737   27.248  962.416   27.727   84.047   1.2070   84.560   1.2208 -0.5125122 1.716763 
1 1 1   17   12   23 o   26.434   0.9591   93.984   6.8097   84.305   8.6988  109.305   10.944   24.987   1.3006   28.445   1.4371 -3.458355 1.938276 
1 1 1   17   12   24 o   62.770   0.8673  529.841   14.621  539.144   23.388  523.873   18.734   63.255   1.3766   62.388   1.1180 0.8666687 1.773388 
1 1 1   17   12   25 o   51.970   0.8781  363.258   12.257  353.735   18.822  370.270   16.150   51.231   1.3678   52.442   1.1466 -1.211552 1.784837 
1 1 1   17   12   26 o   48.819   0.7901  320.480   10.360  323.139   15.373  318.268   14.023   48.984   1.1685   48.624   1.0737 0.3600273 1.586910 
1 1 1   17   12   27 o   35.851   0.9140  172.926   8.8016  182.426   11.803  161.026   13.210   36.799   1.1942   34.551   1.4235 2.248337 1.858064 
1 1 1   17   12   28 o   24.605   1.0197   81.499   6.7389   83.633   9.4054   79.248   9.6600   24.858   1.4146   24.184   1.4945 0.6737995 2.057783 
1 1 1   17   12   29 o   37.609   0.8747  190.306   8.8360  202.519   12.713  178.893   12.290   38.763   1.2211   36.428   1.2561 2.334995 1.751775 
1 1 1   17   12   30 o   47.360   0.9396  301.898   11.952  332.754   17.805  276.586   16.126   49.666   1.3347   45.282   1.3259 4.383976 1.881328 
1 1 1   17   12   31 o   90.383   1.0215  1100.09   24.799  1095.47   36.342  1104.11   33.925   90.050   1.5026   90.441   1.3966 -0.3909683 2.051381 
1 1 1   17   12   32 o   21.636   1.1275   63.256   6.5295   57.591   8.3336   72.262   10.508   20.588   1.5177   23.042   1.7102 -2.453690 2.286522 
1 1 1   17   12   33 o   27.988   0.9525  105.478   7.1601  111.641   9.3812   96.878   11.082   28.770   1.2140   26.721   1.5508 2.049791 1.969427 
1 1 1   17   12   34 o   20.932   1.1628   59.272   6.5118   58.326   8.4120   60.687   10.286   20.711   1.5229   21.070   1.8360 -0.3592873 2.385366 
1 1 1   17   12   35 o   13.504   1.7420   25.133   6.1708   25.257   7.4206   24.856   11.111   13.457   2.1235   13.131   3.1834 0.3257875 3.826666 
1 1 1   17   12   36 o   27.079   1.0170   98.840   7.3967   94.219   9.2419  107.075   12.337   26.406   1.3030   28.053   1.6445 -1.646610 2.098182 
1 1 1   17   12   37 o   12.323   2.0286   21.237   6.4809   20.291   7.9563   23.101   11.172   11.925   2.5605   12.624   3.2692 -0.6985226 4.152565 
1 1 1   17   12   38 o   23.696   1.0740   75.762   6.8354   81.093   8.7831   67.575   10.885   24.447   1.3427   22.206   1.8417 2.241709 2.279188 
1 1 1   17   12   39 o   32.140   0.8648  139.163   7.4652  142.343   9.3353  133.522   12.433   32.478   1.0702   31.388   1.4747 1.090010 1.822102 
1 1 1   17   12   40 o   42.088   0.8565  238.637   9.6821  246.529   12.136  224.816   16.059   42.743   1.0571   40.727   1.4681 2.016094 1.809083 
1 1 1   17   12   41 o   29.544   0.9498  117.682   7.5368  112.636   9.1611  128.250   13.258   28.873   1.1813   30.688   1.6141 -1.815247 2.000201 
1 1 1   17   12   42 o   23.850   1.0694   76.779   6.8503   79.603   8.4751   71.456   11.635   24.220   1.3076   22.805   1.9173 1.415230 2.320736 
1 1 1   17   12   43 o   34.148   1.0093  157.341   9.2570  152.791   12.692  162.513   13.531   33.576   1.4074   34.616   1.4553 -1.040791 2.024528 
1 1 1   17   12   44 o   21.290   1.3184   61.634   7.5022   64.551   9.3229   56.274   12.637   21.726   1.6091   20.054   2.3935 1.671820 2.884061 
1 1 1   17   12   45 o   11.054   2.6687   17.708   7.8333   10.702   9.3515   34.185   14.341   9.0488   3.1443   15.145   3.5818 -6.095778 4.766106 
1 1 1   17   12   46 o   50.048   1.3720  340.419   18.444  354.187   25.655  325.693   26.533   50.787   1.8808   48.611   2.0322 2.175217 2.768928 
1 1 1   17   12   47 o   34.564   2.0447  165.884   18.898  157.631   24.087  179.100   30.479   33.276   2.7188   35.047   3.2759 -1.771065 4.257109 
1 1 1   17   12   48 o   16.587   3.1930   41.154   13.709   39.415   19.934   42.714   18.883   15.566   4.5083   16.327   4.2607 -0.7605562 6.203095 
1 1 1   17   12   49 o   11.233   3.9816   18.623   15.045   40.710   29.106   10.570   17.574   15.240   5.5218   10.115   4.1171 5.125073 6.887749 
1 1 1   17   12   50 f   28.589   1.9823  114.966   15.128  111.027   22.098  118.440   20.753   27.259   3.0718   28.441   2.7512 -1.181896 4.123698 
1 1 1   17   12   51 o   23.676   2.0952   79.900   13.186   71.239   18.347   89.153   18.964   21.487   3.2833   24.352   2.9602 -2.864658 4.420779 
1 1 1   17   13  -49 o   13.511   5.1027   31.040   25.315   0.0000   0.0000   31.040   25.315  ?   ?    13.511   5.1027 0.000000 5.102715 
1 1 1   17   13  -48 o   23.864   3.0943   84.760   19.366   0.0000   0.0000   84.760   19.366  ?   ?    23.864   3.0943 0.000000 3.094338 
1 1 1   17   13  -47 o   28.493   2.3893  115.171   18.116   48.950   40.435  131.803   20.264   16.440   6.3873   30.415   2.5028 -13.97507 6.860144 
1 1 1   17   13  -46 o   10.527   3.5785   15.772   12.092   21.706   18.018   10.909   16.311   12.222   4.3546   10.133   4.0204 2.088870 5.926731 
1 1 1   17   13  -45 o   25.170   1.8841   87.549   12.645   93.433   18.300   82.173   17.492   25.640   2.6978   23.997   2.7644 1.642565 3.862677 
1 1 1   17   13  -44 o   13.802   3.0758   27.949   11.111   30.694   15.630   25.144   15.799   14.239   3.9488   12.999   4.0706 1.240435 5.671270 
1 1 1   17   13  -43 o   11.996   3.3557   21.101   11.236   24.857   15.516   16.961   16.292   12.986   4.0288   11.415   4.1319 1.571595 5.770910 
1 1 1   17   13  -42 o   7.6735   3.0214   5.1306   9.1467   7.5472   11.496   0.9615   15.100   8.7746   3.4067   8.5623   3.6707 0.2122993 5.007921 
1 1 1   17   13  -41 o   43.782   1.1198  258.923   13.168  276.334   18.701  241.800   18.545   45.113   1.5433   42.172   1.6373 2.941792 2.249998 
1 1 1   17   13  -40 o   32.283   1.3870  141.178   12.027  141.356   20.218  141.081   14.962   31.959   2.3722   32.148   1.7393 -0.1892052 2.941553 
1 1 1   17   13  -39 o   32.887   1.3916  146.512   12.293  137.344   21.601  150.902   14.949   31.417   2.5828   33.271   1.6783 -1.854027 3.080186 
1 1 1   17   13  -38 o   23.563   1.9745   76.345   12.381   70.796   28.659   77.619   13.728   21.413   5.0628   23.700   2.1810 -2.287493 5.512586 
1 1 1   17   13  -37 o   26.453   1.3811   94.992   9.7788  109.093   13.800   80.770   13.859   28.244   1.8289   24.195   2.1552 4.048485 2.826601 
1 1 1   17   13  -36 f   24.123   1.5313   79.208   9.8706   90.109   13.389   66.230   14.609   25.631   1.9596   21.785   2.5447 3.846310 3.211825 
1 1 1   17   13  -35 o   48.719   1.0459  320.096   13.685  328.670   19.232  311.300   19.479   49.271   1.4532   47.935   1.5129 1.335876 2.097838 
1 1 1   17   13  -34 o   27.745   1.3062  104.008   9.7335  106.575   13.479  101.211   14.070   27.952   1.8050   27.204   1.9383 0.7477131 2.648647 
1 1 1   17   13  -33 o   39.031   1.1078  205.429   11.613  208.395   16.002  202.128   16.880   39.242   1.5183   38.625   1.6271 0.6164284 2.225454 
1 1 1   17   13  -32 o   66.160   1.0345  589.800   18.383  585.072   25.830  594.654   26.168   65.785   1.4619   66.319   1.4691 -0.5343094 2.072505 
1 1 1   17   13  -31 o   18.267   1.1229   45.149   5.4829   45.048   7.8300   45.246   7.6802   18.174   1.6211   18.220   1.5852 -0.4621696E-01 2.267317 
1 1 1   17   13  -30 o   18.561   1.2998   46.712   6.4389   49.806   8.1147   41.451   10.580   19.125   1.5943   17.287   2.3387 1.838196 2.830421 
1 1 1   17   13  -29 o   34.753   1.0456  162.680   9.7601  170.307   14.248  155.936   13.397   35.505   1.4941   33.977   1.4681 1.527515 2.094609 
1 1 1   17   13  -28 o   23.717   1.0925   75.775   6.9594   69.315   8.9901   85.434   10.993   22.606   1.4890   25.082   1.6409 -2.476820 2.215761 
1 1 1   17   13  -27 o   25.522   1.0667   87.726   7.3120   90.384   9.4350   83.727   11.570   25.847   1.3639   24.815   1.7471 1.032528 2.216404 
1 1 1   17   13  -26 o   25.510   1.1985   87.696   8.2117  104.154   11.596   71.141   11.630   27.725   1.5636   22.839   1.9136 4.886322 2.471170 
1 1 1   17   13  -25 o   29.574   0.9638  117.705   7.6559  109.247   10.942  125.816   10.716   28.419   1.4382   30.549   1.3059 -2.129980 1.942615 
1 1 1   17   13  -24 o   9.5698   1.6918   12.736   4.1895   10.883   4.7627   19.074   8.8088   8.7888   2.0544   11.592   2.8494 -2.803012 3.512785 
1 1 1   17   13  -23 o   62.194   0.8354  520.193   13.956  502.194   19.239  540.183   20.275   61.067   1.1729   63.332   1.1919 -2.264801 1.672262 
1 1 1   17   13  -22 o   39.702   0.7489  211.902   7.9861  230.572   11.195  192.557   11.396   41.396   1.0069   37.822   1.1218 3.574780 1.507372 
1 1 1   17   13  -21 o   88.197   0.8715  1046.03   20.644  1078.63   29.568  1015.03   28.835   89.503   1.2300   86.823   1.2365 2.680145 1.744086 
1 1 1   17   13  -20 o   72.451   0.8334  705.728   16.218  695.271   21.697  718.967   24.413   71.880   1.1238   73.078   1.2438 -1.197968 1.676314 
1 1 1   17   13  -19 o   10.639   1.7797   15.682   4.9061   13.981   5.9901   19.148   8.5511   9.9678   2.2861   11.644   2.7738 -1.676128 3.594435 
1 1 1   17   13  -18 o   27.376   0.9701  100.780   7.1332   93.652   9.9822  108.219   10.197   26.333   1.4166   28.351   1.3391 -2.018770 1.949307 
1 1 1   17   13  -17 o   22.767   1.0737   69.719   6.5660   73.250   10.449   67.415   8.4407   23.251   1.6846   22.331   1.4146 0.9196720 2.199737 
1 1 1   17   13  -16 o   61.387   0.8688  506.563   14.325  507.731   24.716  505.972   17.579   61.401   1.4987   61.337   1.0671 0.6381226E-01 1.839753 
1 1 1   17   13  -15 o   64.905   0.7594  566.136   13.239  568.666   18.630  563.556   18.816   65.028   1.0667   64.734   1.0822 0.2941132 1.519487 
1 1 1   17   13  -14 o   62.080   0.7899  517.944   13.171  534.920   19.717  504.266   17.699   63.063   1.1641   61.236   1.0761 1.826614 1.585242 
1 1 1   17   13  -13 o   50.858   0.7676  347.584   10.486  358.751   15.689  338.568   14.097   51.648   1.1310   50.180   1.0459 1.468746 1.540464 
1 1 1   17   13  -12 o   32.159   0.7836  138.981   6.7686  137.006   9.3757  141.131   9.7817   31.920   1.0936   32.396   1.1242 -0.4758129 1.568348 
1 1 1   17   13  -11 f   14.329   1.4060   27.896   5.3417   36.955   6.7659   12.906   8.7036   16.496   1.5450   9.7685   3.0152 6.727650 3.387966 
1 1 1   17   13  -10 o   87.213   0.8896  1022.30   20.838  1023.77   28.272  1020.54   30.834   87.247   1.2065   87.097   1.3181 0.1500626 1.786851 
1 1 1   17   13   -9 o   82.463   0.8318  913.867   18.424  929.459   26.193  898.599   25.919   83.136   1.1730   81.743   1.1805 1.392517 1.664221 
1 1 1   17   13   -8 o   55.780   0.7668  418.089   11.489  423.571   17.322  413.784   15.351   56.125   1.1491   55.479   1.0302 0.6451645 1.543239 
1 1 1   17   13   -7 o   77.351   0.8039  804.008   16.701  807.522   23.701  800.542   23.538   77.496   1.1387   77.160   1.1357 0.3353806 1.608249 
1 1 1   17   13   -6 o   84.816   0.8424  966.745   19.190  986.494   27.377  947.668   26.907   85.650   1.1901   83.947   1.1934 1.702721 1.685343 
1 1 1   17   13   -5 o   76.521   0.8037  786.840   16.518  763.067   23.071  811.842   23.660   75.333   1.1402   77.704   1.1337 -2.370918 1.607893 
1 1 1   17   13   -4 o   32.615   0.8764  142.958   7.6771  144.592   9.6470  140.135   12.678   32.795   1.0952   32.271   1.4626 0.5234375 1.827238 
1 1 1   17   13   -3 o   15.378   1.5682   32.160   6.3869   35.381   7.4494   23.222   12.409   16.115   1.7492   12.869   3.4982 3.246064 3.911185 
1 1 1   17   13   -2 o   80.862   0.9004  878.764   19.555  872.023   25.182  889.002   31.035   80.532   1.1642   81.287   1.4215 -0.7557220 1.837397 
1 1 1   17   13   -1 o   30.907   0.8686  128.373   7.2106  130.519   9.3862  125.282   11.263   31.157   1.1216   30.517   1.3741 0.6401520 1.773746 
1 1 1   17   13    0 o   86.524   0.9846  1006.27   22.883  997.447   30.625  1017.43   34.431   86.113   1.3241   86.955   1.4742 -0.8419495 1.981531 
1 1 1   17   13    1 o   55.325   0.8549  411.329   12.704  403.069   17.194  421.260   18.853   54.751   1.1692   55.967   1.2542 -1.216618 1.714663 
1 1 1   17   13    2 o   19.901   1.2462   53.473   6.6279   59.704   9.6330   47.871   9.1336   20.986   1.7242   18.763   1.8359 2.223768 2.518646 
1 1 1   17   13    3 o   64.815   1.0017  564.694   17.438  573.287   27.290  558.765   22.670   65.264   1.5568   64.453   1.3095 0.8110657 2.034331 
1 1 1   17   13    4 o  121.986   1.2306  2001.19   40.321  1955.54   53.436  2061.54   61.446  120.519   1.6508  123.703   1.8494 -3.183975 2.478931 
1 1 1   17   13    5 o  125.846   1.1951  2129.70   40.396  2146.13   52.361  2105.56   63.491  126.274   1.5438  125.006   1.8910 1.268433 2.441150 
1 1 1   17   13    6 o   73.330   0.8692  722.653   17.120  730.500   22.195  711.125   26.901   73.709   1.1211   72.703   1.3776 1.006012 1.776110 
1 1 1   17   13    7 o   46.417   0.7669  289.504   9.5615  285.478   12.839  294.518   14.327   46.082   1.0373   46.801   1.1398 -0.7189369 1.541127 
1 1 1   17   13    8 o   40.292   0.8381  218.172   9.0701  217.874   11.497  218.665   14.760   40.256   1.0633   40.315   1.3631 -0.5878448E-01 1.728786 
1 1 1   17   13    9 o  115.763   1.0742  1801.77   33.400  1759.98   44.536  1855.48   50.492  114.359   1.4499  117.394   1.6013 -3.035034 2.160229 
1 1 1   17   13   10 o  100.166   1.0214  1348.86   27.480  1332.03   35.142  1375.34   44.087   99.505   1.3149  101.063   1.6241 -1.557953 2.089693 
1 1 1   17   13   11 f   72.413   0.8254  704.701   16.054  716.346   21.780  690.847   23.756   72.988   1.1110   71.666   1.2342 1.321609 1.660555 
1 1 1   17   13   12 o   21.851   1.0283   64.196   6.0353   60.283   7.9156   69.630   9.3274   21.118   1.4035   22.690   1.5396 -1.571373 2.083352 
1 1 1   17   13   13 o   92.607   0.9729  1152.95   24.198  1175.77   31.582  1120.50   37.657   93.486   1.2578   91.223   1.5369 2.263008 1.985965 
1 1 1   17   13   14 o   74.599   0.8031  747.920   16.092  740.228   22.506  755.964   23.016   74.188   1.1295   74.971   1.1430 -0.7830811 1.606918 
1 1 1   17   13   15 o   47.231   0.7446  299.782   9.4462  301.331   13.161  298.137   13.566   47.338   1.0351   47.084   1.0727 0.2537651 1.490697 
1 1 1   17   13   16 o   46.854   0.7456  295.028   9.3828  294.971   13.048  295.090   13.502   46.834   1.0373   46.842   1.0732 -0.7213593E-02 1.492529 
1 1 1   17   13   17 o   25.855   0.9160   89.877   6.3613  102.491   8.7934   76.028   9.2137   27.600   1.1862   23.716   1.4535 3.884058 1.876061 
1 1 1   17   13   18 o   43.373   0.9131  252.938   10.637  263.340   16.094  244.870   14.174   44.225   1.3549   42.655   1.2372 1.569977 1.834780 
1 1 1   17   13   19 o   53.198   0.7603  380.388   10.864  392.025   15.262  368.435   15.468   53.984   1.0525   52.331   1.1005 1.653435 1.522805 
1 1 1   17   13   20 o   63.175   0.8126  536.556   13.788  540.586   18.678  531.731   20.439   63.384   1.0972   62.850   1.2108 0.5344467 1.633945 
1 1 1   17   13   21 o  109.656   1.1010  1618.21   32.427  1652.76   46.371  1585.14   45.364  110.704   1.5595  108.416   1.5579 2.288055 2.204312 
1 1 1   17   13   22 o   44.251   0.8262  263.309   9.8196  255.887   14.414  269.737   13.414   43.589   1.2311   44.765   1.1156 -1.175354 1.661437 
1 1 1   17   13   23 o   29.332   0.8994  115.729   7.0860  123.184   9.5110  106.427   10.623   30.245   1.1708   28.060   1.4141 2.185106 1.835883 
1 1 1   17   13   24 o   39.022   0.7939  204.770   8.3207  199.435   11.438  210.766   12.126   38.486   1.1065   39.561   1.1412 -1.074879 1.589584 
1 1 1   17   13   25 o   28.019   0.9084  105.626   6.8359  104.044   9.1358  107.639   10.304   27.787   1.2241   28.252   1.3579 -0.4649315 1.828202 
1 1 1   17   13   26 o   33.863   1.0194  154.381   9.2721  161.988   12.916  146.292   13.318   34.651   1.3878   32.916   1.5064 1.734921 2.048257 
1 1 1   17   13   27 o   6.6430   2.4839   4.5591   5.9674   5.6668   8.5099   3.4876   8.3701   7.7012   2.9465   7.1495   2.8656 0.5516505 4.110204 
1 1 1   17   13   28 o   28.219   0.9792  107.208   7.4220  114.403   10.882  100.951   10.149   29.114   1.3916   27.314   1.3879 1.799490 1.965421 
1 1 1   17   13   29 o   48.390   0.8163  315.028   10.610  320.152   15.884  310.901   14.257   48.729   1.2136   48.036   1.1050 0.6930275 1.641303 
1 1 1   17   13   30 o   37.915   1.0116  193.616   10.302  181.228   16.025  202.342   13.449   36.599   1.6302   38.725   1.2931 -2.126522 2.080795 
1 1 1   17   13   31 o   34.538   0.8938  160.580   8.2914  160.725   11.239  160.408   12.282   34.520   1.2122   34.471   1.3265 0.4875565E-01 1.796966 
1 1 1   17   13   32 o   18.569   1.6028   47.018   7.9158   57.634   9.8314   27.452   13.347   20.536   1.8006   13.770   3.5767 6.765694 4.004415 
1 1 1   17   13   33 o   12.019   2.2695   20.353   7.0581   13.454   8.7941   32.842   11.832   9.8434   3.0296   15.163   3.0115 -5.319575 4.271682 
1 1 1   17   13   34 o   29.610   1.0868  118.244   8.6434  112.538   11.320  126.224   13.386   28.800   1.4682   30.468   1.6418 -1.667595 2.202491 
1 1 1   17   13   35 o   7.5641   2.5665   7.3576   6.2196   7.5881   8.1920   7.0438   9.5565   8.0651   2.9283   8.2540   3.1309 -0.1888809 4.286908 
1 1 1   17   13   36 f   11.361   2.4954   18.433   7.4062   24.192   9.8361   10.893   11.254   12.960   2.8983   9.4908   3.4344 3.469563 4.493903 
1 1 1   17   13   37 o   22.557   1.1036   68.690   6.6862   69.422   8.4228   67.442   10.994   22.601   1.3943   22.171   1.8636 0.4296932 2.327458 
1 1 1   17   13   38 o   22.930   1.1412   71.014   7.0286   68.339   8.7569   75.856   11.784   22.406   1.4631   23.512   1.8817 -1.105791 2.383568 
1 1 1   17   13   39 o   43.872   0.9094  259.444   10.716  261.482   14.051  256.610   16.569   43.986   1.1893   43.517   1.4176 0.4693604 1.850418 
1 1 1   17   13   40 o   24.181   1.1152   78.970   7.2431   72.651   8.9935   90.634   12.219   23.104   1.4567   25.737   1.7786 -2.632650 2.298998 
1 1 1   17   13   41 o   33.970   0.9951  155.679   9.0794  161.226   12.422  149.316   13.304   34.506   1.3403   33.174   1.4931 1.331860 2.006443 
1 1 1   17   13   42 o   50.923   0.9192  349.691   12.573  338.370   18.352  359.704   17.259   49.968   1.3674   51.559   1.2463 -1.590652 1.850145 
1 1 1   17   13   43 o   53.502   0.9521  386.251   13.682  407.530   21.592  371.977   17.685   54.776   1.4676   52.411   1.2563 2.365002 1.931871 
1 1 1   17   13   44 o   16.877   2.0409   39.710   9.0635   34.282   11.380   49.125   14.988   15.398   2.8568   18.383   3.1488 -2.985503 4.251569 
1 1 1   17   13   45 o   11.273   3.5751   18.567   12.150   15.994   16.024   22.049   18.637   11.070   4.0838   12.444   4.4294 -1.374547 6.024689 
1 1 1   17   13   46 o   6.4902   2.9877  -7.3655   12.011   4.6732   17.071 -19.1653   16.901   9.3390   3.9496   6.8503   3.2724 2.488695 5.129078 
1 1 1   17   13   47 o   9.2028   3.5429   9.8638   12.353  -6.1528   17.954   24.261   17.022   8.1928   3.7263   12.541   4.2459 -4.348635 5.649142 
1 1 1   17   13   48 o   12.144   3.8665   23.128   14.202   19.770   22.412   25.381   18.358   11.968   4.7240   12.653   4.4050 -0.6852417 6.459120 
1 1 1   17   13   49 o   7.8245   3.4375   0.2109   13.925   18.110   25.643  -7.2742   16.583   11.838   4.9116   7.6183   3.5083 4.219793 6.035892 
1 1 1   17   13   50 o   8.0669   3.6474  -2.7649   16.894   0.0000   0.0000  -2.7649   16.894  ?   ?    8.0669   3.6474 0.000000 3.647358 
1 1 1   17   14  -48 o   15.886   5.3246   47.600   26.767   0.0000   0.0000   47.600   26.767  ?   ?    15.886   5.3246 0.000000 5.324618 
1 1 1   17   14  -47 o   16.958   3.9826   46.421   17.831   0.0000   0.0000   46.421   17.831  ?   ?    16.958   3.9826 0.000000 3.982647 
1 1 1   17   14  -46 o   10.107   3.9149   12.521   15.154   16.580   35.853   11.639   16.721   12.928   5.5998   10.182   4.0609 2.745735 6.917293 
1 1 1   17   14  -45 o   5.8273   2.7482 -10.8860   11.193  -6.1723   16.473 -14.9292   15.256   7.8687   3.5752   6.7145   3.1792 1.154158 4.784283 
1 1 1   17   14  -44 o   14.427   3.1770   30.957   11.978   44.639   18.373   20.843   15.797   16.956   4.0831   11.963   4.0901 4.993011 5.779314 
1 1 1   17   14  -43 o   8.8408   3.3382   8.8483   10.832   9.5355   15.382   8.1720   15.258   9.8556   3.9061   9.6042   3.8621 0.2513227 5.493066 
1 1 1   17   14  -42 o   14.187   3.0221   29.369   11.163   15.508   15.865   42.960   15.710   11.055   4.0659   17.024   3.5508 -5.968720 5.398065 
1 1 1   17   14  -41 o   38.770   1.2467  203.479   12.982  194.489   16.927  216.318   20.229   37.785   1.6679   39.768   1.8939 -1.982777 2.523621 
1 1 1   17   14  -40 o   21.223   1.9010   62.018   10.721   63.889   13.818   59.188   16.995   21.373   2.4513   20.272   3.2296 1.101097 4.054513 
1 1 1   17   14  -39 o   43.749   1.2231  258.854   14.372  271.036   23.097  251.156   18.360   44.535   1.9309   42.990   1.5900 1.544769 2.501308 
1 1 1   17   14  -38 o   20.831   1.8453   59.646   10.218   57.427   18.014   60.698   12.406   19.870   3.5034   20.903   2.2449 -1.033237 4.160952 
1 1 1   17   14  -37 o   8.3300   3.3775   4.8364   11.774   0.0000   0.0000   4.8364   11.774  ?   ?    8.3300   3.3775 0.000000 3.377534 
1 1 1   17   14  -36 o   19.141   1.7002   50.221   8.6501   60.667   12.213   39.708   12.253   20.918   2.2072   16.689   2.8349 4.228765 3.592797 
1 1 1   17   14  -35 o   6.4931   2.7454   0.8061   8.2451   9.8128   11.238  -9.6961   12.135   9.2303   3.4170   6.3727   2.9580 2.857606 4.519504 
1 1 1   17   14  -34 o   23.069   1.6411   72.613   10.102   63.858   12.711   87.624   16.644   21.477   2.2364   25.107   2.5014 -3.630020 3.355401 
1 1 1   17   14  -33 o   31.981   0.9596  137.842   8.2429  136.363   14.281  138.582   10.094   31.648   1.6861   32.038   1.1730 -0.3903370 2.054017 
1 1 1   17   14  -32 o   19.928   1.1124   53.734   5.9300   55.922   8.5800   51.734   8.2052   20.253   1.5900   19.477   1.5822 0.7764759 2.243100 
1 1 1   17   14  -31 f   4.7158   2.0937  -1.8311   5.2976   0.5695   6.7795  -5.5957   8.4896   5.9027   2.4922   5.5416   2.5365 0.3611789 3.555976 
1 1 1   17   14  -30 o   26.353   1.0914   93.624   7.7253  105.160   10.137   77.646   11.931   27.902   1.3527   23.840   1.8785 4.061838 2.314854 
1 1 1   17   14  -29 o   37.410   1.0433  188.565   10.483  187.905   15.253  189.156   14.433   37.275   1.5235   37.413   1.4362 -0.1384315 2.093776 
1 1 1   17   14  -28 o   22.476   1.4329   68.518   8.6054   65.739   11.095   72.715   13.634   21.930   1.9024   23.000   2.2352 -1.069347 2.935199 
1 1 1   17   14  -27 o   36.369   1.1082  178.235   10.825  194.293   26.414  174.994   11.868   37.589   2.6329   36.023   1.2266 1.566441 2.904570 
1 1 1   17   14  -26 o   62.311   0.8722  522.493   14.597  523.185   20.641  521.801   20.646   62.289   1.2337   62.206   1.2357 0.8286285E-01 1.746138 
1 1 1   17   14  -25 o   30.334   0.8583  123.807   6.9933  135.042   9.1180  107.756   10.898   31.663   1.0721   28.214   1.4430 3.449446 1.797702 
1 1 1   17   14  -24 o   11.743   1.5915   18.970   4.8906   18.160   5.7776   21.018   9.1858   11.419   1.9540   12.150   2.8619 -0.7312660 3.465394 
1 1 1   17   14  -23 o   45.767   0.7537  281.674   9.2649  289.182   12.952  273.807   13.259   46.345   1.0405   45.090   1.0948 1.255009 1.510364 
1 1 1   17   14  -22 o   72.506   0.9243  707.369   18.001  716.617   26.515  699.462   24.517   72.899   1.3542   72.039   1.2671 0.8594513 1.854555 
1 1 1   17   14  -21 o   29.291   0.8999  115.422   7.0796  117.794   10.056  113.091   9.9682   29.566   1.2664   28.969   1.2811 0.5974064 1.801389 
1 1 1   17   14  -20 o   30.540   0.8692  125.441   7.1295  115.284   10.253  134.949   9.9201   29.249   1.3051   31.657   1.1667 -2.407377 1.750589 
1 1 1   17   14  -19 o   43.075   0.7985  249.477   9.2379  250.514   13.717  248.615   12.497   43.134   1.1840   42.979   1.0826 0.1545982 1.604301 
1 1 1   17   14  -18 o   24.717   0.9072   82.166   6.0226   81.649   8.0999   82.805   9.0066   24.625   1.2247   24.754   1.3599 -0.1289864 1.830033 
1 1 1   17   14  -17 o   28.180   0.9406  106.800   7.1190  110.419   10.442  103.657   9.7310   28.631   1.3579   27.743   1.3059 0.8873272 1.883949 
1 1 1   17   14  -16 f   40.863   0.7950  224.461   8.7249  208.238   11.493  246.531   13.405   39.341   1.0876   42.800   1.1660 -3.458801 1.594545 
1 1 1   17   14  -15 o   41.653   0.8789  233.267   9.8331  240.865   16.720  229.250   12.158   42.283   1.4722   41.280   1.0966 1.002869 1.835710 
1 1 1   17   14  -14 o   76.312   0.8107  782.789   16.616  784.703   23.509  780.879   23.489   76.370   1.1461   76.183   1.1479 0.1865616 1.622098 
1 1 1   17   14  -13 o   43.915   0.7326  259.182   8.6409  258.144   11.999  260.300   12.454   43.812   1.0196   43.993   1.0540 -0.1804543 1.466481 
1 1 1   17   14  -12 f   32.051   0.7906  138.072   6.8063  132.042   9.3928  144.740   9.8767   31.331   1.1162   32.803   1.1210 -1.471607 1.581920 
1 1 1   17   14  -11 o   46.492   0.7287  290.470   9.0994  289.637   12.718  291.345   13.025   46.410   1.0202   46.546   1.0419 -0.1352959 1.458197 
1 1 1   17   14  -10 o   59.153   0.8084  470.290   12.843  464.489   16.580  478.992   20.308   58.771   1.0503   59.664   1.2673 -0.8923607 1.645970 
1 1 1   17   14   -9 o   21.714   1.0125   63.398   5.9050   68.037   8.0372   57.957   8.7046   22.445   1.3393   20.684   1.5788 1.760719 2.070325 
1 1 1   17   14   -8 o   14.765   1.3042   29.561   5.1190   33.831   7.2090   25.220   7.2702   15.750   1.7328   13.517   2.0682 2.233089 2.698157 
1 1 1   17   14   -7 o   72.687   0.7906  710.040   15.434  730.131   22.071  690.812   21.592   73.683   1.1152   71.671   1.1216 2.012001 1.581700 
1 1 1   17   14   -6 o   18.868   1.0958   48.036   5.5297   56.307   7.6699   39.083   7.9796   20.406   1.4080   16.937   1.7807 3.468363 2.270153 
1 1 1   17   14   -5 o   42.875   0.8080  247.051   9.3053  254.074   12.096  236.868   14.564   43.470   1.0360   41.959   1.2923 1.511440 1.656328 
1 1 1   17   14   -4 o   31.936   0.8420  137.074   7.2227  145.548   9.8640  127.280   10.605   32.899   1.1163   30.758   1.2837 2.140442 1.701180 
1 1 1   17   14   -3 o   45.121   0.7290  273.567   8.8351  267.915   12.587  279.056   12.405   44.639   1.0498   45.559   1.0137 -0.9204369 1.459355 
1 1 1   17   14   -2 o   34.167   0.7734  156.874   7.0978  155.866   10.247  157.804   9.8406   34.045   1.1206   34.258   1.0695 -0.2130814 1.549056 
1 1 1   17   14   -1 o   66.226   0.7631  589.373   13.574  590.999   19.384  587.808   19.015   66.296   1.0886   66.118   1.0708 0.1779022 1.526922 
1 1 1   17   14    0 o   47.613   0.8019  304.659   10.255  323.612   17.063  293.944   12.830   49.045   1.2953   46.759   1.0216 2.286510 1.649694 
1 1 1   17   14    1 o   75.449   0.9291  765.183   18.828  764.449   33.173  765.532   22.869   75.340   1.6394   75.450   1.1285 -0.1098633 1.990223 
1 1 1   17   14    2 o   55.575   0.8092  415.077   12.079  434.029   19.812  403.863   15.240   56.799   1.2986   54.807   1.0353 1.991425 1.660795 
1 1 1   17   14    3 o   55.406   0.7702  412.534   11.461  402.049   17.076  421.129   15.461   54.676   1.1628   55.967   1.0285 -1.291168 1.552423 
1 1 1   17   14    4 o  110.730   1.0401  1648.54   30.934  1625.71   45.628  1667.95   42.081  109.883   1.5460  111.326   1.4073 -1.442917 2.090629 
1 1 1   17   14    5 o   30.523   0.8097  125.203   6.6376  115.521   9.4225  134.740   9.3519   29.306   1.1971   31.654   1.1000 -2.347940 1.625689 
1 1 1   17   14    6 o   75.063   0.8021  757.228   16.171  744.259   22.777  770.411   22.963   74.391   1.1400   75.687   1.1296 -1.296684 1.604817 
1 1 1   17   14    7 o   49.459   0.7393  328.719   9.8206  344.346   14.230  314.508   13.570   50.606   1.0469   48.363   1.0447 2.242077 1.478983 
1 1 1   17   14    8 o   32.118   0.7954  138.635   6.8612  140.679   9.7008  136.588   9.7056   32.342   1.1167   31.868   1.1339 0.4745064 1.591480 
1 1 1   17   14    9 o   55.099   0.7753  407.993   11.474  400.820   15.339  417.105   17.288   54.596   1.0460   55.686   1.1558 -1.090115 1.558910 
1 1 1   17   14   10 o   74.006   0.8789  736.204   17.471  742.750   24.575  729.516   24.842   74.300   1.2314   73.633   1.2561 0.6675949 1.759032 
1 1 1   17   14   11 o   22.036   1.1240   65.483   6.6302   81.351   8.1391   34.181   11.432   24.558   1.2379   15.642   2.8248 8.915289 3.084178 
1 1 1   17   14   12 f   37.329   0.8457  187.307   8.4796  193.370   10.768  177.410   13.758   37.918   1.0573   36.299   1.4112 1.619003 1.763296 
1 1 1   17   14   13 o   40.718   0.8228  222.857   8.9987  212.095   12.294  235.277   13.207   39.705   1.1528   41.817   1.1759 -2.112103 1.646708 
1 1 1   17   14   14 o   84.968   0.8538  970.553   19.485  970.735   27.415  970.366   27.699   84.934   1.2018   84.916   1.2145 0.1797485E-01 1.708546 
1 1 1   17   14   15 o  102.655   0.9544  1417.10   26.315  1425.35   37.246  1408.88   37.184  102.884   1.3478  102.287   1.3535 0.5972519 1.910121 
1 1 1   17   14   16 f   46.989   0.8219  296.836   10.373  311.632   16.097  286.327   13.565   48.114   1.2456   46.131   1.0948 1.982174 1.658370 
1 1 1   17   14   17 o   34.369   0.8540  158.821   7.8836  162.845   11.554  155.316   10.784   34.778   1.2369   33.969   1.1820 0.8098602 1.710828 
1 1 1   17   14   18 o   45.314   0.7622  276.037   9.2767  276.261   12.951  275.802   13.295   45.310   1.0642   45.270   1.0934 0.4016876E-01 1.525747 
1 1 1   17   14   19 o   38.978   0.8978  204.337   9.3988  193.828   12.988  215.893   13.619   37.933   1.2747   40.035   1.2665 -2.101677 1.796938 
1 1 1   17   14   20 o   23.514   1.0501   74.417   6.6321   74.769   8.4959   73.869   10.611   23.514   1.3509   23.324   1.7056 0.1901455 2.175785 
1 1 1   17   14   21 o   57.060   0.8039  437.843   12.320  447.952   16.646  425.596   18.321   57.684   1.0744   56.207   1.2136 1.476753 1.620829 
1 1 1   17   14   22 o   36.452   0.8226  178.712   8.0541  180.393   11.038  176.798   11.778   36.599   1.1229   36.224   1.2106 0.3748817 1.651181 
1 1 1   17   14   23 o   24.350   1.0619   79.840   6.9453   98.442   9.7116   60.367   9.9365   27.017   1.3383   21.050   1.7740 5.966993 2.222188 
1 1 1   17   14   24 o   39.733   0.8708  212.411   9.2934  233.990   13.890  194.923   12.504   41.662   1.2413   38.027   1.2243 3.634636 1.743463 
1 1 1   17   14   25 o   29.998   0.9666  121.140   7.7883  119.928   9.8674  123.143   12.684   29.825   1.2318   30.145   1.5721 -0.3197327 1.997178 
1 1 1   17   14   26 o   16.658   1.4688   37.768   6.5044   37.097   9.2515   38.425   9.1467   16.383   2.1547   16.693   2.0855 -0.3099823 2.998725 
1 1 1   17   14   27 o   6.9252   2.4939   5.5331   5.9245   4.2462   7.9546   7.1362   8.8785   7.1838   2.8211   8.1502   3.0332 -0.9663200 4.142348 
1 1 1   17   14   28 o   61.785   0.9075  513.881   15.059  534.178   26.696  504.409   18.238   62.841   1.5817   61.177   1.1099 1.664402 1.932256 
1 1 1   17   14   29 o   29.228   1.0057  115.077   7.8949  110.010   10.514  121.628   11.954   28.540   1.3716   29.994   1.4839 -1.454737 2.020678 
1 1 1   17   14   30 o   33.409   0.9490  150.324   8.5152  150.203   11.457  150.473   12.728   33.356   1.2788   33.366   1.4202 -0.9742737E-02 1.911102 
1 1 1   17   14   31 f   18.345   1.3600   45.724   6.6536   45.970   8.7160   45.381   10.300   18.317   1.7947   18.118   2.1591 0.1989536 2.807629 
1 1 1   17   14   32 o   33.811   0.9238  154.001   8.3897  150.318   11.527  158.150   12.234   33.356   1.2866   34.207   1.3315 -0.8507805 1.851611 
1 1 1   17   14   33 o   9.0108   2.3776   11.541   5.8379   12.521   7.2475   9.7319   9.8517   9.4120   2.7161   8.9634   3.2172 0.4485989 4.210434 
1 1 1   17   14   34 o   23.874   1.1045   76.930   7.0828   73.749   8.7836   82.844   11.976   23.297   1.4104   24.603   1.8253 -1.306528 2.306672 
1 1 1   17   14   35 o   17.646   1.4392   42.466   6.7616   41.452   8.1958   44.627   11.965   17.362   1.7828   17.807   2.5766 -0.4450455 3.133229 
1 1 1   17   14   36 o   24.795   0.9660   82.910   6.4331   78.874   7.8764   90.998   11.150   24.124   1.2196   25.831   1.6152 -1.706970 2.023885 
1 1 1   17   14   37 o   57.171   0.8486  440.404   13.031  445.059   17.228  434.179   19.920   57.403   1.1174   56.636   1.3095 0.7663803 1.721439 
1 1 1   17   14   38 o   29.967   0.9928  121.159   7.9908  111.584   10.001  138.066   13.289   28.712   1.2968   31.884   1.5518 -3.172235 2.022305 
1 1 1   17   14   39 o   14.124   1.7951   27.611   6.6559   29.037   8.3772   25.170   10.961   14.376   2.2427   13.138   3.1476 1.238367 3.864864 
1 1 1   17   14   40 o   26.983   1.0333   98.291   7.4891   98.026   9.6540   98.690   11.868   26.900   1.3361   26.882   1.6517 0.1871872E-01 2.124494 
1 1 1   17   14   41 o   31.288   0.9416  132.066   7.9128  134.457   10.177  128.411   12.583   31.525   1.2019   30.738   1.5241 0.7860413 1.941003 
1 1 1   17   14   42 o   25.407   1.2224   87.416   8.3415   88.671   9.8242   84.175   15.790   25.509   1.4398   24.526   2.4290 0.9831123 2.823667 
1 1 1   17   14   43 o   18.336   2.2088   47.123   10.659   50.285   16.587   44.899   13.912   18.423   3.4796   17.567   3.0596 0.8557777 4.633475 
1 1 1   17   14   44 o   21.877   2.1286   66.905   12.349   65.165   16.985   68.856   17.987   21.151   3.0803   21.697   3.1809 -0.5464153 4.427938 
1 1 1   17   14   45 o   14.913   3.1959   33.356   12.416   34.603   17.494   32.090   17.625   14.763   4.2075   14.224   4.2709 0.5390863 5.995291 
1 1 1   17   14   46 o   22.075   2.3484   69.433   13.710   74.839   19.674   64.329   19.116   22.272   3.3963   20.482   3.6065 1.789831 4.953981 
1 1 1   17   14   47 o   8.3781   3.4046   6.3802   11.993 -15.5456   17.268   26.807   16.668   7.1044   3.3692   12.870   4.1974 -5.765367 5.382319 
1 1 1   17   14   48 o   9.7632   4.0802   9.1441   17.880   0.0000   0.0000   9.1441   17.880  ?   ?    9.7632   4.0802 0.000000 4.080204 
1 1 1   17   14   49 o   13.964   5.0190   36.280   23.984   0.0000   0.0000   36.280   23.984  ?   ?    13.964   5.0190 0.000000 5.018959 
1 1 1   17   15  -47 f   10.464   4.5877   7.8740   24.691   0.0000   0.0000   7.8740   24.691  ?   ?    10.464   4.5877 0.000000 4.587689 
1 1 1   17   15  -46 o   12.281   4.2380   24.244   16.975   0.0000   0.0000   24.244   16.975  ?   ?    12.281   4.2380 0.000000 4.238047 
1 1 1   17   15  -45 o   18.727   3.9022   55.515   18.991   0.0000   0.0000   55.515   18.991  ?   ?    18.727   3.9022 0.000000 3.902190 
1 1 1   17   15  -44 f   10.207   3.6443   14.433   12.626  -1.9319   18.618   28.367   17.179   8.7850   3.9114   13.387   4.2516 -4.602436 5.777081 
1 1 1   17   15  -43 o   25.281   2.1615   89.477   14.536   94.143   21.441   85.509   19.775   25.334   3.2241   24.197   3.1151 1.137041 4.483115 
1 1 1   17   15  -42 o   13.639   3.1436   27.578   11.280   14.176   15.757   41.665   16.154   10.696   4.0290   16.583   3.7187 -5.886948 5.482789 
1 1 1   17   15  -41 f   32.810   1.5874  146.756   13.989  155.840   19.672  137.463   19.897   33.516   2.1974   31.384   2.3782 2.132761 3.237925 
1 1 1   17   15  -40 f   17.568   2.1534   43.085   9.9483   37.510   13.108   50.659   15.278   16.036   3.1557   18.701   3.1538 -2.664886 4.461442 
1 1 1   17   15  -39 o   34.529   1.3766  161.684   12.767  178.229   16.787  138.989   19.661   36.152   1.7288   31.652   2.3290 4.499989 2.900571 
1 1 1   17   15  -38 o   30.517   1.2822  126.084   10.510  124.582   14.217  127.894   15.607   30.177   1.7617   30.527   1.9130 -0.3502007 2.600627 
1 1 1   17   15  -37 o   26.910   1.5090   98.628   10.863  131.983   18.460   80.960   13.436   30.899   2.2395   24.214   2.0863 6.685266 3.060711 
1 1 1   17   15  -36 o   21.404   2.0476   63.307   11.628   53.120   22.078   67.218   13.679   18.675   4.4624   21.964   2.3555 -3.288820 5.045921 
1 1 1   17   15  -35 o   10.712   3.3480   16.252   10.693   36.409   25.630   12.004   11.766   15.588   5.2104   9.7943   3.5159 5.793625 6.285645 
1 1 1   17   15  -34 o   27.817   1.0956  104.493   8.1855   90.173   13.985  111.956   10.096   25.587   2.0521   28.760   1.3069 -3.172556 2.432961 
1 1 1   17   15  -33 o   32.015   0.9810  138.233   8.4352  146.254   11.803  129.860   12.059   32.871   1.3369   30.952   1.4506 1.918522 1.972680 
1 1 1   17   15  -32 o   18.697   1.3833   47.580   6.8974   43.578   9.3304   52.402   10.242   17.761   1.9901   19.497   1.9834 -1.736034 2.809698 
1 1 1   17   15  -31 o   19.835   1.3055   53.415   6.9159   52.920   9.1046   54.091   10.633   19.659   1.7423   19.811   2.0269 -0.1519470 2.672844 
1 1 1   17   15  -30 o   28.074   1.0417  106.271   7.8549  109.592   10.690  102.374   11.581   28.464   1.3982   27.440   1.5780 1.024199 2.108323 
1 1 1   17   15  -29 o   22.246   1.3005   67.077   7.7369   73.164   9.7450   56.699   12.725   23.189   1.5739   20.215   2.3899 2.973808 2.861599 
1 1 1   17   15  -28 o   28.548   1.0283  109.833   7.8848  130.096   10.894   87.544   11.426   31.037   1.3069   25.358   1.6872 5.678679 2.134145 
1 1 1   17   15  -27 o   31.936   0.8968  137.317   7.6927  137.442   10.162  137.150   11.773   31.921   1.1853   31.862   1.3757 0.5825424E-01 1.815867 
1 1 1   17   15  -26 o   28.801   1.0104  111.742   7.8158  115.169   9.9379  106.185   12.655   29.214   1.2665   27.948   1.6938 1.265429 2.114938 
1 1 1   17   15  -25 o   42.528   0.8067  243.350   9.2151  248.034   12.083  236.836   14.248   42.907   1.0484   41.897   1.2661 1.010281 1.643840 
1 1 1   17   15  -24 o   9.2347   2.0679   12.040   5.0015   13.419   5.9321   8.6494   9.3014   9.7323   2.3049   8.6259   3.1221 1.106381 3.880726 
1 1 1   17   15  -23 o   44.502   0.9110  266.558   10.888  258.123   15.019  275.905   15.809   43.744   1.2783   45.222   1.3015 -1.477985 1.824274 
1 1 1   17   15  -22 o   17.250   1.3533   40.396   6.2196   36.209   8.2537   45.897   9.4610   16.230   1.9313   18.294   1.9557 -2.064468 2.748643 
1 1 1   17   15  -21 o   73.382   0.8127  724.364   16.017  747.107   22.726  701.915   22.578   74.466   1.1362   72.172   1.1647 2.293221 1.627161 
1 1 1   17   15  -20 o   6.9937   2.2820   6.4130   4.9267   7.4923   6.2844   4.6917   7.9359   7.6566   2.5799   7.2974   2.8312 0.3591790 3.830371 
1 1 1   17   15  -19 o   43.712   0.8158  256.997   9.5777  264.105   14.380  251.331   12.840   44.272   1.2093   43.200   1.1066 1.072189 1.639224 
1 1 1   17   15  -18 o   54.834   0.8071  404.368   11.887  400.088   18.099  407.615   15.764   54.491   1.2366   55.024   1.0667 -0.5335617 1.633105 
1 1 1   17   15  -17 o   19.013   1.2553   48.917   6.3744   51.566   9.5162   46.761   8.5851   19.441   1.8445   18.521   1.7464 0.9205036 2.540104 
1 1 1   17   15  -16 o   8.3634   2.2307   9.8154   5.1032   8.5530   6.3604   12.097   8.5500   8.0362   2.5907   9.4730   2.9984 -1.436805 3.962568 
1 1 1   17   15  -15 o   38.086   0.8408  195.055   8.6012  210.083   12.977  183.281   11.487   39.497   1.2233   36.897   1.1591 2.600117 1.685212 
1 1 1   17   15  -14 o   94.628   0.9901  1204.62   25.165  1212.65   39.569  1199.17   32.609   94.823   1.5536   94.357   1.2867 0.4655457 2.017270 
1 1 1   17   15  -13 o   49.543   0.7743  329.966   10.304  332.383   14.914  327.758   14.253   49.697   1.1173   49.354   1.0752 0.3431816 1.550614 
1 1 1   17   15  -12 o   32.503   0.7996  142.023   6.9808  137.163   9.6014  147.474   10.168   31.926   1.1197   33.103   1.1436 -1.176847 1.600438 
1 1 1   17   15  -11 o   14.012   1.3688   26.695   5.0860   26.136   6.9234   27.350   7.4960   13.781   1.9229   14.082   2.0414 -0.3015137 2.804419 
1 1 1   17   15  -10 o  112.579   1.0097  1704.65   30.530  1689.88   42.920  1719.78   43.437  112.005   1.4267  112.991   1.4313 -0.9854050 2.020897 
1 1 1   17   15   -9 o   40.320   0.7965  218.530   8.6255  220.689   11.534  215.791   12.992   40.505   1.0602   40.043   1.2080 0.4617233 1.607244 
1 1 1   17   15   -8 o   61.943   0.8609  515.822   14.322  514.551   17.675  518.253   24.443   61.850   1.0639   62.027   1.4671 -0.1776009 1.812322 
1 1 1   17   15   -7 o   22.681   1.0326   69.188   6.2904   84.510   8.4393   50.032   9.4359   25.027   1.2595   19.168   1.8561 5.858929 2.243051 
1 1 1   17   15   -6 f   60.528   0.7920  492.430   12.875  492.763   17.304  492.017   19.272   60.528   1.0644   60.471   1.1865 0.5698395E-01 1.593976 
1 1 1   17   15   -5 o   59.024   0.7470  468.214   11.842  456.358   16.636  480.391   16.861   58.250   1.0633   59.765   1.0504 -1.515224 1.494642 
1 1 1   17   15   -4 o   85.222   0.8521  976.286   19.503  990.111   27.829  962.941   27.341   85.782   1.2078   84.598   1.2033 1.184578 1.704935 
1 1 1   17   15   -3 o   22.870   0.9592   70.325   5.8920   81.364   8.6280   60.679   8.0655   24.552   1.3131   21.181   1.4260 3.371077 1.938533 
1 1 1   17   15   -2 o   22.525   1.0056   68.227   6.0839   67.211   9.2901   68.990   8.0504   22.282   1.5622   22.601   1.3321 -0.3183441 2.052997 
1 1 1   17   15   -1 o   42.205   0.7717  239.398   8.7483  231.661   13.106  245.616   11.749   41.497   1.1759   42.737   1.0235 -1.240730 1.558936 
1 1 1   17   15    0 f   33.353   0.8283  149.523   7.4205  147.012   11.442  151.345   9.7485   33.051   1.2889   33.545   1.0820 -0.4939613 1.682865 
1 1 1   17   15    1 o   39.460   0.7486  209.258   7.9343  216.508   11.564  202.808   10.907   40.122   1.0730   38.834   1.0457 1.288708 1.498275 
1 1 1   17   15    2 o   17.388   1.2477   40.892   5.7883   47.177   9.1531   36.704   7.4720   18.610   1.8559   16.412   1.7207 2.198551 2.530814 
1 1 1   17   15    3 o   42.401   0.7865  241.637   8.9570  239.769   13.699  243.032   11.838   42.214   1.2082   42.511   1.0368 -0.2967796 1.592064 
1 1 1   17   15    4 o   49.047   0.7740  323.318   10.196  326.341   15.419  320.968   13.592   49.251   1.1656   48.854   1.0358 0.3979797 1.559313 
1 1 1   17   15    5 o   12.391   1.6920   21.078   5.4840   24.250   8.1777   18.486   7.3927   13.187   2.3971   11.469   2.4726 1.717926 3.443794 
1 1 1   17   15    6 f   63.555   0.7616  542.869   13.000  555.056   18.568  531.151   18.207   64.239   1.0762   62.840   1.0787 1.398777 1.523715 
1 1 1   17   15    7 o   18.449   1.1261   45.959   5.5531   48.507   7.8488   43.404   7.8578   18.910   1.5592   17.868   1.6561 1.041580 2.274615 
1 1 1   17   15    8 o   41.318   0.7541  229.450   8.3683  223.458   11.835  235.442   11.834   40.758   1.0811   41.838   1.0531 -1.080395 1.509241 
1 1 1   17   15    9 o   41.057   0.7783  226.581   8.5832  230.245   11.676  222.274   12.661   41.373   1.0507   40.644   1.1598 0.7294769 1.564961 
1 1 1   17   15   10 o   32.959   0.9424  146.077   8.3424  145.588   10.195  147.067   14.513   32.893   1.1540   33.026   1.6361 -0.1336479 2.002109 
1 1 1   17   15   11 o   22.559   1.0510   68.459   6.3678   82.102   8.3518   49.514   9.8412   24.663   1.2650   19.048   1.9511 5.615198 2.325344 
1 1 1   17   15   12 o   43.356   0.8210  252.711   9.5605  252.496   13.355  252.938   13.693   43.315   1.1479   43.350   1.1760 -0.3556824E-01 1.643368 
1 1 1   17   15   13 o   10.210   1.9982   14.574   5.2834   11.024   6.7773   20.073   8.4359   8.9395   2.6401   11.921   2.6976 -2.981664 3.774552 
1 1 1   17   15   14 o   47.810   0.7805  307.308   10.023  308.739   14.481  305.992   13.887   47.894   1.1257   47.684   1.0843 0.2096519 1.562953 
1 1 1   17   15   15 o   17.949   1.2991   43.625   6.2207   52.000   8.9289   35.726   8.6714   19.550   1.7179   16.121   2.0489 3.428759 2.673804 
1 1 1   17   15   16 o   73.978   0.8490  735.999   16.869  743.207   22.785  727.255   25.095   74.297   1.1418   73.472   1.2717 0.8242264 1.709040 
1 1 1   17   15   17 o   29.706   0.9450  118.726   7.5400  111.406   10.987  125.240   10.366   28.742   1.4233   30.488   1.2659 -1.745626 1.904776 
1 1 1   17   15   18 o   75.010   0.8567  756.834   17.260  754.094   23.197  760.231   25.834   74.826   1.1542   75.105   1.2806 -0.2787476 1.724024 
1 1 1   17   15   19 o   22.470   1.1136   68.002   6.7211   65.781   9.3130   70.415   9.7095   22.012   1.5858   22.777   1.5972 -0.7641830 2.250759 
1 1 1   17   15   20 o   24.732   1.0370   82.354   6.8886   86.903   9.6646   77.657   9.8213   25.337   1.4260   23.931   1.5361 1.406004 2.095955 
1 1 1   17   15   21 o   60.828   0.8053  497.719   13.157  472.918   18.750  521.778   18.467   59.238   1.1784   62.237   1.1047 -2.998116 1.615271 
1 1 1   17   15   22 o   40.965   0.8353  225.783   9.1911  249.860   13.316  203.876   12.702   43.059   1.1514   38.888   1.2161 4.171360 1.674692 
1 1 1   17   15   23 o   26.141   1.0167   92.030   7.1384  100.061   8.9797   78.240   11.766   27.240   1.2273   23.958   1.8427 3.282604 2.214001 
1 1 1   17   15   24 o   38.100   0.8788  195.372   8.9935  209.200   13.276  183.645   12.226   39.381   1.2551   36.901   1.2336 2.480801 1.759848 
1 1 1   17   15   25 o   42.712   0.8620  245.523   9.8892  251.020   14.651  240.923   13.403   43.134   1.2646   42.270   1.1805 0.8638725 1.730013 
1 1 1   17   15   26 o   14.297   1.5868   27.990   5.9903   26.670   7.4673   30.373   10.033   13.857   2.0698   14.674   2.6429 -0.8172770 3.356924 
1 1 1   17   15   27 o   16.454   1.5298   36.934   6.6833   45.408   8.7154   24.837   10.413   18.208   1.8059   13.162   3.0108 5.046314 3.510867 
1 1 1   17   15   28 o   28.902   0.9590  112.518   7.4446  121.433   9.5469   98.686   11.892   30.001   1.1848   26.938   1.6516 3.063183 2.032572 
1 1 1   17   15   29 o   38.149   0.8682  195.956   8.8959  187.501   12.466  204.730   12.698   37.265   1.2455   38.945   1.2140 -1.679626 1.739257 
1 1 1   17   15   30 o   41.575   0.8416  232.732   9.3974  248.283   13.665  218.781   12.944   42.886   1.1863   40.256   1.1971 2.630371 1.685400 
1 1 1   17   15   31 o   13.849   1.6525   26.390   6.0254   23.273   7.9423   30.618   9.2484   12.825   2.3937   14.751   2.4181 -1.925665 3.402492 
1 1 1   17   15   32 o   39.636   0.8533  211.630   9.0847  209.778   12.815  213.500   12.881   39.401   1.2109   39.750   1.2065 -0.3488960 1.709334 
1 1 1   17   15   33 o   20.461   1.2531   56.822   6.8536   63.331   8.9564   47.626   10.646   21.546   1.5582   18.518   2.1824 3.028101 2.681556 
1 1 1   17   15   34 o   18.855   1.1176   48.187   5.6347   46.001   6.6947   53.496   10.435   18.379   1.3659   19.682   2.0018 -1.302301 2.423376 
1 1 1   17   15   35 o   14.199   1.4792   27.644   5.5584   34.213   6.2958   4.4280   11.836   15.808   1.5008   8.2655   3.3732 7.542416 3.691978 
1 1 1   17   15   36 o   50.979   0.8133  350.136   11.136  346.453   13.997  356.491   18.384   50.662   1.0286   51.302   1.3342 -0.6397247 1.684635 
1 1 1   17   15   37 o   36.237   0.8764  177.009   8.5302  173.847   10.439  183.364   14.798   35.877   1.0833   36.750   1.4992 -0.8734474 1.849626 
1 1 1   17   15   38 o   17.171   1.5784   40.410   7.1982   39.561   9.6739   41.462   10.774   16.833   2.1916   17.176   2.4011 -0.3427467 3.250972 
1 1 1   17   15   39 o   73.133   1.0209  722.140   20.054  714.831   30.255  727.869   26.783   72.507   1.5535   73.271   1.3609 -0.7631454 2.065320 
1 1 1   17   15   40 f   24.130   1.5172   79.482   9.7830   71.056   13.756   88.106   13.916   22.569   2.3015   25.239   2.0711 -2.669769 3.096182 
1 1 1   17   15   41 f   15.386   2.7771   34.141   11.054   33.571   15.970   34.666   15.317   14.862   3.9376   15.150   3.7773 -0.2872849 5.456396 
1 1 1   17   15   42 o   45.361   1.3501  279.707   16.449  266.284   23.367  292.892   23.159   43.955   1.9792   46.163   1.8678 -2.208496 2.721409 
1 1 1   17   15   43 o   8.0390   3.3578   3.5148   12.100   1.9758   18.520   4.6611   15.983   9.2914   4.0246   9.1144   3.8363 0.1770697 5.560082 
1 1 1   17   15   44 f   30.525   1.8823  129.442   15.357  134.762   23.098  125.226   20.560   30.509   2.8519   29.572   2.6155 0.9372387 3.869607 
1 1 1   17   15   45 o   25.468   2.1437   91.617   14.528   91.587   21.027   91.645   20.094   24.713   3.2464   24.850   3.0764 -0.1368008 4.472476 
1 1 1   17   15   46 o   14.199   4.2051   33.574   17.173   0.0000   0.0000   33.574   17.173  ?   ?    14.199   4.2051 0.000000 4.205074 
1 1 1   17   15   47 f   8.0171   3.6177  -2.6220   16.526   0.0000   0.0000  -2.6220   16.526  ?   ?    8.0171   3.6177 0.000000 3.617729 
1 1 1   17   15   48 o   11.422   4.7160   19.200   23.477   0.0000   0.0000   19.200   23.477  ?   ?    11.422   4.7160 0.000000 4.716046 
1 1 1   17   16  -46 o   26.733   4.0962  118.600   28.474   0.0000   0.0000  118.600   28.474  ?   ?    26.733   4.0962 0.000000 4.096175 
1 1 1   17   16  -45 o   31.078   2.5213  140.308   20.865   0.0000   0.0000  140.308   20.865  ?   ?    31.078   2.5213 0.000000 2.521338 
1 1 1   17   16  -44 o   11.210   4.1824   18.290   16.901   0.0000   0.0000   18.290   16.901  ?   ?    11.210   4.1824 0.000000 4.182361 
1 1 1   17   16  -43 o   7.0153   3.1279  -2.5198   11.953   2.3613   16.934  -7.3670   16.875   8.8822   3.8479   7.7784   3.5661 1.103834 5.246278 
1 1 1   17   16  -42 o   31.425   1.8512  136.839   15.556  149.988   23.189  126.081   20.977   32.364   2.6921   29.680   2.6596 2.684383 3.784280 
1 1 1   17   16  -41 o   11.184   3.4404   18.507   11.343  -7.1213   16.474   41.607   15.640   7.8131   3.5597   16.559   3.6178 -8.745680 5.075425 
1 1 1   17   16  -40 o   23.323   2.0123   75.491   12.482   81.616   17.639   69.348   17.667   23.911   2.7995   21.877   3.0927 2.033619 4.171613 
1 1 1   17   16  -39 o   46.619   1.1076  293.997   13.868  303.111   19.585  284.831   19.641   47.175   1.5457   45.707   1.5999 1.467442 2.224589 
1 1 1   17   16  -38 o   23.798   1.6752   77.598   10.640   91.379   14.048   59.058   16.294   25.712   2.0513   20.247   3.0944 5.464453 3.712522 
1 1 1   17   16  -37 o   26.893   1.5695   98.707   11.288  108.668   14.731   84.542   17.568   28.098   1.9643   24.487   2.7168 3.610439 3.352556 
1 1 1   17   16  -36 o   9.6609   3.3703   12.191   10.749   9.4203   16.237   14.354   14.342   10.084   4.0080   10.662   3.8742 -0.5782719 5.574368 
1 1 1   17   16  -35 o   24.273   1.4117   80.187   9.1643   71.646   20.667   82.278   10.224   22.154   3.5965   24.554   1.5584 -2.399267 3.919597 
1 1 1   17   16  -34 o   62.991   0.9678  535.364   16.374  559.427   33.194  527.627   18.823   63.946   1.9326   62.484   1.1216 1.462479 2.234506 
1 1 1   17   16  -33 o   11.027   2.5746   17.502   7.4867   5.7433   10.730   28.656   10.451   8.2225   3.2613   14.096   2.8581 -5.873541 4.336503 
1 1 1   17   16  -32 o   28.951   1.1342  113.252   8.8196  113.813   11.191  112.332   14.328   28.969   1.4383   28.624   1.8740 0.3444176 2.362323 
1 1 1   17   16  -31 o   14.708   1.8486   29.945   7.1412   41.174   8.8731   9.2960   12.032   17.257   1.9485   9.2654   3.5134 7.991281 4.017550 
1 1 1   17   16  -30 o   4.8463   2.1453  -1.6908   5.5221  -4.7987   7.7501   1.5142   7.8702   5.3300   2.4335   6.5011   2.7111 -1.171155 3.643076 
1 1 1   17   16  -29 o   50.608   0.8365  344.938   11.370  349.289   17.032  341.440   15.272   50.838   1.2473   50.292   1.1306 0.5460510 1.683466 
1 1 1   17   16  -28 o   37.202   0.8058  186.323   8.0520  179.577   10.658  195.295   12.291   36.485   1.0876   38.028   1.2033 -1.543854 1.621957 
1 1 1   17   16  -27 o   28.253   0.8996  107.516   6.8269  120.024   9.0805   91.255   10.354   29.826   1.1335   25.920   1.4935 3.905310 1.874934 
1 1 1   17   16  -26 o   19.811   1.2503   53.199   6.6185   55.164   8.5932   50.333   10.377   20.116   1.6038   19.116   2.0533 1.000099 2.605437 
1 1 1   17   16  -25 o   39.731   1.0078  212.706   10.755  218.904   19.440  209.972   12.910   40.158   1.8023   39.444   1.2186 0.7137756 2.175569 
1 1 1   17   16  -24 o   56.037   0.8531  422.681   12.840  433.210   16.386  405.934   20.667   56.692   1.0761   54.808   1.4039 1.884159 1.768891 
1 1 1   17   16  -23 o   49.220   0.8487  326.067   11.219  330.880   14.189  318.038   18.328   49.551   1.0661   48.517   1.4064 1.033394 1.764827 
1 1 1   17   16  -22 f   7.9149   2.4416   8.5583   5.7083   14.773   6.7344  -7.3032   10.758   10.196   2.4823   6.2044   2.8456 3.991690 3.776141 
1 1 1   17   16  -21 o   51.671   0.8304  359.266   11.525  366.097   14.885  349.041   18.210   52.127   1.0632   50.851   1.3333 1.276093 1.705273 
1 1 1   17   16  -20 o   10.932   1.8248   16.625   5.1692   13.793   6.6331   21.004   8.2492   9.8605   2.5008   12.168   2.6029 -2.307222 3.609550 
1 1 1   17   16  -19 f   28.032   0.9835  105.807   7.4052  115.163   10.803   97.516   10.170   29.209   1.3771   26.837   1.4160 2.371569 1.975153 
1 1 1   17   16  -18 f   36.454   0.8053  178.772   7.8850  170.572   10.648  188.730   11.734   35.581   1.1141   37.421   1.1674 -1.839993 1.613730 
1 1 1   17   16  -17 o   25.391   0.9400   86.775   6.4104   88.982   8.5333   83.916   9.7120   25.691   1.2366   24.889   1.4592 0.8027267 1.912732 
1 1 1   17   16  -16 o   54.618   0.7868  401.221   11.543  398.951   16.567  403.362   16.092   54.420   1.1334   54.725   1.0948 -0.3057327 1.575818 
1 1 1   17   16  -15 o   61.562   0.8385  509.794   13.864  520.808   21.318  501.721   18.250   62.157   1.2769   61.035   1.1133 1.121979 1.694098 
1 1 1   17   16  -14 o   51.233   0.9810  353.257   13.499  407.496   24.787  330.387   16.096   54.912   1.6806   49.519   1.2102 5.393120 2.070974 
1 1 1   17   16  -13 o   76.117   1.0164  779.809   20.780  778.923   34.270  780.325   26.132   75.929   1.6804   76.094   1.2786 -0.1643982 2.111494 
1 1 1   17   16  -12 o   44.469   0.7806  265.903   9.3231  257.344   13.436  273.852   12.948   43.716   1.1443   45.104   1.0688 -1.388046 1.565753 
1 1 1   17   16  -11 o   24.158   0.9907   78.527   6.4280   84.030   8.6515   71.746   9.6041   24.939   1.2960   23.006   1.5636 1.933674 2.030849 
1 1 1   17   16  -10 o   10.912   1.8586   16.539   5.2522   16.251   6.9406   16.924   8.0342   10.729   2.4609   10.937   2.7406 -0.2080383 3.683299 
1 1 1   17   16   -9 o   26.926   0.9498   97.524   6.8691   98.052   9.1023   96.827   10.469   26.982   1.2560   26.759   1.4622 0.2222042 1.927557 
1 1 1   17   16   -8 o   57.577   0.8362  445.757   12.932  436.560   16.326  461.248   21.189   56.958   1.0672   58.511   1.3483 -1.553143 1.719493 
1 1 1   17   16   -7 o   23.967   1.0272   77.285   6.6124   78.083   8.5917   76.125   10.356   24.039   1.3360   23.698   1.6371 0.3408718 2.112989 
1 1 1   17   16   -6 o   76.717   0.8169  791.280   16.833  790.048   23.739  792.526   23.872   76.614   1.1536   76.733   1.1583 -0.1193771 1.634761 
1 1 1   17   16   -5 o   55.101   0.7495  408.112   11.092  406.605   15.751  409.594   15.622   54.972   1.0668   55.175   1.0541 -0.2029266 1.499727 
1 1 1   17   16   -4 o   65.056   0.8092  568.980   14.139  579.855   21.310  560.427   18.898   65.631   1.2089   64.537   1.0902 1.094490 1.627906 
1 1 1   17   16   -3 o   11.341   1.7968   17.783   5.2907   7.6263   7.7721   26.553   7.2224   8.0512   2.8609   13.878   1.9950 -5.826548 3.487816 
1 1 1   17   16   -2 o  122.609   1.1239  2022.95   37.011  2012.55   54.858  2031.64   50.142  122.144   1.6721  122.770   1.5206 -0.6250687 2.260166 
1 1 1   17   16   -1 o   16.973   1.2164   38.976   5.5086   21.882   8.0742   53.861   7.5344   12.487   2.4947   19.945   1.4156 -7.458097 2.868370 
1 1 1   17   16    0 f   34.843   0.7897  163.199   7.3907  168.844   10.726  158.096   10.198   35.422   1.1274   34.277   1.1077 1.144665 1.580488 
1 1 1   17   16    1 o   62.456   0.7637  524.344   12.811  532.271   18.403  516.890   17.845   62.896   1.0894   61.983   1.0719 0.9135551 1.528290 
1 1 1   17   16    2 o   80.102   0.8272  862.624   17.796  866.880   25.271  858.436   25.065   80.255   1.1723   79.864   1.1685 0.3912582 1.655234 
1 1 1   17   16    3 o   38.965   0.8116  204.118   8.4935  193.877   12.859  212.043   11.312   37.947   1.2617   39.700   1.0609 -1.752861 1.648425 
1 1 1   17   16    4 o   74.036   0.8404  736.978   16.712  748.920   25.095  727.461   22.403   74.581   1.2527   73.522   1.1345 1.059357 1.690096 
1 1 1   17   16    5 o   44.255   0.7885  263.286   9.3724  251.882   13.974  272.612   12.636   43.256   1.2027   45.014   1.0451 -1.758045 1.593395 
1 1 1   17   16    6 o   55.543   0.7880  414.737   11.756  405.507   17.615  422.150   15.787   54.884   1.1949   56.014   1.0493 -1.130394 1.590247 
1 1 1   17   16    7 o   21.517   1.0449   62.296   6.0386   58.165   8.4198   66.672   8.6653   20.714   1.5241   22.193   1.4619 -1.478361 2.111860 
1 1 1   17   16    8 o   51.467   0.8123  356.144   11.229  362.201   14.619  347.430   17.535   51.882   1.0491   50.788   1.2854 1.093830 1.659177 
1 1 1   17   16    9 o   52.444   0.7543  369.747   10.624  366.829   14.913  372.754   15.140   52.210   1.0635   52.629   1.0710 -0.4192085 1.509329 
1 1 1   17   16   10 o   38.341   0.8105  197.667   8.3466  196.018   11.018  199.888   12.786   38.163   1.0749   38.524   1.2357 -0.3613701 1.637805 
1 1 1   17   16   11 o   61.071   0.7976  501.503   13.083  495.315   17.593  509.159   19.569   60.661   1.0798   61.489   1.1849 -0.8274765 1.603099 
1 1 1   17   16   12 o   46.499   0.7850  290.733   9.8035  295.593   13.261  284.874   14.559   46.862   1.0535   45.992   1.1786 0.8705940 1.580799 
1 1 1   17   16   13 o   30.251   1.0006  123.162   8.1302  136.657   11.970  111.603   11.078   31.833   1.3999   28.764   1.4339 3.068569 2.003948 
1 1 1   17   16   14 o  106.381   1.1325  1524.15   32.360  1617.71   57.395  1480.55   39.181  109.290   1.9553  104.772   1.3923 4.517349 2.400340 
1 1 1   17   16   15 o   33.888   0.9385  154.544   8.5421  173.180   12.229  136.790   11.937   35.843   1.2703   31.843   1.3956 3.999887 1.887195 
1 1 1   17   16   16 o   38.309   0.8559  197.440   8.8067  193.960   12.934  200.448   12.025   37.930   1.2695   38.571   1.1607 -0.6415024 1.720186 
1 1 1   17   16   17 o   43.479   0.7952  254.285   9.2860  243.506   12.987  265.561   13.283   42.513   1.1374   44.399   1.1138 -1.886440 1.591930 
1 1 1   17   16   18 f   64.285   0.7919  555.896   13.673  555.651   19.096  556.155   19.587   64.221   1.1070   64.245   1.1351 -0.2386475E-01 1.585564 
1 1 1   17   16   19 f   34.753   0.8297  162.497   7.7447  159.215   10.458  166.483   11.525   34.372   1.1328   35.138   1.2212 -0.7658386 1.665672 
1 1 1   17   16   20 o   32.778   0.9146  144.624   8.0517  138.192   10.455  153.997   12.621   32.012   1.2160   33.771   1.3915 -1.759476 1.847928 
1 1 1   17   16   21 o   25.830   0.9806   89.853   6.8036  102.663   9.0119   72.875   10.375   27.590   1.2161   23.141   1.6807 4.448971 2.074495 
1 1 1   17   16   22 f   68.681   0.9868  635.306   18.203  639.837   23.390  628.349   28.985   68.861   1.2646   68.149   1.5835 0.7123718 2.026552 
1 1 1   17   16   23 o   17.904   1.5708   43.698   7.4773   47.403   11.009   40.525   10.188   18.512   2.2610   17.093   2.2756 1.419140 3.207916 
1 1 1   17   16   24 o   66.443   0.8830  594.333   15.758  601.772   20.181  582.710   25.224   66.806   1.1247   65.658   1.4303 1.147568 1.819561 
1 1 1   17   16   25 o   26.112   1.0620   91.910   7.4480   92.716   9.6768   90.739   11.666   26.157   1.3823   25.818   1.6917 0.3389778 2.184605 
1 1 1   17   16   26 o   51.848   0.8256  361.874   11.497  362.733   16.705  361.100   15.847   51.842   1.1997   51.738   1.1404 0.1044617 1.655187 
1 1 1   17   16   27 o   28.516   0.9378  109.555   7.1826  104.444   9.4539  116.535   11.047   27.807   1.2658   29.353   1.4012 -1.546352 1.888262 
1 1 1   17   16   28 o   18.661   1.1968   47.212   5.9667   47.461   7.7594   46.852   9.3333   18.648   1.5636   18.454   1.9107 0.1934795 2.468914 
1 1 1   17   16   29 o   28.367   0.9346  108.451   7.1206  104.092   9.3011  114.624   11.068   27.752   1.2478   29.096   1.4163 -1.343676 1.887524 
1 1 1   17   16   30 o   17.188   1.4142   40.285   6.4710   43.213   8.2408   35.576   10.451   17.737   1.7527   15.875   2.5364 1.862349 3.083113 
1 1 1   17   16   31 o   25.552   1.0654   88.137   7.3120   81.592   9.3834   98.254   11.667   24.493   1.4326   26.839   1.6261 -2.345978 2.167163 
1 1 1   17   16   32 o   28.533   0.9697  109.822   7.4313  108.519   9.1384  112.364   12.769   28.329   1.2010   28.690   1.6641 -0.3611507 2.052266 
1 1 1   17   16   33 o   19.694   1.6983   53.200   8.8956   48.600   16.180   55.193   10.649   18.251   3.4265   19.980   2.0118 -1.728632 3.973443 
1 1 1   17   16   34 o   39.728   1.1328  213.320   12.087  215.449   21.394  212.322   14.649   39.603   2.0179   39.574   1.3782 0.2932739E-01 2.443656 
1 1 1   17   16   35 o   30.324   1.2421  124.458   10.117  119.406   15.657  128.080   13.256   29.461   1.9904   30.639   1.6165 -1.178368 2.564085 
1 1 1   17   16   36 o   28.491   1.0931  109.680   8.3651  101.454   11.217  119.987   12.556   27.280   1.5372   29.661   1.5818 -2.381475 2.205643 
1 1 1   17   16   37 o   28.260   1.1385  107.984   8.6414  107.908   11.959  108.067   12.501   28.117   1.5901   28.116   1.6627 0.3871918E-03 2.300637 
1 1 1   17   16   38 o   17.195   2.0952   41.223   9.4768   45.919   13.013   35.920   13.829   17.924   2.7941   15.598   3.3971 2.325997 4.398518 
1 1 1   17   16   39 o   40.368   1.1776  220.646   12.768  223.026   17.659  218.039   18.482   40.435   1.6260   39.943   1.7227 0.4924278 2.368888 
1 1 1   17   16   40 o   13.209   3.2441   25.957   11.426   24.228   16.303   27.626   16.019   12.751   4.1508   13.477   4.0772 -0.7263632 5.818361 
1 1 1   17   16   41 o   33.171   1.6045  150.554   14.295  136.521   20.411  164.065   20.028   31.115   2.4624   34.295   2.1857 -3.179419 3.292488 
1 1 1   17   16   42 o   14.524   3.2747   31.877   12.470   33.566   19.084   30.619   16.473   14.453   4.4653   13.929   4.1168 0.5240517 6.073458 
1 1 1   17   16   43 o   17.681   2.8640   46.097   13.136   50.444   18.607   41.778   18.547   17.822   3.9868   16.028   4.2421 1.794188 5.821540 
1 1 1   17   16   44 o   34.332   2.3789  168.495   21.801   0.0000   0.0000  168.495   21.801  ?   ?    34.332   2.3789 0.000000 2.378911 
1 1 1   17   16   45 o   23.887   2.9582   85.529   18.574   0.0000   0.0000   85.529   18.574  ?   ?    23.887   2.9582 0.000000 2.958157 
1 1 1   17   16   46 o   12.281   4.9052   24.760   24.431   0.0000   0.0000   24.760   24.431  ?   ?    12.281   4.9052 0.000000 4.905191 
1 1 1   17   16   47 o   9.1352   4.0416   4.0550   19.571   0.0000   0.0000   4.0550   19.571  ?   ?    9.1352   4.0416 0.000000 4.041550 
1 1 1   17   17    0 o   57.244   1.0694  440.587   16.443  435.589   23.401  445.461   23.108   56.883   1.5316   57.528   1.4955 -0.6441841 2.140698 
1 1 1   17   17    1 o   77.154   0.8215  800.527   17.023  795.402   24.171  805.571   23.979   76.851   1.1710   77.344   1.1543 -0.4927444 1.644256 
1 1 1   17   17    2 o   28.896   0.8731  112.311   6.7764  108.427   9.8147  115.849   9.3674   28.366   1.2882   29.328   1.1892 -0.9622021 1.753181 
1 1 1   17   17    3 o   21.122   1.0557   60.056   5.9892   60.068   8.7090   60.046   8.2496   21.040   1.5521   21.047   1.4685 -0.7411957E-02 2.136673 
1 1 1   17   17    4 o   84.515   0.9379  961.031   21.290  976.666   34.032  950.977   27.289   85.080   1.4892   84.021   1.2092 1.059799 1.918353 
1 1 1   17   17    5 f   30.006   0.9451  121.144   7.6170  106.739   11.188  133.588   10.399   28.087   1.4884   31.489   1.2296 -3.401562 1.930574 
1 1 1   17   17    6 o   88.159   1.1355  1046.68   26.887  1007.73   40.282  1077.96   36.107   86.341   1.7370   89.372   1.5042 -3.030785 2.297776 
1 1 1   17   17    7 o   48.293   0.8645  313.726   11.214  282.808   18.415  331.946   14.137   45.776   1.4978   49.655   1.0600 -3.879158 1.834947 
1 1 1   17   17    8 o   67.811   0.8534  618.558   15.544  636.884   24.528  606.259   20.094   68.727   1.3288   67.094   1.1150 1.632965 1.734600 
1 1 1   17   17    9 o   32.235   0.8984  139.807   7.7787  139.956   11.546  139.683   10.526   32.215   1.3344   32.195   1.2172 0.2028275E-01 1.806176 
1 1 1   17   17   10 o   14.470   1.5073   28.575   5.7723   26.834   7.9718   30.495   8.3692   13.889   2.2112   14.835   2.1640 -0.9469547 3.093911 
1 1 1   17   17   11 o   14.887   1.6974   30.356   6.6660   17.039   9.7078   42.237   9.1695   10.991   3.1349   17.541   1.9809 -6.550056 3.708308 
1 1 1   17   17   12 o   6.7119   2.5725   4.2123   6.4940   9.8018   10.695   0.9484   8.1730   9.2111   3.3457   6.5396   2.7474 2.671495 4.329251 
1 1 1   17   17   13 o   71.112   0.8420  680.384   16.083  684.645   21.743  675.237   23.899   71.280   1.1357   70.762   1.2574 0.5184021 1.694372 
1 1 1   17   17   14 o   54.823   0.7988  404.331   11.762  417.428   15.908  388.538   17.469   55.667   1.0640   53.682   1.2116 1.985199 1.612446 
1 1 1   17   17   15 o   37.889   0.8077  193.141   8.2196  201.760   11.419  183.873   11.841   38.695   1.0987   36.929   1.1938 1.766209 1.622439 
1 1 1   17   17   16 o   15.850   1.3440   34.153   5.6679   26.317   7.3654   45.531   8.8753   13.770   2.0542   18.235   1.8371 -4.464918 2.755870 
1 1 1   17   17   17 o   46.539   0.7800  291.388   9.7495  303.089   13.562  278.872   14.026   47.428   1.0646   45.481   1.1482 1.946487 1.565785 
1 1 1   17   17   18 o   46.204   0.7797  287.226   9.6758  298.746   13.312  274.321   14.089   47.086   1.0526   45.104   1.1629 1.982464 1.568549 
1 1 1   17   17   19 o   21.440   1.1498   62.161   6.5973   62.638   8.4279   61.406   10.602   21.476   1.4699   21.187   1.8826 0.2890987 2.388526 
1 1 1   17   17   20 o   40.554   0.9700  221.529   10.566  219.115   12.120  229.171   21.567   40.313   1.1193   41.061   1.9555 -0.7480469 2.253238 
1 1 1   17   17   21 o   42.487   0.9100  243.079   10.384  226.367   14.228  262.130   15.191   40.944   1.2938   44.062   1.2836 -3.117661 1.822508 
1 1 1   17   17   22 o   39.468   0.8176  209.668   8.6676  208.762   11.731  210.757   12.863   39.345   1.1101   39.517   1.2119 -0.1717720 1.643460 
1 1 1   17   17   23 o   25.874   1.0416   90.252   7.2387   94.115   9.2696   84.216   11.589   26.393   1.3076   24.849   1.7474 1.544159 2.182518 
1 1 1   17   17   24 o   8.0214   2.4638   8.8557   5.8196   2.3221   7.6264   17.964   9.0043   6.6054   2.7030   11.187   2.9533 -4.581480 4.003554 
1 1 1   17   17   25 o   41.932   0.8069  236.724   9.0874  234.397   12.417  239.407   13.335   41.679   1.1092   42.109   1.1790 -0.4302063 1.618775 
1 1 1   17   17   26 o   12.288   1.7719   20.943   5.6794   19.758   7.2055   22.887   9.2286   11.799   2.3561   12.622   2.7958 -0.8227291 3.656157 
1 1 1   17   17   27 o   21.214   1.1153   60.925   6.3323   60.967   7.8883   60.849   10.619   21.174   1.3949   21.042   1.8994 0.1317005 2.356532 
1 1 1   17   17   28 o   48.248   0.8884  313.741   11.513  310.185   15.926  317.635   16.663   47.893   1.2381   48.453   1.2804 -0.5600090 1.781087 
1 1 1   17   17   29 o   32.842   0.9364  145.460   8.2602  148.839   11.441  141.781   11.939   33.161   1.2845   32.347   1.3741 0.8140678 1.881020 
1 1 1   17   17   30 o   59.397   0.8516  475.497   13.586  476.439   20.201  474.720   18.358   59.326   1.2677   59.260   1.1534 0.6675339E-01 1.713906 
1 1 1   17   17   31 o   36.240   1.1313  177.527   11.012  207.017   18.360  160.958   13.762   38.957   1.7547   34.426   1.4884 4.531109 2.300933 
1 1 1   17   17   32 o   24.755   1.3949   83.384   9.2364   96.029   15.909   76.954   11.344   26.298   2.2747   23.675   1.7974 2.623466 2.899098 
1 1 1   17   17   33 o   42.622   1.0648  245.423   12.189  267.411   17.258  223.536   17.219   44.378   1.4479   40.531   1.5817 3.846558 2.144300 
1 1 1   17   17   34 o   11.991   2.3602   20.518   7.3307   24.402   10.340   16.593   10.395   12.925   3.0309   10.753   3.2911 2.172310 4.474163 
1 1 1   17   17   35 o   17.415   1.4716   41.491   6.8189   39.599   8.8891   44.196   10.629   16.880   1.9995   17.759   2.2811 -0.8798218 3.033404 
1 1 1   17   17   36 o   17.037   1.8395   40.159   8.2841   48.425   13.318   34.943   10.580   18.414   2.7794   15.647   2.6094 2.767180 3.812323 
1 1 1   17   17   37 o   35.863   1.4649  174.953   14.111  193.052   21.291  160.774   18.844   37.353   2.1310   34.108   2.0667 3.245197 2.968549 
1 1 1   17   17   38 o   13.938   2.6562   28.075   9.5808   30.478   14.022   25.971   13.121   14.198   3.6551   13.136   3.6083 1.062487 5.136165 
1 1 1   17   17   39 o   14.274   3.1179   30.244   11.619   21.281   16.789   38.485   16.098   12.109   4.2127   15.831   3.8279 -3.721745 5.692071 
1 1 1   17   17   40 o   27.334   1.8670  103.615   13.625  108.203   20.063   99.688   18.563   27.437   2.7599   26.391   2.6548 1.046347 3.829483 
1 1 1   17   17   41 o   16.375   3.0742   40.091   13.024   69.544   19.495   16.346   17.504   21.387   3.5159   11.070   4.2281 10.31732 5.498953 
1 1 1   17   17   42 o   8.8168   3.7417   4.6450   15.407 -49.0800   45.732   11.524   16.364   10.198   4.9905   10.026   4.0109 0.1728907 6.402492 
1 1 1   17   17   43 o   15.927   4.1351   42.230   17.845   0.0000   0.0000   42.230   17.845  ?   ?    15.927   4.1351 0.000000 4.135122 
1 1 1   17   17   44 o   12.184   4.2309   24.738   16.930   0.0000   0.0000   24.738   16.930  ?   ?    12.184   4.2309 0.000000 4.230881 
1 1 1   17   17   45 o   12.407   4.8359   27.030   23.235   0.0000   0.0000   27.030   23.235  ?   ?    12.407   4.8359 0.000000 4.835867 
1 1 1   18    0  -55 o   6.8637   4.6421  -5.5225   25.178  -5.5225   25.178  -5.5225   25.178   6.8637   4.6421   6.8637   4.6421 -0.000000 0.000000 
1 1 1   18    0  -54 o   15.444   4.6851   42.384   16.962   42.384   16.962   42.384   16.962   15.444   4.6851   15.444   4.6851 0.000000 0.000000 
1 1 1   18    0  -53 o   11.849   4.4321   26.692   13.153   26.692   13.153   26.692   13.153   11.849   4.4321   11.849   4.4321 0.000000 0.000000 
1 1 1   18    0  -52 o   6.8783   3.7184   9.5673   9.5888   9.5673   9.5888   9.5673   9.5888   6.8783   3.7184   6.8783   3.7184 0.000000 0.000000 
1 1 1   18    0  -51 o   25.739   1.5050   90.491   10.323   90.491   10.323   90.491   10.323   25.739   1.5050   25.739   1.5050 -0.000000 0.000000 
1 1 1   18    0  -50 o   50.931   1.3774  350.985   18.811  350.985   18.811  350.985   18.811   50.931   1.3774   50.931   1.3774 -0.000000 0.000000 
1 1 1   18    0  -49 o   3.0284   2.1523 -10.1037   7.5056 -10.1037   7.5056 -10.1037   7.5056   3.0284   2.1523   3.0284   2.1523 -0.000000 0.000000 
1 1 1   18    0  -48 o   26.383   1.7585   95.456   12.334   95.456   12.334   95.456   12.334   26.383   1.7585   26.383   1.7585 0.000000 0.000000 
1 1 1   18    0  -47 o   53.521   1.9917  390.007   28.541  390.007   28.541  390.007   28.541   53.521   1.9917   53.521   1.9917 -0.000000 0.000000 
1 1 1   18    0  -46 o   21.888   1.4386   65.466   8.3737   65.466   8.3737   65.466   8.3737   21.888   1.4386   21.888   1.4386 -0.000000 0.000000 
1 1 1   18    0  -45 o   28.064   1.2208  106.689   9.1624  106.689   9.1624  106.689   9.1624   28.064   1.2208   28.064   1.2208 0.000000 0.000000 
1 1 1   18    0  -44 o   23.914   1.2773   77.680   8.1510   77.680   8.1510   77.680   8.1510   23.914   1.2773   23.914   1.2773 0.000000 0.000000 
1 1 1   18    0  -43 o   2.9043   2.0153  -4.7222   5.4864  -4.7222   5.4864  -4.7222   5.4864   2.9043   2.0153   2.9043   2.0153 0.000000 0.000000 
1 1 1   18    0  -42 o   80.815   1.3945  880.401   30.249  880.401   30.249  880.401   30.249   80.815   1.3945   80.815   1.3945 0.000000 0.000000 
1 1 1   18    0  -41 o   7.6818   2.8077   10.636   5.3415   10.636   5.3415   10.636   5.3415   7.6818   2.8077   7.6818   2.8077 0.000000 0.000000 
1 1 1   18    0  -40 o   59.018   1.4505  469.850   22.961  469.850   22.961  469.850   22.961   59.018   1.4505   59.018   1.4505 0.000000 0.000000 
1 1 1   18    0  -39 o   15.356   3.1587   35.690   11.509   35.690   11.509   35.690   11.509   15.356   3.1587   15.356   3.1587 0.000000 0.000000 
1 1 1   18    0  -38 o   55.004   1.5950  408.405   23.519  408.405   23.519  408.405   23.519   55.004   1.5950   55.004   1.5950 0.000000 0.000000 
1 1 1   18    0  -37 f   49.578   1.9608  332.822   26.018  332.822   26.018  332.822   26.018   49.578   1.9608   49.578   1.9608 0.000000 0.000000 
1 1 1   18    0  -36 o   8.3364   3.9616   13.842   10.109   13.842   10.109   13.842   10.109   8.3364   3.9616   8.3364   3.9616 0.000000 0.000000 
1 1 1   18    0  -35 o   31.133   2.9105  134.300   23.850  134.300   23.850  134.300   23.850   31.133   2.9105   31.133   2.9105 0.000000 0.000000 
1 1 1   18    0  -34 o  102.449   1.6866  1413.16   46.382  1413.16   46.382  1413.16   46.382  102.449   1.6866  102.449   1.6866 0.000000 0.000000 
1 1 1   18    0  -33 o   6.0632   3.5891   5.5187   10.094   5.5187   10.094   5.5187   10.094   6.0632   3.5891   6.0632   3.5891 0.000000 0.000000 
1 1 1   18    0  -32 o   37.720   1.4359  192.098   14.500  192.098   14.500  192.098   14.500   37.720   1.4359   37.720   1.4359 -0.000000 0.000000 
1 1 1   18    0  -31 o   65.884   1.4031  584.228   24.804  584.228   24.804  584.228   24.804   65.884   1.4031   65.884   1.4031 -0.000000 0.000000 
1 1 1   18    0  -30 o  155.553   2.2617  3258.31   94.448  3258.31   94.448  3258.31   94.448  155.553   2.2617  155.553   2.2617 -0.000000 0.000000 
1 1 1   18    0  -29 o   32.502   2.1879  144.031   18.901  144.031   18.901  144.031   18.901   32.502   2.1879   32.502   2.1879 0.000000 0.000000 
1 1 1   18    0  -28 o   13.047   3.3737   27.040   10.218   27.040   10.218   27.040   10.218   13.047   3.3737   13.047   3.3737 -0.000000 0.000000 
1 1 1   18    0  -27 o  103.884   1.6770  1451.67   46.765  1451.67   46.765  1451.67   46.765  103.884   1.6770  103.884   1.6770 0.000000 0.000000 
1 1 1   18    0  -26 o  126.257   1.9145  2144.37   64.891  2144.37   64.891  2144.37   64.891  126.257   1.9145  126.257   1.9145 0.000000 0.000000 
1 1 1   18    0  -25 o  116.343   1.8043  1820.49   56.350  1820.49   56.350  1820.49   56.350  116.343   1.8043  116.343   1.8043 0.000000 0.000000 
1 1 1   18    0  -24 o   29.304   2.2706  117.508   17.625  117.508   17.625  117.508   17.625   29.304   2.2706   29.304   2.2706 0.000000 0.000000 
1 1 1   18    0  -23 o   86.798   2.1255  1014.41   49.486  1014.41   49.486  1014.41   49.486   86.798   2.1255   86.798   2.1255 -0.000000 0.000000 
1 1 1   18    0  -22 o   9.7838   3.8633   17.729   9.7635   17.729   9.7635   17.729   9.7635   9.7838   3.8633   9.7838   3.8633 0.000000 0.000000 
1 1 1   18    0  -21 o  180.753   2.5505  4394.39  123.770  4394.39  123.770  4394.39  123.770  180.753   2.5505  180.753   2.5505 -0.000000 0.000000 
1 1 1   18    0  -20 o   70.560   1.3839  669.549   26.204  669.549   26.204  669.549   26.204   70.560   1.3839   70.560   1.3839 0.000000 0.000000 
1 1 1   18    0  -19 o   52.534   1.3104  371.394   18.464  371.394   18.464  371.394   18.464   52.534   1.3104   52.534   1.3104 -0.000000 0.000000 
1 1 1   18    0  -18 o  127.127   1.9123  2172.73   65.262  2172.73   65.262  2172.73   65.262  127.127   1.9123  127.127   1.9123 0.000000 0.000000 
1 1 1   18    0  -17 o  184.758   2.5971  4590.02  128.821  4590.02  128.821  4590.02  128.821  184.758   2.5971  184.758   2.5971 0.000000 0.000000 
1 1 1   18    0  -16 o   99.641   1.6106  1334.69   43.078  1334.69   43.078  1334.69   43.078   99.641   1.6106   99.641   1.6106 0.000000 0.000000 
1 1 1   18    0  -15 o  149.988   2.1681  3024.24   87.303  3024.24   87.303  3024.24   87.303  149.988   2.1681  149.988   2.1681 0.000000 0.000000 
1 1 1   18    0  -14 o   40.483   1.4706  220.997   15.942  220.997   15.942  220.997   15.942   40.483   1.4706   40.483   1.4706 0.000000 0.000000 
1 1 1   18    0  -13 o  289.534   3.9262 11277.18  305.201 11277.18  305.201 11277.18  305.201  289.534   3.9262  289.534   3.9262 -0.000000 0.000000 
1 1 1   18    0  -12 o   78.612   1.4171  830.857   29.899  830.857   29.899  830.857   29.899   78.612   1.4171   78.612   1.4171 0.000000 0.000000 
1 1 1   18    0  -11 o   88.290   1.6809  1048.19   39.827  1048.19   39.827  1048.19   39.827   88.290   1.6809   88.290   1.6809 0.000000 0.000000 
1 1 1   18    0  -10 f   31.081   1.1179  130.248   9.3048  130.248   9.3048  130.248   9.3048   31.081   1.1179   31.081   1.1179 0.000000 0.000000 
1 1 1   18    0   -9 o  290.521   3.2084 11346.46  250.284 11346.46  250.284 11346.46  250.284  290.521   3.2084  290.521   3.2084 0.000000 0.000000 
1 1 1   18    0   -8 o   34.388   1.1180  159.324   10.302  159.324   10.302  159.324   10.302   34.388   1.1180   34.388   1.1180 -0.000000 0.000000 
1 1 1   18    0   -7 o   18.869   1.4589   48.670   7.2919   48.670   7.2919   48.670   7.2919   18.869   1.4589   18.869   1.4589 -0.000000 0.000000 
1 1 1   18    0   -6 o  302.043   3.3301 12264.34  270.085 12264.34  270.085 12264.34  270.085  302.043   3.3301  302.043   3.3301 0.000000 0.000000 
1 1 1   18    0   -5 o   37.486   1.0702  189.190   10.755  189.190   10.755  189.190   10.755   37.486   1.0702   37.486   1.0702 0.000000 0.000000 
1 1 1   18    0   -4 o   26.893   1.1937   97.706   8.5839   97.706   8.5839   97.706   8.5839   26.893   1.1937   26.893   1.1937 0.000000 0.000000 
1 1 1   18    0   -3 o   16.482   1.3959   37.266   6.0776   37.266   6.0776   37.266   6.0776   16.482   1.3959   16.482   1.3959 -0.000000 0.000000 
1 1 1   18    0   -2 o  305.449   3.3662 12542.28  276.092 12542.28  276.092 12542.28  276.092  305.449   3.3662  305.449   3.3662 0.000000 0.000000 
1 1 1   18    0   -1 o   36.732   1.4147  182.025   13.910  182.025   13.910  182.025   13.910   36.732   1.4147   36.732   1.4147 0.000000 0.000000 
1 1 1   18    0    0 o   32.212   1.2071  139.943   10.411  139.943   10.411  139.943   10.411   32.212   1.2071   32.212   1.2071 0.000000 0.000000 
1 1 1   18    0    1 o  212.467   3.3809  6070.94  192.827  6070.94  192.827  6070.94  192.827  212.467   3.3809  212.467   3.3809 -0.000000 0.000000 
1 1 1   18    0    2 o  313.951   4.2367 13257.62  357.112 13257.62  357.112 13257.62  357.112  313.951   4.2367  313.951   4.2367 0.000000 0.000000 
1 1 1   18    0    3 o  103.607   1.6102  1442.83   44.784  1442.83   44.784  1442.83   44.784  103.607   1.6102  103.607   1.6102 0.000000 0.000000 
1 1 1   18    0    4 o  143.749   1.8563  2776.99   71.642  2776.99   71.642  2776.99   71.642  143.749   1.8563  143.749   1.8563 0.000000 0.000000 
1 1 1   18    0    5 o  203.173   2.5137  5548.21  137.126  5548.21  137.126  5548.21  137.126  203.173   2.5137  203.173   2.5137 -0.000000 0.000000 
1 1 1   18    0    6 o   12.258   2.4614   22.462   7.1861   22.462   7.1861   22.462   7.1861   12.258   2.4614   12.258   2.4614 0.000000 0.000000 
1 1 1   18    0    7 o   65.849   1.8045  583.742   31.861  583.742   31.861  583.742   31.861   65.849   1.8045   65.849   1.8045 0.000000 0.000000 
1 1 1   18    0    8 o  337.566   4.0633 15325.33  368.288 15325.33  368.288 15325.33  368.288  337.566   4.0633  337.566   4.0633 0.000000 0.000000 
1 1 1   18    0    9 o   44.815   1.1870  270.303   14.265  270.303   14.265  270.303   14.265   44.815   1.1870   44.815   1.1870 0.000000 0.000000 
1 1 1   18    0   10 f   49.817   1.3536  334.058   18.081  334.058   18.081  334.058   18.081   49.817   1.3536   49.817   1.3536 -0.000000 0.000000 
1 1 1   18    0   11 o   59.122   1.4104  470.285   22.367  470.285   22.367  470.285   22.367   59.122   1.4104   59.122   1.4104 0.000000 0.000000 
1 1 1   18    0   12 o   32.748   1.2317  144.647   10.799  144.647   10.799  144.647   10.799   32.748   1.2317   32.748   1.2317 0.000000 0.000000 
1 1 1   18    0   13 o  202.358   2.5097  5504.37  136.357  5504.37  136.357  5504.37  136.357  202.358   2.5097  202.358   2.5097 0.000000 0.000000 
1 1 1   18    0   14 o   69.797   1.3204  655.032   24.733  655.032   24.733  655.032   24.733   69.797   1.3204   69.797   1.3204 0.000000 0.000000 
1 1 1   18    0   15 o   45.187   1.3684  275.011   16.574  275.011   16.574  275.011   16.574   45.187   1.3684   45.187   1.3684 0.000000 0.000000 
1 1 1   18    0   16 o  246.533   3.8909  8179.62  257.497  8179.62  257.497  8179.62  257.497  246.533   3.8909  246.533   3.8909 -0.000000 0.000000 
1 1 1   18    0   17 o   28.198   1.4489  107.648   10.908  107.648   10.908  107.648   10.908   28.198   1.4489   28.198   1.4489 0.000000 0.000000 
1 1 1   18    0   18 o  265.656   3.2349  9492.52  230.744  9492.52  230.744  9492.52  230.744  265.656   3.2349  265.656   3.2349 0.000000 0.000000 
1 1 1   18    0   19 o  108.586   1.5119  1584.83   44.076  1584.83   44.076  1584.83   44.076  108.586   1.5119  108.586   1.5119 -0.000000 0.000000 
1 1 1   18    0   20 o   21.461   1.4200   62.678   8.1031   62.678   8.1031   62.678   8.1031   21.461   1.4200   21.461   1.4200 -0.000000 0.000000 
1 1 1   18    0   21 o   69.075   1.0900  641.364   20.211  641.364   20.211  641.364   20.211   69.075   1.0900   69.075   1.0900 0.000000 0.000000 
1 1 1   18    0   22 o  182.250   2.0911  4465.55  102.332  4465.55  102.332  4465.55  102.332  182.250   2.0911  182.250   2.0911 -0.000000 0.000000 
1 1 1   18    0   23 o   56.427   1.0403  428.113   15.755  428.113   15.755  428.113   15.755   56.427   1.0403   56.427   1.0403 0.000000 0.000000 
1 1 1   18    0   24 o  122.487   1.5098  2016.71   49.652  2016.71   49.652  2016.71   49.652  122.487   1.5098  122.487   1.5098 0.000000 0.000000 
1 1 1   18    0   25 o  125.080   1.6832  2103.62   56.525  2103.62   56.525  2103.62   56.525  125.080   1.6832  125.080   1.6832 0.000000 0.000000 
1 1 1   18    0   26 o   23.192   1.3161   72.964   8.1376   72.964   8.1376   72.964   8.1376   23.192   1.3161   23.192   1.3161 -0.000000 0.000000 
1 1 1   18    0   27 o   79.875   1.2829  857.908   27.507  857.908   27.507  857.908   27.507   79.875   1.2829   79.875   1.2829 0.000000 0.000000 
1 1 1   18    0   28 o  144.559   1.8910  2811.26   73.395  2811.26   73.395  2811.26   73.395  144.559   1.8910  144.559   1.8910 -0.000000 0.000000 
1 1 1   18    0   29 o   12.052   2.9918   22.811   8.3818   22.811   8.3818   22.811   8.3818   12.052   2.9918   12.052   2.9918 -0.000000 0.000000 
1 1 1   18    0   30 o   9.3313   3.3576   15.531   7.7043   15.531   7.7043   15.531   7.7043   9.3313   3.3576   9.3313   3.3576 0.000000 0.000000 
1 1 1   18    0   31 o  107.025   1.3881  1540.36   39.888  1540.36   39.888  1540.36   39.888  107.025   1.3881  107.025   1.3881 0.000000 0.000000 
1 1 1   18    0   32 o   44.585   1.0668  267.563   12.758  267.563   12.758  267.563   12.758   44.585   1.0668   44.585   1.0668 0.000000 0.000000 
1 1 1   18    0   33 o   38.199   1.1137  196.594   11.404  196.594   11.404  196.594   11.404   38.199   1.1137   38.199   1.1137 -0.000000 0.000000 
1 1 1   18    0   34 o   4.6482   2.8784   2.0383   7.1354   2.0383   7.1354   2.0383   7.1354   4.6482   2.8784   4.6482   2.8784 0.000000 0.000000 
1 1 1   18    0   35 o   13.922   2.2576   28.075   7.7758   28.075   7.7758   28.075   7.7758   13.922   2.2576   13.922   2.2576 0.000000 0.000000 
1 1 1   18    0   36 o   28.100   1.4235  107.026   10.681  107.026   10.681  107.026   10.681   28.100   1.4235   28.100   1.4235 -0.000000 0.000000 
1 1 1   18    0   37 f   13.135   2.5078   25.657   7.9115   25.657   7.9115   25.657   7.9115   13.135   2.5078   13.135   2.5078 0.000000 0.000000 
1 1 1   18    0   38 o   49.270   1.1622  327.007   15.361  327.007   15.361  327.007   15.361   49.270   1.1622   49.270   1.1622 -0.000000 0.000000 
1 1 1   18    0   39 o   25.971   1.3805   91.546   9.5678   91.546   9.5678   91.546   9.5678   25.971   1.3805   25.971   1.3805 -0.000000 0.000000 
1 1 1   18    0   40 o   34.541   1.4802  161.547   13.675  161.547   13.675  161.547   13.675   34.541   1.4802   34.541   1.4802 0.000000 0.000000 
1 1 1   18    0   41 o   33.570   1.3040  152.379   11.717  152.379   11.717  152.379   11.717   33.570   1.3040   33.570   1.3040 0.000000 0.000000 
1 1 1   18    0   42 o   40.166   1.2075  217.708   13.000  217.708   13.000  217.708   13.000   40.166   1.2075   40.166   1.2075 -0.000000 0.000000 
1 1 1   18    0   43 o   40.231   1.2099  218.471   13.047  218.471   13.047  218.471   13.047   40.231   1.2099   40.231   1.2099 0.000000 0.000000 
1 1 1   18    0   44 o   48.381   1.3344  316.075   17.311  316.075   17.311  316.075   17.311   48.381   1.3344   48.381   1.3344 0.000000 0.000000 
1 1 1   18    0   45 o   17.628   2.4325   44.506   10.893   44.506   10.893   44.506   10.893   17.628   2.4325   17.628   2.4325 0.000000 0.000000 
1 1 1   18    0   46 o   33.685   1.4505  153.950   13.068  153.950   13.068  153.950   13.068   33.685   1.4505   33.685   1.4505 -0.000000 0.000000 
1 1 1   18    0   47 o   11.817   3.3190   23.055   9.1186   23.055   9.1186   23.055   9.1186   11.817   3.3190   11.817   3.3190 -0.000000 0.000000 
1 1 1   18    0   48 o   17.835   2.1754   45.076   10.007   45.076   10.007   45.076   10.007   17.835   2.1754   17.835   2.1754 -0.000000 0.000000 
1 1 1   18    0   49 o   3.7705   2.6042  -6.6895   8.8898  -6.6895   8.8898  -6.6895   8.8898   3.7705   2.6042   3.7705   2.6042 0.000000 0.000000 
1 1 1   18    0   50 o   8.4078   3.5707   13.817   8.1836   13.817   8.1836   13.817   8.1836   8.4078   3.5707   8.4078   3.5707 -0.000000 0.000000 
1 1 1   18    0   51 o   6.1078   3.4434   7.0326   8.6196   7.0326   8.6196   7.0326   8.6196   6.1078   3.4434   6.1078   3.4434 0.000000 0.000000 
1 1 1   18    0   52 o   7.7360   4.0882   12.414   11.358   12.414   11.358   12.414   11.358   7.7360   4.0882   7.7360   4.0882 0.000000 0.000000 
1 1 1   18    0   53 o   21.134   2.8384   64.927   15.295   64.927   15.295   64.927   15.295   21.134   2.8384   21.134   2.8384 -0.000000 0.000000 
1 1 1   18    0   54 o   32.653   2.0910  147.974   18.166  147.974   18.166  147.974   18.166   32.653   2.0910   32.653   2.0910 -0.000000 0.000000 
1 1 1   18    0   55 o   21.771   2.3203   67.720   13.180   67.720   13.180   67.720   13.180   21.771   2.3203   21.771   2.3203 0.000000 0.000000 
1 1 1   18    0   56 o   7.1811   4.0622   10.988   12.050   10.988   12.050   10.988   12.050   7.1811   4.0622   7.1811   4.0622 -0.000000 0.000000 
1 1 1   18    0   57 o   9.4882   4.6697   20.978   14.206   20.978   14.206   20.978   14.206   9.4882   4.6697   9.4882   4.6697 0.000000 0.000000 
1 1 1   18    0   58 o   10.103   4.4087   22.545   12.433   22.545   12.433   22.545   12.433   10.103   4.4087   10.103   4.4087 -0.000000 0.000000 
1 1 1   18    1  -55 o   6.9645   3.3356 -21.4406   17.810  -6.4376   22.453 -46.9000   29.248   9.2977   4.2043   8.1319   3.9818 1.165812 5.790522 
1 1 1   18    1  -54 o   19.611   3.7940   57.420   19.262   43.631   27.170   71.353   27.311   16.571   5.3557   21.288   4.8808 -4.717007 7.246031 
1 1 1   18    1  -53 o   21.838   1.7703   65.438   10.294   79.989   14.856   51.996   14.278   23.981   2.3360   19.108   2.8708 4.873272 3.701155 
1 1 1   18    1  -52 o   16.858   1.5390   38.859   6.8916   41.012   10.927   37.437   8.8805   17.100   2.4491   16.429   2.0577 0.6712303 3.198791 
1 1 1   18    1  -51 o   10.708   2.5895   16.401   7.3657   15.504   10.315   17.334   10.522   10.535   3.2875   11.047   3.2960 -0.5116100 4.655231 
1 1 1   18    1  -50 o   27.813   1.0951  104.320   8.1807   96.667   10.830  114.490   12.484   26.679   1.5176   29.023   1.6077 -2.343803 2.210858 
1 1 1   18    1  -49 o   16.644   1.4233   37.725   6.3017   38.251   8.9814   37.215   8.8441   16.638   2.0533   16.408   2.0516 0.2301445 2.902627 
1 1 1   18    1  -48 o   30.470   0.8764  125.007   7.1721  123.738   9.9705  126.367   10.325   30.278   1.2260   30.594   1.2564 -0.3162079 1.755484 
1 1 1   18    1  -47 o   50.789   0.8190  347.180   11.173  342.706   16.764  350.756   14.986   50.390   1.2386   51.007   1.0939 -0.6162682 1.652541 
1 1 1   18    1  -46 o   27.651   0.8771  102.927   6.5143  107.828   8.7301   96.768   9.7853   28.278   1.1494   26.731   1.3675 1.546515 1.786375 
1 1 1   18    1  -45 o   45.934   0.8701  283.976   10.735  281.533   18.809  285.156   13.074   45.631   1.5347   46.005   1.0580 -0.3744850 1.864057 
1 1 1   18    1  -44 o   25.836   1.6012   90.591   11.057   91.060   17.516   90.279   14.256   25.695   2.5726   25.700   2.0832 -0.4716873E-02 3.310288 
1 1 1   18    1  -43 o   43.194   1.0953  251.282   12.707  254.998   17.970  247.566   17.970   43.451   1.5398   42.809   1.5629 0.6415939 2.193985 
1 1 1   18    1  -42 o   20.512   1.8523   57.386   10.095   56.993   16.494   57.621   12.765   20.155   3.1500   20.455   2.3671 -0.3006039 3.940278 
1 1 1   18    1  -41 o   38.978   1.1843  204.632   12.399  208.111   16.743  200.408   18.449   39.263   1.5877   38.503   1.7840 0.7598572 2.388180 
1 1 1   18    1  -40 o   14.241   3.0149   28.733   11.173   28.130   17.309   29.164   14.629   14.127   4.2304   14.282   3.7614 -0.1555872 5.660737 
1 1 1   18    1  -39 o   25.478   1.3358   87.703   9.1095   80.629   12.602   95.445   13.183   24.341   1.9437   26.510   1.8634 -2.168190 2.692616 
1 1 1   18    1  -38 o   31.765   1.1583  135.819   9.8819  143.711   14.240  128.487   13.725   32.638   1.6244   30.813   1.6645 1.824938 2.325775 
1 1 1   18    1  -37 o   49.788   1.2355  333.705   16.522  327.682   26.433  337.567   21.166   49.241   1.9986   50.037   1.5749 -0.7969398 2.544561 
1 1 1   18    1  -36 o   62.495   1.0875  525.401   18.255  524.371   23.722  526.896   28.587   62.397   1.4154   62.508   1.7027 -0.1101685 2.214196 
1 1 1   18    1  -35 o   38.635   1.0479  200.733   10.874  208.441   15.351  192.972   15.404   39.344   1.4527   37.852   1.5152 1.492428 2.099094 
1 1 1   18    1  -34 o   8.4326   2.7877   9.1685   7.3432   12.882   10.450   5.5465   10.320   9.9990   3.3266   8.2337   3.2191 1.765237 4.629163 
1 1 1   18    1  -33 o   58.326   0.9724  457.297   15.233  426.401   21.115  490.833   21.999   56.293   1.3965   60.400   1.3560 -4.106956 1.946556 
1 1 1   18    1  -32 o   41.701   0.9840  233.742   11.021  235.905   15.564  231.567   15.608   41.876   1.3838   41.488   1.4007 0.3876877 1.968969 
1 1 1   18    1  -31 o   25.005   1.2118   84.068   8.1386   85.260   11.631   82.925   11.392   25.106   1.7355   24.759   1.7238 0.3466721 2.446141 
1 1 1   18    1  -30 o   51.050   0.9593  350.236   13.153  347.159   18.669  353.269   18.535   50.807   1.3681   51.253   1.3464 -0.4463158 1.919492 
1 1 1   18    1  -29 o   88.248   1.1601  1046.86   27.498  1063.96   36.665  1024.87   41.573   88.934   1.5349   87.260   1.7738 1.673431 2.345728 
1 1 1   18    1  -28 o   48.703   1.3563  318.941   17.742  307.002   24.964  331.126   25.220   47.752   1.9464   49.596   1.8932 -1.844067 2.715290 
1 1 1   18    1  -27 o   65.541   0.9720  577.227   17.110  565.518   24.129  589.070   24.267   64.854   1.3852   66.192   1.3650 -1.337822 1.944701 
1 1 1   18    1  -26 o  108.098   1.2151  1570.55   35.279  1603.66   50.414  1538.77   49.385  109.186   1.7191  106.954   1.7191 2.231682 2.431154 
1 1 1   18    1  -25 o   63.940   0.9550  549.300   16.400  553.315   23.146  545.252   23.242   64.159   1.3431   63.689   1.3587 0.4698715 1.910480 
1 1 1   18    1  -24 o   65.815   0.9687  581.956   17.124  605.602   24.691  560.044   23.768   67.124   1.3695   64.550   1.3709 2.574219 1.937788 
1 1 1   18    1  -23 f  132.948   1.9818  2377.46   70.769  2393.28  100.496  2361.90   99.674  133.283   2.8073  132.407   2.8027 0.8761139 3.966837 
1 1 1   18    1  -22 o  122.442   1.8597  2015.86   61.160  2122.82   88.956  1919.97   84.225  125.569   2.6376  119.421   2.6259 6.148659 3.721799 
1 1 1   18    1  -21 o  112.283   1.2391  1693.96   37.370  1669.02   52.453  1719.66   53.253  111.425   1.7527  113.103   1.7530 -1.677719 2.478865 
1 1 1   18    1  -20 o  106.158   1.1925  1514.09   34.003  1531.16   48.304  1497.31   47.873  106.733   1.6850  105.547   1.6887 1.186516 2.385545 
1 1 1   18    1  -19 o   80.707   1.0253  874.998   22.225  882.139   31.529  867.945   31.334   81.024   1.4488   80.370   1.4515 0.6546173 2.050818 
1 1 1   18    1  -18 o   18.846   1.4712   48.013   7.3879   47.637   10.479   48.385   10.418   18.704   2.1235   18.855   2.0923 -0.1519833 2.981143 
1 1 1   18    1  -17 o   73.475   1.1210  725.208   22.122  746.889   31.515  704.149   31.060   74.555   1.5738   72.390   1.5975 2.165192 2.242516 
1 1 1   18    1  -16 o   50.660   0.9152  344.720   12.453  346.971   17.743  342.534   17.482   50.820   1.2999   50.495   1.2890 0.3258476 1.830619 
1 1 1   18    1  -15 o  160.869   1.6267  3477.24   70.288  3498.29   99.639  3456.38   99.169  161.314   2.2997  160.344   2.3027 0.9693909 3.254336 
1 1 1   18    1  -14 o  390.517   3.7065 20532.62  388.777 20289.59  545.456 20783.57  554.279  387.709   5.2379  392.393   5.2592 -4.683350 7.422585 
1 1 1   18    1  -13 o  122.749   1.8511  2024.70   61.030  1994.20   85.559  2056.29   87.079  121.785   2.6156  123.666   2.6216 -1.881203 3.703312 
1 1 1   18    1  -12 o  225.003   2.1883  6804.29  132.250  6786.37  186.677  6822.35  187.385  224.617   3.0943  225.211   3.0978 -0.5943146 4.378441 
1 1 1   18    1  -11 o  160.944   1.4478  3479.82   62.584  3480.48   88.522  3479.17   88.492  160.932   2.0479  160.902   2.0476 0.3027344E-01 2.896003 
1 1 1   18    1  -10 o   58.339   0.8520  457.116   13.350  467.085   18.657  446.656   19.111   58.969   1.1780   57.664   1.2339 1.304577 1.705948 
1 1 1   18    1   -9 o  167.887   1.6704  3786.85   75.324  3740.74  105.739  3834.36  107.327  166.828   2.3598  168.902   2.3658 -2.074356 3.341535 
1 1 1   18    1   -8 f   55.943   0.8546  420.337   12.841  400.812   16.107  454.389   21.272   54.626   1.0978   58.160   1.3617 -3.533817 1.749135 
1 1 1   18    1   -7 o  241.617   1.9037  7844.06  123.543  7705.18  172.786  7989.32  176.711  239.408   2.6871  243.781   2.6988 -4.373276 3.808395 
1 1 1   18    1   -6 o  118.303   1.0258  1879.81   32.594  1889.38   46.217  1870.34   45.975  118.594   1.4509  117.996   1.4507 0.5988770 2.051721 
1 1 1   18    1   -5 o  185.979   1.6408  4646.75   81.961  4676.19  116.344  4617.75  115.481  186.533   2.3222  185.363   2.3195 1.169205 3.282165 
1 1 1   18    1   -4 o  114.250   1.0957  1753.26   33.624  1773.96   47.795  1732.97   47.311  114.913   1.5485  113.578   1.5509 1.335548 2.191616 
1 1 1   18    1   -3 f  144.807   1.2044  2816.59   46.842  2858.33   66.804  2776.22   65.699  145.861   1.7052  143.751   1.7016 2.110306 2.408958 
1 1 1   18    1   -2 o  228.982   1.8103  7044.54  111.336  7055.88  157.619  7033.25  157.286  229.116   2.5613  228.748   2.5600 0.3675232 3.621320 
1 1 1   18    1   -1 f  156.094   1.3407  3272.94   56.208  3251.91   83.070  3290.69   76.337  155.569   1.9881  156.501   1.8160 -0.9318390 2.692646 
1 1 1   18    1    0 o  128.809   1.0958  2228.57   37.912  2220.48   53.494  2236.73   53.739  128.565   1.5491  129.035   1.5506 -0.4694214 2.191807 
1 1 1   18    1    1 f  133.353   1.3007  2388.72   46.587  2383.33   62.406  2395.50   70.018  133.190   1.7445  133.523   1.9524 -0.3329773 2.618174 
1 1 1   18    1    2 o   59.008   0.9197  467.664   14.577  432.973   21.937  495.090   19.506   56.773   1.4386   60.711   1.1962 -3.938629 1.870970 
1 1 1   18    1    3 f   90.757   0.9354  1106.30   22.802  1098.17   29.383  1118.61   36.153   90.419   1.2099   91.253   1.4750 -0.8330536 1.907776 
1 1 1   18    1    4 o   76.922   1.0148  794.730   20.967  785.631   27.720  806.895   32.052   76.476   1.3495   77.501   1.5398 -1.025162 2.047455 
1 1 1   18    1    5 o   81.630   1.0536  895.009   23.101  914.604   31.085  870.839   34.524   82.514   1.4026   80.512   1.5965 2.001625 2.125124 
1 1 1   18    1    6 o  173.457   1.5428  4041.94   71.879  4030.14  101.455  4053.83  101.851  173.175   2.1812  173.683   2.1833 -0.5080109 3.086183 
1 1 1   18    1    7 o  214.135   1.8652  6161.00  107.279  6169.05  151.811  6152.96  151.619  214.222   2.6384  213.943   2.6385 0.2794495 3.731393 
1 1 1   18    1    8 f  299.702   2.7000 12075.36  217.339 12059.79  291.105 12094.97  326.694  299.383   3.6202  299.747   4.0578 -0.3636475 5.437984 
1 1 1   18    1    9 o  129.047   1.5499  2237.23   53.722  2226.15   75.802  2248.40   76.149  128.704   2.1928  129.346   2.1919 -0.6416473 3.100448 
1 1 1   18    1   10 o   53.316   0.9665  381.809   13.841  370.823   19.296  393.454   19.866   52.540   1.3673   54.119   1.3667 -1.579487 1.933219 
1 1 1   18    1   11 o  295.222   2.5248 11716.56  200.202 11691.87  282.807 11741.36  283.451  294.761   3.5721  295.384   3.5727 -0.6231079 5.052165 
1 1 1   18    1   12 o  184.156   1.6289  4556.45   80.570  4557.74  113.967  4555.16  113.919  184.142   2.3043  184.090   2.3040 0.5204773E-01 3.258506 
1 1 1   18    1   13 o  214.549   1.7841  6185.25  102.813  6182.76  139.164  6188.24  152.555  214.456   2.4160  214.529   2.6476 -0.7312012E-01 3.584232 
1 1 1   18    1   14 o  101.650   1.0726  1387.94   29.283  1418.09   39.809  1352.38   43.228  102.740   1.4426  100.326   1.6042 2.413315 2.157440 
1 1 1   18    1   15 o   84.730   0.9725  964.312   22.131  982.749   29.837  941.762   32.998   85.530   1.2988   83.724   1.4674 1.806404 1.959627 
1 1 1   18    1   16 o   90.863   1.0565  1109.01   25.783  1119.78   32.797  1091.58   41.716   91.296   1.3375   90.128   1.7233 1.168053 2.181398 
1 1 1   18    1   17 o   68.547   0.8384  631.112   15.437  635.725   20.000  624.314   24.278   68.793   1.0824   68.169   1.3260 0.6247253 1.711688 
1 1 1   18    1   18 o  121.501   1.1054  1983.13   36.073  1953.76   48.421  2019.77   54.077  120.583   1.4951  122.596   1.6423 -2.013184 2.220859 
1 1 1   18    1   19 o   50.529   0.7547  342.936   10.243  338.900   13.904  347.726   15.147   50.228   1.0306   50.876   1.1084 -0.6486893 1.513519 
1 1 1   18    1   20 o   98.026   0.9545  1290.80   25.130  1285.23   33.991  1297.51   37.320   97.803   1.2939   98.265   1.4140 -0.4614258 1.916708 
1 1 1   18    1   21 o   73.080   0.7872  717.381   15.451  693.480   21.490  742.958   22.231   71.845   1.1137   74.364   1.1130 -2.518860 1.574508 
1 1 1   18    1   22 o  125.848   1.0886  2127.84   36.796  2132.87   52.098  2122.84   51.976  125.970   1.5398  125.673   1.5398 0.2964630 2.177606 
1 1 1   18    1   23 f   76.588   0.8407  787.975   17.294  807.287   23.617  765.644   25.396   77.512   1.1344   75.482   1.2527 2.029961 1.689959 
1 1 1   18    1   24 o   35.231   0.9005  166.753   8.5215  170.924   11.270  161.185   13.021   35.664   1.1765   34.629   1.4000 1.035439 1.828700 
1 1 1   18    1   25 o  119.350   1.0964  1914.12   35.145  1890.24   47.204  1943.82   52.646  118.573   1.4822  120.228   1.6303 -1.654739 2.203339 
1 1 1   18    1   26 o   39.909   0.7751  213.965   8.3083  213.627   11.191  214.382   12.401   39.872   1.0450   39.939   1.1560 -0.6765747E-01 1.558337 
1 1 1   18    1   27 o   47.342   0.8199  301.122   10.426  297.430   14.793  304.765   14.696   47.041   1.1708   47.619   1.1490 -0.5772820 1.640406 
1 1 1   18    1   28 o   48.117   0.7711  311.053   9.9662  312.333   14.927  310.024   13.387   48.204   1.1529   48.030   1.0377 0.1744919 1.551152 
1 1 1   18    1   29 o   92.383   1.0186  1147.02   25.276  1139.53   37.849  1153.06   33.958   92.038   1.5310   92.599   1.3654 -0.5604782 2.051415 
1 1 1   18    1   30 o  125.619   1.1449  2121.32   38.629  2143.13   57.673  2103.58   52.023  126.187   1.7016  125.040   1.5490 1.146164 2.301076 
1 1 1   18    1   31 o  136.966   1.2239  2522.47   45.024  2502.57   66.550  2539.27   61.139  136.323   1.8176  137.351   1.6573 -1.027374 2.459694 
1 1 1   18    1   32 o   71.424   0.8007  685.488   15.361  672.110   21.516  699.396   21.938   70.703   1.1330   72.124   1.1325 -1.420944 1.601937 
1 1 1   18    1   33 o   51.088   0.7584  350.717   10.407  369.375   14.941  333.135   14.503   52.415   1.0613   49.776   1.0848 2.638912 1.517579 
1 1 1   18    1   34 o  108.459   0.9946  1581.52   28.973  1558.72   40.662  1605.04   41.295  107.615   1.4068  109.202   1.4079 -1.587158 1.990278 
1 1 1   18    1   35 o   29.975   0.8722  120.785   7.0221  124.736   9.9582  116.877   9.9034   30.448   1.2177   29.472   1.2511 0.9763260 1.745847 
1 1 1   18    1   36 o   17.571   1.3799   41.828   6.4596   52.968   9.2639   31.286   9.0118   19.738   1.7661   15.037   2.3048 4.701385 2.903678 
1 1 1   18    1   37 o   34.153   0.8501  156.827   7.7978  158.517   11.044  155.148   11.012   34.317   1.1982   33.950   1.2076 0.3672905 1.701145 
1 1 1   18    1   38 o   68.583   0.8570  632.474   15.787  628.225   23.588  635.921   21.246   68.298   1.2859   68.734   1.1509 -0.4365692 1.725678 
1 1 1   18    1   39 o   24.762   1.0571   82.514   7.0305   72.355   9.8524   93.053   10.036   23.102   1.5976   26.235   1.4296 -3.132114 2.143845 
1 1 1   18    1   40 o   18.664   1.2609   47.140   6.2839   41.574   8.6660   53.311   9.1252   17.435   1.8803   19.791   1.7341 -2.356075 2.557889 
1 1 1   18    1   41 o   55.553   0.8566  415.091   12.781  420.824   17.063  407.762   19.292   55.903   1.1364   55.005   1.3058 0.8980446 1.731037 
1 1 1   18    1   42 o   25.406   1.0615   86.899   7.2434   92.403   10.084   81.031   10.411   26.131   1.4423   24.443   1.5945 1.687584 2.150079 
1 1 1   18    1   43 o   62.809   0.9218  530.874   15.551  534.605   19.624  524.574   25.499   62.992   1.1599   62.325   1.5232 0.6667595 1.914557 
1 1 1   18    1   44 o   69.705   0.9181  653.962   17.188  677.661   24.126  629.535   24.494   70.886   1.2672   68.306   1.3351 2.579269 1.840704 
1 1 1   18    1   45 o   22.924   1.5324   71.361   9.3806   62.556   14.175   78.222   12.512   21.244   2.5342   23.923   1.9647 -2.679010 3.206576 
1 1 1   18    1   46 o   55.779   0.8927  418.868   13.375  415.387   19.978  421.695   18.006   55.461   1.3411   55.911   1.1990 -0.4506950 1.798929 
1 1 1   18    1   47 o   23.400   1.2212   74.092   7.6486   66.539   11.394   80.287   10.319   22.041   1.9445   24.300   1.5898 -2.258850 2.511717 
1 1 1   18    1   48 o   9.0875   2.5208   11.667   6.3684   11.976   9.0019   11.358   9.0108   9.4402   3.0849   9.2684   3.0892 0.1718502 4.365777 
1 1 1   18    1   49 o   18.558   1.3608   46.786   6.7357   35.756   8.9215   61.410   10.272   16.063   2.1196   21.190   1.8226 -5.126724 2.795487 
1 1 1   18    1   50 o   29.669   0.9983  118.626   7.9555  113.800   10.467  125.228   12.242   29.018   1.3430   30.417   1.4984 -1.398771 2.012172 
1 1 1   18    1   51 o   7.3344   2.5496   6.6965   6.1491   9.1352   9.1532   4.6907   8.3013   8.6796   3.1026   7.3659   2.8851 1.313684 4.236697 
1 1 1   18    1   52 o   11.308   2.5116   18.287   7.4296   26.770   11.132   11.473   9.9768   13.588   3.1165   9.4074   3.2489 4.180303 4.502045 
1 1 1   18    1   53 o   25.797   1.4366   90.548   9.9142   92.131   12.790   88.166   15.692   25.913   1.8499   25.183   2.3470 0.7290802 2.988372 
1 1 1   18    1   54 o   21.603   1.8395   64.337   10.572   53.066   13.809   80.299   16.434   19.297   2.7414   23.863   2.6064 -4.566483 3.782640 
1 1 1   18    1   55 o   30.584   1.3945  127.269   11.455  118.179   17.541  134.030   15.127   29.085   2.2631   31.197   1.8131 -2.111219 2.899859 
1 1 1   18    1   56 o   17.799   2.1892   44.728   10.245   25.829   12.602   81.571   17.595   13.015   3.5200   23.785   2.8085 -10.76950 4.503105 
1 1 1   18    1   57 o   13.279   2.6036   25.865   8.9539   19.322   12.682   32.367   12.643   11.309   3.6595   14.571   3.3063 -3.262757 4.931904 
1 1 1   18    2  -55 o   17.615   4.5062   49.565   21.406   23.020   30.214   76.320   30.333   13.473   5.4288   21.355   5.3106 -7.881908 7.594380 
1 1 1   18    2  -54 o   32.982   2.3388  151.831   20.584  169.744   30.553  136.941   27.855   34.213   3.3685   30.653   3.4429 3.559990 4.816669 
1 1 1   18    2  -53 o   9.2804   3.3491   10.713   10.691   28.693   16.071  -3.5645   14.320   13.831   4.0600   7.7277   3.4361 6.103034 5.318886 
1 1 1   18    2  -52 o   18.941   1.9401   49.496   9.7305   33.807   13.738   65.289   13.784   15.180   3.4481   21.638   2.4128 -6.457900 4.208446 
1 1 1   18    2  -51 o   21.336   1.1635   61.652   6.6428   74.685   10.067   51.602   8.8404   23.406   1.6112   19.414   1.7129 3.991497 2.351622 
1 1 1   18    2  -50 o   25.412   1.1300   87.130   7.7125   99.905   13.998   81.562   9.2419   27.021   1.9417   24.515   1.4095 2.506104 2.399339 
1 1 1   18    2  -49 o   30.443   1.1077  124.995   9.0574  117.561   15.039  129.226   11.346   29.339   1.9190   30.920   1.3662 -1.580914 2.355667 
1 1 1   18    2  -48 o   34.269   1.4649  158.870   13.483  156.809   23.626  159.865   16.420   33.678   2.6328   34.269   1.7901 -0.5913582 3.183778 
1 1 1   18    2  -47 o   31.565   1.2924  134.557   10.957  117.084   15.297  152.972   15.703   29.276   1.9566   33.533   1.7496 -4.257605 2.624779 
1 1 1   18    2  -46 o   19.406   2.8515   52.919   14.420   31.252   28.801   60.167   16.658   15.300   5.4998   20.639   3.1007 -5.339311 6.313677 
1 1 1   18    2  -45 o   13.496   2.6696   25.822   9.3341   20.815   12.963   31.215   13.452   12.129   3.6674   14.696   3.4644 -2.567497 5.045013 
1 1 1   18    2  -44 o   52.583   1.0571  372.494   14.929  374.832   20.990  370.099   21.239   52.667   1.4838   52.327   1.5112 0.3396111 2.117874 
1 1 1   18    2  -43 o   11.470   2.7766   18.725   8.4624   14.635   11.754   23.126   12.193   10.541   3.5285   12.718   3.4721 -2.177176 4.950282 
1 1 1   18    2  -42 o   37.336   1.1288  187.771   11.320  194.048   16.111  181.650   15.908   37.900   1.5827   36.665   1.6154 1.235233 2.261519 
1 1 1   18    2  -41 o   72.582   1.1560  709.580   22.536  733.337   35.490  693.528   29.172   73.635   1.7944   71.681   1.5152 1.953979 2.348603 
1 1 1   18    2  -40 o   83.377   1.2892  936.804   28.872  923.504   35.130  964.484   50.679   82.712   1.5813   84.310   2.2380 -1.597832 2.740264 
1 1 1   18    2  -39 o   51.137   1.1932  352.169   16.388  365.311   29.340  346.209   19.757   51.931   2.1035   50.669   1.4518 1.261566 2.555862 
1 1 1   18    2  -38 o   30.585   1.1963  125.962   9.8274  121.973   13.988  129.849   13.810   30.003   1.7433   30.971   1.6662 -0.9682560 2.411544 
1 1 1   18    2  -37 o   52.202   1.0141  366.615   14.219  358.686   20.022  374.682   20.196   51.588   1.4450   52.728   1.4261 -1.140198 2.030171 
1 1 1   18    2  -36 o   91.227   1.4077  1121.12   34.492  1118.68   54.801  1122.72   44.388   90.911   2.2443   91.199   1.8121 -0.2881470 2.884536 
1 1 1   18    2  -35 o   22.849   1.5234   70.652   9.2955   59.742   11.694   89.380   15.321   20.922   2.1097   25.611   2.2501 -4.688656 3.084465 
1 1 1   18    2  -34 o   30.915   1.1530  128.568   9.5741  102.923   13.382  155.457   13.703   27.568   1.8175   33.975   1.5016 -6.407557 2.357591 
1 1 1   18    2  -33 o   66.485   0.9942  594.270   17.754  595.446   25.070  593.088   25.145   66.515   1.4033   66.382   1.4103 0.1325684 1.989512 
1 1 1   18    2  -32 o   67.317   0.9973  609.176   18.032  612.958   25.671  605.494   25.333   67.492   1.4161   67.081   1.4061 0.4112701 1.995586 
1 1 1   18    2  -31 o   30.966   1.1087  128.915   9.2208  130.076   12.923  127.711   13.161   31.088   1.5476   30.761   1.5984 0.3273754 2.224887 
1 1 1   18    2  -30 o   63.306   0.9756  538.642   16.588  520.799   23.155  557.456   23.776   62.224   1.3854   64.377   1.3750 -2.153362 1.951972 
1 1 1   18    2  -29 o   33.049   1.0672  146.809   9.4728  152.146   13.222  141.180   13.578   33.631   1.4638   32.393   1.5606 1.238327 2.139651 
1 1 1   18    2  -28 o   13.246   2.2760   24.314   7.8055   11.268   10.429   40.928   11.769   9.6056   3.3215   17.221   2.6277 -7.614953 4.235277 
1 1 1   18    2  -27 o   22.451   1.8781   68.323   11.221   76.363   15.716   59.961   16.027   23.664   2.5110   20.868   2.9410 2.796286 3.867144 
1 1 1   18    2  -26 o   16.601   1.6716   37.447   7.3520   44.631   10.331   30.077   10.465   18.075   2.1716   14.695   2.7525 3.379671 3.505960 
1 1 1   18    2  -25 o   93.074   1.1098  1164.19   27.743  1183.88   39.477  1144.98   38.996   93.826   1.5665   92.271   1.5735 1.555084 2.220330 
1 1 1   18    2  -24 o  102.416   1.1723  1409.64   32.247  1434.43   46.057  1385.80   45.165  103.276   1.6604  101.511   1.6565 1.765221 2.345391 
1 1 1   18    2  -23 o  111.896   1.2404  1682.66   37.280  1637.89   52.008  1729.97   53.467  110.358   1.7546  113.417   1.7552 -3.059639 2.481767 
1 1 1   18    2  -22 o   98.514   1.6148  1304.76   42.728  1313.37   60.565  1296.23   60.288   98.785   2.2826   98.138   2.2872 0.6471481 3.231347 
1 1 1   18    2  -21 o  144.845   2.1170  2822.23   82.359  2899.35  118.401  2749.92  114.638  146.687   3.0052  142.859   2.9876 3.827240 4.237586 
1 1 1   18    2  -20 o   70.259   1.0457  663.165   19.734  656.445   29.975  668.306   26.217   69.885   1.5969   70.521   1.3841 -0.6360779 2.113275 
1 1 1   18    2  -19 o  153.927   1.5718  3184.34   64.984  3206.84   92.258  3162.18   91.547  154.411   2.2245  153.333   2.2229 1.078979 3.144783 
1 1 1   18    2  -18 o   69.368   1.1049  646.436   20.586  637.455   25.211  664.402   35.658   68.878   1.3628   70.302   1.8884 -1.423973 2.328794 
1 1 1   18    2  -17 o   74.512   0.9893  745.803   19.800  752.973   28.216  738.847   27.792   74.860   1.4033   74.154   1.3953 0.7052841 1.978952 
1 1 1   18    2  -16 o  162.516   1.6427  3549.22   71.702  3487.70  100.376  3613.32  102.461  161.049   2.3205  163.923   2.3272 -2.874146 3.286378 
1 1 1   18    2  -15 o  138.711   1.4414  2585.14   53.702  2595.77   76.123  2574.61   75.771  138.963   2.0395  138.396   2.0384 0.5673218 2.883494 
1 1 1   18    2  -14 o  123.964   1.3221  2064.47   44.020  2071.78   62.349  2057.21   62.160  124.160   1.8696  123.723   1.8706 0.4375000 2.644709 
1 1 1   18    2  -13 o  179.382   1.7856  4324.06   86.031  4340.86  121.832  4307.35  121.502  179.673   2.5246  178.978   2.5275 0.6950073 3.572350 
1 1 1   18    2  -12 o  213.049   1.9619  6100.09  112.265  6207.53  152.141  5971.66  166.341  214.855   2.6364  210.700   2.9393 4.154770 3.948410 
1 1 1   18    2  -11 o   42.845   0.6648  246.549   7.6505  247.919   10.850  245.195   10.789   42.962   0.9403   42.726   0.9402 0.2365990 1.329669 
1 1 1   18    2  -10 o   94.311   0.8745  1194.65   22.153  1151.30   30.795  1241.15   31.891   92.578   1.2385   96.122   1.2353 -3.544754 1.749193 
1 1 1   18    2   -9 o  171.397   1.5242  3946.72   70.168  3819.31  108.661  4037.84   91.897  168.560   2.4001  173.342   1.9738 -4.781830 3.107463 
1 1 1   18    2   -8 o  221.001   1.9189  6563.08  113.903  6606.15  180.676  6534.68  146.736  221.627   3.0352  220.479   2.4779 1.147995 3.918169 
1 1 1   18    2   -7 o   93.397   0.9527  1171.62   23.898  1161.90   30.817  1186.29   37.853   93.004   1.2337   93.970   1.4998 -0.9660339 1.941954 
1 1 1   18    2   -6 o  169.568   1.5934  3862.96   72.572  3944.95   98.679  3766.38  107.103  171.332   2.1444  167.395   2.3821 3.936401 3.205127 
1 1 1   18    2   -5 o  112.868   1.2158  1711.20   36.856  1697.91   46.439  1733.82   60.581  112.422   1.5380  113.591   1.9856 -1.169067 2.511587 
1 1 1   18    2   -4 o  136.628   1.1999  2507.47   44.033  2501.38   59.621  2514.78   65.313  136.450   1.6268  136.810   1.7774 -0.3598938 2.409501 
1 1 1   18    2   -3 o  110.893   1.0227  1651.73   30.462  1628.99   40.977  1679.83   45.544  110.120   1.3854  111.822   1.5164 -1.702118 2.053983 
1 1 1   18    2   -2 o  168.145   1.3699  3797.94   61.867  3788.85   87.363  3807.09   87.626  167.921   1.9370  168.324   1.9382 -0.4035034 2.740157 
1 1 1   18    2   -1 f   65.276   0.8372  572.289   14.678  589.839   22.139  558.526   19.606   66.265   1.2439   64.484   1.1320 1.781715 1.681864 
1 1 1   18    2    0 o   75.829   0.8503  772.289   17.319  787.134   24.730  757.999   24.262   76.551   1.2028   75.120   1.2025 1.430069 1.700783 
1 1 1   18    2    1 f   68.567   0.8588  631.449   15.817  643.522   21.428  616.998   23.444   69.216   1.1526   67.773   1.2879 1.443031 1.728343 
1 1 1   18    2    2 o  147.547   1.4151  2924.48   56.081  2889.03   74.754  2970.11   84.817  146.633   1.8981  148.667   2.1241 -2.033386 2.848600 
1 1 1   18    2    3 o   71.085   1.0738  678.728   20.501  715.972   29.768  645.126   28.275   73.004   1.5182   69.298   1.5191 3.705978 2.147688 
1 1 1   18    2    4 o   29.483   0.8113  116.751   6.4246  120.202   8.4776  112.095   9.8468   29.915   1.0551   28.888   1.2691 1.027454 1.650407 
1 1 1   18    2    5 o  323.652   2.7576 14083.55  239.717 14011.72  308.483 14193.04  380.866  322.703   3.5591  324.629   4.3681 -1.925720 5.634475 
1 1 1   18    2    6 o   78.403   0.9166  825.630   19.303  828.754   26.059  821.832   28.733   78.547   1.2352   78.217   1.3677 0.3307648 1.842906 
1 1 1   18    2    7 o  139.428   1.2226  2611.36   45.787  2619.41   62.102  2601.77   67.775  139.630   1.6559  139.153   1.8134 0.4767761 2.455677 
1 1 1   18    2    8 o  205.600   1.7975  5679.81   99.265  5725.68  141.025  5634.77  139.747  206.375   2.5442  204.731   2.5414 1.644653 3.596020 
1 1 1   18    2    9 o   97.799   1.2841  1284.84   33.731  1328.55   41.977  1205.19   56.669   99.442   1.5716   94.693   2.2281 4.748802 2.726629 
1 1 1   18    2   10 o  129.111   1.3513  2239.37   46.860  2229.66   66.107  2249.18   66.433  128.811   1.9107  129.373   1.9118 -0.5624237 2.702958 
1 1 1   18    2   11 o   38.166   0.8805  195.645   9.0264  196.283   11.373  194.559   14.837   38.226   1.1077   38.055   1.4516 0.1712303 1.825971 
1 1 1   18    2   12 o  187.862   1.5822  4741.83   79.837  4766.13  108.381  4712.99  118.050  188.306   2.1429  187.238   2.3474 1.068741 3.178361 
1 1 1   18    2   13 o  318.452   2.5904 13637.24  221.568 13605.83  299.468 13675.23  329.349  317.910   3.5071  318.641   3.8482 -0.7310181 5.206637 
1 1 1   18    2   14 o  138.547   1.2224  2578.66   45.487  2617.79   62.026  2533.13   66.909  139.576   1.6545  137.293   1.8145 2.283401 2.455533 
1 1 1   18    2   15 o   60.265   0.8378  487.814   13.562  497.115   18.264  476.384   20.247   60.833   1.1178   59.548   1.2659 1.284309 1.688805 
1 1 1   18    2   16 o  195.197   1.6405  5120.24   86.007  5165.52  117.003  5067.01  126.860  196.006   2.2225  194.105   2.4333 1.900665 3.295498 
1 1 1   18    2   17 o  127.676   1.4338  2190.35   49.170  2164.35   64.445  2226.57   76.065  126.892   1.8909  128.682   2.2008 -1.789894 2.901524 
1 1 1   18    2   18 o   31.374   0.9106  132.224   7.6733  139.563   9.6365  119.508   12.684   32.231   1.1131   29.778   1.5917 2.453371 1.942291 
1 1 1   18    2   19 o   89.994   0.9537  1087.96   23.054  1075.74   29.567  1106.90   36.818   89.479   1.2302   90.755   1.5104 -1.275589 1.948053 
1 1 1   18    2   20 o   89.175   0.9477  1068.26   22.698  1071.69   29.290  1063.09   35.911   89.309   1.2211   88.938   1.5033 0.3707352 1.936721 
1 1 1   18    2   21 o   73.889   0.9057  733.413   17.973  745.567   22.291  710.829   30.386   74.492   1.1141   72.720   1.5557 1.772034 1.913495 
1 1 1   18    2   22 o   80.556   0.8617  871.752   18.645  853.146   24.868  895.642   28.178   79.682   1.1620   81.637   1.2851 -1.955269 1.732508 
1 1 1   18    2   23 o   51.233   0.8374  352.618   11.523  362.901   17.010  343.895   15.666   51.965   1.2187   50.588   1.1530 1.377289 1.677670 
1 1 1   18    2   24 o   27.165   0.9887   99.151   7.2139  107.273   9.6160   88.695   10.910   28.251   1.2673   25.633   1.5925 2.617939 2.035199 
1 1 1   18    2   25 o  140.998   1.1925  2672.00   45.161  2656.02   63.613  2688.23   64.125  140.519   1.6855  141.368   1.6888 -0.8490601 2.385967 
1 1 1   18    2   26 o  101.779   0.9414  1391.94   25.734  1406.38   36.536  1377.71   36.253  102.278   1.3300  101.230   1.3334 1.047874 1.883267 
1 1 1   18    2   27 o   9.4117   1.9931   12.380   4.8815   9.8898   6.8589   14.936   6.9490   8.5974   2.6804   10.320   2.5272 -1.722430 3.683924 
1 1 1   18    2   28 o  115.119   1.1169  1781.34   34.534  1794.18   49.021  1768.69   48.658  115.481   1.5804  114.658   1.5800 0.8232040 2.234757 
1 1 1   18    2   29 o   95.365   0.9512  1222.21   24.363  1208.26   35.906  1234.11   33.167   94.780   1.4105   95.800   1.2890 -1.020554 1.910724 
1 1 1   18    2   30 o   49.855   0.7808  333.967   10.455  326.253   15.433  340.510   14.214   49.261   1.1664   50.331   1.0515 -1.070198 1.570403 
1 1 1   18    2   31 o   42.786   0.8015  245.993   9.2106  254.848   13.748  238.781   12.407   43.535   1.1757   42.144   1.0960 1.391232 1.607361 
1 1 1   18    2   32 o   44.301   0.8015  263.737   9.5364  265.974   14.122  261.861   12.930   44.472   1.1822   44.131   1.0908 0.3406143 1.608612 
1 1 1   18    2   33 o   52.804   0.8072  374.722   11.448  368.674   15.358  382.286   17.175   52.361   1.0920   53.311   1.1994 -0.9506035 1.622089 
1 1 1   18    2   34 o   64.857   0.7916  565.354   13.790  574.850   19.524  555.900   19.479   65.375   1.1119   64.287   1.1281 1.088013 1.583965 
1 1 1   18    2   35 o   46.475   0.9123  290.407   11.388  287.331   17.474  292.678   15.015   46.191   1.4085   46.636   1.1987 -0.4456863 1.849516 
1 1 1   18    2   36 o   44.068   0.8627  261.101   10.211  268.358   16.058  256.175   13.231   44.639   1.3394   43.632   1.1290 1.007381 1.751706 
1 1 1   18    2   37 o   27.994   0.9380  105.398   7.0525  111.324   10.098   99.755   9.8543   28.749   1.3077   27.212   1.3483 1.537363 1.878267 
1 1 1   18    2   38 o   19.561   1.1919   51.711   6.2322   42.815   8.7043   61.068   8.9274   17.703   1.8583   21.218   1.5778 -3.514296 2.437756 
1 1 1   18    2   39 o   37.126   0.8814  185.392   8.7891  191.159   12.373  179.517   12.487   37.673   1.2228   36.503   1.2736 1.169796 1.765595 
1 1 1   18    2   40 o   25.045   1.0324   84.424   6.9446   84.568   9.6209   84.269   10.035   25.000   1.4389   24.947   1.5046 0.5309868E-01 2.081914 
1 1 1   18    2   41 o   29.097   1.0890  113.997   8.5108  108.864   11.819  119.526   12.266   28.354   1.5579   29.716   1.5421 -1.362381 2.192050 
1 1 1   18    2   42 o   36.124   0.9797  175.650   9.5056  177.020   11.969  173.311   15.642   36.241   1.2296   35.812   1.6262 0.4296646 2.038764 
1 1 1   18    2   43 o   14.976   1.6761   30.710   6.6266   44.241   8.6745   11.747   10.269   17.984   1.8210   9.6041   3.2973 8.379600 3.766735 
1 1 1   18    2   44 o   25.461   1.2130   87.420   8.2954   90.308   11.440   84.217   12.046   25.779   1.6611   24.862   1.8166 0.9172916 2.461538 
1 1 1   18    2   45 o   28.755   1.0861  111.442   8.3883  109.789   10.919  113.824   13.104   28.467   1.4326   28.937   1.6934 -0.4701405 2.218064 
1 1 1   18    2   46 o   36.298   0.9210  177.428   8.9795  162.680   12.557  192.860   12.845   34.702   1.3473   37.797   1.2653 -3.095192 1.848256 
1 1 1   18    2   47 o   50.892   0.9695  348.925   13.253  337.999   19.901  357.632   17.765   49.983   1.4824   51.461   1.2853 -1.478172 1.961969 
1 1 1   18    2   48 o   43.091   0.9364  250.117   10.837  254.438   15.812  246.289   14.883   43.391   1.3567   42.701   1.2976 0.6890793 1.877386 
1 1 1   18    2   49 o   17.740   1.5681   42.952   7.3950   52.542   10.591   33.829   10.330   19.535   2.0491   15.502   2.5711 4.033218 3.287729 
1 1 1   18    2   50 o   7.2158   2.6090   6.0413   6.4927   1.4632   8.6577   11.925   9.8151   6.7853   2.8377   9.5261   3.2241 -2.740836 4.295080 
1 1 1   18    2   51 o   15.172   2.0488   31.976   8.1353   37.979   11.267   25.437   11.759   16.395   2.6490   13.220   3.3169 3.174662 4.244915 
1 1 1   18    2   52 o   25.853   1.3647   90.777   9.4427   94.819   13.421   86.815   13.288   26.284   1.9142   25.124   1.9853 1.160282 2.757837 
1 1 1   18    2   53 o   10.962   2.7405   17.427   8.0474   14.277   12.557   19.623   10.483   10.381   3.6415   11.584   3.2417 -1.202879 4.875340 
1 1 1   18    2   54 o   25.828   1.3618   90.881   9.4137   80.391   13.588  100.563   13.054   24.038   2.1264   27.029   1.8086 -2.990335 2.791553 
1 1 1   18    2   55 o   5.7506   2.6188  -4.7107   8.9025  -8.9846   11.545   1.5596   13.983   6.1656   2.8697   8.2250   3.5294 -2.059382 4.548791 
1 1 1   18    2   56 o   7.7485   2.9476   6.6993   8.4859   17.477   12.000  -4.0800   12.001   10.873   3.5622   6.8569   3.0896 4.016541 4.715415 
1 1 1   18    2   57 o   7.3290   2.9638   4.4407   9.0406   0.3835   11.889   10.004   13.922   7.3929   3.2134   9.4304   3.7229 -2.037455 4.917933 
1 1 1   18    3  -54 o   5.2763   2.6350 -38.4439   15.314   0.0000   0.0000 -38.4439   15.314  ?   ?    5.2763   2.6350 0.000000 2.634965 
1 1 1   18    3  -53 o   16.761   3.5397   41.824   15.436   51.930   37.292   39.735   16.956   17.726   6.2702   16.171   3.9402 1.555027 7.405434 
1 1 1   18    3  -52 o   25.455   1.9317   89.152   13.108  101.215   19.034   78.269   18.079   26.850   2.6749   23.476   2.9312 3.373953 3.968261 
1 1 1   18    3  -51 o   6.7516   2.8313   1.3989   8.6540   14.937   12.571 -10.7970   11.931   10.599   3.6477   6.1844   2.8914 4.414721 4.654657 
1 1 1   18    3  -50 o   17.955   2.0536   44.557   9.7256   51.193   13.457   37.301   14.071   19.080   2.7015   16.036   3.3738 3.043320 4.322088 
1 1 1   18    3  -49 o   26.704   1.7149   97.179   12.235   97.304   19.691   97.101   15.615   26.400   2.8206   26.567   2.2084 -0.1670971 3.582309 
1 1 1   18    3  -48 o   10.931   3.0013   17.082   9.0803   16.144   12.672   18.072   13.018   10.952   3.6636   11.440   3.7082 -0.4881868 5.212780 
1 1 1   18    3  -47 o   45.722   1.3737  282.594   16.870  260.923   28.642  294.106   20.875   43.557   2.4582   46.572   1.6689 -3.014645 2.971194 
1 1 1   18    3  -46 o   36.425   1.3730  179.318   13.433  187.243   23.289  175.367   16.444   36.921   2.3608   35.960   1.7025 0.9614372 2.910688 
1 1 1   18    3  -45 o   26.458   1.4342   94.909   10.154  109.454   14.273   80.008   14.447   28.324   1.8870   24.109   2.2574 4.215519 2.942212 
1 1 1   18    3  -44 o   15.212   2.1341   32.094   8.4794   33.797   11.962   30.374   12.022   15.408   2.9983   14.553   3.1658 0.8552589 4.360259 
1 1 1   18    3  -43 o   34.896   1.1925  164.185   11.177  155.025   15.626  173.781   15.994   33.792   1.7274   35.835   1.6617 -2.042316 2.396913 
1 1 1   18    3  -42 f   34.012   1.1834  155.913   10.810  154.557   15.227  157.291   15.350   33.803   1.6771   34.101   1.6759 -0.2978935 2.370965 
1 1 1   18    3  -41 o   32.542   1.2059  142.704   10.540  138.613   15.033  146.658   14.782   31.963   1.7579   32.895   1.6786 -0.9316540 2.430602 
1 1 1   18    3  -40 o   27.450   1.5736  102.074   11.554   94.765   17.237  108.037   15.569   26.277   2.4714   28.156   2.0733 -1.879642 3.225859 
1 1 1   18    3  -39 o   7.5905   2.9879   4.5942   8.9435   7.7298   10.593  -3.1906   16.690   8.7372   3.3006   8.6158   3.7748 0.1214342 5.014245 
1 1 1   18    3  -38 o   22.350   1.7331   67.881   10.323   65.196   18.459   69.102   12.451   21.574   3.2897   22.494   2.0846 -0.9195919 3.894565 
1 1 1   18    3  -37 o   74.527   1.0527  747.456   21.073  756.327   30.012  738.830   29.596   74.891   1.4920   74.020   1.4886 0.8706894 2.107625 
1 1 1   18    3  -36 o   65.621   1.0709  579.430   18.874  566.514   28.106  590.039   25.473   64.805   1.6147   66.168   1.4333 -1.363060 2.159109 
1 1 1   18    3  -35 f   35.138   1.2654  166.231   11.942  154.540   17.509  176.401   16.331   33.769   1.9386   36.163   1.6813 -2.393932 2.566079 
1 1 1   18    3  -34 o   21.763   1.5751   64.156   9.1449   65.819   11.500   61.297   15.082   21.992   1.9677   21.085   2.7270 0.9072342 3.362795 
1 1 1   18    3  -33 o  128.048   1.3817  2207.19   47.521  2230.40   67.545  2184.43   66.871  128.567   1.9560  127.235   1.9568 1.332222 2.766753 
1 1 1   18    3  -32 o  102.689   1.1893  1418.39   32.804  1434.74   46.743  1402.52   46.048  103.198   1.6864  102.034   1.6803 1.164291 2.380566 
1 1 1   18    3  -31 o   55.013   0.9653  406.813   14.263  407.587   20.243  406.050   20.100   55.039   1.3693   54.936   1.3622 0.1033669 1.931495 
1 1 1   18    3  -30 o   73.598   1.0138  728.117   20.041  728.675   28.330  727.557   28.356   73.592   1.4333   73.535   1.4357 0.5668640E-01 2.028630 
1 1 1   18    3  -29 o   34.921   1.0366  163.922   9.7231  166.736   13.757  161.113   13.744   35.204   1.4549   34.605   1.4787 0.5997009 2.074457 
1 1 1   18    3  -28 o   42.676   0.9760  244.765   11.187  259.876   16.133  230.769   15.526   43.958   1.3664   41.422   1.3956 2.536057 1.953114 
1 1 1   18    3  -27 o   58.548   1.1136  460.766   17.512  479.568   21.853  427.019   29.276   59.717   1.3625   56.311   1.9357 3.405754 2.367084 
1 1 1   18    3  -26 o   75.154   1.4439  759.611   29.146  760.694   40.969  758.502   41.474   75.155   2.0295   75.044   2.0576 0.1113281 2.890134 
1 1 1   18    3  -25 o   78.522   1.0241  828.580   21.599  820.673   30.387  836.654   30.707   78.120   1.4482   78.877   1.4494 -0.7568817 2.048939 
1 1 1   18    3  -24 f   82.268   1.0446  909.503   23.082  900.133   32.554  918.977   32.733   81.817   1.4814   82.670   1.4742 -0.8524704 2.089890 
1 1 1   18    3  -23 o   57.956   0.9430  451.294   14.679  454.638   20.787  447.969   20.731   58.156   1.3308   57.728   1.3371 0.4283524 1.886441 
1 1 1   18    3  -22 o   79.098   1.0188  840.646   21.645  821.627   30.163  860.836   31.078   78.179   1.4365   80.022   1.4460 -1.843163 2.038197 
1 1 1   18    3  -21 o  121.734   1.8525  1993.11   60.571  1971.68   85.158  2015.07   86.172  120.987   2.6206  122.310   2.6231 -1.323730 3.707802 
1 1 1   18    3  -20 f   82.999   1.4636  925.920   32.628  931.674   46.231  920.208   46.056   83.221   2.0682   82.707   2.0732 0.5140228 2.928481 
1 1 1   18    3  -19 o   62.627   0.9451  526.894   15.898  534.345   22.614  519.613   22.355   63.058   1.3352   62.183   1.3385 0.8754082 1.890584 
1 1 1   18    3  -18 o  183.464   1.8256  4525.19   89.960  4534.43  127.387  4516.00  127.059  183.552   2.5839  183.179   2.5825 0.3730316 3.653191 
1 1 1   18    3  -17 o  119.806   1.2924  1928.57   41.587  1952.15   59.151  1905.52   58.482  120.506   1.8275  119.058   1.8288 1.447952 2.585418 
1 1 1   18    3  -16 o   60.410   0.9357  490.213   15.182  501.350   21.625  479.389   21.319   61.085   1.3180   59.732   1.3288 1.353096 1.871637 
1 1 1   18    3  -15 o  146.237   1.5053  2873.64   59.124  2862.05   83.380  2885.35   83.850  145.900   2.1277  146.492   2.1311 -0.5923767 3.011408 
1 1 1   18    3  -14 o  133.945   1.4036  2410.59   50.496  2426.81   71.715  2394.64   71.115  134.363   1.9872  133.470   1.9837 0.8932343 2.807856 
1 1 1   18    3  -13 o  240.767   2.3325  7794.58  150.838  7748.68  212.545  7841.15  214.098  239.910   3.2985  241.336   3.3029 -1.426544 4.667882 
1 1 1   18    3  -12 o  221.636   1.8389  6601.75  109.472  6514.21  146.821  6711.35  164.278  220.096   2.4836  223.370   2.7382 -3.273727 3.696765 
1 1 1   18    3  -11 o  123.234   1.1082  2040.03   36.683  2079.80   55.097  2008.36   49.162  124.411   1.6488  122.262   1.4971 2.149269 2.227106 
1 1 1   18    3  -10 o  221.767   1.7588  6608.74  104.761  6576.02  147.695  6641.87  148.617  221.151   2.4865  222.255   2.4896 -1.104141 3.518605 
1 1 1   18    3   -9 o   52.946   0.9224  376.535   13.118  371.151   19.478  381.004   17.745   52.561   1.3797   53.256   1.2405 -0.6949158 1.855399 
1 1 1   18    3   -8 o   93.173   0.9515  1166.04   23.812  1169.88   37.551  1163.45   30.795   93.315   1.4982   93.064   1.2320 0.2508698 1.939729 
1 1 1   18    3   -7 o   51.994   0.8020  363.091   11.201  368.070   19.638  360.690   13.636   52.343   1.3968   51.820   0.9797 0.5229645 1.706142 
1 1 1   18    3   -6 o   44.043   0.8161  260.534   9.6543  274.532   14.593  249.640   12.874   45.208   1.2018   43.110   1.1119 2.097401 1.637267 
1 1 1   18    3   -5 o   95.899   0.9295  1235.25   23.941  1226.18   32.302  1246.29   35.663   95.541   1.2588   96.319   1.3785 -0.7778091 1.866780 
1 1 1   18    3   -4 f  103.792   0.9760  1446.97   27.210  1416.84   36.473  1484.78   40.860  102.699   1.3222  105.130   1.4471 -2.430321 1.960168 
1 1 1   18    3   -3 o  207.215   1.8096  5769.46  100.714  5792.81  130.372  5734.91  158.606  207.597   2.3381  206.511   2.8595 1.085754 3.693709 
1 1 1   18    3   -2 o  160.696   1.4441  3469.10   62.331  3530.77   81.337  3381.34   97.021  162.099   1.8682  158.610   2.2774 3.489090 2.945619 
1 1 1   18    3   -1 o  224.421   2.3298  6769.65  140.436  6927.12  168.562  6412.30  253.923  226.975   2.7650  218.183   4.3330 8.791962 5.140031 
1 1 1   18    3    0 o  104.002   1.1480  1452.90   32.068  1518.66   46.423  1392.87   44.349  106.318   1.6257  101.820   1.6217 4.498207 2.296208 
1 1 1   18    3    1 o   73.633   0.9415  728.226   18.620  736.871   23.834  714.685   29.829   74.065   1.1981   72.937   1.5227 1.128685 1.937516 
1 1 1   18    3    2 o  294.378   2.2976 11647.79  181.667 11602.69  256.251 11693.37  257.587  293.682   3.2486  294.827   3.2529 -1.144806 4.597218 
1 1 1   18    3    3 o  160.133   1.3736  3444.76   59.078  3480.07   80.448  3403.43   87.041  160.931   1.8611  159.141   2.0363 1.790695 2.758717 
1 1 1   18    3    4 f   99.073   1.1987  1318.49   31.896  1364.56   49.699  1286.23   41.592  100.773   1.8362   97.845   1.5826 2.928337 2.424096 
1 1 1   18    3    5 o  101.793   1.0139  1391.78   27.721  1388.38   35.775  1396.88   43.856  101.662   1.3102  101.966   1.6013 -0.3037796 2.069015 
1 1 1   18    3    6 o  132.625   1.2329  2362.78   43.918  2354.67   56.601  2375.05   69.617  132.385   1.5918  132.943   1.9497 -0.5571747 2.516965 
1 1 1   18    3    7 o  203.036   1.7787  5539.22   96.996  5607.97  126.153  5439.81  151.700  204.254   2.2995  201.122   2.8082 3.131577 3.629596 
1 1 1   18    3    8 o   42.757   0.7855  245.540   9.0213  252.412   13.105  239.349   12.438   43.349   1.1255   42.212   1.0970 1.136379 1.571698 
1 1 1   18    3    9 o   95.832   1.3951  1233.80   35.910  1281.21   46.823  1166.08   55.957   97.645   1.7853   93.139   2.2368 4.505943 2.861962 
1 1 1   18    3   10 o  135.454   1.2572  2464.78   45.739  2448.86   58.774  2489.23   72.832  135.002   1.6209  136.092   1.9925 -1.090424 2.568540 
1 1 1   18    3   11 o   69.087   0.8789  641.103   16.310  671.094   24.646  617.736   21.755   70.678   1.2983   67.812   1.1944 2.866165 1.764120 
1 1 1   18    3   12 o   73.874   0.9530  733.052   18.910  742.470   23.997  717.624   30.715   74.343   1.2018   73.081   1.5648 1.262413 1.973023 
1 1 1   18    3   13 o  105.886   1.0519  1506.08   29.918  1521.49   38.741  1483.32   47.091  106.418   1.3554  105.063   1.6688 1.354691 2.149843 
1 1 1   18    3   14 o   98.260   1.1894  1297.06   31.390  1291.30   41.282  1304.96   48.330   98.029   1.5679   98.536   1.8261 -0.5067749 2.406858 
1 1 1   18    3   15 o  142.988   1.3186  2747.00   50.641  2755.04   65.354  2734.91   80.114  143.176   1.6994  142.625   2.0913 0.5513306 2.694767 
1 1 1   18    3   16 o  103.829   1.0985  1448.26   30.634  1483.78   37.771  1379.97   52.365  105.087   1.3382  101.317   1.9243 3.769470 2.343847 
1 1 1   18    3   17 o  187.156   1.7489  4708.30   87.912  4739.95  107.933  4645.92  151.534  187.741   2.1404  185.741   3.0375 2.000031 3.715864 
1 1 1   18    3   18 o   80.615   1.0162  873.052   22.003  864.580   27.397  888.447   36.930   80.215   1.2716   81.299   1.6912 -1.083191 2.115973 
1 1 1   18    3   19 o   35.793   0.9482  172.104   9.1161  176.949   10.783  159.963   17.069   36.291   1.1062   34.442   1.8519 1.849018 2.157141 
1 1 1   18    3   20 f   49.986   0.8227  335.636   11.045  351.179   16.418  322.786   14.928   51.122   1.1957   49.014   1.1339 2.108849 1.647849 
1 1 1   18    3   21 o   46.101   0.7577  285.488   9.3825  288.048   12.742  282.457   13.867   46.302   1.0246   45.848   1.1261 0.4537811 1.522430 
1 1 1   18    3   22 o   54.149   0.7595  393.881   11.047  387.134   14.773  402.439   16.637   53.677   1.0247   54.725   1.1319 -1.047741 1.526819 
1 1 1   18    3   23 o   64.804   0.8765  564.222   15.257  560.352   20.436  569.096   22.932   64.571   1.1783   65.067   1.3122 -0.4960861 1.763596 
1 1 1   18    3   24 f   56.014   0.7383  421.499   11.108  420.825   15.625  422.188   15.795   55.961   1.0395   56.051   1.0492 -0.9025955E-01 1.476959 
1 1 1   18    3   25 o   32.970   0.8182  146.046   7.2454  143.217   9.5793  149.828   11.076   32.644   1.0925   33.385   1.2352 -0.7414169 1.649038 
1 1 1   18    3   26 o  148.321   1.2432  2957.52   49.528  2907.68   69.290  3009.59   70.822  146.988   1.7551  149.540   1.7633 -2.552338 2.487838 
1 1 1   18    3   27 o  105.493   1.0509  1495.75   29.776  1470.60   41.668  1521.99   42.565  104.560   1.4837  106.370   1.4898 -1.810669 2.102615 
1 1 1   18    3   28 o   57.285   0.8085  440.930   12.441  435.906   17.730  445.802   17.460   56.943   1.1593   57.587   1.1288 -0.6442642 1.618073 
1 1 1   18    3   29 o  149.355   1.2547  2999.68   50.334  3009.41   71.317  2990.02   71.050  149.497   1.7761  149.015   1.7752 0.4821014 2.511119 
1 1 1   18    3   30 o   96.483   0.9625  1251.22   24.942  1263.01   37.173  1241.56   33.638   96.888   1.4285   96.076   1.3035 0.8111038 1.933828 
1 1 1   18    3   31 o   10.392   2.0758   15.079   5.5911   17.266   8.2170   13.193   7.6296   11.081   2.7687   9.7549   2.7781 1.326024 3.922194 
1 1 1   18    3   32 o   35.691   0.7965  171.191   7.6356  167.737   10.687  174.791   10.913   35.317   1.1267   36.051   1.1270 -0.7349129 1.593599 
1 1 1   18    3   33 o   24.798   1.0864   82.705   7.2362   80.594   11.783   83.983   9.1691   24.381   1.8122   24.940   1.3741 -0.5591183 2.274242 
1 1 1   18    3   34 o   67.680   0.9267  615.892   16.845  640.007   29.665  604.416   20.464   68.910   1.6028   67.026   1.1367 1.883667 1.964955 
1 1 1   18    3   35 f   27.733   0.9835  103.444   7.3255  112.913   10.041   92.667   10.712   28.959   1.2909   26.176   1.5302 2.782476 2.001987 
1 1 1   18    3   36 o   32.960   0.8553  146.072   7.5718  141.574   10.570  150.814   10.852   32.428   1.2136   33.469   1.2072 -1.041878 1.711729 
1 1 1   18    3   37 o   55.586   0.7814  415.418   11.666  413.563   16.314  417.359   16.689   55.432   1.0958   55.683   1.1159 -0.2515335 1.563929 
1 1 1   18    3   38 o   40.386   0.8698  219.372   9.4354  233.513   13.244  204.795   13.446   41.641   1.1841   38.987   1.2840 2.654026 1.746674 
1 1 1   18    3   39 o   43.779   0.9274  257.852   10.905  266.463   14.658  247.176   16.320   44.474   1.2270   42.812   1.4192 1.662308 1.876119 
1 1 1   18    3   40 o   33.171   1.0024  148.095   8.9307  153.089   11.140  139.113   14.940   33.707   1.2305   32.032   1.7431 1.675282 2.133657 
1 1 1   18    3   41 o   51.516   0.8469  357.012   11.718  350.019   15.666  365.893   17.655   50.974   1.1443   52.099   1.2616 -1.125759 1.703250 
1 1 1   18    3   42 f   74.362   0.8506  743.979   16.989  735.341   23.724  753.071   24.339   73.862   1.1958   74.744   1.2124 -0.8813553 1.702910 
1 1 1   18    3   43 o   31.181   1.0122  130.945   8.4773  139.849   11.149  118.743   13.052   32.195   1.2893   29.578   1.6494 2.617144 2.093555 
1 1 1   18    3   44 o   16.849   1.8491   38.968   8.2303   36.328   9.9941   44.534   14.508   16.146   2.3756   17.696   3.1687 -1.550848 3.960351 
1 1 1   18    3   45 o   36.346   0.9232  177.905   9.0125  179.295   12.366  176.329   13.163   36.444   1.2633   36.127   1.3565 0.3169937 1.853645 
1 1 1   18    3   46 o   33.721   0.9618  153.189   8.7110  149.495   12.032  157.258   12.628   33.262   1.3467   34.110   1.3784 -0.8476791 1.927092 
1 1 1   18    3   47 o   15.334   1.6763   32.252   6.7914   16.168   9.3510   50.207   9.8796   10.672   3.0868   19.114   1.9518 -8.441289 3.652139 
1 1 1   18    3   48 o   28.224   1.1631  107.488   8.8170  101.920   13.410  111.729   11.702   27.327   1.8377   28.687   1.5242 -1.360046 2.387519 
1 1 1   18    3   49 o   53.828   0.8429  390.121   12.186  392.780   16.027  386.477   18.761   53.960   1.1058   53.479   1.3061 0.4817047 1.711342 
1 1 1   18    3   50 o   59.502   0.8625  476.872   13.784  475.182   19.317  478.625   19.675   59.312   1.2126   59.521   1.2307 -0.2093735 1.727691 
1 1 1   18    3   51 o   17.961   1.9459   44.535   9.2374   49.307   11.728   36.737   14.992   18.791   2.3769   15.804   3.6107 2.986732 4.322851 
1 1 1   18    3   52 o   47.539   1.0531  305.220   13.447  271.240   17.602  352.846   20.838   44.697   1.4662   50.958   1.5225 -6.260708 2.113683 
1 1 1   18    3   53 o   38.693   1.1350  202.617   11.795  187.642   16.678  217.603   16.684   37.069   1.6751   39.965   1.5543 -2.895824 2.285124 
1 1 1   18    3   54 o   16.372   1.8820   37.332   8.1255   45.025   12.498   31.699   10.694   17.687   2.7178   14.754   2.8010 2.932590 3.902822 
1 1 1   18    3   55 o   11.327   2.6643   18.886   7.9700   7.5206   11.888   28.165   10.742   8.6918   3.4374   13.761   2.9916 -5.069102 4.556884 
1 1 1   18    3   56 o   9.2703   3.1418   12.161   9.3205   3.4083   12.384   23.597   14.155   8.0146   3.3753   12.310   3.8528 -4.295003 5.122177 
1 1 1   18    4  -54 o   7.2975   3.3959 -11.3293   16.154   0.0000   0.0000 -11.3293   16.154  ?   ?    7.2975   3.3959 0.000000 3.395857 
1 1 1   18    4  -53 o   14.920   4.4216   34.749   18.983   0.0000   0.0000   34.749   18.983  ?   ?    14.920   4.4216 0.000000 4.421649 
1 1 1   18    4  -52 o   15.478   2.9333   34.714   11.748   49.540   17.742   23.137   15.678   18.212   3.7519   12.574   4.0688 5.637197 5.534670 
1 1 1   18    4  -51 o   13.487   3.4132   26.768   12.375   23.866   18.163   29.282   16.905   12.964   4.3859   14.022   4.1766 -1.057497 6.056448 
1 1 1   18    4  -50 o   29.547   1.3959  118.218   11.078  124.223   15.829  112.453   15.509   30.104   1.9685   28.617   2.0310 1.486635 2.828387 
1 1 1   18    4  -49 o   32.033   1.4630  138.951   12.588  133.073   15.854  148.975   20.705   31.205   1.9006   32.873   2.3608 -1.668047 3.030791 
1 1 1   18    4  -48 o   16.249   2.9085   37.558   12.228   21.188   17.026   54.994   17.572   12.481   4.2463   19.553   3.4732 -7.071733 5.485808 
1 1 1   18    4  -47 o   7.3616   2.9101   4.3641   8.5167  -6.5011   12.376   14.139   11.738   6.8450   3.1057   10.358   3.5258 -3.512869 4.698601 
1 1 1   18    4  -46 o   11.317   3.1836   18.324   10.084   31.059   17.232   11.692   12.435   14.565   4.1838   9.9127   3.6065 4.651942 5.523722 
1 1 1   18    4  -45 o   32.033   1.4060  138.736   12.097  138.461   19.563  138.907   15.393   31.741   2.3105   31.935   1.8019 -0.1938820 2.930113 
1 1 1   18    4  -44 o   23.643   1.5540   75.981   9.8137   61.769   13.563   91.598   14.218   21.111   2.4367   25.858   2.0643 -4.747017 3.193532 
1 1 1   18    4  -43 o   33.981   1.2040  155.751   10.988  165.690   15.530  145.788   15.550   34.980   1.6530   32.745   1.7746 2.235146 2.425209 
1 1 1   18    4  -42 o   14.785   2.1865   30.360   8.4210   30.524   11.920   30.197   11.899   14.615   3.1308   14.533   3.1400 0.8196259E-01 4.434134 
1 1 1   18    4  -41 o   50.904   1.0357  348.946   14.160  355.814   19.988  342.028   20.062   51.336   1.4496   50.325   1.4842 1.010788 2.074715 
1 1 1   18    4  -40 o   7.7897   2.8773   6.5890   7.9593  -2.2999   11.022   16.277   11.507   6.9988   3.0669   10.932   3.4803 -3.933648 4.638789 
1 1 1   18    4  -39 o   11.751   3.2490   19.561   10.598   10.337   14.124   31.446   16.032   10.048   3.8075   14.790   3.9580 -4.741698 5.492020 
1 1 1   18    4  -38 o   60.381   1.0312  490.715   16.723  488.606   23.403  492.915   23.905   60.186   1.4477   60.447   1.4724 -0.2602501 2.064902 
1 1 1   18    4  -37 o   70.999   1.2180  678.966   23.228  697.848   41.273  670.214   28.100   71.759   2.1414   70.490   1.4842 1.269341 2.605464 
1 1 1   18    4  -36 o   36.902   1.0969  183.289   10.872  189.487   15.539  177.345   15.217   37.480   1.5436   36.257   1.5626 1.222603 2.196483 
1 1 1   18    4  -35 o   72.887   1.1981  715.217   23.456  715.702   40.163  714.966   28.895   72.737   2.0558   72.827   1.4772 -0.9027863E-01 2.531488 
1 1 1   18    4  -34 o   51.271   1.0451  353.637   14.393  344.297   19.426  365.002   21.430   50.552   1.4307   52.037   1.5332 -1.485386 2.097083 
1 1 1   18    4  -33 o   52.045   1.0787  364.360   15.079  387.329   19.746  332.223   23.356   53.633   1.3707   49.630   1.7521 4.003151 2.224618 
1 1 1   18    4  -32 o   38.818   1.0358  202.640   10.799  192.366   15.260  212.947   15.285   37.793   1.5033   39.769   1.4309 -1.975700 2.075428 
1 1 1   18    4  -31 o   30.982   1.1162  129.090   9.2882  128.986   12.873  129.203   13.415   30.910   1.5555   30.930   1.6204 -0.1926041E-01 2.246200 
1 1 1   18    4  -30 o   56.130   0.9749  423.514   14.698  422.943   20.744  424.089   20.828   56.065   1.3776   56.140   1.3813 -0.7563019E-01 1.950777 
1 1 1   18    4  -29 o  123.772   1.3396  2060.80   44.535  2062.01   62.857  2059.57   63.109  123.706   1.8918  123.631   1.9005 0.7506561E-01 2.681558 
1 1 1   18    4  -28 o   21.867   1.3422   64.554   7.8449   62.405   11.140   66.668   11.050   21.433   1.9567   22.169   1.8733 -0.7357788 2.708807 
1 1 1   18    4  -27 o   43.872   0.9694  258.680   11.423  262.042   16.241  255.390   16.068   44.139   1.3699   43.575   1.3729 0.5639381 1.939486 
1 1 1   18    4  -26 o   20.879   1.5013   58.945   8.3631   65.822   11.074   49.817   12.759   22.029   1.8899   19.045   2.5590 2.983915 3.181250 
1 1 1   18    4  -25 o   40.000   1.4052  215.175   15.097  199.295   20.770  232.965   21.984   38.414   2.0201   41.593   1.9678 -3.178345 2.820142 
1 1 1   18    4  -24 o   77.516   1.0177  807.493   21.188  821.859   30.249  793.652   29.689   78.175   1.4406   76.822   1.4389 1.353134 2.036091 
1 1 1   18    4  -23 o   61.295   0.9481  504.830   15.608  498.856   22.011  510.872   22.136   60.914   1.3454   61.644   1.3369 -0.7296677 1.896682 
1 1 1   18    4  -22 o  130.093   1.3801  2275.28   48.222  2224.27   67.337  2328.97   69.089  128.559   1.9501  131.549   1.9554 -2.990158 2.761605 
1 1 1   18    4  -21 o   15.348   1.7083   32.072   6.9227   34.384   9.7065   29.678   9.8761   15.806   2.3585   14.623   2.6104 1.183989 3.518040 
1 1 1   18    4  -20 o   94.297   1.2796  1195.06   32.410  1171.47   39.368  1244.68   57.090   93.344   1.5703   96.162   2.2104 -2.818123 2.711349 
1 1 1   18    4  -19 o   63.889   1.3383  548.585   22.966  559.477   32.761  538.061   32.202   64.496   1.8912   63.249   1.8956 1.246677 2.677651 
1 1 1   18    4  -18 o   77.201   1.1554  800.807   23.957  754.042   40.370  826.228   29.764   74.874   2.0074   78.407   1.4134 -3.532593 2.455070 
1 1 1   18    4  -17 o   80.201   1.0234  864.138   22.045  840.101   30.776  889.468   31.593   79.063   1.4492   81.353   1.4459 -2.289978 2.047152 
1 1 1   18    4  -16 o   64.220   0.9451  554.024   16.303  547.914   22.934  560.265   23.178   63.856   1.3372   64.571   1.3364 -0.7157173 1.890555 
1 1 1   18    4  -15 o   47.470   0.9277  302.700   11.829  304.888   16.618  300.452   16.841   47.635   1.2988   47.287   1.3260 0.3483467 1.856097 
1 1 1   18    4  -14 o   97.707   1.1301  1282.54   29.658  1286.98   41.952  1278.11   41.934   97.858   1.5961   97.521   1.6009 0.3377075 2.260666 
1 1 1   18    4  -13 o  156.812   1.4190  3304.11   59.767  3300.46   76.912  3309.67   94.960  156.698   1.8274  156.881   2.2536 -0.1823273 2.901425 
1 1 1   18    4  -12 f   46.070   0.7432  285.076   9.1962  296.148   11.952  269.012   14.397   46.954   0.9477   44.748   1.1978 2.205925 1.527429 
1 1 1   18    4  -11 o   61.744   0.7179  512.043   11.906  514.038   16.825  510.041   16.851   61.861   1.0126   61.619   1.0181 0.2410316 1.435973 
1 1 1   18    4  -10 o  177.228   1.4361  4220.19   68.363  4265.15   97.327  4176.40   96.047  178.128   2.0343  176.266   2.0287 1.862503 2.872973 
1 1 1   18    4   -9 o  143.116   1.2505  2751.61   48.068  2759.63   65.146  2742.03   71.217  143.304   1.6925  142.837   1.8563 0.4666290 2.512068 
1 1 1   18    4   -8 o  172.706   1.4670  4007.50   68.052  3976.27  100.562  4033.87   92.431  171.985   2.1770  173.241   1.9864 -1.255569 2.947045 
1 1 1   18    4   -7 o  223.874   2.0510  6736.56  123.325  6803.40  186.126  6684.26  164.656  224.861   3.0818  222.927   2.7499 1.933838 4.130317 
1 1 1   18    4   -6 o   50.154   0.8116  337.858   10.934  339.051   16.161  336.851   14.848   50.239   1.1976   50.077   1.1039 0.1621437 1.628779 
1 1 1   18    4   -5 f   68.916   0.8721  637.924   16.143  644.754   24.440  632.637   21.500   69.278   1.3135   68.626   1.1664 0.6516647 1.756646 
1 1 1   18    4   -4 o  246.568   2.0288  8170.96  134.359  8236.44  182.812  8094.03  198.136  247.473   2.7503  245.290   3.0074 2.183151 4.075387 
1 1 1   18    4   -3 o  243.962   2.0082  7998.93  131.591  7978.45  194.825  8016.12  178.448  243.539   2.9784  244.147   2.7213 -0.6076202 4.034371 
1 1 1   18    4   -2 o  116.673   1.1174  1828.53   35.017  1783.24   54.640  1860.10   45.616  115.199   1.7659  117.667   1.4434 -2.467766 2.280727 
1 1 1   18    4   -1 o   68.972   0.8183  638.946   15.160  647.856   19.858  626.499   23.472   69.449   1.0646   68.291   1.2796 1.157455 1.664573 
1 1 1   18    4    0 o  110.606   1.0243  1643.25   30.431  1647.64   41.346  1638.06   44.952  110.745   1.3900  110.419   1.5157 0.3261871 2.056566 
1 1 1   18    4    1 o  127.793   1.1419  2193.70   39.193  2148.12   52.440  2251.38   58.991  126.446   1.5441  129.443   1.6967 -2.997505 2.294142 
1 1 1   18    4    2 o  108.852   1.0143  1591.53   29.655  1629.87   40.660  1547.96   43.345  110.146   1.3744  107.339   1.5035 2.807068 2.036987 
1 1 1   18    4    3 o  142.960   1.2502  2745.47   48.006  2734.22   64.867  2759.09   71.381  142.649   1.6930  143.289   1.8547 -0.6396027 2.511238 
1 1 1   18    4    4 o  143.006   1.3126  2747.33   50.417  2720.91   64.668  2788.28   80.507  142.301   1.6920  144.032   2.0810 -1.730911 2.682067 
1 1 1   18    4    5 f   50.323   0.8311  340.139   11.233  351.918   13.792  316.922   19.362   51.186   1.0032   48.568   1.4842 2.617340 1.791457 
1 1 1   18    4    6 o   72.796   0.9556  711.794   18.683  699.649   21.384  750.970   38.407   72.170   1.1032   74.752   1.9129 -2.582069 2.208227 
1 1 1   18    4    7 o   48.170   1.0725  311.692   13.876  318.556   15.672  286.800   29.846   48.697   1.1982   46.122   2.4177 2.574619 2.698309 
1 1 1   18    4    8 o  252.270   2.6028  8558.75  176.358  8615.95  209.398  8419.14  327.107  253.040   3.0810  249.760   4.8761 3.279953 5.767952 
1 1 1   18    4    9 o  150.579   1.3728  3046.28   55.521  3046.30   71.630  3046.24   87.874  150.559   1.7713  150.532   2.1734 0.2743530E-01 2.803793 
1 1 1   18    4   10 o   65.740   0.9265  580.502   16.359  587.122   20.474  568.816   27.204   66.110   1.1530   65.063   1.5567 1.046837 1.937201 
1 1 1   18    4   11 o   95.381   1.0359  1222.08   26.538  1243.69   32.647  1180.00   45.564   96.215   1.2633   93.700   1.8105 2.514496 2.207642 
1 1 1   18    4   12 f   80.191   1.0679  863.843   23.001  841.989   30.188  894.088   35.514   79.161   1.4198   81.567   1.6210 -2.406097 2.154899 
1 1 1   18    4   13 o  116.664   1.2531  1828.59   39.267  1827.76   49.590  1829.98   64.293  116.623   1.5831  116.668   2.0517 -0.4444885E-01 2.591513 
1 1 1   18    4   14 o  135.194   1.2573  2455.68   45.655  2488.84   59.447  2408.00   71.286  136.084   1.6264  133.831   1.9831 2.252441 2.564786 
1 1 1   18    4   15 o  138.749   1.2253  2586.55   45.663  2606.01   62.002  2563.48   67.501  139.244   1.6578  138.092   1.8199 1.152603 2.461796 
1 1 1   18    4   16 o  110.738   1.0356  1647.44   30.803  1651.39   41.641  1642.66   45.777  110.855   1.3985  110.554   1.5416 0.3009186 2.081459 
1 1 1   18    4   17 o   45.389   0.7636  276.728   9.3091  280.016   12.468  272.585   13.995   45.654   1.0167   45.042   1.1568 0.6122742 1.540097 
1 1 1   18    4   18 o   93.939   0.9340  1185.51   23.567  1189.67   31.852  1180.47   35.031   94.091   1.2603   93.720   1.3916 0.3709335 1.877539 
1 1 1   18    4   19 o   82.066   0.9120  904.777   20.102  916.564   28.441  893.011   28.416   82.585   1.2822   81.516   1.2979 1.068665 1.824411 
1 1 1   18    4   20 o   69.909   0.9461  656.606   17.765  663.707   22.221  644.028   29.573   70.278   1.1772   69.209   1.5909 1.068123 1.979040 
1 1 1   18    4   21 o   83.300   0.9105  932.254   20.372  950.418   26.629  906.619   31.634   84.095   1.1789   82.121   1.4342 1.974556 1.856572 
1 1 1   18    4   22 o   78.804   0.9935  834.446   21.028  820.802   26.624  857.068   34.282   78.143   1.2685   79.830   1.5989 -1.686508 2.040952 
1 1 1   18    4   23 o   43.283   0.7610  251.686   8.8471  250.916   11.878  252.645   13.258   43.211   1.0235   43.356   1.1385 -0.1453171 1.530920 
1 1 1   18    4   24 o   8.3178   2.2116   9.6489   5.0263   10.094   6.6791   9.0683   7.6324   8.6409   2.6369   8.4713   2.8432 0.1696148 3.877804 
1 1 1   18    4   25 o   62.308   0.7551  521.592   12.637  519.531   17.688  523.742   18.062   62.173   1.0592   62.424   1.0773 -0.2506142 1.510769 
1 1 1   18    4   26 o   77.519   0.8135  807.409   16.937  796.237   23.711  819.047   24.201   76.962   1.1470   78.056   1.1544 -1.094063 1.627341 
1 1 1   18    4   27 o   52.335   0.7927  368.013   11.143  377.546   15.814  358.614   15.703   52.995   1.1110   51.649   1.1319 1.346779 1.586063 
1 1 1   18    4   28 o   82.019   0.9095  904.077   20.035  910.382   28.384  897.817   28.285   82.276   1.2844   81.706   1.2889 0.5701599 1.819591 
1 1 1   18    4   29 o   39.887   0.7702  213.779   8.2511  219.079   11.567  208.288   11.774   40.368   1.0668   39.360   1.1137 1.008579 1.542194 
1 1 1   18    4   30 o   37.666   0.8210  190.657   8.3062  190.437   12.316  190.840   11.249   37.628   1.2186   37.673   1.1118 -0.4451370E-01 1.649563 
1 1 1   18    4   31 o   34.221   0.9320  157.424   8.5669  157.059   13.990  157.643   10.836   34.153   1.5250   34.235   1.1785 -0.8143997E-01 1.927316 
1 1 1   18    4   32 o   38.426   0.8643  198.484   8.9208  182.932   13.512  210.501   11.878   36.864   1.3646   39.560   1.1178 -2.695522 1.764020 
1 1 1   18    4   33 o   54.735   0.7692  402.681   11.309  402.328   15.831  403.049   16.159   54.689   1.0778   54.737   1.0991 -0.4712677E-01 1.539373 
1 1 1   18    4   34 o   25.547   1.1426   87.828   7.8401   91.758   11.685   84.609   10.574   26.028   1.6804   25.002   1.5828 1.026394 2.308422 
1 1 1   18    4   35 o   19.590   1.2017   51.858   6.2924   40.936   8.9247   62.654   8.8732   17.294   1.9557   21.500   1.5469 -4.206270 2.493539 
1 1 1   18    4   36 o   20.959   1.1289   59.305   6.3318   59.408   8.6686   59.188   9.2707   20.929   1.5532   20.874   1.6675 0.5468559E-01 2.278783 
1 1 1   18    4   37 o   12.784   1.9135   22.584   6.3682   21.354   8.1179   24.553   10.268   12.311   2.5393   13.152   2.9762 -0.8409958 3.912276 
1 1 1   18    4   38 o   12.214   2.0952   20.774   6.6259   16.710   9.2148   25.124   9.5342   10.891   3.0362   13.336   2.7531 -2.445030 4.098560 
1 1 1   18    4   39 o   39.757   0.8677  212.622   9.2657  215.847   12.292  208.379   14.100   40.033   1.1432   39.313   1.3353 0.7193260 1.757861 
1 1 1   18    4   40 o   16.125   1.4575   35.376   6.2442   40.718   8.5666   29.321   9.1208   17.241   1.8804   14.487   2.4301 2.754392 3.072711 
1 1 1   18    4   41 o   18.842   1.3080   48.115   6.5789   47.386   8.9335   48.980   9.7246   18.621   1.8090   18.910   1.9422 -0.2891750 2.654172 
1 1 1   18    4   42 o   63.508   0.8240  542.668   14.055  543.310   19.625  541.991   20.140   63.489   1.1508   63.405   1.1826 0.8359909E-01 1.650148 
1 1 1   18    4   43 o   32.640   1.0547  143.558   9.2461  146.221   12.696  140.551   13.492   32.894   1.4370   32.232   1.5585 0.6617279 2.119855 
1 1 1   18    4   44 o   50.074   0.8946  337.607   12.032  337.381   15.803  337.920   18.560   50.009   1.1765   50.007   1.3818 0.2693176E-02 1.814850 
1 1 1   18    4   45 o   41.312   1.0030  229.994   11.129  237.160   14.202  218.590   17.917   41.909   1.2617   40.155   1.6612 1.754066 2.086004 
1 1 1   18    4   46 o   46.086   0.9965  286.227   12.334  282.589   18.070  289.400   16.877   45.698   1.4723   46.271   1.3580 -0.5736427 2.002917 
1 1 1   18    4   47 o   43.753   0.8981  257.833   10.555  259.291   15.126  256.448   14.734   43.811   1.2854   43.575   1.2589 0.2356224 1.799226 
1 1 1   18    4   48 o   9.1756   2.4884   11.946   6.2874   13.655   7.9273   9.0472   10.323   9.8266   2.8421   8.9031   3.2789 0.9234962 4.339201 
1 1 1   18    4   49 o   43.219   0.9801  251.783   11.377  251.271   14.628  252.568   18.101   43.122   1.2629   43.163   1.5614 -0.4092789E-01 2.008219 
1 1 1   18    4   50 o   41.571   1.0399  233.156   11.611  231.570   16.135  234.860   16.722   41.339   1.4532   41.620   1.4959 -0.2814255 2.085527 
1 1 1   18    4   51 o   19.179   1.8820   50.706   9.5700   66.978   13.585   34.674   13.484   21.927   2.3429   15.383   3.3578 6.543943 4.094430 
1 1 1   18    4   52 o   44.676   1.0923  269.880   13.108  276.460   18.782  263.633   18.301   45.063   1.5518   44.006   1.5484 1.056477 2.192162 
1 1 1   18    4   53 o   27.417   1.3644  102.205   10.048   94.532   13.957  110.459   14.476   26.112   2.0053   28.274   1.9175 -2.161758 2.774544 
1 1 1   18    4   54 o   11.816   2.7855   20.601   8.6961   24.462   12.630   17.121   11.991   12.678   3.5618   10.839   3.5613 1.838794 5.036833 
1 1 1   18    4   55 o   20.376   1.6096   57.374   8.7371   55.966   13.434   58.406   11.502   19.687   2.6045   20.345   2.1367 -0.6582947 3.368863 
1 1 1   18    4   56 o   11.443   3.1685   20.046   10.071   17.600   24.695   20.534   11.030   11.848   4.8581   11.538   3.3569 0.3104801 5.905054 
1 1 1   18    5  -54 o   22.202   5.0482   82.770   29.423   0.0000   0.0000   82.770   29.423  ?   ?    22.202   5.0482 0.000000 5.048207 
1 1 1   18    5  -52 o   32.093   2.5435  144.857   21.745   0.0000   0.0000  144.857   21.745  ?   ?    32.093   2.5435 0.000000 2.543468 
1 1 1   18    5  -51 o   30.779   1.7068  129.644   14.055  150.959   20.653  111.257   19.182   32.955   2.3486   28.175   2.5628 4.780193 3.476221 
1 1 1   18    5  -50 o   43.383   1.5444  255.618   17.996  239.146   27.624  267.762   23.720   41.526   2.4882   44.236   1.9964 -2.710529 3.190117 
1 1 1   18    5  -49 o   28.807   1.4001  112.366   10.833   99.503   15.581  124.404   15.073   26.869   2.1777   30.159   1.8700 -3.289236 2.870381 
1 1 1   18    5  -48 o   23.457   1.8560   75.329   11.598   79.885   18.290   72.265   14.999   23.839   2.9174   22.799   2.4899 1.040491 3.835431 
1 1 1   18    5  -47 o   33.162   1.3813  148.727   12.303  146.885   15.730  151.629   19.745   32.830   1.7907   33.228   2.2253 -0.3976479 2.856283 
1 1 1   18    5  -46 o   17.550   1.9760   42.457   9.1523   39.735   13.109   45.046   12.783   16.686   3.0369   17.879   2.7502 -1.192574 4.097095 
1 1 1   18    5  -45 o   26.506   1.8731   95.999   13.250   30.260   36.963  105.691   14.193   15.817   6.1176   27.809   1.9118 -11.99211 6.409355 
1 1 1   18    5  -44 o   42.770   1.1159  246.726   12.819  264.837   18.496  229.989   17.781   44.222   1.5572   41.199   1.6069 3.023178 2.237639 
1 1 1   18    5  -43 o   34.874   1.3753  164.348   12.883  168.834   16.024  156.148   21.663   35.291   1.6905   33.698   2.4094 1.593723 2.943267 
1 1 1   18    5  -42 o   34.510   1.1821  160.620   10.957  161.618   15.456  159.611   15.537   34.545   1.6658   34.327   1.6851 0.2185936 2.369491 
1 1 1   18    5  -41 o   33.609   1.1852  152.285   10.699  132.217   14.777  174.397   15.511   31.192   1.7711   35.907   1.6083 -4.714949 2.392364 
1 1 1   18    5  -40 o   62.051   1.0310  518.498   17.184  479.853   23.706  561.284   24.944   59.608   1.4807   64.477   1.4403 -4.869370 2.065674 
1 1 1   18    5  -39 o   18.789   1.7424   48.151   8.6929   58.667   12.221   37.383   12.367   20.661   2.2380   16.282   2.9359 4.378870 3.691647 
1 1 1   18    5  -38 o   33.789   1.5045  154.107   13.655  159.788   18.364  147.081   20.421   34.283   2.0030   32.815   2.3321 1.468304 3.074203 
1 1 1   18    5  -37 o   38.545   1.1154  200.059   11.548  205.089   16.089  194.715   16.583   38.981   1.5367   37.971   1.6260 1.009991 2.237287 
1 1 1   18    5  -36 o   21.323   1.8535   61.937   10.510   89.820   19.668   50.794   12.434   25.483   2.9267   19.178   2.4714 6.305893 3.830562 
1 1 1   18    5  -35 o   42.339   1.0432  241.237   11.863  242.200   16.770  240.272   16.784   42.380   1.4732   42.210   1.4804 0.1698723 2.088537 
1 1 1   18    5  -34 o   55.399   1.1527  413.122   17.152  424.787   29.376  407.088   21.128   56.054   1.9512   54.958   1.4313 1.095863 2.419845 
1 1 1   18    5  -33 o   19.748   1.6301   52.948   8.5689   51.230   11.276   55.297   13.183   19.333   2.2113   20.040   2.5037 -0.7078133 3.340458 
1 1 1   18    5  -32 o   76.706   1.1917  791.791   24.552  776.162   29.892  824.198   43.043   75.905   1.4662   78.103   2.0519 -2.197929 2.521859 
1 1 1   18    5  -31 o   45.638   0.9947  280.067   12.193  273.458   17.026  287.026   17.470   45.067   1.4066   46.172   1.4087 -1.104340 1.990754 
1 1 1   18    5  -30 o   35.471   1.0532  169.190   10.034  164.426   13.907  174.362   14.492   34.946   1.4817   35.986   1.4994 -1.039288 2.107940 
1 1 1   18    5  -29 o   62.885   0.9842  531.610   16.623  526.981   23.517  536.232   23.500   62.578   1.3992   63.126   1.3860 -0.5480957 1.969463 
1 1 1   18    5  -28 o   55.768   0.9529  418.030   14.273  411.239   20.012  425.061   20.363   55.289   1.3476   56.210   1.3487 -0.9213715 1.906590 
1 1 1   18    5  -27 o  125.064   1.3482  2103.95   45.286  2096.49   63.884  2111.48   64.206  124.742   1.9067  125.186   1.9095 -0.4445267 2.698509 
1 1 1   18    5  -26 o   53.478   0.9543  384.364   13.708  382.056   19.100  386.814   19.684   53.298   1.3342   53.627   1.3666 -0.3288498 1.909917 
1 1 1   18    5  -25 o   74.845   1.0095  752.886   20.293  728.848   28.182  778.770   29.244   73.611   1.4254   76.089   1.4309 -2.478745 2.019750 
1 1 1   18    5  -24 o   31.072   1.5229  129.879   12.709  159.320   17.988  100.531   17.959   34.339   1.9584   27.186   2.4871 7.153164 3.165629 
1 1 1   18    5  -23 o   15.992   1.7127   34.809   7.2423   31.744   10.006   38.182   10.496   15.136   2.5521   16.657   2.4166 -1.521214 3.514723 
1 1 1   18    5  -22 o   94.857   1.1187  1209.34   28.501  1199.70   40.134  1219.16   40.482   94.440   1.5822   95.202   1.5832 -0.7627563 2.238255 
1 1 1   18    5  -21 o   25.798   1.1630   89.453   8.0583   79.479   11.407   99.391   11.386   24.241   1.7641   27.139   1.5686 -2.898550 2.360616 
1 1 1   18    5  -20 o   66.974   1.0163  602.725   18.282  600.810   24.232  605.255   27.855   66.853   1.3495   67.089   1.5458 -0.2363281 2.052008 
1 1 1   18    5  -19 o   99.929   1.3263  1342.25   35.597  1346.61   43.706  1333.65   61.352  100.069   1.6261   99.521   2.2952 0.5484924 2.812865 
1 1 1   18    5  -18 o   90.921   1.3675  1111.14   33.395  1124.74   43.207  1090.95   52.629   91.450   1.7591   90.032   2.1764 1.418556 2.798387 
1 1 1   18    5  -17 o  185.502   2.1314  4630.17  106.196  4741.35  186.495  4576.81  129.186  187.351   3.7061  184.341   2.6092 3.009491 4.532444 
1 1 1   18    5  -16 o   25.148   1.3756   85.248   9.2563   92.008   16.058   81.884   11.328   26.045   2.3198   24.618   1.7240 1.426592 2.890260 
1 1 1   18    5  -15 o   36.638   0.8726  180.325   8.5872  196.346   11.194  157.409   13.387   38.228   1.0902   34.223   1.4564 4.005543 1.819206 
1 1 1   18    5  -14 o   46.249   0.8077  287.311   10.033  283.743   11.674  297.393   19.623   45.959   0.9457   47.039   1.5531 -1.080524 1.818415 
1 1 1   18    5  -13 o   13.455   1.0237   24.461   3.6717   27.184   4.9888   21.242   5.4236   14.161   1.3271   12.461   1.6618 1.699881 2.126695 
1 1 1   18    5  -12 o   80.962   0.8072  880.459   17.553  884.740   24.873  876.212   24.776   81.151   1.1411   80.759   1.1422 0.3920898 1.614571 
1 1 1   18    5  -11 o   87.341   0.8414  1024.67   19.738  1044.92   28.107  1004.98   27.725   88.191   1.1866   86.489   1.1935 1.702011 1.682961 
1 1 1   18    5  -10 o  108.661   0.9687  1586.06   28.271  1577.63   39.907  1594.55   40.055  108.358   1.3712  108.938   1.3689 -0.5794678 1.937555 
1 1 1   18    5   -9 o  138.114   1.2166  2562.73   45.132  2597.78   67.573  2534.51   60.641  139.023   1.8096  137.330   1.6440 1.693115 2.444918 
1 1 1   18    5   -8 f  175.929   1.4928  4158.86   70.538  4283.23   97.149  4020.18  102.585  178.499   2.0263  172.914   2.2088 5.584641 2.997489 
1 1 1   18    5   -7 o   88.297   0.8497  1047.19   20.152  1072.59   28.836  1022.94   28.175   89.353   1.2015   87.261   1.2021 2.092712 1.699621 
1 1 1   18    5   -6 o   66.053   0.8527  586.036   15.128  585.317   20.421  586.910   22.522   66.008   1.1518   66.096   1.2686 -0.8761597E-01 1.713532 
1 1 1   18    5   -5 o   82.691   1.0081  918.498   22.391  897.084   36.391  931.542   28.403   81.705   1.6583   83.270   1.2699 -1.565125 2.088683 
1 1 1   18    5   -4 o   88.864   0.9857  1060.73   23.528  1118.80   36.506  1019.47   30.771   91.251   1.4895   87.111   1.3151 4.140167 1.987000 
1 1 1   18    5   -3 o  205.387   1.7985  5669.09   99.216  5708.90  157.702  5643.01  127.642  205.996   2.8503  204.865   2.3197 1.130798 3.674935 
1 1 1   18    5   -2 o   52.921   0.7798  376.159   11.084  373.117   16.023  378.952   15.350   52.702   1.1319   53.114   1.0760 -0.4112320 1.561743 
1 1 1   18    5   -1 o  199.110   1.6664  5327.32   89.120  5409.17  133.468  5261.47  119.718  200.562   2.4776  197.827   2.2531 2.734665 3.348911 
1 1 1   18    5    0 o   76.346   0.8276  782.883   16.971  788.487   25.455  778.398   22.771   76.612   1.2370   76.122   1.1137 0.4893570 1.664521 
1 1 1   18    5    1 o  108.319   1.0129  1576.05   29.468  1616.14   44.376  1544.42   39.412  109.674   1.5064  107.217   1.3686 2.456787 2.035296 
1 1 1   18    5    2 o  169.237   1.4426  3848.11   65.575  3842.55   97.180  3852.76   88.852  169.069   2.1400  169.307   1.9539 -0.2384796 2.897840 
1 1 1   18    5    3 o  256.567   2.1074  8848.82  145.224  8987.68  217.488  8737.08  195.088  258.420   3.1334  254.839   2.8502 3.580902 4.235785 
1 1 1   18    5    4 o  115.309   1.0605  1786.06   32.845  1752.85   48.295  1814.64   44.800  114.215   1.5743  116.215   1.4352 -2.000786 2.130332 
1 1 1   18    5    5 o  100.620   0.9652  1359.96   26.085  1380.07   35.561  1336.52   38.381  101.353   1.3063   99.737   1.4327 1.616043 1.938858 
1 1 1   18    5    6 o   57.658   0.7611  446.518   11.786  460.787   16.177  430.371   17.208   58.569   1.0283   56.601   1.1319 1.967442 1.529280 
1 1 1   18    5    7 o  170.913   1.7080  3925.67   78.409  3935.90   99.201  3908.63  127.996  171.100   2.1586  170.442   2.7959 0.6579437 3.532269 
1 1 1   18    5    8 f   81.380   0.8973  889.581   19.614  874.349   25.181  913.082   31.278   80.675   1.1621   82.436   1.4126 -1.760979 1.829182 
1 1 1   18    5    9 o   83.282   0.9656  931.684   21.600  946.265   29.225  914.129   32.067   83.923   1.2965   82.481   1.4475 1.441727 1.943220 
1 1 1   18    5   10 o   33.652   0.9031  152.114   8.1627  156.492   11.384  147.481   11.711   34.129   1.2418   33.131   1.3160 0.9979706 1.809440 
1 1 1   18    5   11 o  141.356   1.3048  2684.73   49.539  2667.69   63.623  2710.96   78.949  140.885   1.6813  141.993   2.0701 -1.108734 2.666863 
1 1 1   18    5   12 o   88.446   0.9909  1050.86   23.540  1026.47   31.026  1083.95   36.138   87.404   1.3216   89.811   1.4981 -2.407310 1.997743 
1 1 1   18    5   13 o   83.792   1.0749  943.238   24.192  999.703   37.543  903.145   31.635   86.243   1.6207   81.980   1.4367 4.263458 2.165861 
1 1 1   18    5   14 o   93.147   0.9254  1165.53   23.152  1174.72   31.320  1154.46   34.377   93.502   1.2471   92.687   1.3809 0.8150406 1.860692 
1 1 1   18    5   15 o  108.443   1.0698  1579.96   31.160  1566.01   43.712  1594.39   44.430  107.941   1.5077  108.914   1.5188 -0.9729919 2.140071 
1 1 1   18    5   16 o   30.027   0.8460  121.116   6.8233  125.387   9.0586  115.516   10.374   30.549   1.1040   29.319   1.3174 1.230120 1.718805 
1 1 1   18    5   17 o  212.278   1.7713  6059.71  100.995  6088.95  137.058  6024.96  149.395  212.672   2.3994  211.499   2.6299 1.172440 3.559973 
1 1 1   18    5   18 o   89.062   0.9552  1065.69   22.850  1075.11   32.387  1056.35   32.243   89.436   1.3482   88.652   1.3541 0.7841797 1.910851 
1 1 1   18    5   19 o   89.704   0.9100  1081.10   21.926  1078.79   29.520  1083.95   32.746   89.593   1.2267   89.799   1.3577 -0.2063675 1.829801 
1 1 1   18    5   20 o   90.730   0.9188  1106.03   22.391  1115.30   30.291  1094.87   33.246   91.092   1.2380   90.246   1.3716 0.8465042 1.847688 
1 1 1   18    5   21 o   41.144   1.0473  227.488   11.573  241.737   16.523  213.765   16.216   42.400   1.4509   39.869   1.5143 2.530724 2.097170 
1 1 1   18    5   22 o   41.885   0.8755  235.723   9.8494  245.364   12.428  219.445   16.150   42.728   1.0830   40.394   1.4885 2.333324 1.840797 
1 1 1   18    5   23 o   56.214   0.7737  424.546   11.682  421.183   15.562  428.887   17.681   55.981   1.0350   56.485   1.1654 -0.5040588 1.558651 
1 1 1   18    5   24 o   74.291   0.8317  741.580   16.596  741.216   22.398  742.022   24.713   74.257   1.1230   74.290   1.2385 -0.3284454E-01 1.671837 
1 1 1   18    5   25 o   57.617   0.7783  446.033   12.044  446.045   16.194  446.019   18.019   57.606   1.0466   57.599   1.1647 0.7545471E-02 1.565866 
1 1 1   18    5   26 o   39.883   0.8317  213.745   8.9097  213.605   11.920  213.923   13.413   39.861   1.1133   39.885   1.2520 -0.2425003E-01 1.675412 
1 1 1   18    5   27 o   58.926   0.7898  466.576   12.501  469.707   18.466  463.928   16.985   59.104   1.1632   58.745   1.0765 0.3595963 1.584878 
1 1 1   18    5   28 o   10.461   2.0097   15.248   5.4416   18.355   7.6209   12.016   7.7725   11.433   2.5470   9.3929   2.8398 2.039852 3.814654 
1 1 1   18    5   29 o   79.998   0.8678  860.122   18.646  847.009   27.090  871.926   25.703   79.350   1.2711   80.517   1.1885 -1.167259 1.740184 
1 1 1   18    5   30 o   62.236   0.7998  520.554   13.370  514.860   19.391  525.714   18.460   61.869   1.1669   62.523   1.0993 -0.6542625 1.603118 
1 1 1   18    5   31 o   96.846   0.9264  1260.98   24.098  1275.85   34.153  1246.24   34.007   97.362   1.3060   96.225   1.3158 1.137733 1.853911 
1 1 1   18    5   32 o   94.731   0.9587  1206.78   24.393  1210.49   36.171  1203.68   33.035   94.802   1.4205   94.557   1.3007 0.2447891 1.926097 
1 1 1   18    5   33 o   75.475   0.9653  766.163   19.569  770.304   29.509  762.912   26.146   75.608   1.4531   75.271   1.2933 0.3372726 1.945261 
1 1 1   18    5   34 o   11.466   1.9595   18.265   5.8179   16.678   7.4730   20.708   9.2697   10.865   2.5962   12.091   2.8931 -1.225934 3.887145 
1 1 1   18    5   35 o   21.163   1.1656   60.482   6.5995   54.479   8.4072   70.120   10.653   20.033   1.5752   22.717   1.7597 -2.683670 2.361714 
1 1 1   18    5   36 o   31.526   0.9931  133.739   8.4094  136.966   11.743  130.343   12.048   31.875   1.3717   31.089   1.4428 0.7863808 1.990794 
1 1 1   18    5   37 o   55.698   0.9341  417.391   13.973  415.827   18.640  419.397   21.113   55.553   1.2492   55.765   1.4096 -0.2127075 1.883510 
1 1 1   18    5   38 o   61.680   0.8073  511.668   13.375  510.162   18.632  513.269   19.212   61.547   1.1271   61.729   1.1588 -0.1821442 1.616494 
1 1 1   18    5   39 o   13.519   1.6310   25.052   5.8028   32.982   7.8698   15.603   8.5902   15.485   1.9343   10.517   2.9314 4.968493 3.512055 
1 1 1   18    5   40 o   41.750   0.8396  234.504   9.4152  237.969   12.958  230.628   13.704   42.024   1.1480   41.360   1.2336 0.6640205 1.685122 
1 1 1   18    5   41 o   16.492   1.4668   37.030   6.4296   28.239   8.5706   48.346   9.7236   14.218   2.3246   18.775   1.9569 -4.557095 3.038662 
1 1 1   18    5   42 o   52.198   0.9123  366.837   12.791  374.850   17.831  358.345   18.358   52.705   1.2596   51.518   1.3267 1.186924 1.829405 
1 1 1   18    5   43 o   48.668   0.8380  318.817   10.954  318.122   15.152  319.577   15.853   48.563   1.1616   48.664   1.2129 -0.1012077 1.679423 
1 1 1   18    5   44 o   59.400   0.8932  475.149   14.251  468.299   21.040  480.955   19.371   58.871   1.3306   59.693   1.2082 -0.8221664 1.797306 
1 1 1   18    5   45 o   36.526   0.9865  179.795   9.6778  211.042   13.910  150.476   13.474   39.520   1.3104   33.338   1.5047 6.181751 1.995320 
1 1 1   18    5   46 o   78.310   1.0018  826.586   21.071  844.518   26.792  797.513   34.114   79.070   1.2615   76.678   1.6565 2.392586 2.082141 
1 1 1   18    5   47 o   15.831   1.6069   34.317   6.7380   47.568   8.5912   13.139   10.861   18.639   1.7361   9.9865   3.3915 8.652051 3.810030 
1 1 1   18    5   48 o   48.878   0.8961  321.842   11.764  320.004   14.553  325.309   19.984   48.697   1.1126   48.998   1.5185 -0.3009148 1.882479 
1 1 1   18    5   49 o   53.429   0.9054  384.694   12.992  384.949   17.477  384.378   19.425   53.372   1.2192   53.293   1.3570 0.7934189E-01 1.824268 
1 1 1   18    5   50 o   24.045   1.4377   78.678   9.2427   87.043   12.617   68.988   13.579   25.182   1.8789   22.277   2.3026 2.905283 2.971883 
1 1 1   18    5   51 o   33.505   1.2040  151.963   10.835  152.768   15.151  151.120   15.502   33.424   1.6932   33.225   1.7432 0.1989212 2.430168 
1 1 1   18    5   52 o   29.532   1.3082  118.415   10.377  117.703   14.555  119.151   14.797   29.224   1.8640   29.396   1.8841 -0.1716843 2.650312 
1 1 1   18    5   53 o   9.2076   3.1077   11.715   9.1188   14.603   13.627   9.3744   12.271   10.443   3.7791   9.1650   3.5304 1.277638 5.171618 
1 1 1   18    5   54 o   18.427   2.0155   47.695   9.8128   40.335   15.318   52.818   12.779   16.182   3.6155   19.164   2.5457 -2.982758 4.421790 
1 1 1   18    5   55 o   21.083   2.3687   63.660   13.181   79.640   26.316   58.309   15.230   21.897   4.6198   19.840   2.9475 2.056437 5.479995 
1 1 1   18    6  -53 o   28.847   2.7720  119.834   21.213   0.0000   0.0000  119.834   21.213  ?   ?    28.847   2.7720 0.000000 2.771996 
1 1 1   18    6  -52 o   19.038   3.7730   55.097   18.611   0.0000   0.0000   55.097   18.611  ?   ?    19.038   3.7730 0.000000 3.772967 
1 1 1   18    6  -51 o   26.413   2.1789   97.073   15.320   99.482   23.389   95.262   20.276   26.106   3.4176   25.782   2.9831 0.3246861 4.536396 
1 1 1   18    6  -50 o   27.725   1.8494  105.565   13.693  113.619   20.048   98.524   18.747   28.444   2.6548   26.464   2.6741 1.980576 3.768190 
1 1 1   18    6  -49 o   34.865   1.5846  165.163   14.839  147.103   21.461  181.707   20.540   32.548   2.4734   36.348   2.1130 -3.800365 3.253057 
1 1 1   18    6  -48 o   12.744   2.7574   23.320   9.1643   26.986   12.742   19.391   13.191   13.580   3.4780   11.713   3.7260 1.866723 5.097061 
1 1 1   18    6  -47 o   35.348   1.6158  169.517   15.341  168.734   20.980  170.417   22.489   35.036   2.2413   35.153   2.3961 -0.1174316 3.280934 
1 1 1   18    6  -46 o   8.0675   2.9812   7.2713   8.5467   8.5589   12.226   6.0405   11.953   9.2000   3.5289   8.6420   3.4376 0.5579834 4.926454 
1 1 1   18    6  -45 o   26.566   1.4061   95.742   9.9973   88.669   14.082  102.929   14.195   25.410   2.0817   27.427   1.9394 -2.017307 2.845146 
1 1 1   18    6  -44 o   23.800   2.0113   77.717   12.737   41.970   35.356   83.049   13.654   17.119   6.0999   24.588   2.0871 -7.469780 6.447108 
1 1 1   18    6  -43 o   60.223   1.0549  488.974   17.064  487.311   24.210  490.617   24.055   60.000   1.5023   60.208   1.4875 -0.2077980 2.114114 
1 1 1   18    6  -42 o   26.516   1.5828   95.538   11.221   96.660   14.067   93.574   18.607   26.584   1.9845   25.951   2.7095 0.6324959 3.358477 
1 1 1   18    6  -41 o   38.692   1.1214  201.822   11.653  201.643   16.219  202.013   16.755   38.604   1.5642   38.630   1.6148 -0.2590942E-01 2.248193 
1 1 1   18    6  -40 o   30.487   1.2489  125.369   10.226  137.223   14.361  113.176   14.566   31.794   1.6877   28.825   1.8918 2.969532 2.535257 
1 1 1   18    6  -39 o   30.916   1.2407  128.873   10.303  137.177   14.295  119.896   14.862   31.800   1.6796   29.687   1.8736 2.113541 2.516196 
1 1 1   18    6  -38 o   28.612   1.2718  110.370   9.7739  105.532   13.437  115.807   14.243   27.865   1.8050   29.192   1.8258 -1.326401 2.567400 
1 1 1   18    6  -37 o   31.276   1.6257  132.510   13.609  132.349   17.990  132.724   20.809   31.154   2.1634   31.117   2.5112 0.3704453E-01 3.314549 
1 1 1   18    6  -36 o   15.524   2.0237   33.189   8.2374   46.756   11.502   18.901   11.803   18.398   2.3836   11.640   3.4950 6.758066 4.230416 
1 1 1   18    6  -35 o   21.776   1.8102   64.545   10.491   77.170   19.560   59.446   12.431   23.528   3.1765   20.811   2.2602 2.716957 3.898529 
1 1 1   18    6  -34 o   18.312   1.6826   45.656   8.1830   37.483   11.049   55.586   12.178   16.407   2.5935   20.115   2.2951 -3.708380 3.463213 
1 1 1   18    6  -33 o   33.720   1.2713  153.146   11.514  174.475   19.881  142.382   14.123   35.847   2.0737   32.484   1.6187 3.362663 2.630686 
1 1 1   18    6  -32 o   36.767   1.1154  181.913   11.015  188.001   14.815  174.387   16.472   37.348   1.4769   35.949   1.7059 1.399166 2.256411 
1 1 1   18    6  -31 o   33.417   1.2704  150.326   11.402  147.556   14.079  155.607   19.439   33.085   1.5843   33.856   2.1488 -0.7707939 2.669697 
1 1 1   18    6  -30 o   68.109   1.0039  623.818   18.366  612.984   25.792  634.963   26.158   67.469   1.4233   68.669   1.4182 -1.199600 2.009269 
1 1 1   18    6  -29 o   47.115   0.9656  298.450   12.219  304.016   17.404  293.040   17.160   47.526   1.3634   46.660   1.3693 0.8662376 1.932299 
1 1 1   18    6  -28 o   55.686   0.9648  416.870   14.430  419.973   20.270  413.681   20.548   55.866   1.3508   55.443   1.3799 0.4224434 1.931014 
1 1 1   18    6  -27 o   37.350   1.1032  187.577   11.068  192.126   17.297  184.424   14.401   37.768   1.7052   37.018   1.4484 0.7497063 2.237289 
1 1 1   18    6  -26 f   49.593   0.9479  330.577   12.626  360.282   18.218  303.120   17.515   51.754   1.3106   47.467   1.3738 4.286602 1.898690 
1 1 1   18    6  -25 o   59.470   0.9550  475.345   15.255  480.255   21.494  470.361   21.655   59.754   1.3392   59.133   1.3634 0.6204071 1.911133 
1 1 1   18    6  -24 o   28.977   1.1268  112.885   8.7697  123.026   12.451  102.900   12.354   30.198   1.5402   27.598   1.6745 2.599869 2.275125 
1 1 1   18    6  -23 o  106.893   1.7133  1538.00   49.190  1510.64   68.747  1566.71   70.414  105.818   2.4188  107.761   2.4328 -1.943207 3.430608 
1 1 1   18    6  -22 o  115.882   1.6143  1806.89   50.246  1874.70   65.968  1713.18   77.547  117.962   2.0821  112.674   2.5624 5.288361 3.301678 
1 1 1   18    6  -21 o   55.464   0.9342  413.380   13.917  424.579   19.799  402.442   19.568   56.194   1.3118   54.708   1.3317 1.485519 1.869240 
1 1 1   18    6  -20 o   59.643   0.9396  478.000   15.051  466.170   21.151  490.135   21.423   58.883   1.3374   60.379   1.3210 -1.495441 1.879800 
1 1 1   18    6  -19 o   56.473   0.9329  428.524   14.150  419.846   19.971  437.271   20.051   55.884   1.3305   57.032   1.3090 -1.148857 1.866471 
1 1 1   18    6  -18 o   77.039   1.0041  797.483   20.777  794.863   29.217  800.164   29.553   76.891   1.4147   77.146   1.4263 -0.2552490 2.008885 
1 1 1   18    6  -17 o   83.750   1.2046  942.657   27.096  947.865   33.299  932.450   46.616   83.965   1.4765   83.233   2.0852 0.7317657 2.555013 
1 1 1   18    6  -16 o   12.405   1.2153   20.877   3.9972   20.208   4.4010   24.029   9.5524   12.185   1.3684   13.104   2.7990 -0.9191475 3.115605 
1 1 1   18    6  -15 o   23.748   0.9631   75.772   6.1430   75.323   7.3228   76.841   11.286   23.676   1.1515   23.838   1.7755 -0.1621265 2.116204 
1 1 1   18    6  -14 o   59.705   0.7690  478.845   12.333  484.845   19.166  474.605   16.111   60.068   1.1879   59.435   1.0092 0.6329765 1.558757 
1 1 1   18    6  -13 o   65.728   0.8657  580.343   15.284  571.683   22.666  587.564   20.697   65.224   1.2938   66.128   1.1653 -0.9037552 1.741225 
1 1 1   18    6  -12 o  128.717   1.2090  2226.18   41.799  2219.32   58.990  2233.09   59.236  128.485   1.7094  128.883   1.7112 -0.3979340 2.418695 
1 1 1   18    6  -11 o   99.426   1.0084  1328.04   26.930  1329.94   38.106  1326.15   38.065   99.480   1.4261   99.338   1.4266 0.1416245 2.017233 
1 1 1   18    6  -10 o  293.113   2.3938 11559.38  188.457 11497.19  278.579 11611.85  255.901  292.000   3.5520  293.551   3.2456 -1.550629 4.811513 
1 1 1   18    6   -9 o  204.781   1.8935  5637.91  104.149  5564.33  138.559  5733.49  157.909  203.350   2.5369  206.365   2.8489 -3.014709 3.814709 
1 1 1   18    6   -8 o   83.732   0.8647  941.752   19.447  933.959   32.472  946.110   24.284   83.368   1.4502   83.920   1.0774 -0.5522842 1.806583 
1 1 1   18    6   -7 o   43.972   0.7435  259.709   8.7813  265.332   14.970  256.759   10.843   44.439   1.2542   43.720   0.9234 0.7192345 1.557417 
1 1 1   18    6   -6 o  125.636   1.1296  2120.53   38.118  2168.67   57.439  2082.64   50.954  127.027   1.6835  124.491   1.5239 2.536102 2.270797 
1 1 1   18    6   -5 o  141.829   1.2442  2702.56   47.395  2698.31   78.692  2704.98   59.371  141.665   2.0681  141.876   1.5580 -0.2104340 2.589325 
1 1 1   18    6   -4 o   83.982   1.0921  947.484   24.635  954.344   46.963  944.880   28.936   84.251   2.0754   83.861   1.2846 0.3892441 2.440785 
1 1 1   18    6   -3 o  138.783   1.2824  2587.75   47.801  2594.31   75.817  2583.42   61.583  138.914   2.0320  138.647   1.6537 0.2666779 2.619889 
1 1 1   18    6   -2 o   36.080   0.7609  174.847   7.3734  179.079   11.997  172.278   9.3470   36.510   1.2235   35.812   0.9717 0.6974068 1.562408 
1 1 1   18    6   -1 o   69.270   0.7653  644.493   14.239  660.157   22.414  633.892   18.438   70.099   1.1904   68.694   0.9993 1.404961 1.554282 
1 1 1   18    6    0 o   56.525   0.7307  429.137   11.093  449.782   17.655  415.668   14.260   57.863   1.1360   55.628   0.9544 2.234894 1.483699 
1 1 1   18    6    1 o   67.400   0.7585  610.162   13.731  618.291   21.525  604.584   17.830   67.840   1.1813   67.088   0.9895 0.7526169 1.540985 
1 1 1   18    6    2 o  149.976   1.2485  3021.89   50.291  3078.29   78.688  2982.95   65.388  151.326   1.9360  148.985   1.6341 2.340958 2.533417 
1 1 1   18    6    3 o  117.071   1.0283  1841.11   32.333  1816.49   49.744  1859.12   42.547  116.263   1.5930  117.630   1.3467 -1.367470 2.085920 
1 1 1   18    6    4 o  188.999   1.5241  4800.07   77.371  4820.79  120.123  4785.38  101.145  189.324   2.3623  188.668   1.9960 0.6566315 3.092610 
1 1 1   18    6    5 o   41.014   0.8602  225.951   9.4755  226.866   14.117  225.201   12.783   41.092   1.2791   40.943   1.1624 0.1494904 1.728357 
1 1 1   18    6    6 o   49.592   0.8410  330.343   11.201  326.698   14.943  335.020   16.924   49.313   1.1282   49.935   1.2618 -0.6219139 1.692616 
1 1 1   18    6    7 o  154.852   1.3403  3221.95   55.744  3231.45   82.636  3214.00   75.513  155.033   1.9845  154.628   1.8182 0.4051666 2.691507 
1 1 1   18    6    8 o   79.511   0.8528  849.194   18.212  875.670   27.257  827.843   24.478   80.730   1.2571   78.498   1.1610 2.232918 1.711163 
1 1 1   18    6    9 o  123.725   1.1772  2056.66   39.121  2051.28   55.126  2062.12   55.526  123.537   1.6614  123.863   1.6690 -0.3254013 2.354968 
1 1 1   18    6   10 o  174.247   1.6399  4081.03   76.749  4129.78  103.604  4021.75  114.257  175.224   2.2014  172.883   2.4606 2.340668 3.301576 
1 1 1   18    6   11 o   86.060   1.0323  994.993   23.861  1021.67   38.896  978.895   30.215   87.181   1.6611   85.351   1.3180 1.829727 2.120452 
1 1 1   18    6   12 o   80.165   1.0588  863.395   22.797  864.039   30.097  862.527   34.917   80.183   1.3975   80.103   1.6229 0.7997131E-01 2.141685 
1 1 1   18    6   13 o   80.549   0.9028  871.612   19.533  886.857   25.246  848.874   30.831   81.243   1.1569   79.473   1.4444 1.770142 1.850592 
1 1 1   18    6   14 o  166.049   1.4933  3706.21   66.601  3693.23   93.923  3719.33   94.457  165.683   2.1106  166.266   2.1151 -0.5837097 2.988027 
1 1 1   18    6   15 o   53.725   0.8013  387.743   11.562  407.798   16.411  367.973   16.293   55.090   1.1091   52.330   1.1592 2.760406 1.604328 
1 1 1   18    6   16 o   28.721   0.8605  110.815   6.6383  117.668   8.8488  101.994   10.040   29.592   1.1133   27.547   1.3569 2.045198 1.755201 
1 1 1   18    6   17 o   85.825   0.8899  989.604   20.514  987.516   27.638  992.165   30.612   85.720   1.2004   85.914   1.3266 -0.1945267 1.789088 
1 1 1   18    6   18 o   62.680   0.7838  527.802   13.196  508.595   17.500  553.120   20.092   61.521   1.0591   64.153   1.1660 -2.632122 1.575203 
1 1 1   18    6   19 o   18.634   1.1447   46.843   5.7015   48.106   7.4541   45.062   8.8509   18.856   1.4838   18.208   1.8348 0.6481400 2.359723 
1 1 1   18    6   20 o   68.192   0.8981  624.812   16.449  637.982   22.049  608.286   24.700   68.893   1.1916   67.261   1.3672 1.632172 1.813623 
1 1 1   18    6   21 o   68.876   0.8176  637.384   15.125  630.706   20.201  645.904   22.816   68.502   1.0979   69.315   1.2255 -0.8133316 1.645401 
1 1 1   18    6   22 o   97.076   1.0075  1266.52   26.270  1262.14   36.870  1271.04   37.441   96.873   1.4170   97.212   1.4340 -0.3395233 2.015977 
1 1 1   18    6   23 o   52.861   0.8543  375.468   12.130  393.482   15.921  350.543   18.728   54.104   1.0956   51.053   1.3658 3.050533 1.750877 
1 1 1   18    6   24 o   56.910   0.8576  435.206   13.109  447.846   17.940  420.722   19.203   57.716   1.1572   55.934   1.2782 1.781853 1.724265 
1 1 1   18    6   25 o   50.692   0.9207  345.354   12.536  351.255   18.714  340.552   16.884   51.101   1.3635   50.323   1.2492 0.7780380 1.849189 
1 1 1   18    6   26 f   59.677   0.8204  478.577   13.150  484.174   18.353  472.671   18.852   60.008   1.1387   59.288   1.1838 0.7200279 1.642589 
1 1 1   18    6   27 o   46.012   0.7989  284.505   9.8732  285.976   13.617  282.874   14.336   46.118   1.0993   45.864   1.1638 0.2541771 1.600908 
1 1 1   18    6   28 o   90.025   0.9238  1089.43   22.337  1085.42   30.126  1094.33   33.290   89.825   1.2487   90.177   1.3745 -0.3518982 1.856969 
1 1 1   18    6   29 o   12.947   1.5637   22.905   5.3277   19.298   7.1209   27.492   8.0296   11.745   2.3395   14.103   2.1908 -2.358562 3.205172 
1 1 1   18    6   30 o   42.944   0.7728  247.867   8.9140  248.897   12.284  246.722   12.955   43.018   1.0632   42.826   1.1263 0.1923027 1.548814 
1 1 1   18    6   31 o   33.544   0.8315  151.270   7.4917  160.216   10.340  141.385   10.869   34.508   1.1156   32.409   1.2486 2.098885 1.674444 
1 1 1   18    6   32 o   53.806   0.8984  389.310   12.983  376.561   16.774  408.361   20.504   52.892   1.1808   55.056   1.3866 -2.164089 1.821200 
1 1 1   18    6   33 o   10.631   2.2522   15.887   6.2309   24.341   8.4670   5.9004   9.2025   13.180   2.4828   7.9734   3.0609 5.206950 3.941228 
1 1 1   18    6   34 o   77.438   1.0457  807.029   21.751  801.987   30.929  811.962   30.594   77.110   1.4933   77.594   1.4680 -0.4836960 2.094025 
1 1 1   18    6   35 o   20.850   1.2856   58.803   7.1647   60.463   9.3881   56.488   11.087   21.093   1.6708   20.318   2.0601 0.7741299 2.652478 
1 1 1   18    6   36 o   35.202   0.8904  166.707   8.4184  182.280   11.584  149.279   12.255   36.787   1.1724   33.272   1.3713 3.514427 1.804185 
1 1 1   18    6   37 o   35.855   0.8496  172.935   8.1822  180.262   11.198  164.541   11.985   36.583   1.1397   34.938   1.2771 1.644855 1.711699 
1 1 1   18    6   38 o   27.008   1.0269   98.214   7.4494   98.507   10.715   97.939   10.364   26.971   1.4848   26.900   1.4397 0.7125664E-01 2.068189 
1 1 1   18    6   39 o   24.568   1.1216   81.322   7.4013   79.224   10.645   83.284   10.297   24.148   1.6512   24.777   1.5552 -0.6295338 2.268323 
1 1 1   18    6   40 o   23.275   1.1001   72.998   6.8769   71.366   9.2440   75.020   10.291   22.930   1.5094   23.490   1.6414 -0.5601006 2.229869 
1 1 1   18    6   41 o   33.019   0.9104  146.792   8.0741  150.380   11.154  142.842   11.702   33.384   1.2440   32.524   1.3396 0.8597107 1.828142 
1 1 1   18    6   42 o   23.829   1.2349   76.847   7.8764   85.150   11.555   69.641   10.764   24.998   1.7317   22.584   1.7893 2.414358 2.490034 
1 1 1   18    6   43 o   18.354   1.4089   45.817   6.8924   29.080   9.3862   65.404   10.154   14.357   2.5264   21.885   1.7418 -7.527949 3.068660 
1 1 1   18    6   44 o   35.079   0.9729  165.825   9.1662  162.990   12.581  169.033   13.383   34.722   1.3490   35.349   1.4095 -0.6269913 1.950989 
1 1 1   18    6   45 o   43.124   0.8945  250.497   10.361  256.805   14.357  243.641   14.967   43.607   1.2258   42.457   1.3125 1.149723 1.795855 
1 1 1   18    6   46 o   37.512   0.9236  189.582   9.3053  184.154   11.504  199.854   15.826   36.937   1.1596   38.406   1.5342 -1.469639 1.923080 
1 1 1   18    6   47 o   21.879   1.3323   64.967   7.7921   64.736   9.1292   65.586   14.955   21.795   1.5700   21.664   2.6237 0.1314754 3.057540 
1 1 1   18    6   48 o   17.691   1.5224   42.745   7.1636   34.505   8.7324   59.701   12.526   15.748   2.1182   20.740   2.2867 -4.991939 3.117022 
1 1 1   18    6   49 o   17.425   1.7712   41.782   8.1745   28.737   10.903   58.527   12.353   14.097   2.9732   20.511   2.2809 -6.414394 3.747374 
1 1 1   18    6   50 o   39.534   1.0529  211.148   11.180  225.610   15.514  195.523   16.126   40.768   1.4168   37.902   1.5841 2.866138 2.125222 
1 1 1   18    6   51 o   14.364   2.5582   29.601   9.5079   19.361   14.281   37.754   12.743   11.620   3.8893   16.073   3.0635 -4.453181 4.950923 
1 1 1   18    6   52 o   8.2790   3.0466   8.2888   8.9095  -2.4952   11.650   23.481   13.828   7.0044   3.1076   12.458   3.7925 -5.453460 4.903061 
1 1 1   18    6   53 o   15.098   2.9302   33.723   11.454   44.050   24.342   30.786   12.981   16.175   5.0507   14.194   3.4407 1.980932 6.111275 
1 1 1   18    6   54 o   14.048   3.3949   30.461   12.667   24.221   18.595   35.865   17.303   12.487   4.4265   14.863   4.1667 -2.376017 6.079062 
1 1 1   18    6   55 o   16.243   3.5139   41.384   14.885   57.063   19.573   19.880   22.922   18.775   4.0036   11.882   4.7494 6.892987 6.211762 
1 1 1   18    7  -52 o   28.985   2.6548  120.214   20.438   0.0000   0.0000  120.214   20.438  ?   ?    28.985   2.6548 0.000000 2.654800 
1 1 1   18    7  -51 o   48.525   2.1135  326.363   27.546   0.0000   0.0000  326.363   27.546  ?   ?    48.525   2.1135 0.000000 2.113479 
1 1 1   18    7  -50 o   28.465   2.0239  112.078   15.372  136.182   23.703   94.580   20.196   30.945   2.8850   25.699   2.9812 5.246174 4.148595 
1 1 1   18    7  -49 f   22.047   2.1955   67.547   12.828   66.453   19.191   68.430   17.248   21.354   3.4646   21.878   3.0153 -0.5233173 4.592987 
1 1 1   18    7  -48 o   41.351   1.4553  231.908   16.163  213.756   23.067  249.417   22.655   39.401   2.1883   42.708   1.9750 -3.307388 2.947721 
1 1 1   18    7  -47 o   7.3712   2.9000   4.6218   8.4199   7.3075   11.097   0.9781   12.926   8.6643   3.3518   8.0144   3.4149 0.6499605 4.784976 
1 1 1   18    7  -46 o   44.211   1.3233  264.328   15.713  278.586   23.280  252.396   21.296   45.216   1.9169   43.062   1.8413 2.153751 2.657973 
1 1 1   18    7  -45 o   35.438   1.2035  169.599   11.455  139.717   16.263  199.021   16.138   31.978   1.9021   38.315   1.5681 -6.336845 2.465154 
1 1 1   18    7  -44 o   17.329   2.0351   41.499   9.2919   41.135   13.503   41.827   12.806   16.960   3.0776   17.167   2.8793 -0.2062225 4.214495 
1 1 1   18    7  -43 o   13.223   2.9026   25.106   10.026   1.5094   17.455   36.725   12.249   9.2938   3.9644   16.047   2.9506 -6.753119 4.941940 
1 1 1   18    7  -42 o   35.425   1.1840  169.382   11.265  165.746   15.899  173.048   15.964   34.951   1.6937   35.719   1.6640 -0.7678986 2.374325 
1 1 1   18    7  -41 o   22.355   1.7527   68.215   10.440   68.680   12.945   67.350   17.655   22.333   2.1861   21.848   3.0953 0.4848042 3.789427 
1 1 1   18    7  -40 o   19.509   1.6839   51.941   8.7371   48.385   12.404   55.442   12.308   18.632   2.5453   20.020   2.3327 -1.388350 3.452506 
1 1 1   18    7  -39 o   19.558   1.7146   52.189   8.9159   42.492   12.597   61.925   12.621   17.391   2.7911   21.206   2.2504 -3.814617 3.585304 
1 1 1   18    7  -38 o   23.281   1.4348   73.464   8.9284   71.681   12.358   75.411   12.914   22.890   2.0311   23.475   2.0693 -0.5845127 2.899541 
1 1 1   18    7  -37 o   8.3946   2.9077   8.7684   7.9939   4.9801   10.906   13.166   11.751   8.2212   3.2794   10.195   3.5257 -1.973470 4.815084 
1 1 1   18    7  -36 o   36.943   1.4742  184.225   14.628  186.579   19.077  180.867   22.787   37.064   1.9229   36.392   2.3438 0.6725159 3.031624 
1 1 1   18    7  -35 o   15.564   2.0501   33.385   8.3613   27.436   11.322   40.522   12.400   13.879   3.1139   17.007   2.8129 -3.128404 4.196282 
1 1 1   18    7  -34 o   6.3389   2.8246  -3.6569   9.7301 -34.0500   16.781   11.736   11.943   6.0403   2.9695   9.9190   3.5441 -3.878669 4.623654 
1 1 1   18    7  -33 o   30.095   1.1863  121.976   9.5887  125.183   13.484  118.696   13.638   30.403   1.6576   29.592   1.7233 0.8108368 2.391109 
1 1 1   18    7  -32 o   78.955   1.2218  839.529   25.911  835.856   44.478  841.415   31.878   78.566   2.1078   78.987   1.5026 -0.4212418 2.588521 
1 1 1   18    7  -31 o   43.477   1.1320  254.410   13.218  263.919   20.633  247.790   17.215   44.216   1.7374   42.872   1.4950 1.343578 2.292064 
1 1 1   18    7  -30 o   16.730   1.9773   38.336   8.7133   40.993   10.700   33.105   15.013   17.238   2.3739   15.240   3.7040 1.997665 4.399408 
1 1 1   18    7  -29 o   13.436   2.0963   24.967   7.3181   28.652   10.226   21.098   10.477   14.293   2.7637   12.221   3.1662 2.072034 4.202728 
1 1 1   18    7  -28 o   67.428   0.9967  611.356   18.051  627.755   25.643  595.246   25.416   68.285   1.3981   66.490   1.4232 1.794594 1.995046 
1 1 1   18    7  -27 o   67.970   0.9890  621.146   18.055  620.413   25.480  621.886   25.587   67.892   1.3973   67.972   1.4015 -0.8005524E-01 1.979053 
1 1 1   18    7  -26 o   40.521   0.9997  220.746   10.880  242.578   15.555  199.832   15.224   42.458   1.3640   38.530   1.4711 3.928371 2.006179 
1 1 1   18    7  -25 o   15.495   1.7451   32.746   7.1361   34.283   9.9099   31.090   10.285   15.753   2.4196   14.944   2.6598 0.8090801 3.595706 
1 1 1   18    7  -24 o   39.339   0.9854  208.013   10.411  206.124   14.691  209.919   14.758   39.142   1.3974   39.501   1.3910 -0.3590584 1.971648 
1 1 1   18    7  -23 o   75.552   1.0111  767.264   20.518  737.583   28.622  798.641   29.429   74.043   1.4392   77.048   1.4221 -3.005363 2.023270 
1 1 1   18    7  -22 o   17.055   1.9111   39.669   8.6039   24.040   14.103   48.934   10.859   13.155   3.7869   18.928   2.1754 -5.773611 4.367224 
1 1 1   18    7  -21 o  155.180   2.0177  3244.35   84.097  3211.11  107.813  3296.00  134.395  154.220   2.6028  156.031   3.2069 -1.810776 4.130188 
1 1 1   18    7  -20 o   16.196   1.9467   35.830   8.2987   42.864   10.122   21.404   14.495   17.703   2.1744   12.575   3.8927 5.127548 4.458855 
1 1 1   18    7  -19 o   47.465   0.9244  302.735   11.785  292.390   16.513  313.472   16.823   46.632   1.3184   48.285   1.2972 -1.652817 1.849575 
1 1 1   18    7  -18 o   51.690   0.8437  358.992   11.714  351.464   15.198  370.008   18.385   51.137   1.1065   52.460   1.3048 -1.323441 1.710799 
1 1 1   18    7  -17 o   50.130   0.7797  337.620   10.498  333.342   12.935  345.874   17.968   49.807   0.9669   50.722   1.3189 -0.9150505 1.635391 
1 1 1   18    7  -16 o   66.784   0.9998  599.318   17.935  600.509   21.087  596.204   34.101   66.843   1.1745   66.560   1.9075 0.2833252 2.240072 
1 1 1   18    7  -15 o   72.781   0.8096  711.624   15.826  734.277   23.939  694.037   21.093   73.914   1.2058   71.866   1.0928 2.048836 1.627331 
1 1 1   18    7  -14 o   11.546   1.3153   18.150   4.0060   16.326   6.1004   19.532   5.3117   10.821   2.1744   11.931   1.7062 -1.110026 2.763885 
1 1 1   18    7  -13 o  162.655   1.4627  3556.61   63.902  3527.82  116.064  3569.13   76.548  161.805   2.6706  162.906   1.7495 -1.100784 3.192636 
1 1 1   18    7  -12 o  151.900   1.3804  3101.31   56.319  3053.61  101.939  3122.27   67.567  150.579   2.5205  152.385   1.6508 -1.806046 3.012988 
1 1 1   18    7  -11 o  149.869   1.6316  3019.74   65.679  2899.14  119.699  3071.69   78.562  146.645   3.0390  151.119   1.9355 -4.473679 3.603036 
1 1 1   18    7  -10 o   91.293   1.0111  1119.72   24.792  1116.58   36.999  1122.28   33.398   91.142   1.5114   91.382   1.3607 -0.2404099 2.033708 
1 1 1   18    7   -9 o  121.588   1.1012  1986.30   35.963  1975.98   53.370  1994.87   48.674  121.238   1.6389  121.827   1.4875 -0.5890274 2.213325 
1 1 1   18    7   -8 o   77.724   0.8001  811.481   16.703  832.039   26.403  797.762   21.568   78.690   1.2492   77.058   1.0421 1.631310 1.626795 
1 1 1   18    7   -7 o   84.791   0.8362  965.763   19.044  994.352   30.099  946.678   24.593   86.022   1.3027   83.942   1.0908 2.080002 1.699083 
1 1 1   18    7   -6 o   72.888   0.8140  713.621   15.936  725.749   27.016  707.149   19.735   73.489   1.3687   72.552   1.0127 0.9374161 1.702647 
1 1 1   18    7   -5 o  140.121   1.2941  2638.21   48.703  2620.14   76.920  2650.31   62.922  139.582   2.0517  140.416   1.6684 -0.8342133 2.644439 
1 1 1   18    7   -4 o   64.870   0.8195  565.260   14.278  565.471   23.045  565.128   18.190   64.871   1.3226   64.858   1.0442 0.1277161E-01 1.685128 
1 1 1   18    7   -3 o  135.331   1.3249  2460.95   48.160  2505.81   84.540  2439.39   58.597  136.482   2.3062  134.719   1.6194 1.763336 2.817964 
1 1 1   18    7   -2 o  106.424   1.1091  1521.64   31.703  1530.35   47.995  1514.91   42.226  106.702   1.6747  106.173   1.4807 0.5294800 2.235415 
1 1 1   18    7   -1 o  166.625   1.4948  3731.18   66.900  3710.68  105.561  3744.94   86.486  166.080   2.3664  166.893   1.9294 -0.8135071 3.053271 
1 1 1   18    7    0 o   82.648   1.0159  917.625   22.552  911.158   32.117  923.914   31.675   82.342   1.4522   82.918   1.4222 -0.5754929 2.032637 
1 1 1   18    7    1 o   33.489   0.8076  150.648   7.2643  166.930   11.285  139.128   9.4925   35.248   1.1920   32.181   1.0982 3.067802 1.620772 
1 1 1   18    7    2 o   61.160   0.7727  502.431   12.692  519.084   19.290  489.716   16.855   62.158   1.1554   60.376   1.0394 1.781532 1.554116 
1 1 1   18    7    3 o   38.741   0.8421  201.604   8.7629  211.750   12.358  191.343   12.428   39.700   1.1589   37.737   1.2261 1.962414 1.687148 
1 1 1   18    7    4 o   75.170   0.8267  759.010   16.692  772.681   25.062  748.112   22.377   75.834   1.2305   74.622   1.1165 1.212166 1.661484 
1 1 1   18    7    5 o   80.828   0.9020  877.621   19.581  886.678   27.926  868.860   27.464   81.233   1.2799   80.413   1.2716 0.8200684 1.804184 
1 1 1   18    7    6 o  126.364   1.0908  2145.27   37.023  2159.07   57.498  2135.50   48.388  126.734   1.6892  126.057   1.4292 0.6763992 2.212629 
1 1 1   18    7    7 o  178.422   1.5154  4278.66   72.623  4308.44  107.986  4254.07   98.130  178.956   2.2466  177.849   2.0543 1.107101 3.044235 
1 1 1   18    7    8 o   66.576   0.8023  595.385   14.346  608.694   21.409  584.538   19.328   67.307   1.1842   65.960   1.0910 1.346519 1.610168 
1 1 1   18    7    9 o   57.105   0.8051  438.040   12.348  433.198   17.498  442.844   17.428   56.781   1.1473   57.410   1.1302 -0.6290817 1.610510 
1 1 1   18    7   10 o   22.217   1.1306   66.493   6.7243   66.912   9.5518   66.082   9.4681   22.252   1.6090   22.113   1.6050 0.1389160 2.272691 
1 1 1   18    7   11 o  113.752   1.1071  1738.62   33.826  1745.15   47.810  1732.07   47.865  113.937   1.5623  113.509   1.5700 0.4282913 2.214878 
1 1 1   18    7   12 o   70.859   0.8544  674.520   16.261  682.908   25.397  668.693   21.168   71.282   1.3265   70.544   1.1172 0.7377930 1.734290 
1 1 1   18    7   13 o   84.095   0.8821  950.083   19.924  918.070   28.935  978.947   27.475   82.648   1.3035   85.350   1.1985 -2.701500 1.770735 
1 1 1   18    7   14 o   28.880   0.9259  112.057   7.1821  103.600   9.6959  122.339   10.691   27.763   1.3003   30.169   1.3193 -2.406080 1.852387 
1 1 1   18    7   15 o   64.338   0.8306  556.110   14.353  561.486   20.297  550.733   20.299   64.637   1.1691   64.014   1.1806 0.6223907 1.661543 
1 1 1   18    7   16 o   51.280   0.7644  353.264   10.529  365.414   14.177  338.322   15.722   52.147   1.0122   50.172   1.1667 1.975246 1.544538 
1 1 1   18    7   17 o   30.876   0.8481  128.082   7.0329  127.028   9.3970  129.423   10.604   30.743   1.1380   31.028   1.2724 -0.2854176 1.707068 
1 1 1   18    7   18 o   25.065   0.9329   84.423   6.2806   91.249   8.2892   75.222   9.6238   26.054   1.1845   23.600   1.5264 2.454718 1.932118 
1 1 1   18    7   19 o   40.982   0.8730  225.672   9.6096  215.296   12.549  240.382   14.942   40.020   1.1674   42.282   1.3157 -2.261848 1.758999 
1 1 1   18    7   20 o   41.660   0.8287  233.192   9.2728  234.766   12.933  231.527   13.302   41.790   1.1522   41.499   1.1934 0.2907791 1.658879 
1 1 1   18    7   21 o  142.331   1.3230  2724.35   50.577  2729.33   71.536  2719.36   71.518  142.364   1.8708  142.103   1.8738 0.2607880 2.647842 
1 1 1   18    7   22 o   66.176   0.9470  588.559   16.832  589.367   26.758  588.030   21.652   66.184   1.5052   66.131   1.2190 0.5379486E-01 1.936937 
1 1 1   18    7   23 o   48.663   0.8126  318.204   10.621  322.227   14.556  313.623   15.533   48.957   1.1070   48.295   1.1975 0.6624146 1.630754 
1 1 1   18    7   24 o   58.241   0.9111  455.880   14.253  469.240   19.893  441.790   20.430   59.068   1.2539   57.309   1.3273 1.758801 1.825906 
1 1 1   18    7   25 o   67.736   0.8578  616.616   15.606  622.317   21.450  610.205   22.747   68.027   1.1740   67.355   1.2574 0.6720123 1.720231 
1 1 1   18    7   26 o   74.542   0.8775  746.832   17.568  758.497   22.924  730.231   27.348   75.101   1.1364   73.664   1.3822 1.436935 1.789404 
1 1 1   18    7   27 o   17.279   1.2520   40.380   5.7710   37.598   7.4377   44.590   9.1482   16.620   1.6897   18.083   1.9125 -1.463964 2.552017 
1 1 1   18    7   28 o   48.444   0.7923  315.426   10.309  326.226   13.805  301.814   15.498   49.252   1.0436   47.362   1.2183 1.890560 1.604183 
1 1 1   18    7   29 o   37.601   0.8467  190.068   8.5516  185.131   10.698  198.804   14.232   37.098   1.0736   38.424   1.3791 -1.325260 1.747721 
1 1 1   18    7   30 o   40.885   0.8495  224.738   9.3287  225.641   11.797  223.229   15.241   40.953   1.0725   40.708   1.3939 0.2447395 1.758722 
1 1 1   18    7   31 o   22.870   1.1933   70.601   7.3043   73.289   9.1233   65.803   12.191   23.272   1.4671   21.956   2.0925 1.316347 2.555592 
1 1 1   18    7   32 o   31.137   0.9786  130.437   8.1845  135.316   11.430  125.302   11.725   31.689   1.3428   30.487   1.4319 1.202185 1.963053 
1 1 1   18    7   33 o   82.161   0.9078  908.047   20.034  897.117   29.286  917.659   27.465   81.586   1.3365   82.535   1.2389 -0.9495392 1.822384 
1 1 1   18    7   34 o   20.069   1.1573   54.424   6.2116   56.410   8.0899   51.571   9.6956   20.393   1.4872   19.434   1.8810 0.9591885 2.397863 
1 1 1   18    7   35 o   23.451   1.1575   74.075   7.2906   65.056   10.320   83.061   10.301   21.863   1.7727   24.754   1.5573 -2.891787 2.359573 
1 1 1   18    7   36 o   40.423   0.8688  219.833   9.4328  209.225   13.449  230.102   13.233   39.396   1.2710   41.324   1.1923 -1.928143 1.742697 
1 1 1   18    7   37 o   62.638   0.8019  527.762   13.492  518.011   18.725  538.290   19.457   62.009   1.1243   63.207   1.1461 -1.198254 1.605459 
1 1 1   18    7   38 o   35.453   0.8806  169.150   8.3857  177.908   11.490  159.167   12.267   36.330   1.1775   34.346   1.3297 1.984138 1.776126 
1 1 1   18    7   39 o   46.738   0.8148  293.915   10.229  299.339   14.140  287.961   14.815   47.127   1.1171   46.211   1.1936 0.9160805 1.634787 
1 1 1   18    7   40 o   29.185   1.1270  114.841   8.8342  113.306   13.815  115.903   11.490   28.848   1.7919   29.280   1.4611 -0.4319038 2.312029 
1 1 1   18    7   41 o   39.633   1.0872  211.798   11.574  191.580   17.639  227.084   15.338   37.576   1.7477   40.986   1.3932 -3.410519 2.235067 
1 1 1   18    7   42 o   36.589   0.9052  180.317   8.8960  180.812   12.112  179.737   13.109   36.593   1.2323   36.467   1.3384 0.1266556 1.819289 
1 1 1   18    7   43 o   20.569   1.3122   57.411   7.2118   55.626   9.6334   59.687   10.878   20.153   1.7986   20.843   1.9663 -0.6898556 2.664778 
1 1 1   18    7   44 o   36.341   0.9793  178.007   9.5583  194.184   12.440  154.693   14.934   37.917   1.2215   33.765   1.6467 4.152855 2.050310 
1 1 1   18    7   45 o   24.993   1.0930   84.278   7.3376   74.854   9.0969  101.826   12.414   23.470   1.4502   27.333   1.6993 -3.862871 2.233984 
1 1 1   18    7   46 o   23.215   1.1685   72.951   7.2626   72.333   9.1043   74.032   12.044   23.062   1.4776   23.226   1.9486 -0.1641464 2.445446 
1 1 1   18    7   47 o   8.5110   2.6856   9.9403   6.8634   15.259   9.0879   2.8794   10.471   10.357   3.0568   7.6207   3.1483 2.736115 4.388124 
1 1 1   18    7   48 o   35.908   1.0946  174.129   10.557  181.598   14.559  165.849   15.329   36.586   1.4816   34.925   1.6341 1.660717 2.205810 
1 1 1   18    7   49 f   23.241   1.5487   73.775   9.6124   79.682   12.043   63.407   15.955   24.065   1.8781   21.097   2.8918 2.967993 3.448104 
1 1 1   18    7   50 o   34.807   1.2722  164.331   11.894  167.740   15.412  159.310   18.702   35.053   1.6370   33.942   2.0612 1.110764 2.632206 
1 1 1   18    7   51 o   5.6458   2.5961  -5.8766   9.0343  -2.2672   13.951  -8.4834   11.856   7.7067   3.4108   6.3298   2.9331 1.376975 4.498477 
1 1 1   18    7   52 o   10.285   3.3816   15.345   10.810   16.600   23.163   14.995   12.223   11.837   4.7591   10.320   3.5943 1.516972 5.963885 
1 1 1   18    7   53 o   7.7086   3.4486  -2.8699   14.659  -8.2400   17.596   9.3130   26.503   7.8643   3.6188   11.221   4.8374 -3.356268 6.041193 
1 1 1   18    7   54 o   15.211   3.2620   35.663   12.927   13.620   18.503   56.684   18.069   10.583   4.2540   18.984   3.6764 -8.401128 5.622532 
1 1 1   18    8  -52 o   8.7209   4.1229 -18.7300   25.477   0.0000   0.0000 -18.7300   25.477  ?   ?    8.7209   4.1229 0.000000 4.122941 
1 1 1   18    8  -51 o   10.917   4.2154   14.891   17.527   0.0000   0.0000   14.891   17.527  ?   ?    10.917   4.2154 0.000000 4.215379 
1 1 1   18    8  -50 o   27.690   2.4440  108.078   17.991  127.500   44.731  104.330   19.650   26.873   6.3059   27.039   2.7437 -0.1664448 6.876910 
1 1 1   18    8  -49 o   38.989   1.6853  207.715   17.648  209.005   26.881  206.738   23.398   38.572   2.6100   38.569   2.2686 0.3471375E-02 3.458135 
1 1 1   18    8  -48 o   13.897   3.2344   28.372   11.847   1.0834   17.754   50.275   15.906   9.1916   3.9610   18.583   3.3080 -9.391080 5.160625 
1 1 1   18    8  -47 o   9.3237   3.4285   10.284   11.280   23.757   16.547  -1.4122   15.418   12.854   4.1816   8.3372   3.6410 4.517129 5.544630 
1 1 1   18    8  -46 o   35.337   1.4147  169.141   13.427  183.510   20.744  158.780   17.615   36.555   2.1219   34.059   1.9335 2.495319 2.870734 
1 1 1   18    8  -45 o   24.939   1.8490   85.134   12.298   91.742   18.135   79.509   16.732   25.640   2.6726   23.857   2.6563 1.782873 3.768133 
1 1 1   18    8  -44 o   21.813   1.6454   64.938   9.5689   64.415   13.580   65.453   13.486   21.536   2.3879   21.722   2.3489 -0.1861877 3.349501 
1 1 1   18    8  -43 o   13.096   2.6224   24.437   8.9024   22.415   12.875   26.290   12.323   12.454   3.6278   13.435   3.4093 -0.9810677 4.978390 
1 1 1   18    8  -42 o   40.099   1.2511  217.233   13.474  198.476   21.786  228.852   17.147   38.053   2.1403   41.091   1.5536 -3.037464 2.644696 
1 1 1   18    8  -41 o   29.286   1.3249  115.924   10.422  101.373   14.641  130.869   14.838   27.199   2.0184   30.984   1.7906 -3.784678 2.698211 
1 1 1   18    8  -40 o   47.924   1.2127  310.022   15.610  315.276   19.320  300.145   26.492   48.266   1.4903   46.916   2.1023 1.350082 2.576957 
1 1 1   18    8  -39 o   16.659   2.0224   38.288   8.8633   39.615   11.855   36.606   13.347   16.777   2.7243   15.981   3.2207 0.7954683 4.218357 
1 1 1   18    8  -38 o   10.004   2.8071   14.145   7.8499   3.5335   10.669   26.667   11.591   7.8532   3.2035   13.621   3.2191 -5.768165 4.541454 
1 1 1   18    8  -37 f   29.032   1.2590  113.683   9.8172  108.717   13.479  119.293   14.327   28.274   1.7841   29.617   1.8097 -1.343090 2.541251 
1 1 1   18    8  -36 f   58.124   1.0182  454.920   15.896  454.590   22.290  455.261   22.676   58.028   1.4301   58.066   1.4540 -0.3767776E-01 2.039415 
1 1 1   18    8  -35 o   51.288   1.3699  354.872   18.871  368.919   24.730  335.289   29.199   52.215   1.7633   49.678   2.1883 2.537415 2.810341 
1 1 1   18    8  -34 o   36.435   1.2042  178.876   11.784  184.423   15.200  170.520   18.657   36.957   1.5313   35.421   1.9688 1.536041 2.494154 
1 1 1   18    8  -33 o   15.392   2.5172   33.066   10.047   44.070   16.865   27.013   12.509   17.542   3.6960   13.742   3.4061 3.800348 5.026128 
1 1 1   18    8  -32 o   17.269   1.7782   40.732   8.1296   37.155   11.052   44.950   12.001   16.323   2.6087   18.001   2.5537 -1.678272 3.650573 
1 1 1   18    8  -31 o   26.185   1.3045   92.386   9.1747   80.965   13.137  103.260   12.818   24.374   2.0251   27.594   1.7384 -3.219694 2.668914 
1 1 1   18    8  -30 o   78.741   1.2154  834.875   25.705  862.073   44.708  821.445   31.416   79.806   2.0857   78.050   1.4986 1.755188 2.568296 
1 1 1   18    8  -29 o   48.478   1.1229  316.273   14.621  313.698   18.131  321.064   24.727   48.252   1.3989   48.751   1.8884 -0.4982491 2.350163 
1 1 1   18    8  -28 o   48.879   0.9726  321.310   12.769  323.514   17.947  319.050   18.171   49.012   1.3633   48.670   1.3900 0.3420181 1.947020 
1 1 1   18    8  -27 o   76.958   1.0330  796.526   21.353  791.438   30.083  801.692   30.313   76.656   1.4611   77.150   1.4628 -0.4947510 2.067550 
1 1 1   18    8  -26 o   71.796   1.0065  693.127   19.410  717.002   27.714  670.140   27.193   72.978   1.4139   70.550   1.4351 2.427757 2.014585 
1 1 1   18    8  -25 o   91.597   1.1108  1128.33   27.329  1120.35   38.467  1136.45   38.833   91.208   1.5702   91.860   1.5739 -0.6522751 2.223239 
1 1 1   18    8  -24 o  104.439   1.1928  1467.05   33.461  1451.85   47.005  1482.67   47.644  103.819   1.6857  104.913   1.6908 -1.094879 2.387517 
1 1 1   18    8  -23 o   85.902   1.0695  992.107   24.675  1025.53   35.365  960.402   34.445   87.287   1.5084   84.469   1.5182 2.818283 2.140175 
1 1 1   18    8  -22 o   32.428   1.0449  141.365   9.1007  137.880   12.800  144.928   12.942   32.009   1.4889   32.818   1.4682 -0.8088036 2.091033 
1 1 1   18    8  -21 o   86.608   1.1477  1008.53   26.699  1036.29   41.557  989.024   34.840   87.722   1.7638   85.730   1.5130 1.992523 2.323838 
1 1 1   18    8  -20 o   57.310   1.0896  441.522   16.773  454.443   29.404  435.291   20.421   58.084   1.8847   56.889   1.3364 1.194721 2.310478 
1 1 1   18    8  -19 o   17.017   1.3327   39.183   6.0425   40.091   6.6147   34.607   14.851   17.203   1.4450   15.663   3.6049 1.539893 3.883726 
1 1 1   18    8  -18 o   26.583   1.0610   94.981   7.5753   92.553   8.4826  104.541   16.835   26.237   1.2037   27.753   2.2785 -1.515280 2.576918 
1 1 1   18    8  -17 o   75.254   0.9221  761.004   18.637  722.722   27.232  794.729   25.560   73.308   1.3831   76.884   1.2378 -3.575920 1.856053 
1 1 1   18    8  -16 o   86.585   0.8453  1007.31   19.658  1000.09   30.616  1012.37   25.642   86.244   1.3217   86.788   1.1000 -0.5439377 1.719565 
1 1 1   18    8  -15 o  136.845   1.2677  2517.53   46.594  2522.72   66.278  2512.45   65.516  136.913   1.8023  136.637   1.7852 0.2763367 2.536790 
1 1 1   18    8  -14 f  164.143   1.4751  3623.15   65.035  3702.15   93.426  3548.87   90.586  165.809   2.0978  162.344   2.0774 3.464569 2.952392 
1 1 1   18    8  -13 o  100.061   1.0089  1345.39   27.114  1340.67   49.440  1347.42   32.426   99.816   1.8441  100.124   1.2058 -0.3076096 2.203306 
1 1 1   18    8  -12 o   34.906   0.7976  163.689   7.4778  168.964   10.894  158.990   10.283   35.458   1.1439   34.396   1.1131 1.061829 1.596049 
1 1 1   18    8  -11 o  104.466   1.1033  1466.52   30.957  1509.35   41.961  1415.37   45.857  105.954   1.4745  102.587   1.6643 3.367325 2.223481 
1 1 1   18    8  -10 o   88.622   0.9857  1055.26   23.463  1088.93   41.152  1039.04   28.561   89.982   1.7027   87.928   1.2093 2.054146 2.088463 
1 1 1   18    8   -9 o  101.429   1.0717  1382.37   29.196  1408.01   50.912  1369.80   35.639  102.310   1.8527  100.953   1.3143 1.356995 2.271576 
1 1 1   18    8   -8 o   53.778   0.8151  388.511   11.773  397.575   20.512  384.057   14.378   54.386   1.4042   53.465   1.0012 0.9207954 1.724592 
1 1 1   18    8   -7 o   36.689   0.8901  180.831   8.7716  224.479   19.142  169.230   9.8688   40.857   1.7443   35.490   1.0353 5.367111 2.028427 
1 1 1   18    8   -6 o   72.392   0.8533  703.997   16.592  721.724   24.049  687.894   22.921   73.285   1.2218   71.548   1.1927 1.737144 1.707425 
1 1 1   18    8   -5 o  142.707   1.1972  2736.57   45.889  2742.03   65.016  2731.16   64.778  142.807   1.6950  142.523   1.6922 0.2830353 2.395135 
1 1 1   18    8   -4 o  118.776   1.0378  1895.43   33.107  1895.47   46.844  1895.38   46.797  118.751   1.4687  118.749   1.4672 0.2593994E-02 2.075989 
1 1 1   18    8   -3 o   66.596   0.7861  595.752   14.060  601.059   21.075  591.495   18.875   66.882   1.1732   66.351   1.0591 0.5308838 1.580526 
1 1 1   18    8   -2 o   79.310   0.8431  844.970   17.961  861.395   27.018  831.965   24.042   80.064   1.2564   78.689   1.1375 1.375221 1.694869 
1 1 1   18    8   -1 o   36.025   0.8751  174.344   8.4675  151.043   15.473  184.306   10.117   33.473   1.7269   37.038   1.0169 -3.565563 2.004097 
1 1 1   18    8    0 o   59.420   0.7630  474.268   12.177  456.156   18.073  489.326   16.479   58.266   1.1549   60.351   1.0166 -2.084747 1.538574 
1 1 1   18    8    1 o   80.895   0.8508  879.068   18.485  874.029   25.121  885.019   27.299   80.653   1.1596   81.155   1.2524 -0.5019608 1.706835 
1 1 1   18    8    2 o   48.909   0.7845  321.318   10.305  328.953   13.682  311.311   15.665   49.482   1.0295   48.133   1.2117 1.348999 1.589979 
1 1 1   18    8    3 o   37.168   0.7654  185.565   7.6409  186.722   10.593  184.311   11.032   37.280   1.0580   37.037   1.1089 0.2422791 1.532654 
1 1 1   18    8    4 o   46.744   0.7773  293.510   9.7594  288.812   12.696  300.296   15.259   46.364   1.0195   47.274   1.2017 -0.9090195 1.575914 
1 1 1   18    8    5 o   57.190   0.7295  439.337   11.206  438.156   15.960  440.486   15.739   57.107   1.0405   57.259   1.0234 -0.1520424 1.459455 
1 1 1   18    8    6 o  108.181   0.9721  1572.30   28.245  1585.40   40.149  1559.46   39.744  108.609   1.3763  107.717   1.3737 0.8918915 1.944553 
1 1 1   18    8    7 o   90.506   0.9505  1100.50   23.106  1143.44   33.474  1061.42   31.933   92.236   1.3512   88.867   1.3378 3.368858 1.901455 
1 1 1   18    8    8 o  165.382   1.4186  3676.53   63.015  3653.30   84.958  3704.94   93.954  164.796   1.9194  165.928   2.1081 -1.132050 2.851028 
1 1 1   18    8    9 o  102.033   1.0817  1398.89   29.643  1411.04   44.584  1389.26   39.685  102.440   1.6204  101.658   1.4534 0.7812729 2.176722 
1 1 1   18    8   10 o   79.233   0.8923  843.424   18.990  825.202   26.618  862.311   27.099   78.357   1.2648   80.099   1.2596 -1.742683 1.785017 
1 1 1   18    8   11 o   73.042   0.9123  716.797   17.898  722.592   24.133  709.714   26.682   73.324   1.2254   72.661   1.3672 0.6632919 1.835966 
1 1 1   18    8   12 o   45.700   0.7790  280.563   9.5618  278.489   13.963  282.395   13.121   45.522   1.1420   45.842   1.0656 -0.3202629 1.561992 
1 1 1   18    8   13 o   32.948   0.9233  145.863   8.1707  153.652   11.764  138.603   11.357   33.808   1.2955   32.110   1.3168 1.698753 1.847273 
1 1 1   18    8   14 f   77.447   0.8528  805.869   17.740  814.938   26.226  798.218   24.087   77.861   1.2541   77.063   1.1637 0.7976913 1.710809 
1 1 1   18    8   15 o   55.555   0.8708  414.695   12.994  403.297   18.959  424.793   17.845   54.770   1.2888   56.216   1.1819 -1.445591 1.748643 
1 1 1   18    8   16 o   22.995   1.1156   71.071   6.8899   72.389   10.712   70.142   8.9982   23.128   1.7371   22.789   1.4781 0.3390923 2.280812 
1 1 1   18    8   17 o   42.981   0.8673  248.233   10.012  258.500   16.256  241.956   12.709   43.843   1.3805   42.427   1.1153 1.415874 1.774692 
1 1 1   18    8   18 o   52.744   0.8977  373.831   12.717  395.643   17.747  350.812   18.231   54.247   1.2180   51.075   1.3290 3.171379 1.802690 
1 1 1   18    8   19 o   46.102   0.7993  285.581   9.8979  300.918   13.634  268.493   14.392   47.314   1.0729   44.687   1.1991 2.626953 1.608979 
1 1 1   18    8   20 o   95.771   0.9519  1232.72   24.486  1256.71   33.291  1204.44   36.142   96.668   1.2822   94.622   1.4221 2.046753 1.914763 
1 1 1   18    8   21 o   60.078   0.7887  484.998   12.727  470.760   16.887  503.719   19.364   59.177   1.0624   61.206   1.1779 -2.029457 1.586257 
1 1 1   18    8   22 o   71.101   0.8719  679.396   16.651  693.812   23.461  664.762   23.636   71.827   1.2161   70.305   1.2517 1.522705 1.745183 
1 1 1   18    8   23 o   8.7958   2.3214   10.820   5.5645   14.636   7.0650   4.5853   9.0306   10.209   2.5764   7.6511   3.0054 2.557952 3.958628 
1 1 1   18    8   24 o   40.020   0.8086  215.241   8.6922  218.018   11.424  211.423   13.395   40.268   1.0563   39.644   1.2580 0.6235199 1.642610 
1 1 1   18    8   25 o   77.965   0.9133  817.112   19.125  795.541   26.402  840.929   27.743   76.894   1.2784   79.054   1.3066 -2.159782 1.827930 
1 1 1   18    8   26 o   40.313   0.9442  218.496   10.224  220.604   12.217  213.566   18.679   40.498   1.1231   39.803   1.7472 0.6955719 2.077039 
1 1 1   18    8   27 o   25.663   1.1189   88.600   7.7126   90.647   8.6287   80.464   17.200   25.953   1.2378   24.213   2.6902 1.739851 2.961320 
1 1 1   18    8   28 o   35.794   0.8536  172.249   8.2060  175.526   10.578  167.296   13.005   36.120   1.0903   35.245   1.3738 0.8755608 1.753868 
1 1 1   18    8   29 o   14.983   1.4872   30.553   5.9057   29.199   7.4961   32.769   9.5891   14.569   1.9658   15.369   2.4015 -0.7996235 3.103498 
1 1 1   18    8   30 o   71.538   0.9433  688.398   18.124  672.150   23.878  710.482   27.838   70.645   1.2584   72.601   1.4276 -1.956581 1.903066 
1 1 1   18    8   31 o   43.805   0.8785  258.085   10.336  259.142   14.355  256.946   14.896   43.864   1.2184   43.672   1.2699 0.1917572 1.759898 
1 1 1   18    8   32 o   26.358   0.9810   93.491   6.9450   95.803   9.0214   90.127   10.881   26.665   1.2596   25.791   1.5784 0.8739605 2.019423 
1 1 1   18    8   33 o   34.355   0.8591  158.760   7.9274  161.362   10.653  155.531   11.867   34.613   1.1459   33.968   1.3007 0.6454124 1.733469 
1 1 1   18    8   34 o   30.886   0.9358  128.371   7.7629  120.602   10.179  139.169   12.001   29.912   1.2670   32.119   1.3911 -2.207809 1.881626 
1 1 1   18    8   35 o   36.642   0.8485  180.625   8.3511  202.306   11.517  156.590   12.127   38.755   1.1065   34.074   1.3250 4.680721 1.726256 
1 1 1   18    8   36 f   31.577   0.9056  134.187   7.6802  142.050   10.364  124.611   11.438   32.464   1.1886   30.384   1.4015 2.079475 1.837695 
1 1 1   18    8   37 f   67.444   0.8725  612.146   15.804  622.187   23.262  603.537   21.539   67.914   1.2752   66.906   1.1986 1.008224 1.750098 
1 1 1   18    8   38 o   41.818   0.9638  235.494   10.825  229.345   16.928  239.749   14.080   41.182   1.5304   42.156   1.2436 -0.9730759 1.971920 
1 1 1   18    8   39 o   39.736   0.8717  212.564   9.3033  221.272   13.061  203.596   13.255   40.498   1.2008   38.836   1.2707 1.661972 1.748312 
1 1 1   18    8   40 o   19.623   1.4451   52.362   7.5628   51.823   9.8534   53.136   11.798   19.430   1.9128   19.589   2.2854 -0.1582909 2.980282 
1 1 1   18    8   41 o   10.431   2.3377   15.476   6.3874   15.369   8.2899   15.632   10.020   10.380   2.8748   10.551   3.2317 -0.1711721 4.325311 
1 1 1   18    8   42 o   43.705   0.9714  257.446   11.402  265.006   15.764  249.150   16.513   44.273   1.3257   42.904   1.4330 1.369148 1.952151 
1 1 1   18    8   43 o   37.943   1.0318  194.153   10.515  198.950   14.335  188.567   15.470   38.344   1.3919   37.297   1.5443 1.046467 2.079010 
1 1 1   18    8   44 o   22.121   1.2507   66.331   7.4004   64.911   9.3314   68.739   12.149   21.817   1.6037   22.350   2.0465 -0.5331841 2.600024 
1 1 1   18    8   45 o   45.354   0.8445  277.051   10.288  277.127   13.221  276.933   16.380   45.318   1.0862   45.244   1.3479 0.7422638E-01 1.731094 
1 1 1   18    8   46 o   22.671   1.2377   69.684   7.5082   69.472   9.1586   70.117   13.111   22.583   1.5188   22.517   2.1959 0.6618500E-01 2.669959 
1 1 1   18    8   47 o   32.754   1.1200  144.929   9.8527  149.313   13.079  139.177   14.981   33.176   1.4678   31.915   1.7544 1.260561 2.287430 
1 1 1   18    8   48 o   28.834   1.2048  112.513   9.3306  111.597   12.553  113.644   13.948   28.577   1.6423   28.786   1.8132 -0.2081585 2.446460 
1 1 1   18    8   49 o   22.272   1.6549   68.091   9.8288   64.472   14.619   71.076   13.278   21.332   2.6057   22.567   2.2193 -1.235510 3.422676 
1 1 1   18    8   50 o   18.628   1.8236   48.125   9.0069   52.404   12.598   43.651   12.882   19.190   2.5039   17.338   2.8664 1.851868 3.806059 
1 1 1   18    8   51 o   15.813   2.8794   36.760   11.779   35.551   19.059   37.508   14.983   14.866   4.4361   15.614   3.6398 -0.7478189 5.738217 
1 1 1   18    8   52 o   21.960   2.9543   71.010   16.983   72.849   20.893   67.430   29.158   21.723   3.7143   19.478   5.3905 2.244968 6.546280 
1 1 1   18    8   53 o   10.769   3.9426   16.848   14.894   3.8976   19.237   36.230   23.534   9.4071   4.0883   14.427   4.9895 -5.019702 6.450493 
1 1 1   18    9  -51 o   12.622   4.2157   25.057   16.779   0.0000   0.0000   25.057   16.779  ?   ?    12.622   4.2157 0.000000 4.215734 
1 1 1   18    9  -50 o   21.801   3.2408   70.447   18.399   0.0000   0.0000   70.447   18.399  ?   ?    21.801   3.2408 0.000000 3.240797 
1 1 1   18    9  -49 o   31.705   1.7749  138.449   15.054  135.039   21.271  141.871   21.307   30.883   2.5882   31.698   2.5235 -0.8158455 3.614846 
1 1 1   18    9  -48 o   11.837   3.5050   20.707   11.932   16.583   16.819   24.886   16.930   11.320   4.1824   12.946   4.2307 -1.626163 5.949016 
1 1 1   18    9  -47 o   52.188   1.3411  369.314   18.799  370.670   27.232  368.080   25.983   52.007   1.9495   51.869   1.8650 0.1378937 2.697922 
1 1 1   18    9  -46 o   21.731   2.1259   65.369   12.249   66.023   17.608   64.757   17.051   21.474   3.1462   21.294   3.0699 0.1799793 4.395809 
1 1 1   18    9  -45 o   27.532   1.6280  103.332   11.985  104.435   19.110  102.617   15.387   27.356   2.6333   27.297   2.1153 0.5905342E-01 3.377675 
1 1 1   18    9  -44 o   23.766   1.9458   77.544   12.312   78.505   17.611   76.624   17.218   23.634   2.8307   23.356   2.8005 0.2774162 3.981926 
1 1 1   18    9  -43 o   23.974   1.5146   78.212   9.7028   76.617   13.514   79.909   13.940   23.569   2.1587   24.067   2.1801 -0.4987488 3.068058 
1 1 1   18    9  -42 o   25.085   1.5351   85.625   10.293   57.927   14.535  113.489   14.579   20.298   2.7357   28.802   1.8951 -8.503761 3.328020 
1 1 1   18    9  -41 o   24.237   1.7157   80.191   11.096   78.323   18.260   81.284   13.972   23.585   2.9469   24.287   2.1646 -0.7025108 3.656437 
1 1 1   18    9  -40 o   13.422   2.4305   25.450   8.4394   17.730   11.879   33.318   11.992   11.240   3.5312   15.239   3.0365 -3.999528 4.657258 
1 1 1   18    9  -39 o   31.848   1.3791  137.151   11.797  144.875   14.582  122.521   20.069   32.640   1.6689   29.762   2.5347 2.877899 3.034815 
1 1 1   18    9  -38 o   35.248   1.1991  167.656   11.352  170.122   15.702  164.955   16.431   35.431   1.6500   34.824   1.7625 0.6073761 2.414286 
1 1 1   18    9  -37 o   31.890   1.1860  137.169   10.159  128.101   13.888  147.606   14.899   30.705   1.6905   32.966   1.6884 -2.261776 2.389192 
1 1 1   18    9  -36 o   18.065   1.7984   44.656   8.6100   39.274   11.763   50.867   12.637   16.726   2.7113   19.133   2.5203 -2.407473 3.701714 
1 1 1   18    9  -35 o   58.182   1.0287  455.899   16.076  452.071   22.551  459.854   22.923   57.856   1.4512   58.349   1.4627 -0.4932899 2.060418 
1 1 1   18    9  -34 o   70.892   1.2048  677.415   22.942  686.038   28.182  660.474   39.500   71.278   1.4721   69.737   2.1088 1.540779 2.571807 
1 1 1   18    9  -33 o   38.014   1.1973  194.733   12.224  201.961   15.826  184.044   19.246   38.671   1.5237   36.800   1.9542 1.871590 2.478035 
1 1 1   18    9  -32 o   5.2909   2.4968 -10.3141   9.2658  -5.9364   14.885 -13.0837   11.839   7.7546   3.4716   5.9772   2.8212 1.777364 4.473387 
1 1 1   18    9  -31 o   30.957   1.1686  129.084   9.7166  130.467   13.940  127.777   13.551   31.028   1.6789   30.710   1.6488 0.3175640 2.353195 
1 1 1   18    9  -30 o   36.911   1.0728  183.402   10.636  181.459   15.156  185.287   14.929   36.669   1.5389   37.058   1.4998 -0.3892975 2.148856 
1 1 1   18    9  -29 o   57.465   1.1463  444.596   17.692  453.063   30.244  440.192   21.814   57.872   1.9457   57.141   1.4213 0.7311592 2.409573 
1 1 1   18    9  -28 o   37.134   1.1772  185.646   11.741  180.685   14.468  195.215   20.093   36.609   1.4714   37.944   1.9784 -1.334148 2.465570 
1 1 1   18    9  -27 o   67.429   0.9903  611.579   17.936  608.056   25.269  615.156   25.462   67.181   1.4004   67.572   1.4029 -0.3906708 1.982242 
1 1 1   18    9  -26 o   38.217   1.0218  196.448   10.489  189.227   14.809  203.718   14.859   37.477   1.4712   38.889   1.4225 -1.412498 2.046434 
1 1 1   18    9  -25 o   33.459   1.0725  150.581   9.6386  149.663   13.514  151.532   13.751   33.332   1.5095   33.538   1.5266 -0.2062492 2.146856 
1 1 1   18    9  -24 o   12.996   2.1524   23.409   7.2500   24.749   10.247   22.066   10.259   13.247   2.9551   12.500   3.0764 0.7474203 4.265774 
1 1 1   18    9  -23 o   25.616   1.2054   88.270   8.2937  105.932   11.809   71.083   11.650   28.001   1.5766   22.879   1.9134 5.122021 2.479297 
1 1 1   18    9  -22 o   34.837   1.0340  163.176   9.6753  163.385   13.554  162.960   13.815   34.840   1.4484   34.793   1.4783 0.4704285E-01 2.069653 
1 1 1   18    9  -21 o   58.999   0.8690  467.820   13.771  455.809   17.945  485.024   21.477   58.220   1.1476   60.043   1.3317 -1.822868 1.757951 
1 1 1   18    9  -20 o   86.913   0.9926  1015.43   23.172  1021.73   34.795  1010.40   31.062   87.131   1.4868   86.665   1.3344 0.4664078 1.997826 
1 1 1   18    9  -19 o   75.813   0.9819  772.555   19.994  784.902   32.385  764.949   25.417   76.363   1.5790   75.417   1.2548 0.9451370 2.016819 
1 1 1   18    9  -18 f   67.992   0.7978  621.187   14.569  629.726   21.832  614.331   19.561   68.435   1.1877   67.600   1.0773 0.8342896 1.603553 
1 1 1   18    9  -17 o   93.692   1.0214  1179.91   25.704  1150.01   34.428  1217.57   38.636   92.463   1.3863   95.125   1.5122 -2.662407 2.051443 
1 1 1   18    9  -16 o  114.467   1.1695  1761.59   35.956  1726.42   53.652  1790.27   48.446  113.239   1.7640  115.345   1.5637 -2.105927 2.357322 
1 1 1   18    9  -15 o  102.987   1.0808  1425.66   29.896  1421.76   45.087  1428.73   39.937  102.786   1.6332  103.061   1.4428 -0.2750320 2.179156 
1 1 1   18    9  -14 o   94.293   1.0928  1195.09   27.675  1185.83   35.048  1210.43   45.106   93.901   1.3896   94.828   1.7709 -0.9268799 2.251075 
1 1 1   18    9  -13 o   95.044   1.0987  1214.17   28.047  1213.98   35.498  1214.48   45.753   95.012   1.3910   94.989   1.7933 0.2323914E-01 2.269570 
1 1 1   18    9  -12 o   26.253   0.8427   92.607   5.9426   97.452   7.6419   85.194   9.4519   26.928   1.0566   25.131   1.4059 1.796886 1.758698 
1 1 1   18    9  -11 o   45.200   0.7415  274.468   9.0021  269.970   13.444  278.125   12.121   44.818   1.1168   45.494   0.9919 -0.6756706 1.493704 
1 1 1   18    9  -10 o   52.923   0.7421  376.271   10.548  382.404   14.329  369.014   15.585   53.345   1.0000   52.399   1.1074 0.9459381 1.492112 
1 1 1   18    9   -9 o  145.795   1.2754  2857.37   49.945  2887.58   74.607  2832.84   67.233  146.479   1.8963  145.110   1.7250 1.368652 2.563526 
1 1 1   18    9   -8 o   22.283   0.9486   66.715   5.6771   54.583   8.4793   76.571   7.6429   20.084   1.5848   23.868   1.1922 -3.784855 1.983129 
1 1 1   18    9   -7 o   47.468   0.7493  302.685   9.5525  300.914   14.424  304.069   12.749   47.319   1.1349   47.570   0.9978 -0.2512894 1.511161 
1 1 1   18    9   -6 o  116.487   1.0237  1823.30   32.030  1822.08   45.341  1824.53   45.253  116.415   1.4501  116.493   1.4463 -0.7855225E-01 2.048032 
1 1 1   18    9   -5 o  143.354   1.2563  2762.08   48.371  2733.08   71.407  2786.67   65.756  142.528   1.8653  143.941   1.7008 -1.412430 2.524313 
1 1 1   18    9   -4 o   53.947   0.7755  390.955   11.237  397.734   17.777  386.444   14.501   54.400   1.2166   53.629   1.0067 0.7712936 1.579148 
1 1 1   18    9   -3 o   40.796   0.7708  223.575   8.4454  229.077   13.292  219.850   10.937   41.286   1.1986   40.450   1.0067 0.8357162 1.565281 
1 1 1   18    9   -2 o   18.280   1.1811   45.096   5.7681   53.077   9.9047   41.000   7.0954   19.773   1.8879   17.395   1.5344 2.377989 2.432802 
1 1 1   18    9   -1 o   41.592   0.8163  232.398   9.1187  240.203   15.751  228.464   11.184   42.272   1.3873   41.235   1.0098 1.036736 1.715842 
1 1 1   18    9    0 o   70.613   0.9369  669.911   17.769  738.730   36.571  648.643   20.330   74.106   1.8374   69.478   1.0895 4.628113 2.136071 
1 1 1   18    9    1 o  131.470   1.2951  2323.14   45.733  2339.40   79.426  2315.07   55.936  131.821   2.2433  131.214   1.5872 0.6062775 2.747983 
1 1 1   18    9    2 o   83.332   1.0086  933.045   22.575  922.729   31.795  943.532   32.059   82.849   1.4289   83.778   1.4247 -0.9289474 2.017776 
1 1 1   18    9    3 o   88.195   1.0479  1045.18   24.824  1006.04   39.673  1070.36   31.824   86.488   1.7078   89.236   1.3278 -2.747932 2.163242 
1 1 1   18    9    4 o   34.922   0.8064  163.838   7.5639  169.767   11.870  159.785   9.8148   35.541   1.2435   34.484   1.0597 1.056980 1.633745 
1 1 1   18    9    5 o   80.333   0.9374  867.055   20.227  912.088   35.768  845.885   24.524   82.355   1.6170   79.337   1.1509 3.018440 1.984750 
1 1 1   18    9    6 o   83.705   0.9079  941.369   20.412  928.979   31.990  949.878   26.509   83.125   1.4328   84.070   1.1740 -0.9450073 1.852351 
1 1 1   18    9    7 o   55.359   0.7872  411.704   11.705  431.749   18.694  398.776   15.012   56.677   1.2280   54.476   1.0260 2.200394 1.600216 
1 1 1   18    9    8 o   17.078   1.3633   39.460   6.2012   41.639   11.185   38.493   7.4513   17.408   2.4607   16.834   1.6700 0.5734882 2.973899 
1 1 1   18    9    9 o  147.332   1.4232  2918.63   56.318  2932.48   84.505  2907.57   75.538  147.572   2.1320  146.982   1.9134 0.5896912 2.864708 
1 1 1   18    9   10 o   89.024   0.9950  1064.98   23.791  1082.34   35.682  1051.08   31.922   89.713   1.4808   88.419   1.3442 1.294533 1.999901 
1 1 1   18    9   11 o   68.453   0.9393  629.638   17.270  660.509   24.413  598.712   24.435   70.093   1.2968   66.729   1.3633 3.363251 1.881562 
1 1 1   18    9   12 o  111.564   1.1524  1673.02   34.533  1625.17   45.422  1738.56   53.160  109.919   1.5385  113.663   1.7413 -3.744453 2.323603 
1 1 1   18    9   13 o   84.784   0.9215  965.946   20.985  967.222   29.479  964.634   29.879   84.816   1.2941   84.700   1.3134 0.1150818 1.843784 
1 1 1   18    9   14 o   54.775   0.8638  403.154   12.708  391.146   16.774  419.335   19.471   53.942   1.1577   55.844   1.2981 -1.902805 1.739402 
1 1 1   18    9   15 o   79.357   0.8676  846.235   18.492  863.825   27.303  831.328   25.134   80.151   1.2682   78.635   1.1900 1.516235 1.739151 
1 1 1   18    9   16 o   62.151   0.8446  519.052   14.099  518.737   21.783  519.279   18.497   62.107   1.3058   62.152   1.1080 -0.4445267E-01 1.712563 
1 1 1   18    9   17 o  117.609   1.2031  1859.83   38.003  1905.68   51.474  1804.90   56.345  118.992   1.6106  115.769   1.8121 3.222687 2.424356 
1 1 1   18    9   18 f   96.837   0.9646  1260.38   25.090  1262.08   36.867  1258.92   34.244   96.857   1.4171   96.747   1.3178 0.1099472 1.935171 
1 1 1   18    9   19 o   61.871   0.8024  514.391   13.335  497.923   19.160  529.861   18.571   60.852   1.1722   62.778   1.1014 -1.925938 1.608460 
1 1 1   18    9   20 o   37.713   0.8270  191.131   8.3765  188.545   11.999  193.591   11.700   37.444   1.1930   37.943   1.1480 -0.4996681 1.655675 
1 1 1   18    9   21 o   57.063   0.8332  437.596   12.769  432.628   17.756  442.918   18.377   56.719   1.1656   57.387   1.1922 -0.6687393 1.667319 
1 1 1   18    9   22 o   52.006   0.8913  363.530   12.451  368.623   15.619  354.653   20.622   52.356   1.1107   51.327   1.4958 1.029484 1.863086 
1 1 1   18    9   23 o   27.979   1.0469  105.260   7.8672  105.493   10.014  104.884   12.715   27.999   1.3316   27.847   1.7083 0.1512089 2.165962 
1 1 1   18    9   24 o   84.428   0.9494  958.347   21.529  936.609   27.078  995.698   35.495   83.436   1.2083   85.979   1.5370 -2.543396 1.955098 
1 1 1   18    9   25 o   13.613   1.6827   25.358   6.0215   21.289   7.2371   34.513   10.855   12.358   2.2638   15.745   2.6618 -3.387358 3.494287 
1 1 1   18    9   26 o   37.699   0.8452  191.068   8.5583  197.325   11.130  182.020   13.386   38.298   1.0820   36.765   1.3556 1.533405 1.734452 
1 1 1   18    9   27 o   33.738   0.9278  153.075   8.4076  152.484   11.196  153.839   12.731   33.654   1.2387   33.791   1.4027 -0.1372604 1.871322 
1 1 1   18    9   28 o   87.125   1.0755  1021.51   25.167  1024.19   31.343  1016.65   42.222   87.190   1.3384   86.753   1.8120 0.4366455 2.252720 
1 1 1   18    9   29 o   59.523   1.0377  476.805   16.589  465.018   21.773  493.116   25.614   58.736   1.3801   60.451   1.5776 -1.714546 2.096058 
1 1 1   18    9   30 o   19.899   1.2267   53.545   6.5243   56.210   8.0273   48.358   11.199   20.360   1.4780   18.744   2.2708 1.615969 2.709419 
1 1 1   18    9   31 o   46.281   0.7873  288.049   9.7870  284.099   13.206  292.862   14.578   45.936   1.0703   46.629   1.1640 -0.6923294 1.581255 
1 1 1   18    9   32 o   54.307   0.8125  396.670   11.851  393.407   15.709  400.982   18.056   54.051   1.0820   54.547   1.2324 -0.4960327 1.640007 
1 1 1   18    9   33 o   46.350   0.8606  289.021   10.713  281.899   14.014  299.038   16.619   45.744   1.1406   47.090   1.3140 -1.345932 1.739978 
1 1 1   18    9   34 o   53.634   0.8122  386.968   11.700  381.668   15.502  393.983   17.835   53.231   1.0843   54.060   1.2283 -0.8292618 1.638412 
1 1 1   18    9   35 o   56.181   0.8749  424.742   13.202  435.446   18.676  414.050   18.666   56.828   1.2236   55.409   1.2542 1.419308 1.752183 
1 1 1   18    9   36 o   19.130   1.3576   49.652   6.9305   60.330   9.8321   39.107   9.7706   21.031   1.7567   16.807   2.2186 4.223804 2.829829 
1 1 1   18    9   37 o   66.678   0.8573  598.429   15.354  605.713   22.016  591.532   21.423   67.005   1.2233   66.220   1.2045 0.7843399 1.716764 
1 1 1   18    9   38 o   36.829   0.8787  182.629   8.6924  182.499   11.619  182.794   13.100   36.779   1.1762   36.786   1.3259 -0.6866455E-02 1.772370 
1 1 1   18    9   39 o   56.257   0.9851  426.513   14.885  445.862   21.922  409.963   20.274   57.411   1.4217   55.065   1.3708 2.345783 1.974897 
1 1 1   18    9   40 o   52.093   0.9235  365.615   12.921  353.979   17.460  379.698   19.210   51.183   1.2701   52.989   1.3497 -1.805943 1.853329 
1 1 1   18    9   41 o   34.405   0.9709  159.560   8.9720  157.658   11.529  162.479   14.286   34.157   1.2567   34.622   1.5362 -0.4652061 1.984792 
1 1 1   18    9   42 o   47.618   0.9372  305.593   11.987  307.762   15.567  302.434   18.789   47.729   1.2143   47.246   1.4806 0.4831009 1.914847 
1 1 1   18    9   43 o   38.821   0.8533  202.991   8.8969  196.302   11.392  213.449   14.245   38.136   1.1122   39.723   1.3351 -1.586655 1.737677 
1 1 1   18    9   44 o   19.943   1.2694   53.987   6.7641   58.494   8.4705   46.055   11.237   20.713   1.5334   18.167   2.3586 2.545946 2.813256 
1 1 1   18    9   45 o   27.109   1.0306   99.160   7.5044  104.708   9.3499   89.116   12.581   27.827   1.2510   25.504   1.8491 2.322559 2.232527 
1 1 1   18    9   46 o   32.134   1.1794  139.602   10.179  136.660   13.062  144.151   16.245   31.721   1.5331   32.439   1.8725 -0.7177658 2.420009 
1 1 1   18    9   47 o   7.2724   2.9502   3.5678   8.9884  -6.0279   11.398   19.351   14.618   6.5188   2.9665   11.719   3.9348 -5.200404 4.927759 
1 1 1   18    9   48 o   16.252   2.2619   37.223   9.6061   15.150   13.664   58.791   13.507   10.655   3.7927   20.389   2.5200 -9.734435 4.553558 
1 1 1   18    9   49 o   10.808   3.1127   17.232   9.5266   14.052   13.900   20.048   13.082   10.385   3.8077   11.637   3.7117 -1.251938 5.317482 
1 1 1   18    9   50 o   31.033   2.1990  135.100   18.211  128.488   21.792  150.400   33.153   29.911   2.7431   31.263   4.0429 -1.351822 4.885623 
1 1 1   18    9   51 o   17.198   2.9934   44.014   13.325   21.972   19.447   63.521   18.294   12.155   4.4959   20.429   3.4573 -8.274794 5.671537 
1 1 1   18    9   52 o   8.7724   3.5211   7.9079   12.656  -2.1551   17.962   17.830   17.836   8.4805   3.8039   11.189   4.2694 -2.708946 5.718215 
1 1 1   18    9   53 o   15.776   3.2531   38.744   13.326   35.339   19.388   41.792   18.347   14.241   4.5160   15.671   4.2511 -1.429909 6.202103 
1 1 1   18   10  -50 o   17.388   3.9450   48.041   18.001   0.0000   0.0000   48.041   18.001  ?   ?    17.388   3.9450 0.000000 3.944959 
1 1 1   18   10  -49 o   13.226   4.3163   27.411   17.625   0.0000   0.0000   27.411   17.625  ?   ?    13.226   4.3163 0.000000 4.316298 
1 1 1   18   10  -48 o   12.108   3.5867   22.068   12.493   10.597   17.991   32.752   17.362   10.389   4.1881   14.473   4.2118 -4.083802 5.939676 
1 1 1   18   10  -47 o   15.919   3.0132   36.981   12.412   62.431   20.078   21.239   15.791   20.395   3.8052   12.120   4.0895 8.274922 5.586060 
1 1 1   18   10  -46 o   42.787   1.4075  248.542   16.175  265.204   23.401  233.298   22.383   43.965   1.9817   41.217   2.0218 2.747242 2.831050 
1 1 1   18   10  -45 o   24.217   1.9725   80.769   12.719  100.066   18.833   64.588   17.245   26.716   2.6599   21.235   3.1164 5.480703 4.097179 
1 1 1   18   10  -44 o   12.565   3.1494   22.990   10.608   37.438   15.734   10.950   14.363   15.903   3.7454   10.044   3.8315 5.859552 5.358027 
1 1 1   18   10  -43 o   16.819   2.6230   39.956   11.462   34.205   15.982   46.048   16.449   15.186   3.8984   17.756   3.5728 -2.570459 5.287909 
1 1 1   18   10  -42 o   22.265   1.6087   67.641   9.5559   68.958   13.077   66.131   13.997   22.329   2.2096   21.795   2.4326 0.5336857 3.286296 
1 1 1   18   10  -41 o   40.121   1.1878  217.448   12.800  197.762   18.318  236.230   17.893   38.120   1.7891   41.719   1.5968 -3.598976 2.398098 
1 1 1   18   10  -40 o   44.941   1.3788  273.341   16.643  269.301   34.860  274.534   18.941   43.903   2.9737   44.988   1.5675 -1.084629 3.361599 
1 1 1   18   10  -39 o   24.536   1.4632   81.811   9.5985   82.837   13.710   80.825   13.443   24.538   2.1004   24.240   2.0850 0.2975883 2.959565 
1 1 1   18   10  -38 o   45.173   1.1355  275.369   13.777  270.129   18.541  281.829   20.585   44.650   1.5461   45.569   1.6819 -0.9196815 2.284509 
1 1 1   18   10  -37 o   6.5699   2.7303   1.6166   7.9430   2.3669   10.584   0.6492   12.018   7.5896   3.1527   7.7322   3.2937 -0.1425667 4.559396 
1 1 1   18   10  -36 o   37.837   1.1248  193.043   11.431  199.062   16.107  186.934   16.226   38.349   1.5637   37.151   1.6262 1.198444 2.256011 
1 1 1   18   10  -35 o   76.314   1.0685  784.789   21.901  768.773   30.662  801.471   31.293   75.401   1.5140   76.988   1.5133 -1.587051 2.140627 
1 1 1   18   10  -34 o   48.617   1.0326  318.378   13.484  312.681   18.805  324.407   19.345   48.109   1.4553   49.000   1.4698 -0.8908920 2.068424 
1 1 1   18   10  -33 o   29.981   1.2776  121.235   10.288  120.270   13.420  122.611   16.022   29.767   1.6854   29.992   2.0003 -0.2249222 2.615740 
1 1 1   18   10  -32 o   8.6526   2.9548   9.5091   8.2448  -1.1034   10.483   26.717   13.349   6.9951   3.0290   13.638   3.5938 -6.642810 4.700011 
1 1 1   18   10  -31 o   15.315   2.3609   32.637   9.3992   50.066   15.463   22.424   11.837   18.842   3.1679   12.540   3.4200 6.302083 4.661757 
1 1 1   18   10  -30 o   20.932   1.5691   59.507   8.7578   56.085   12.331   62.990   12.441   20.183   2.3166   21.430   2.1922 -1.246752 3.189460 
1 1 1   18   10  -29 o   64.364   1.0021  557.587   17.323  556.832   24.444  558.349   24.553   64.250   1.4165   64.337   1.4209 -0.8655548E-01 2.006332 
1 1 1   18   10  -28 o   45.878   1.0517  283.311   12.960  275.978   19.197  289.453   17.567   45.215   1.5807   46.330   1.4117 -1.114857 2.119324 
1 1 1   18   10  -27 o   18.033   2.3354   44.840   11.045   43.822   15.749   45.826   15.495   17.574   3.4597   18.012   3.3255 -0.4383183 4.798745 
1 1 1   18   10  -26 o   38.425   1.0373  198.665   10.706  190.988   14.981  206.677   15.304   37.638   1.4820   39.156   1.4552 -1.518143 2.076969 
1 1 1   18   10  -25 o   24.610   1.2988   81.789   8.5546   93.723   12.063   69.716   12.133   26.299   1.7172   22.621   2.0182 3.677820 2.649886 
1 1 1   18   10  -24 o   21.660   1.4013   63.451   8.1083   60.831   11.329   66.202   11.610   21.123   2.0215   22.050   1.9815 -0.9268875 2.830660 
1 1 1   18   10  -23 f   35.377   0.9118  168.272   8.6642  168.996   10.952  167.060   14.165   35.441   1.1505   35.216   1.4976 0.2258682 1.888477 
1 1 1   18   10  -22 o   46.124   0.8015  285.940   9.9299  297.987   14.112  274.126   13.975   47.068   1.1163   45.141   1.1526 1.926167 1.604561 
1 1 1   18   10  -21 o   31.462   0.9466  133.077   7.9994  134.643   10.196  130.568   12.901   31.636   1.1999   31.137   1.5427 0.4999294 1.954366 
1 1 1   18   10  -20 o   28.663   0.9459  110.445   7.2822  101.124   9.5434  123.436   11.267   27.415   1.2961   30.285   1.3851 -2.869797 1.896948 
1 1 1   18   10  -19 o   22.745   0.8875   69.536   5.4218   63.009   9.5389   72.651   6.5897   21.566   1.6595   23.245   1.0555 -1.679350 1.966740 
1 1 1   18   10  -18 o   30.607   0.8242  125.889   6.7753  122.229   12.206  127.519   8.1453   30.096   1.5148   30.800   0.9846 -0.7036533 1.806709 
1 1 1   18   10  -17 o   44.994   0.7771  272.031   9.3910  263.264   13.575  280.078   13.005   44.248   1.1422   45.643   1.0609 -1.395020 1.558866 
1 1 1   18   10  -16 o   28.296   0.9073  107.611   6.8958  118.639   9.5752   95.728   9.9392   29.702   1.2002   26.638   1.3940 3.064108 1.839507 
1 1 1   18   10  -15 o   44.595   0.7659  267.211   9.1738  278.474   11.883  250.599   14.432   45.517   0.9720   43.168   1.2447 2.349854 1.579303 
1 1 1   18   10  -14 o   75.266   0.9203  761.330   18.604  776.652   22.781  730.649   32.237   76.006   1.1159   73.676   1.6291 2.330269 1.974602 
1 1 1   18   10  -13 o   57.680   0.8723  447.086   13.514  442.233   15.727  460.783   26.422   57.359   1.0208   58.506   1.6814 -1.147041 1.967030 
1 1 1   18   10  -12 o   63.275   0.8944  538.039   15.201  536.852   17.759  541.292   29.402   63.198   1.0462   63.411   1.7263 -0.2125511 2.018583 
1 1 1   18   10  -11 o   33.894   0.7886  154.351   7.1786  162.316   10.752  147.945   9.6423   34.748   1.1521   33.176   1.0821 1.571819 1.580594 
1 1 1   18   10  -10 o  116.462   1.0735  1823.07   33.581  1856.11   50.318  1796.54   45.092  117.451   1.5951  115.569   1.4527 1.881378 2.157414 
1 1 1   18   10   -9 o   21.877   0.9961   64.319   5.8532   69.686   8.9862   60.364   7.7139   22.713   1.4811   21.143   1.3657 1.570284 2.014648 
1 1 1   18   10   -8 o  118.562   1.0861  1889.37   34.587  1881.93   51.314  1895.57   46.822  118.269   1.6154  118.716   1.4684 -0.4468155 2.183044 
1 1 1   18   10   -7 o   53.888   0.7159  390.125   10.362  391.684   14.708  388.588   14.602   53.986   1.0143   53.773   1.0110 0.2136765 1.432120 
1 1 1   18   10   -6 o   73.075   0.7802  717.421   15.313  706.815   21.628  728.084   21.686   72.517   1.1104   73.601   1.0970 -1.083748 1.560863 
1 1 1   18   10   -5 o   53.714   0.7137  387.595   10.296  378.845   14.538  396.400   14.584   53.095   1.0195   54.312   0.9997 -1.216972 1.427837 
1 1 1   18   10   -4 o   15.925   1.1574   34.267   4.9168   43.331   7.2232   26.440   6.7118   17.885   1.5180   13.895   1.8439 3.989885 2.388354 
1 1 1   18   10   -3 o  148.999   1.2425  2984.39   49.725  2973.11   70.210  2995.74   70.435  148.645   1.7586  149.210   1.7575 -0.5648804 2.486236 
1 1 1   18   10   -2 o   52.918   0.7183  376.185   10.210  372.189   14.560  380.051   14.320   52.627   1.0301   53.181   1.0025 -0.5538483 1.437387 
1 1 1   18   10   -1 o   71.964   0.7771  695.751   15.021  685.750   21.250  705.740   21.236   71.431   1.1076   72.465   1.0911 -1.034492 1.554718 
1 1 1   18   10    0 o  117.592   1.0790  1858.38   34.078  1848.37   50.462  1866.76   46.206  117.224   1.6027  117.822   1.4601 -0.5977173 2.168094 
1 1 1   18   10    1 o   58.025   0.9657  452.418   15.050  443.058   23.793  458.661   19.431   57.395   1.5434   58.413   1.2385 -1.017277 1.978860 
1 1 1   18   10    2 o   27.664   0.8727  102.823   6.4844  118.371   10.027   91.645   8.5017   29.674   1.2580   26.111   1.2122 3.563068 1.747039 
1 1 1   18   10    3 o   40.415   0.7686  219.434   8.3431  210.248   12.590  226.625   11.140   39.550   1.1852   41.066   1.0100 -1.516464 1.557193 
1 1 1   18   10    4 o  143.415   1.2057  2764.76   46.443  2799.53   66.185  2731.03   65.186  144.246   1.7083  142.471   1.7035 1.774826 2.412483 
1 1 1   18   10    5 o  122.488   1.0656  2016.36   35.058  1972.27   49.034  2062.47   50.145  121.096   1.5076  123.834   1.5076 -2.738060 2.132063 
1 1 1   18   10    6 o   41.967   0.7993  236.629   9.0095  249.227   14.564  228.819   11.467   43.056   1.2594   41.263   1.0347 1.793304 1.629875 
1 1 1   18   10    7 o   87.721   0.8970  1033.96   21.135  1040.68   31.651  1028.56   28.393   87.975   1.3395   87.471   1.2085 0.5037231 1.804069 
1 1 1   18   10    8 o  103.811   0.9498  1448.20   26.484  1442.64   37.398  1453.80   37.510  103.579   1.3443  103.979   1.3431 -0.3998413 1.900271 
1 1 1   18   10    9 o   97.181   0.9118  1269.08   23.800  1281.13   33.794  1257.22   33.523   97.612   1.2890   96.697   1.2907 0.9150925 1.824142 
1 1 1   18   10   10 o   70.917   0.8124  675.734   15.475  665.792   20.767  688.147   23.206   70.379   1.0986   71.544   1.2076 -1.164993 1.632578 
1 1 1   18   10   11 o   45.318   0.7607  275.931   9.2589  269.453   12.351  284.241   13.990   44.775   1.0270   45.983   1.1327 -1.208141 1.528992 
1 1 1   18   10   12 o   56.344   0.7705  426.549   11.661  422.102   15.632  432.128   17.509   56.039   1.0386   56.695   1.1498 -0.6559906 1.549399 
1 1 1   18   10   13 o   51.740   0.7667  359.692   10.655  376.902   14.485  339.400   15.728   52.954   1.0184   50.243   1.1655 2.710186 1.547768 
1 1 1   18   10   14 o   65.724   0.8323  580.457   14.693  601.556   20.730  559.155   20.829   66.889   1.1538   64.486   1.2026 2.403679 1.666602 
1 1 1   18   10   15 o   58.830   0.8240  465.074   13.021  466.061   16.606  463.500   20.978   58.881   1.0500   58.702   1.3305 0.1795425 1.694967 
1 1 1   18   10   16 o   58.751   0.9102  463.907   14.363  456.106   16.539  487.833   28.965   58.247   1.0572   60.181   1.7920 -1.933456 2.080564 
1 1 1   18   10   17 o   27.909   1.0087  104.707   7.5610  109.576   11.049  100.420   10.369   28.499   1.4483   27.282   1.4199 1.217386 2.028211 
1 1 1   18   10   18 o   32.393   0.9175  141.040   7.9831  135.847   10.902  147.044   11.722   31.779   1.2773   33.061   1.3201 -1.281977 1.836849 
1 1 1   18   10   19 o   17.434   1.3399   41.134   6.2261   31.313   8.4898   52.563   9.1583   15.082   2.1572   19.675   1.7514 -4.592419 2.778650 
1 1 1   18   10   20 o   45.552   0.8883  278.910   10.868  283.871   15.395  273.980   15.345   45.936   1.2478   45.127   1.2660 0.8085480 1.777593 
1 1 1   18   10   21 o   41.660   0.8778  233.286   9.8216  234.329   14.025  232.283   13.759   41.733   1.2512   41.551   1.2328 0.1815453 1.756525 
1 1 1   18   10   22 o   17.539   1.2756   41.615   5.9678   51.931   8.4893   31.536   8.3911   19.564   1.6304   15.136   2.1225 4.428572 2.676384 
1 1 1   18   10   23 f   74.639   0.8556  748.912   17.152  742.039   25.091  754.941   23.501   74.252   1.2581   74.906   1.1681 -0.6539917 1.716759 
1 1 1   18   10   24 o   27.184   0.9286   99.365   6.7800   98.036   9.0377  101.077   10.254   26.987   1.2468   27.359   1.4001 -0.3715477 1.874802 
1 1 1   18   10   25 o   46.722   0.7684  293.444   9.6422  293.133   13.182  293.802   14.140   46.678   1.0515   46.725   1.1267 -0.4703140E-01 1.541127 
1 1 1   18   10   26 o   25.260   1.0033   85.842   6.8068   88.222   8.7984   82.294   10.743   25.561   1.2857   24.643   1.6323 0.9183064 2.077824 
1 1 1   18   10   27 o   16.127   1.4600   35.354   6.2556   34.096   8.5557   36.800   9.1698   15.736   2.0749   16.346   2.1400 -0.6099434 2.980707 
1 1 1   18   10   28 o   38.228   0.9576  196.634   9.8328  202.942   12.485  186.329   15.957   38.816   1.1975   37.150   1.5992 1.665817 1.997856 
1 1 1   18   10   29 o   46.442   0.8600  290.124   10.728  289.797   14.195  290.560   16.382   46.387   1.1393   46.426   1.3137 -0.3927231E-01 1.738968 
1 1 1   18   10   30 o   26.425   1.0780   94.029   7.6510   97.112   9.1691   86.961   13.883   26.840   1.2719   25.240   2.0659 1.600496 2.426041 
1 1 1   18   10   31 o   13.252   1.7262   24.147   5.9983   22.124   7.3096   28.318   10.496   12.575   2.2465   14.138   2.8622 -1.562582 3.638544 
1 1 1   18   10   32 o   8.7256   2.4639   10.659   6.0278   18.176   7.2999  -5.4514   10.687   11.334   2.4680   6.4282   2.9042 4.905373 3.811192 
1 1 1   18   10   33 o   5.1052   2.2507  -1.6971   6.0179  -2.2716   7.5436  -0.6915   9.9802   5.6807   2.5114   6.8846   2.9683 -1.203907 3.888175 
1 1 1   18   10   34 o   39.633   0.8548  211.381   9.0995  209.725   12.418  213.302   13.372   39.442   1.1722   39.766   1.2520 -0.3241768 1.715105 
1 1 1   18   10   35 o   27.045   1.0032   98.525   7.2871  105.424   9.6176   89.225   11.166   27.949   1.2812   25.623   1.6309 2.326391 2.073946 
1 1 1   18   10   36 o   33.449   0.9069  150.650   8.1476  155.116   10.521  143.957   12.879   33.913   1.1550   32.627   1.4696 1.285870 1.869174 
1 1 1   18   10   37 o   9.5072   2.3916   12.856   6.1016   16.129   7.5882   6.8686   10.263   10.624   2.6640   8.4027   3.2309 2.221547 4.187583 
1 1 1   18   10   38 o   20.784   1.4921   58.787   8.2737   53.487   9.6683   73.287   15.991   19.749   1.8441   22.922   2.6460 -3.173265 3.225165 
1 1 1   18   10   39 o   15.814   1.6000   34.262   6.7026   36.162   8.0992   30.132   11.940   16.189   1.8987   14.435   3.1666 1.753983 3.692258 
1 1 1   18   10   40 o   24.612   1.0901   81.747   7.2063   85.141   9.3403   76.755   11.327   25.042   1.3942   23.686   1.7938 1.355406 2.271886 
1 1 1   18   10   41 o   23.747   1.1862   76.176   7.5659   79.386   9.8984   71.666   11.734   24.147   1.5341   22.846   1.9303 1.301529 2.465692 
1 1 1   18   10   42 o   39.092   0.9483  206.012   9.9570  202.817   14.078  209.210   14.085   38.712   1.3540   39.322   1.3336 -0.6099701 1.900421 
1 1 1   18   10   43 o   10.365   2.5554   15.405   7.0689   11.496   9.5051   20.244   10.574   9.3372   3.1727   11.818   3.2362 -2.480783 4.532045 
1 1 1   18   10   44 o   10.068   2.4267   14.518   6.4851   14.150   8.2077   15.130   10.580   9.9628   2.8949   10.417   3.3395 -0.4543009 4.419612 
1 1 1   18   10   45 o   4.1298   1.9821  -8.9896   6.3613 -11.6894   7.5788  -2.5532   11.702   4.3967   2.1236   7.0960   3.1330 -2.699261 3.784859 
1 1 1   18   10   46 o   18.146   1.9261   45.597   9.2441   53.564   12.851   37.054   13.307   19.491   2.5133   15.911   3.2244 3.580463 4.088169 
1 1 1   18   10   47 o   11.555   2.6332   19.405   7.9904   30.624   10.400   3.2451   12.483   14.542   2.7638   8.1543   3.4086 6.387587 4.388320 
1 1 1   18   10   48 o   17.513   2.4773   43.758   11.328   50.682   19.610   40.291   13.877   18.035   4.1363   16.460   3.2542 1.575533 5.263021 
1 1 1   18   10   49 o   17.598   2.8735   45.372   13.114   25.347   19.417   62.165   17.781   12.875   4.5276   20.370   3.3676 -7.495124 5.642689 
1 1 1   18   10   50 o   27.836   2.6956  112.133   19.901  133.900   27.677   88.830   28.637   29.703   3.5389   23.068   4.7790 6.634686 5.946618 
1 1 1   18   10   51 o   9.5574   3.6154   11.982   12.721   5.7449   18.524   17.549   17.501   9.4957   4.0681   11.100   4.2306 -1.604301 5.869180 
1 1 1   18   10   52 o   23.466   2.2301   79.100   13.887   76.071   20.399   81.717   18.958   21.952   3.5834   23.164   3.1271 -1.211187 4.756013 
1 1 1   18   11  -49 o   9.0723   3.8717   4.4596   16.662   0.0000   0.0000   4.4596   16.662  ?   ?    9.0723   3.8717 0.000000 3.871697 
1 1 1   18   11  -48 o   26.796   2.7561  103.607   19.553   0.0000   0.0000  103.607   19.553  ?   ?    26.796   2.7561 0.000000 2.756064 
1 1 1   18   11  -47 o   8.4769   3.4035   6.3129   11.829   20.037   16.905  -6.8530   16.558   11.842   4.2182   7.8516   3.5740 3.990509 5.528700 
1 1 1   18   11  -46 o   29.698   1.8483  121.523   14.670  112.041   23.557  127.531   18.750   27.814   3.2123   30.204   2.3292 -2.390312 3.967891 
1 1 1   18   11  -45 o   26.679   1.8310   97.846   13.041  107.556   18.933   89.081   17.988   27.674   2.5769   25.106   2.7105 2.567537 3.739907 
1 1 1   18   11  -44 o   29.514   1.6650  119.006   13.145  122.405   18.950  115.855   18.249   29.667   2.3987   28.868   2.3747 0.7995911 3.375319 
1 1 1   18   11  -43 o   9.0108   3.2594   9.8639   10.135   14.298   15.405   6.4791   13.459   10.836   4.0029   9.0307   3.6288 1.805494 5.402846 
1 1 1   18   11  -42 o   23.855   1.8719   78.077   11.897   96.543   17.316   61.566   16.374   26.346   2.4762   20.802   3.0187 5.543921 3.904378 
1 1 1   18   11  -41 o   13.938   2.4072   27.451   8.6854   33.272   11.765   20.480   12.876   15.207   2.9870   11.943   3.6641 3.263947 4.727375 
1 1 1   18   11  -40 o   40.015   1.1483  216.261   12.341  204.985   17.257  228.066   17.656   38.839   1.6542   40.981   1.6040 -2.142654 2.304210 
1 1 1   18   11  -39 o   27.191   1.9586  101.409   14.209   0.0000   0.0000  101.409   14.209  ?   ?    27.191   1.9586 0.000000 1.958602 
1 1 1   18   11  -38 o   32.214   1.2329  140.240   10.668  135.845   15.199  144.507   14.976   31.545   1.8014   32.562   1.7185 -1.016609 2.489577 
1 1 1   18   11  -37 o   21.594   1.6024   63.588   9.2275   78.198   12.797   47.764   13.318   23.860   2.0157   18.394   2.7826 5.465595 3.435960 
1 1 1   18   11  -36 o   16.614   1.9642   38.096   8.5956   47.868   11.564   26.031   12.849   18.546   2.3761   13.377   3.5262 5.168697 4.252063 
1 1 1   18   11  -35 o   14.120   2.2973   27.919   8.4129   21.869   11.397   35.160   12.470   12.321   3.3540   15.681   3.0707 -3.359380 4.547367 
1 1 1   18   11  -34 o   13.284   2.4102   24.844   8.2830   28.105   11.253   20.988   12.237   13.999   3.0767   12.128   3.5378 1.870657 4.688507 
1 1 1   18   11  -33 o   21.747   1.4853   64.224   8.6237   72.274   11.956   55.493   12.451   22.988   1.9549   20.031   2.3595 2.956596 3.064118 
1 1 1   18   11  -32 o   52.574   1.0300  372.301   14.544  380.193   20.340  364.046   20.804   53.055   1.4274   51.903   1.4923 1.152645 2.065031 
1 1 1   18   11  -31 o   5.8237   2.6339  -4.6590   8.8179 -13.7079   10.775   13.686   15.342   5.5208   2.6305   10.883   3.9989 -5.361771 4.786516 
1 1 1   18   11  -30 o   21.835   2.0055   65.217   11.631   90.629   18.492   48.585   14.960   25.597   2.7318   18.558   3.1114 7.038994 4.140471 
1 1 1   18   11  -29 o   27.180   1.3139   99.630   9.5914   90.459   13.576  108.769   13.552   25.756   1.9776   28.292   1.7927 -2.535776 2.669228 
1 1 1   18   11  -28 o   36.880   1.0762  183.157   10.660  188.143   15.173  178.297   14.981   37.329   1.5133   36.336   1.5350 0.9927025 2.155520 
1 1 1   18   11  -27 o   13.061   2.3045   23.845   7.7889   21.755   10.796   26.115   11.248   12.358   3.2200   13.533   3.1531 -1.174212 4.506726 
1 1 1   18   11  -26 o   12.951   2.9472   23.825   10.021   16.202   14.118   31.567   14.228   11.255   3.8661   14.842   3.6049 -3.587646 5.285966 
1 1 1   18   11  -25 o   21.486   1.2261   62.380   7.0464   62.674   8.8576   61.873   11.629   21.498   1.5443   21.279   2.0605 0.2191334 2.575001 
1 1 1   18   11  -24 o   31.058   0.8665  129.723   7.2284  131.241   10.128  128.147   10.319   31.220   1.2079   30.847   1.2455 0.3727837 1.735005 
1 1 1   18   11  -23 o   17.580   1.1757   41.785   5.5192   33.818   7.3956   51.801   8.2918   15.727   1.7822   19.534   1.5943 -3.806294 2.391258 
1 1 1   18   11  -22 o   69.772   0.9796  654.745   18.357  649.096   25.863  660.480   26.060   69.418   1.3871   70.025   1.3856 -0.6063232 1.960603 
1 1 1   18   11  -21 o   69.381   0.9739  647.335   18.148  655.816   25.241  638.259   26.111   69.790   1.3465   68.841   1.4122 0.9494934 1.951246 
1 1 1   18   11  -20 o   43.328   0.8433  252.351   9.8135  254.577   13.512  249.866   14.276   43.500   1.1565   43.090   1.2335 0.4096832 1.690854 
1 1 1   18   11  -19 o   67.061   0.8594  604.508   15.479  639.105   25.796  585.043   19.349   68.901   1.3939   65.953   1.0923 2.947433 1.770909 
1 1 1   18   11  -18 o   86.231   0.8942  999.544   20.711  986.334   27.732  1016.21   31.144   85.626   1.2058   86.896   1.3344 -1.270096 1.798498 
1 1 1   18   11  -17 o   30.350   0.8791  123.812   7.1662  116.884   9.6909  132.172   10.645   29.477   1.2240   31.343   1.2645 -1.866686 1.759880 
1 1 1   18   11  -16 o   66.195   0.8280  588.896   14.722  602.067   20.560  575.036   21.090   66.909   1.1440   65.385   1.2009 1.523941 1.658600 
1 1 1   18   11  -15 o   63.584   0.7481  543.267   12.776  543.950   17.890  542.555   18.251   63.607   1.0472   63.523   1.0697 0.8317184E-01 1.496960 
1 1 1   18   11  -14 o   62.771   0.7859  529.476   13.249  525.961   19.703  532.376   17.901   62.539   1.1730   62.927   1.0591 -0.3881912 1.580403 
1 1 1   18   11  -13 o   91.673   0.9200  1129.54   22.652  1124.43   33.589  1133.81   30.679   91.420   1.3679   91.815   1.2441 -0.3946152 1.849012 
1 1 1   18   11  -12 o   69.410   0.8490  647.436   15.827  629.229   22.165  666.375   22.607   68.403   1.2064   70.394   1.1957 -1.990974 1.698567 
1 1 1   18   11  -11 o   83.713   0.9107  941.834   20.476  928.154   26.315  962.827   32.598   83.081   1.1793   84.593   1.4347 -1.511810 1.857156 
1 1 1   18   11  -10 o  132.551   1.3111  2363.16   46.679  2368.36   62.739  2356.72   69.862  132.615   1.7614  132.244   1.9669 0.3713684 2.640251 
1 1 1   18   11   -9 o   42.852   0.8410  246.755   9.6796  251.564   13.312  241.359   14.100   43.256   1.1458   42.365   1.2391 0.8905869 1.687683 
1 1 1   18   11   -8 o   70.729   0.8462  672.236   16.076  663.359   20.697  685.738   25.525   70.246   1.0970   71.404   1.3309 -1.157845 1.724753 
1 1 1   18   11   -7 o   81.091   0.8990  883.692   19.582  866.646   25.105  910.169   31.290   80.287   1.1642   82.256   1.4163 -1.969063 1.833356 
1 1 1   18   11   -6 o   34.570   0.7523  160.569   6.9856  159.182   9.9273  161.930   9.8316   34.412   1.0741   34.709   1.0546 -0.2964287 1.505263 
1 1 1   18   11   -5 f   46.022   0.7151  284.564   8.8400  288.632   12.622  280.647   12.384   46.341   1.0141   45.695   1.0090 0.6452637 1.430587 
1 1 1   18   11   -4 o   24.366   0.8675   79.782   5.6775   76.208   8.1357   83.175   7.9268   23.772   1.2789   24.873   1.1865 -1.100998 1.744559 
1 1 1   18   11   -3 o   63.942   0.7484  549.325   12.854  543.432   18.212  555.174   18.143   63.584   1.0664   64.268   1.0510 -0.6840401 1.497308 
1 1 1   18   11   -2 o   21.450   0.9479   61.832   5.4610   74.720   8.0122   50.650   7.4629   23.539   1.2720   19.351   1.4463 4.187778 1.926102 
1 1 1   18   11   -1 o   30.215   0.8737  122.675   7.0905  126.098   9.3425  118.025   10.889   30.627   1.1357   29.624   1.3686 1.003231 1.778428 
1 1 1   18   11    0 o   36.501   0.7964  179.013   7.8074  166.498   10.501  194.485   11.675   35.194   1.1109   38.036   1.1428 -2.842075 1.593754 
1 1 1   18   11    1 o  108.455   1.0205  1580.93   29.726  1593.85   44.355  1570.40   40.051  108.845   1.5172  108.058   1.3800 0.7872238 2.050918 
1 1 1   18   11    2 o   96.236   0.9916  1244.72   25.632  1227.30   40.524  1256.33   33.092   95.505   1.5798   96.660   1.2746 -1.155823 2.029865 
1 1 1   18   11    3 o   33.256   0.8111  148.604   7.2454  136.096   11.057  158.015   9.5914   31.813   1.2940   34.287   1.0415 -2.474155 1.661104 
1 1 1   18   11    4 o   84.245   0.8787  953.709   19.882  931.085   29.351  972.891   27.027   83.209   1.3133   85.067   1.1829 -1.858475 1.767467 
1 1 1   18   11    5 f   48.379   0.7899  314.479   10.264  318.132   16.623  312.229   13.049   48.640   1.2724   48.198   1.0080 0.4417038 1.623300 
1 1 1   18   11    6 o   31.405   0.8503  132.527   7.1719  124.983   10.976  138.147   9.4741   30.484   1.3406   32.057   1.1003 -1.572845 1.734299 
1 1 1   18   11    7 o   38.484   0.7404  198.989   7.6531  203.024   10.924  195.100   10.725   38.864   1.0465   38.098   1.0482 0.7660217 1.481129 
1 1 1   18   11    8 o   18.031   1.1145   43.873   5.3710   53.747   7.5411   33.708   7.6515   19.938   1.4174   15.713   1.8483 4.225526 2.329257 
1 1 1   18   11    9 o   95.591   0.9027  1228.01   23.177  1215.54   32.577  1240.78   32.981   95.071   1.2758   96.052   1.2784 -0.9817810 1.806075 
1 1 1   18   11   10 o   59.279   0.7807  472.178   12.431  470.102   16.700  474.758   18.615   59.136   1.0514   59.421   1.1664 -0.2854347 1.570311 
1 1 1   18   11   11 o   49.107   0.8052  324.047   10.620  321.066   13.578  328.744   17.046   48.871   1.0344   49.439   1.2837 -0.5678520 1.648550 
1 1 1   18   11   12 o   37.928   0.8410  193.314   8.5674  203.410   10.936  177.270   13.786   38.898   1.0467   36.298   1.4140 2.600708 1.759266 
1 1 1   18   11   13 o   29.535   0.9242  117.244   7.3315  117.418   9.2207  116.947   12.089   29.550   1.1618   29.436   1.5343 0.1133194 1.924557 
1 1 1   18   11   14 o   8.2467   2.4488   9.3051   5.8180   11.951   6.6918   1.1101   11.776   9.2716   2.5883   7.8401   3.2960 1.431468 4.190853 
1 1 1   18   11   15 o   61.001   1.0382  500.296   17.010  507.020   18.621  466.400   41.809   61.404   1.1290   58.718   2.6509 2.685497 2.881354 
1 1 1   18   11   16 o   26.021   0.9998   91.032   6.9878   89.369   8.6175   94.224   11.941   25.775   1.2448   26.393   1.6933 -0.6184330 2.101619 
1 1 1   18   11   17 o   17.483   1.3788   41.390   6.4218   38.021   7.3999   51.666   12.924   16.717   1.6704   19.381   2.5442 -2.664043 3.043556 
1 1 1   18   11   18 o  113.618   1.1178  1736.22   34.113  1696.75   47.485  1778.32   49.038  112.237   1.5752  114.901   1.5890 -2.663300 2.237403 
1 1 1   18   11   19 o   33.047   0.9053  146.816   8.0352  152.106   11.991  142.504   10.825   33.617   1.3280   32.543   1.2385 1.073654 1.815876 
1 1 1   18   11   20 o   34.296   0.8590  158.113   7.9123  149.326   11.420  166.225   10.973   33.309   1.2765   35.150   1.1622 -1.840805 1.726318 
1 1 1   18   11   21 o   67.564   0.8004  613.614   14.526  620.512   22.143  608.404   19.245   67.902   1.2141   67.253   1.0654 0.6493912 1.615289 
1 1 1   18   11   22 o   73.005   0.8193  716.507   16.065  690.723   23.999  737.442   21.625   71.630   1.2474   74.034   1.0875 -2.404221 1.654874 
1 1 1   18   11   23 o   21.720   1.1129   63.653   6.4707   71.187   9.3963   56.858   8.9239   22.927   1.5347   20.465   1.6372 2.461802 2.244042 
1 1 1   18   11   24 o   8.0130   2.6137   8.4202   6.4629   19.755   9.3853  -1.8025   8.9127   11.807   2.9639   6.3306   2.7664 5.476311 4.054371 
1 1 1   18   11   25 o   37.949   0.9161  193.723   9.3381  202.609   14.475  187.388   12.222   38.768   1.3901   37.300   1.2199 1.468475 1.849459 
1 1 1   18   11   26 o   24.240   1.0197   79.083   6.6388   80.571   8.7366   77.049   10.213   24.412   1.3375   23.835   1.6046 0.5767002 2.088929 
1 1 1   18   11   27 o   22.683   1.1694   69.494   7.1005   64.916   9.2856   75.941   11.019   21.867   1.5919   23.636   1.7481 -1.768751 2.364306 
1 1 1   18   11   28 o   22.128   1.0748   65.940   6.3883   60.347   8.2987   74.075   10.009   21.093   1.4740   23.361   1.6049 -2.267477 2.179084 
1 1 1   18   11   29 o   25.500   0.9818   87.530   6.7243   92.181   8.8939   81.324   10.274   26.148   1.2664   24.484   1.5706 1.663464 2.017529 
1 1 1   18   11   30 o   6.8643   2.5544   4.9638   6.2961   10.472   8.5387  -1.5995   9.3205   8.9771   3.0073   6.4989   2.8347 2.478160 4.132783 
1 1 1   18   11   31 o   45.277   0.9833  276.020   11.958  276.840   16.809  275.180   17.016   45.287   1.3819   45.148   1.4032 0.1395035 1.969420 
1 1 1   18   11   32 o   30.998   0.9465  129.366   7.8800  128.825   10.470  130.074   11.967   30.903   1.2614   31.032   1.4358 -0.1290588 1.911224 
1 1 1   18   11   33 o   67.695   0.8918  616.891   16.215  603.152   20.572  639.428   26.348   66.886   1.1451   68.794   1.4259 -1.908386 1.828811 
1 1 1   18   11   34 o   8.1283   2.5268   9.0213   6.1000   11.824   7.4800   3.4555   10.540   9.2253   2.7851   7.7918   3.1819 1.433432 4.228600 
1 1 1   18   11   35 o   13.607   1.9046   25.640   6.7697   30.306   7.8551   12.169   13.347   14.786   2.0316   10.182   3.7316 4.604411 4.248782 
1 1 1   18   11   36 o   11.008   2.3040   17.186   6.5935   23.502   7.6260  -1.5148   13.123   12.925   2.2801   7.7306   3.3680 5.194213 4.067249 
1 1 1   18   11   37 o   9.4482   2.7397   12.615   7.3580   14.667   8.2771   4.8851   16.066   10.151   2.8944   9.4261   3.8973 0.7252569 4.854583 
1 1 1   18   11   38 o   16.432   1.5191   36.906   6.6286   39.524   8.0568   31.422   11.661   16.952   1.7969   14.769   3.0409 2.182508 3.532132 
1 1 1   18   11   39 o   21.536   1.2012   62.860   6.9203   65.054   8.9767   59.646   10.865   21.847   1.5396   20.816   1.9666 1.030796 2.497632 
1 1 1   18   11   40 o   24.064   1.1749   78.231   7.5934   72.436   9.8254   86.826   11.966   23.044   1.5973   25.194   1.7797 -2.150251 2.391404 
1 1 1   18   11   41 o   5.9285   2.3713   2.4977   5.7184   2.9044   6.8379   1.5516   10.429   6.4474   2.5880   7.3626   3.0989 -0.9152327 4.037477 
1 1 1   18   11   42 o   41.695   0.8515  234.225   9.5359  238.627   11.946  226.494   15.831   42.048   1.0578   40.877   1.4419 1.170387 1.788291 
1 1 1   18   11   43 o   24.241   1.0998   79.365   7.1606   72.977   8.6998   92.783   12.608   23.162   1.4051   26.022   1.8153 -2.860466 2.295561 
1 1 1   18   11   44 o   19.820   1.5206   53.683   8.0333   61.618   10.026   39.451   13.427   21.178   1.7790   16.486   3.1470 4.691530 3.615073 
1 1 1   18   11   45 o   36.862   1.0588  183.648   10.482  189.918   14.089  175.875   15.688   37.396   1.4027   35.918   1.6262 1.477707 2.147582 
1 1 1   18   11   46 o   19.398   1.8507   52.102   9.5257   64.148   12.639   36.264   14.493   21.405   2.2312   15.533   3.5511 5.872325 4.193905 
1 1 1   18   11   47 o   52.647   1.8728  382.071   26.483  400.320   32.379  345.200   46.026   53.584   2.2498   48.335   3.5705 5.249825 4.220219 
1 1 1   18   11   48 o   7.6467   3.3878  -1.8851   13.798 -10.4961   18.456   9.0290   20.778   7.9106   3.6634   10.486   4.3917 -2.575143 5.719031 
1 1 1   18   11   49 o   9.8074   3.5702   13.165   12.188   16.930   17.577   9.6780   16.915   11.109   4.2384   9.8603   4.0291 1.249103 5.847913 
1 1 1   18   11   50 o   15.453   3.2855   36.950   13.217   37.851   18.392   35.989   19.006   14.987   4.3275   14.551   4.4497 0.4361124 6.207021 
1 1 1   18   11   51 o   13.278   3.4794   28.280   12.558  -0.8578   18.545   52.955   17.066   8.6100   3.8634   18.197   3.6192 -9.586883 5.293794 
1 1 1   18   12  -49 o   9.1892   4.2228  -5.9160   23.852   0.0000   0.0000  -5.9160   23.852  ?   ?    9.1892   4.2228 0.000000 4.222790 
1 1 1   18   12  -48 o   16.610   4.0446   44.625   17.876   0.0000   0.0000   44.625   17.876  ?   ?    16.610   4.0446 0.000000 4.044577 
1 1 1   18   12  -47 o   12.870   4.2946   25.974   17.413   0.0000   0.0000   25.974   17.413  ?   ?    12.870   4.2946 0.000000 4.294603 
1 1 1   18   12  -46 o   15.247   3.0978   34.558   12.254   24.822   17.421   44.091   17.239   12.768   4.2955   16.866   3.8854 -4.097994 5.792002 
1 1 1   18   12  -45 o   6.6678   3.0085  -4.5739   11.424   8.8501   16.139 -18.0549   16.173   9.8372   3.9664   6.7679   3.2242 3.069343 5.111488 
1 1 1   18   12  -44 o   11.573   3.3779   19.684   11.152   25.757   16.487   14.562   15.141   13.137   4.1643   10.745   3.9686 2.392385 5.752473 
1 1 1   18   12  -43 o   19.740   2.3617   54.587   12.273   62.916   18.488   48.025   16.410   20.773   3.4335   18.064   3.5088 2.709616 4.909244 
1 1 1   18   12  -42 o   20.108   2.1207   56.079   11.281   48.556   17.424   61.509   14.802   18.129   3.7036   20.873   2.7039 -2.743851 4.585589 
1 1 1   18   12  -41 o   14.474   2.9976   30.291   11.270   37.543   15.998   23.146   15.880   15.898   3.7985   12.690   4.0938 3.207541 5.584569 
1 1 1   18   12  -40 o   35.761   1.3072  173.080   12.556  180.002   19.905  168.505   16.182   36.210   2.0551   35.188   1.7122 1.021275 2.674863 
1 1 1   18   12  -39 o   8.5331   2.9833   9.2189   8.4244   13.972   12.071   4.7044   11.763   10.305   3.5728   8.3070   3.3733 1.998247 4.913630 
1 1 1   18   12  -38 o   29.905   1.8579  122.387   14.850   0.0000   0.0000  122.387   14.850  ?   ?    29.905   1.8579 0.000000 1.857941 
1 1 1   18   12  -37 o   19.334   1.7911   51.309   9.1954   44.960   12.556   58.654   13.505   17.836   2.7059   20.483   2.5070 -2.647417 3.688744 
1 1 1   18   12  -36 o   21.444   1.5650   62.703   8.9518   64.632   12.524   60.687   12.800   21.621   2.1866   20.907   2.3185 0.7143002 3.186983 
1 1 1   18   12  -35 o   32.231   1.3784  140.545   11.933  153.388   15.238  120.182   19.187   33.566   1.6957   29.478   2.4455 4.088387 2.975843 
1 1 1   18   12  -34 o   33.730   1.1983  153.591   10.856  135.543   14.859  174.254   15.899   31.544   1.7608   35.844   1.6515 -4.299707 2.414092 
1 1 1   18   12  -33 o   24.608   1.3937   82.118   9.1741   81.998   12.970   82.238   12.978   24.468   1.9909   24.504   1.9890 -0.3637314E-01 2.814188 
1 1 1   18   12  -32 o   11.191   2.6980   17.879   8.0151   21.545   11.145   13.952   11.535   12.246   3.3096   10.309   3.4952 1.936951 4.813510 
1 1 1   18   12  -31 o   28.612   1.2424  110.448   9.5478   90.763   13.283  131.493   13.734   25.783   1.9321   31.122   1.6489 -5.338726 2.540041 
1 1 1   18   12  -30 o   28.047   1.7190  106.921   12.887   98.437   16.697  119.422   20.267   26.767   2.3462   29.433   2.5900 -2.666157 3.494705 
1 1 1   18   12  -29 o   75.138   1.5361  763.082   31.001  737.479   42.944  790.946   44.800   73.633   2.1714   76.248   2.1875 -2.615273 3.082254 
1 1 1   18   12  -28 o   25.694   1.4763   89.458   10.146   97.569   13.892   80.185   14.853   26.753   1.9466   24.160   2.3174 2.593288 3.026502 
1 1 1   18   12  -27 o   25.815   1.0685   89.754   7.4084   93.684   9.0747   81.902   12.828   26.357   1.2819   24.500   1.9660 1.857849 2.346966 
1 1 1   18   12  -26 o   47.370   0.8242  301.841   10.487  292.348   14.649  311.819   15.019   46.580   1.1709   48.107   1.1623 -1.527328 1.649820 
1 1 1   18   12  -25 o   22.924   1.1738   70.984   7.2032   60.106   9.9106   83.165   10.488   21.007   1.7731   24.764   1.5851 -3.756989 2.378294 
1 1 1   18   12  -24 o   9.9482   2.0859   13.911   5.3954   11.040   7.2196   17.543   8.1201   8.9767   2.7420   11.122   2.7368 -2.145665 3.874125 
1 1 1   18   12  -23 o   43.914   0.9536  259.460   11.247  288.258   17.407  238.818   14.737   46.237   1.4016   42.097   1.3034 4.140167 1.913978 
1 1 1   18   12  -22 o   46.007   0.7710  284.579   9.5271  282.161   14.320  286.499   12.761   45.778   1.1646   46.142   1.0297 -0.3635254 1.554559 
1 1 1   18   12  -21 f   86.737   0.9023  1011.81   21.022  1038.20   31.759  991.233   28.045   87.783   1.3470   85.800   1.2170 1.983154 1.815313 
1 1 1   18   12  -20 o   33.537   0.8062  151.212   7.2624  160.798   9.4176  137.145   11.407   34.573   1.0142   31.910   1.3310 2.663429 1.673316 
1 1 1   18   12  -19 o   42.958   0.7678  248.056   8.8593  256.768   11.729  236.483   13.518   43.692   0.9995   41.917   1.2007 1.775578 1.562253 
1 1 1   18   12  -18 o  114.774   1.0692  1771.99   32.962  1795.78   44.808  1743.94   48.659  115.464   1.4448  113.748   1.5927 1.715439 2.150389 
1 1 1   18   12  -17 o   68.371   0.8617  628.402   15.825  604.105   22.048  654.217   22.727   67.001   1.2252   69.726   1.2135 -2.724930 1.724445 
1 1 1   18   12  -16 o   81.347   0.9066  889.614   19.808  923.449   31.434  867.330   25.510   82.817   1.4132   80.292   1.1829 2.525017 1.842886 
1 1 1   18   12  -15 o   20.519   1.1113   56.793   6.1019   69.231   9.2241   47.115   8.1365   22.621   1.5271   18.628   1.6431 3.993540 2.243137 
1 1 1   18   12  -14 o   60.872   0.7856  497.979   12.845  494.107   19.140  501.153   17.325   60.607   1.1758   61.048   1.0566 -0.4401588 1.580777 
1 1 1   18   12  -13 o   17.901   1.0723   43.245   5.1320   44.223   6.8588   42.002   7.7354   18.070   1.4247   17.580   1.6578 0.4898033 2.185897 
1 1 1   18   12  -12 o   10.092   1.9238   14.188   5.0242   16.303   7.1699   12.147   7.0423   10.767   2.5233   9.3612   2.6701 1.405736 3.673767 
1 1 1   18   12  -11 o   24.109   0.9736   78.136   6.3045   82.841   9.4222   74.323   8.4832   24.769   1.4222   23.463   1.3518 1.305868 1.962190 
1 1 1   18   12  -10 o   17.410   1.1852   40.953   5.5094   38.449   7.0397   44.912   8.8504   16.825   1.5761   18.163   1.8395 -1.338003 2.422379 
1 1 1   18   12   -9 o  115.457   1.0656  1792.25   33.044  1786.25   44.741  1799.45   49.013  115.208   1.4459  115.609   1.5785 -0.4014206 2.140591 
1 1 1   18   12   -8 o   23.201   0.9173   72.349   5.7159   73.437   8.0950   71.267   8.0721   23.329   1.2970   22.979   1.3133 0.3496819 1.845813 
1 1 1   18   12   -7 o   31.579   0.7779  134.002   6.5980  142.070   9.4459  126.315   9.2202   32.507   1.0819   30.650   1.1200 1.856544 1.557196 
1 1 1   18   12   -6 o   34.898   0.7559  163.647   7.0858  168.012   10.167  159.524   9.8810   35.351   1.0707   34.446   1.0680 0.9043732 1.512313 
1 1 1   18   12   -5 o   65.297   0.7571  572.900   13.278  586.738   19.042  559.805   18.524   66.062   1.0732   64.529   1.0688 1.533730 1.514600 
1 1 1   18   12   -4 o   71.595   0.7807  688.774   15.013  670.924   21.013  707.388   21.458   70.641   1.1075   72.536   1.1014 -1.894699 1.561939 
1 1 1   18   12   -3 o   38.444   0.8441  198.615   8.7163  187.279   10.790  219.912   14.788   37.323   1.0763   40.431   1.3618 -3.108109 1.735772 
1 1 1   18   12   -2 o   40.914   0.9159  224.982   10.065  230.009   11.777  211.358   19.387   41.363   1.0600   39.611   1.8223 1.752705 2.108165 
1 1 1   18   12   -1 o   23.621   1.0002   75.003   6.3456   76.779   8.3557   72.582   9.7536   23.856   1.3090   23.168   1.5768 0.6880150 2.049363 
1 1 1   18   12    0 o   97.642   1.0027  1281.55   26.296  1295.36   34.108  1261.31   41.288   98.136   1.2940   96.800   1.5880 1.336044 2.048467 
1 1 1   18   12    1 o   54.372   0.8075  397.259   11.792  403.792   15.384  387.953   18.360   54.806   1.0451   53.707   1.2728 1.098690 1.646855 
1 1 1   18   12    2 o   75.128   0.9253  758.588   18.670  727.161   24.735  800.203   28.463   73.531   1.2524   77.124   1.3741 -3.593239 1.859195 
1 1 1   18   12    3 o   71.494   1.0330  687.129   19.836  662.604   30.381  705.355   26.189   70.157   1.6123   72.411   1.3466 -2.254349 2.100623 
1 1 1   18   12    4 o  106.808   1.1944  1534.08   34.264  1512.67   48.241  1555.87   48.673  105.988   1.6946  107.492   1.6859 -1.504410 2.390368 
1 1 1   18   12    5 o   55.928   0.9065  420.401   13.617  425.251   19.378  415.670   19.139   56.228   1.2831   55.591   1.2818 0.6369247 1.813663 
1 1 1   18   12    6 o   55.443   0.8076  413.075   12.026  405.154   15.387  425.506   19.277   54.897   1.0436   56.245   1.2761 -1.347370 1.648444 
1 1 1   18   12    7 o   36.354   0.8006  177.596   7.8176  181.828   10.534  172.408   11.664   36.776   1.0665   35.804   1.2128 0.9710922 1.615028 
1 1 1   18   12    8 o   81.815   0.8695  899.612   19.106  884.912   25.595  918.113   28.714   81.119   1.1747   82.615   1.2940 -1.495682 1.747699 
1 1 1   18   12    9 o   22.004   1.0368   65.094   6.1279   65.270   8.0216   64.848   9.4962   21.983   1.3653   21.885   1.6271 0.9786224E-01 2.124073 
1 1 1   18   12   10 o   60.181   0.7511  486.676   12.141  500.184   17.283  473.513   17.060   60.994   1.0550   59.344   1.0703 1.649475 1.502852 
1 1 1   18   12   11 o   69.462   0.8168  648.427   15.239  643.444   20.437  654.665   22.870   69.174   1.1000   69.765   1.2205 -0.5901947 1.643052 
1 1 1   18   12   12 o   17.250   1.2102   40.219   5.5716   43.005   7.2201   36.118   8.7604   17.807   1.5242   16.235   2.0551 1.572741 2.558637 
1 1 1   18   12   13 o   6.0517   2.3407   3.1555   5.4112   4.9285   6.5091  -0.8115   9.7362   6.9513   2.5952   6.8241   2.9370 0.1272712 3.919303 
1 1 1   18   12   14 o   26.842   0.9317   96.859   6.7175   97.522   8.8134   95.939   10.377   26.924   1.2187   26.655   1.4549 0.2687244 1.897917 
1 1 1   18   12   15 o   24.904   0.9714   83.391   6.4981   82.425   8.4701   84.773   10.131   24.716   1.2803   25.044   1.5132 -0.3275623 1.982116 
1 1 1   18   12   16 o   40.138   0.8707  216.568   9.3863  216.376   12.088  216.861   14.896   40.107   1.1221   40.135   1.3818 -0.2812576E-01 1.780053 
1 1 1   18   12   17 o   79.587   0.8696  851.508   18.588  851.500   25.002  851.519   27.793   79.553   1.1701   79.537   1.3010 0.1653290E-01 1.749803 
1 1 1   18   12   18 o   91.999   1.0347  1138.41   25.567  1160.01   38.356  1121.14   34.298   92.782   1.5391   91.241   1.3996 1.540985 2.080315 
1 1 1   18   12   19 o   31.531   0.8682  133.671   7.3530  141.939   10.154  124.555   10.662   32.476   1.1640   30.415   1.3052 2.061844 1.748868 
1 1 1   18   12   20 o   32.413   0.8402  141.258   7.3144  137.126   9.9651  146.084   10.770   31.919   1.1624   32.941   1.2173 -1.022497 1.683111 
1 1 1   18   12   21 f   39.784   0.7883  212.789   8.4236  222.991   11.684  201.746   12.156   40.707   1.0686   38.712   1.1691 1.995380 1.583872 
1 1 1   18   12   22 o   33.519   0.9959  151.169   8.9661  135.545   13.261  164.327   12.170   31.696   1.5576   34.924   1.2973 -3.228060 2.027137 
1 1 1   18   12   23 o   10.845   2.1865   16.510   6.1490   13.711   8.3176   19.883   9.1311   9.9330   2.9223   11.836   2.8960 -1.902798 4.114227 
1 1 1   18   12   24 o   39.888   0.8331  213.994   8.9251  213.339   13.082  214.564   12.207   39.792   1.2240   39.915   1.1386 -0.1227951 1.671744 
1 1 1   18   12   25 o   64.715   0.8116  563.285   14.108  562.086   21.236  564.232   18.875   64.584   1.2242   64.731   1.0856 -0.1469040 1.636252 
1 1 1   18   12   26 o   27.205   1.0459   99.660   7.6426   96.388   10.066  104.114   11.744   26.690   1.4092   27.715   1.5842 -1.025282 2.120208 
1 1 1   18   12   27 o   15.102   1.5556   31.138   6.2197   44.763   8.4571   15.088   9.1790   18.102   1.7617   10.391   3.0736 7.711727 3.542657 
1 1 1   18   12   28 o   46.286   0.8640  288.279   10.741  287.054   15.857  289.318   14.602   46.134   1.2797   46.331   1.1734 -0.1972809 1.736204 
1 1 1   18   12   29 o   37.839   0.8608  192.672   8.7484  194.861   12.049  190.231   12.723   38.020   1.1799   37.555   1.2613 0.4644852 1.727159 
1 1 1   18   12   30 o   67.429   0.8715  611.911   15.784  603.035   21.904  621.498   22.764   66.868   1.2196   67.878   1.2486 -1.009079 1.745414 
1 1 1   18   12   31 o   30.893   0.9231  128.499   7.6593  131.300   10.152  124.799   11.669   31.199   1.2115   30.391   1.4295 0.8083172 1.873862 
1 1 1   18   12   32 o   33.946   0.8976  155.150   8.1844  154.252   10.857  156.331   12.456   33.814   1.1954   34.018   1.3632 -0.2039032 1.813124 
1 1 1   18   12   33 o   26.077   1.1803   91.754   8.2671  101.929   9.8873   68.112   15.071   27.466   1.3403   22.132   2.5841 5.334522 2.910956 
1 1 1   18   12   34 o   7.4492   2.5503   7.0445   6.1419   13.146   7.4088  -6.3633   10.982   9.6350   2.7354   6.3838   2.9077 3.251213 3.992131 
1 1 1   18   12   35 o   32.977   0.9558  146.570   8.4659  149.834   10.786  141.332   13.663   33.308   1.2057   32.284   1.5756 1.023388 1.984007 
1 1 1   18   12   36 o   20.047   1.3769   54.646   7.3689   55.062   9.3446   53.962   11.983   20.048   1.7530   19.704   2.3080 0.3439541 2.898256 
1 1 1   18   12   37 o   6.9689   2.5097   5.7080   5.9997   5.6154   7.5078   5.8717   9.9802   7.3535   2.7785   8.0801   3.1638 -0.7265940 4.210670 
1 1 1   18   12   38 o   26.170   1.0432   92.419   7.3324   96.294   9.5650   86.897   11.419   26.638   1.3411   25.222   1.6954 1.416233 2.161719 
1 1 1   18   12   39 o   17.924   1.4348   43.819   6.8498   46.834   8.8659   39.354   10.789   18.454   1.8121   16.723   2.4768 1.730427 3.068950 
1 1 1   18   12   40 o   15.682   1.5269   33.680   6.3497   30.847   7.4899   40.918   11.972   14.916   1.9136   16.983   2.7162 -2.066410 3.322620 
1 1 1   18   12   41 o   37.158   0.9081  186.135   9.0627  186.818   10.806  184.517   16.640   37.196   1.0816   36.824   1.6824 0.3718185 2.000100 
1 1 1   18   12   42 o   45.719   0.9273  281.899   11.387  282.612   14.055  280.536   19.428   45.726   1.1444   45.421   1.5925 0.3050804 1.961035 
1 1 1   18   12   43 o   8.9255   2.6937   11.250   6.9981   4.4815   7.9933   33.468   14.483   7.1788   2.8251   14.985   3.6354 -7.806049 4.604102 
1 1 1   18   12   44 o   16.326   1.9056   37.032   8.1990   47.803   10.059   15.713   14.152   18.529   2.0559   10.849   3.8600 7.680188 4.373357 
1 1 1   18   12   45 o   13.962   3.3211   29.157   12.273   30.447   16.111   27.374   18.944   14.066   4.0470   13.436   4.4793 0.6302176 6.036731 
1 1 1   18   12   46 o   15.033   3.7406   34.860   15.042   22.292   18.820   57.090   25.030   12.363   4.4457   18.567   4.9346 -6.204199 6.641877 
1 1 1   18   12   47 o   24.597   2.1364   85.130   13.974   89.012   20.714   81.888   18.931   24.473   3.2302   23.574   3.0620 0.8985043 4.450877 
1 1 1   18   12   48 o   16.292   3.7636   42.039   16.137   24.430   31.922   48.084   18.703   13.190   5.4769   17.218   4.1025 -4.028313 6.843015 
1 1 1   18   12   49 o   10.778   3.6428   17.833   12.529   23.442   17.992   12.552   17.458   12.105   4.3474   10.229   4.1250 1.875734 5.992944 
1 1 1   18   12   50 o   8.5807   3.5866   6.2335   13.820 -14.7000   24.082   16.511   16.874   8.4533   4.0001   10.670   4.1316 -2.217002 5.750792 
1 1 1   18   13  -48 o   9.8011   4.4087   0.8827   24.316   0.0000   0.0000   0.8827   24.316  ?   ?    9.8011   4.4087 0.000000 4.408682 
1 1 1   18   13  -47 o   10.435   4.0604   14.175   16.359   0.0000   0.0000   14.175   16.359  ?   ?    10.435   4.0604 0.000000 4.060364 
1 1 1   18   13  -46 o   19.960   3.6205   61.313   18.695   0.0000   0.0000   61.313   18.695  ?   ?    19.960   3.6205 0.000000 3.620469 
1 1 1   18   13  -45 o   6.9949   3.1308  -3.3120   12.098  -0.2398   17.493  -6.1283   16.749   8.7620   3.8510   7.9345   3.6051 0.8274803 5.275108 
1 1 1   18   13  -44 o   25.103   2.1385   87.998   14.281   67.665   20.493  107.197   19.913   21.173   3.7404   27.402   2.7425 -6.229126 4.638070 
1 1 1   18   13  -43 o   13.861   3.1684   28.411   11.538   29.077   17.012   27.844   15.702   13.810   4.2071   13.546   4.0231 0.2642679 5.821054 
1 1 1   18   13  -42 o   30.793   1.6561  129.679   13.647  119.045   19.535  139.814   19.071   29.155   2.5195   31.739   2.2518 -2.583918 3.379097 
1 1 1   18   13  -41 o   7.5427   3.0860   3.4794   9.9379   1.4974   16.173   4.6818   12.597   8.8810   3.8029   8.4825   3.4728 0.3984966 5.149998 
1 1 1   18   13  -40 o   42.861   1.3230  248.834   15.230  251.106   22.643  246.957   20.582   42.835   1.9681   42.545   1.8011 0.2907982 2.667823 
1 1 1   18   13  -39 o   32.858   1.3487  146.243   11.903  163.464   20.004  136.804   14.810   34.441   2.1737   31.642   1.7495 2.799044 2.790229 
1 1 1   18   13  -38 o   8.7780   2.9975   10.086   8.4843  -0.3859   12.057   20.360   11.941   7.5333   3.2552   11.852   3.5057 -4.318521 4.783940 
1 1 1   18   13  -37 o   20.844   2.0466   60.014   11.310   31.490   21.267   71.262   13.355   14.599   4.7402   22.677   2.2212 -8.077620 5.234796 
1 1 1   18   13  -36 o   27.857   1.4999  105.573   11.181  127.281   18.514   93.109   14.028   30.348   2.2881   26.016   2.0234 4.331425 3.054452 
1 1 1   18   13  -35 o   20.516   1.6451   57.548   8.9891   49.265   12.989   65.161   12.453   18.696   2.6618   21.705   2.1650 -3.008644 3.431072 
1 1 1   18   13  -34 o   39.116   1.2659  206.851   13.300  221.936   16.690  180.608   22.013   40.453   1.5361   36.216   2.2746 4.237038 2.744656 
1 1 1   18   13  -33 o   5.9851   2.5860  -0.6168   7.6082  -1.2932   10.308   0.1929   11.277   6.8588   2.9867   7.4145   3.1752 -0.5556264 4.359169 
1 1 1   18   13  -32 o   38.273   1.1073  197.603   11.382  203.228   15.838  191.593   16.369   38.737   1.5223   37.591   1.6213 1.146473 2.223927 
1 1 1   18   13  -31 o   46.391   1.0396  290.090   12.953  292.475   18.276  287.683   18.363   46.497   1.4634   46.110   1.4827 0.3869362 2.083227 
1 1 1   18   13  -30 o   23.944   1.4607   77.809   9.3495   85.912   12.991   69.103   13.466   25.067   1.9447   22.389   2.2707 2.678448 2.989672 
1 1 1   18   13  -29 o   26.142   1.1962   92.183   8.3991   99.567   10.744   80.578   13.469   27.098   1.4818   24.247   2.0885 2.850843 2.560766 
1 1 1   18   13  -28 o   28.932   1.1140  112.825   8.6572  110.452   11.578  115.834   13.038   28.543   1.5156   29.204   1.6691 -0.6603546 2.254577 
1 1 1   18   13  -27 o   31.650   1.1194  135.003   9.5162  121.654   12.756  151.754   14.290   29.950   1.5915   33.497   1.5883 -3.547167 2.248436 
1 1 1   18   13  -26 o   8.6405   2.2409   10.540   5.2445   14.993   6.9123   4.4975   8.0511   10.277   2.5228   7.2765   2.8437 3.000845 3.801446 
1 1 1   18   13  -25 o   5.6872   2.2477   2.4468   5.0798  -4.0300   6.4926   12.669   8.1566   4.9101   2.2362   9.5754   2.9123 -4.665316 3.671747 
1 1 1   18   13  -24 o   14.813   1.5027   29.936   5.8962   29.130   7.7828   31.021   9.0334   14.512   2.0541   14.927   2.3292 -0.4145536 3.105551 
1 1 1   18   13  -23 o   32.036   0.9140  138.109   7.8649  129.675   10.960  147.064   11.293   31.010   1.3158   33.028   1.2731 -2.018108 1.830873 
1 1 1   18   13  -22 o   62.814   0.8305  530.706   14.011  551.529   19.495  508.463   20.149   63.991   1.1343   61.427   1.2213 2.563393 1.666750 
1 1 1   18   13  -21 o   56.220   0.8120  425.064   12.261  451.155   19.059  406.638   16.016   57.867   1.2262   54.957   1.0850 2.909805 1.637337 
1 1 1   18   13  -20 o   34.803   0.8232  162.887   7.6952  176.446   11.057  150.151   10.716   36.200   1.1372   33.389   1.1950 2.810654 1.649596 
1 1 1   18   13  -19 o   31.665   0.8324  134.833   7.0796  138.976   9.1823  128.760   11.117   32.134   1.0639   30.911   1.3390 1.223066 1.710192 
1 1 1   18   13  -18 o   44.892   0.7674  270.927   9.2528  265.185   13.468  276.059   12.734   44.386   1.1297   45.294   1.0467 -0.9081650 1.540070 
1 1 1   18   13  -17 o   63.000   0.8064  533.599   13.645  540.416   20.499  528.175   18.285   63.358   1.2046   62.651   1.0866 0.7074699 1.622252 
1 1 1   18   13  -16 o   38.225   0.9263  196.494   9.5104  181.672   14.823  206.863   12.399   36.714   1.5032   39.204   1.1775 -2.489899 1.909451 
1 1 1   18   13  -15 o   35.235   0.8531  166.906   8.0734  159.419   10.956  175.805   11.943   34.418   1.1851   36.140   1.2304 -1.722668 1.708321 
1 1 1   18   13  -14 o   41.927   0.8046  236.290   9.0609  224.938   13.554  245.461   12.183   40.882   1.2344   42.718   1.0619 -1.836349 1.628247 
1 1 1   18   13  -13 o   32.935   0.8358  145.809   7.3938  137.430   10.925  152.889   10.043   31.954   1.2729   33.712   1.1091 -1.758221 1.688360 
1 1 1   18   13  -12 o   35.565   0.7622  169.998   7.2811  176.874   10.033  162.348   10.583   36.266   1.0300   34.740   1.1342 1.526268 1.532099 
1 1 1   18   13  -11 o   69.484   0.7773  648.887   14.506  650.539   20.530  647.239   20.499   69.546   1.0991   69.369   1.1002 0.1767349 1.555102 
1 1 1   18   13  -10 o   60.251   0.7460  487.853   12.072  483.717   16.991  492.070   17.155   59.975   1.0548   60.490   1.0559 -0.5155602 1.492469 
1 1 1   18   13   -9 o   46.082   0.7902  285.399   9.7800  282.468   12.665  289.728   15.392   45.833   1.0288   46.405   1.2349 -0.5722923 1.607329 
1 1 1   18   13   -8 o   4.9823   2.0942   0.4006   4.7520  -0.2798   6.5491   1.1571   6.9058   5.6620   2.4221   6.1269   2.5460 -0.4649048 3.514055 
1 1 1   18   13   -7 o   61.407   0.7484  506.725   12.344  512.957   17.530  500.595   17.386   61.763   1.0567   61.014   1.0609 0.7490501 1.497373 
1 1 1   18   13   -6 o   50.501   0.7287  342.713   9.8844  337.437   13.964  348.012   13.993   50.096   1.0378   50.876   1.0240 -0.7797165 1.457980 
1 1 1   18   13   -5 o  102.853   0.9859  1422.21   27.235  1405.68   36.708  1442.44   40.621  102.207   1.3372  103.515   1.4610 -1.307854 1.980556 
1 1 1   18   13   -4 o   57.456   0.8106  443.650   12.509  437.105   16.086  453.658   19.894   57.016   1.0504   58.069   1.2755 -1.052860 1.652369 
1 1 1   18   13   -3 o   28.793   0.8763  111.433   6.7772  116.320   9.2251  105.703   9.9893   29.409   1.1679   28.028   1.3269 1.380236 1.767685 
1 1 1   18   13   -2 o   30.299   0.8003  123.370   6.5127  112.007   9.3406  134.121   9.0855   28.857   1.2051   31.583   1.0710 -2.725639 1.612286 
1 1 1   18   13   -1 f   21.178   0.9688   60.294   5.5107   58.989   8.0081   61.467   7.5950   20.886   1.4363   21.332   1.3322 -0.4462509 1.958992 
1 1 1   18   13    0 o   23.442   0.9263   73.866   5.8320   79.497   8.5119   68.884   8.0066   24.272   1.3105   22.588   1.3255 1.684633 1.863984 
1 1 1   18   13    1 f   16.167   1.2521   35.370   5.3945   37.835   8.1139   33.417   7.2218   16.653   1.8450   15.652   1.7476 1.000801 2.541323 
1 1 1   18   13    2 o   20.432   1.1439   56.319   6.2526   61.764   10.949   53.685   7.6168   21.316   1.9335   19.920   1.4332 1.395475 2.406699 
1 1 1   18   13    3 o   37.207   0.8420  186.058   8.4143  198.723   14.233  179.253   10.433   38.428   1.3790   36.512   1.0638 1.915806 1.741631 
1 1 1   18   13    4 o   20.986   1.0762   59.376   6.0460   60.713   9.4686   58.455   7.8559   21.163   1.6795   20.792   1.4151 0.3710537 2.196231 
1 1 1   18   13    5 o   37.649   0.7965  190.490   8.0546  178.921   12.189  199.459   10.732   36.469   1.2444   38.516   1.0374 -2.046417 1.620067 
1 1 1   18   13    6 o   47.768   0.7722  306.636   9.9068  304.165   14.797  308.643   13.337   47.555   1.1585   47.911   1.0364 -0.3559647 1.554426 
1 1 1   18   13    7 o   19.425   1.0758   50.896   5.5909   47.593   7.8728   54.256   7.9410   18.732   1.5795   20.020   1.4874 -1.287169 2.169624 
1 1 1   18   13    8 o   56.029   0.7423  421.866   11.171  426.776   15.828  416.994   15.768   56.337   1.0460   55.687   1.0542 0.6498871 1.485107 
1 1 1   18   13    9 o   30.875   0.8329  128.129   6.9074  133.240   9.7015  122.875   9.8370   31.473   1.1476   30.222   1.2119 1.251728 1.669036 
1 1 1   18   13   10 o  115.302   1.0266  1787.71   31.792  1754.02   44.425  1823.07   45.516  114.137   1.4492  116.360   1.4564 -2.223373 2.054522 
1 1 1   18   13   11 o   29.603   0.8520  117.800   6.7742  130.079   9.4021  104.544   9.7686   31.097   1.1257   27.871   1.3049 3.226665 1.723371 
1 1 1   18   13   12 o   49.854   0.8551  334.104   11.451  340.178   14.062  322.149   19.727   50.294   1.0410   48.905   1.5018 1.388535 1.827317 
1 1 1   18   13   13 o   95.502   0.9522  1226.37   24.425  1245.59   33.174  1203.62   36.094   96.198   1.2839   94.539   1.4214 1.658821 1.915440 
1 1 1   18   13   14 o   21.909   1.0477   64.562   6.1650   61.817   8.3324   67.883   9.1640   21.373   1.4603   22.393   1.5328 -1.020540 2.117055 
1 1 1   18   13   15 o   71.232   0.8320  682.130   15.917  673.723   21.361  692.625   23.868   70.762   1.1239   71.733   1.2388 -0.9712143 1.672674 
1 1 1   18   13   16 o   63.266   0.8458  538.142   14.372  508.688   19.622  572.226   21.109   61.477   1.1884   65.201   1.2053 -3.724312 1.692655 
1 1 1   18   13   17 o   26.186   1.1388   92.286   8.0097   87.536   10.442   99.074   12.484   25.434   1.5358   27.039   1.7280 -1.604609 2.311823 
1 1 1   18   13   18 o   13.629   1.5288   25.361   5.4998   29.403   7.2055   19.719   8.5129   14.633   1.8766   11.807   2.7377 2.826180 3.319077 
1 1 1   18   13   19 o   39.865   0.8643  213.728   9.2539  209.702   12.647  218.367   13.576   39.462   1.1932   40.263   1.2554 -0.8012161 1.731982 
1 1 1   18   13   20 o   5.1230   2.2024  -0.4067   5.4636  -1.7690   7.1973   1.4461   8.3934   5.6344   2.4734   6.7341   2.8033 -1.099677 3.738499 
1 1 1   18   13   21 o   34.097   0.8804  156.397   8.0628  157.616   10.699  154.795   12.267   34.209   1.1644   33.884   1.3478 0.3243332 1.781134 
1 1 1   18   13   22 o   50.787   0.7737  346.870   10.554  343.065   14.544  351.102   15.338   50.476   1.0728   51.058   1.1185 -0.5820274 1.549782 
1 1 1   18   13   23 o   31.352   0.8664  132.246   7.2957  120.100   9.8046  147.314   10.921   29.851   1.2229   33.060   1.2298 -3.208935 1.734327 
1 1 1   18   13   24 o   11.974   2.0669   19.999   6.4069   19.190   9.0883   20.798   9.0335   11.607   2.9182   12.088   2.8320 -0.4802732 4.066453 
1 1 1   18   13   25 o   29.846   1.0921  119.999   8.7545  108.117   12.670  130.856   12.111   28.221   1.6791   31.130   1.4484 -2.908995 2.217486 
1 1 1   18   13   26 o   50.193   0.8272  338.965   11.152  338.357   17.211  339.405   14.642   50.084   1.2795   50.192   1.0861 -0.1084557 1.678304 
1 1 1   18   13   27 o   17.858   1.3680   43.302   6.5118   45.363   8.9395   40.972   9.5048   18.199   1.8547   17.239   2.0959 0.9609489 2.798730 
1 1 1   18   13   28 o   44.767   0.8772  269.747   10.547  260.242   15.402  278.141   14.474   43.911   1.3059   45.416   1.1866 -1.504581 1.764437 
1 1 1   18   13   29 o   31.881   0.9145  136.844   7.8305  128.211   10.191  149.287   12.235   30.826   1.2308   33.245   1.3702 -2.418993 1.841839 
1 1 1   18   13   30 o   52.783   0.8343  374.994   11.828  368.547   15.407  384.243   18.455   52.284   1.0972   53.347   1.2880 -1.062641 1.691955 
1 1 1   18   13   31 o   29.137   1.0320  114.428   8.0766  114.134   9.8060  115.046   14.241   29.074   1.2557   29.046   1.8349 0.2839661E-01 2.223456 
1 1 1   18   13   32 o   44.498   0.8629  266.637   10.313  265.706   13.325  268.027   16.286   44.379   1.1178   44.523   1.3619 -0.1443787 1.761898 
1 1 1   18   13   33 o   38.558   0.8984  200.292   9.3037  192.365   13.007  208.596   13.313   37.725   1.2837   39.289   1.2616 -1.563656 1.799853 
1 1 1   18   13   34 o   41.511   0.8536  232.115   9.5169  237.106   12.914  226.182   14.079   41.903   1.1474   40.899   1.2817 1.004318 1.720232 
1 1 1   18   13   35 o   34.145   0.9570  157.204   8.7771  150.697   11.160  167.755   14.212   33.385   1.2446   35.169   1.5045 -1.784203 1.952527 
1 1 1   18   13   36 o   16.104   1.5175   35.494   6.4866   22.753   8.0994   58.284   10.832   12.638   2.4745   20.559   1.9863 -7.920617 3.173161 
1 1 1   18   13   37 o   30.520   0.9757  125.645   7.9979  120.130   10.465  133.387   12.401   29.791   1.3079   31.359   1.4723 -1.567894 1.969361 
1 1 1   18   13   38 o   50.376   0.8106  341.860   10.968  348.022   14.032  332.184   17.585   50.780   1.0288   49.532   1.3218 1.248436 1.675008 
1 1 1   18   13   39 o   24.220   1.0543   79.192   6.8583   79.947   8.2289   77.474   12.411   24.274   1.2665   23.725   1.9653 0.5489540 2.338007 
1 1 1   18   13   40 o   20.429   1.3939   56.835   7.6024   56.636   9.7764   57.140   12.092   20.296   1.8125   20.258   2.2608 0.3753853E-01 2.897640 
1 1 1   18   13   41 o   32.356   0.9935  141.320   8.6341  142.044   11.083  140.202   13.772   32.385   1.2741   32.098   1.5974 0.2877274 2.043319 
1 1 1   18   13   42 o   11.893   2.3033   20.181   7.0918   10.505   8.6727   39.708   12.320   8.8863   3.0306   16.607   2.8656 -7.721040 4.170867 
1 1 1   18   13   43 o   20.208   2.1100   56.946   11.284   72.914   16.571   43.139   15.408   22.606   2.7883   17.020   3.4879 5.586309 4.465371 
1 1 1   18   13   44 o   19.546   2.5590   54.506   13.112   49.038   17.046   62.431   20.520   18.004   3.6499   20.212   3.9213 -2.207628 5.357081 
1 1 1   18   13   45 o   7.6494   3.3052   0.6823   12.429   7.2989   18.204  -5.0951   17.010   9.8657   4.1195   8.1073   3.6633 1.758409 5.512701 
1 1 1   18   13   46 o   15.866   3.1476   37.945   12.940   37.742   19.243   38.113   17.482   15.133   4.4429   15.360   4.1426 -0.2268419 6.074567 
1 1 1   18   13   47 o   15.715   3.2295   37.851   13.176   22.992   18.213   54.164   19.083   12.129   4.3721   18.333   3.9888 -6.204281 5.918287 
1 1 1   18   13   48 o   10.191   3.8040   14.818   13.984   13.510   25.281   15.395   16.786   11.183   4.7706   10.565   4.1125 0.6177530 6.298506 
1 1 1   18   13   49 o   25.207   2.9339   96.165   19.492   0.0000   0.0000   96.165   19.492  ?   ?    25.207   2.9339 0.000000 2.933875 
1 1 1   18   14  -46 o   11.110   4.2641   17.640   17.857   0.0000   0.0000   17.640   17.857  ?   ?    11.110   4.2641 0.000000 4.264055 
1 1 1   18   14  -45 o   16.483   4.2258   44.474   18.797   0.0000   0.0000   44.474   18.797  ?   ?    16.483   4.2258 0.000000 4.225764 
1 1 1   18   14  -44 o   7.5980   3.5066  -9.0874   16.696 -53.4600   45.207  -2.0787   17.966   10.186   4.9794   8.6200   3.8398 1.565548 6.287992 
1 1 1   18   14  -43 o   9.4805   3.5489   11.059   12.188   19.567   17.707   3.3987   16.802   11.798   4.3020   9.1056   3.8870 2.692841 5.797905 
1 1 1   18   14  -42 f   12.142   3.3942   22.024   11.500   31.323   17.002   14.183   15.613   14.239   4.1750   10.670   4.0122 3.568311 5.790342 
1 1 1   18   14  -41 o   20.721   2.2441   60.049   12.290   60.729   17.966   59.450   16.849   20.340   3.4092   20.214   3.2107 0.1254177 4.683024 
1 1 1   18   14  -40 o   14.031   2.8727   28.545   10.462   47.212   17.047   17.268   13.250   17.814   3.6845   11.124   3.7462 6.690271 5.254434 
1 1 1   18   14  -39 o   28.073   1.6766  107.748   12.584  110.301   18.808  105.679   16.932   28.098   2.5189   27.585   2.3065 0.5129089 3.415402 
1 1 1   18   14  -38 o   22.846   1.9574   71.926   11.895   72.818   17.888   71.219   15.926   22.605   3.0219   22.484   2.6907 0.1210613 4.046176 
1 1 1   18   14  -37 o   19.330   1.8019   51.393   9.2475   60.162   13.066   42.591   13.090   20.753   2.3874   17.240   2.9320 3.513861 3.781102 
1 1 1   18   14  -36 o   12.923   2.9749   24.255   10.112  -5.7295   18.162   37.726   12.173   8.5328   3.8264   16.215   2.9016 -7.682291 4.802148 
1 1 1   18   14  -35 o   29.002   1.4995  114.464   11.641  100.118   19.329  122.629   14.582   26.708   2.7330   29.929   1.8227 -3.220839 3.284999 
1 1 1   18   14  -34 o   14.273   2.4230   28.817   8.9567   24.047   12.800   33.394   12.537   12.805   3.5815   15.161   3.1804 -2.355542 4.789798 
1 1 1   18   14  -33 o   33.091   1.3675  148.287   12.154  141.877   15.254  159.433   20.115   32.232   1.7688   34.018   2.2136 -1.785694 2.833447 
1 1 1   18   14  -32 o   12.497   2.5654   22.295   8.3224   29.231   11.956   15.776   11.592   14.184   3.2129   10.698   3.5009 3.485643 4.751712 
1 1 1   18   14  -31 o   6.4638   2.8070  -1.0078   9.0556 -25.3291   14.407   14.878   11.643   5.8076   2.8331   10.498   3.5118 -4.690765 4.512069 
1 1 1   18   14  -30 o   43.432   1.0208  254.314   11.909  249.918   15.142  261.441   19.281   43.001   1.3110   43.903   1.6351 -0.9023552 2.095774 
1 1 1   18   14  -29 o   4.5659   2.0329  -1.8778   5.0296  -6.8144   6.4965   5.5084   7.9465   4.4836   2.1081   7.4715   2.8500 -2.987917 3.544918 
1 1 1   18   14  -28 o   17.628   1.3950   42.260   6.5512   39.671   9.0160   45.156   9.5353   16.958   2.0192   18.112   1.9930 -1.154854 2.837116 
1 1 1   18   14  -27 o   25.341   1.0719   86.558   7.2959   94.811   9.9680   77.034   10.708   26.451   1.4082   23.785   1.6871 2.665596 2.197506 
1 1 1   18   14  -26 o   56.206   1.0268  425.611   15.501  424.555   23.299  426.450   20.764   56.022   1.5484   56.190   1.3758 -0.1677017 2.071326 
1 1 1   18   14  -25 o   17.188   1.3834   40.150   6.3324   37.273   8.7632   43.294   9.1608   16.441   2.0273   17.753   1.9536 -1.311167 2.815413 
1 1 1   18   14  -24 o   22.253   1.1837   66.954   7.0493   72.467   9.1429   58.873   11.070   23.111   1.4807   20.725   2.0140 2.386642 2.499744 
1 1 1   18   14  -23 o   19.499   1.0198   51.346   5.3227   61.468   6.8268   35.654   8.5002   21.319   1.1971   16.084   2.0116 5.235098 2.340868 
1 1 1   18   14  -22 o   41.991   0.8106  237.210   9.1426  248.549   11.837  220.441   14.394   42.961   1.0258   40.421   1.3258 2.539696 1.676359 
1 1 1   18   14  -21 o   65.990   0.8224  585.823   14.576  588.958   19.542  581.891   21.883   66.122   1.1004   65.697   1.2401 0.4251633 1.657951 
1 1 1   18   14  -20 o   13.739   1.4336   25.750   5.2125   27.611   6.3960   22.071   8.9944   14.187   1.7132   12.469   2.7588 1.718575 3.247413 
1 1 1   18   14  -19 o   40.330   0.8326  218.786   9.0194  202.859   13.498  231.635   12.123   38.790   1.2955   41.474   1.0883 -2.683693 1.691986 
1 1 1   18   14  -18 f   4.8367   2.0634  -0.0772   4.7295   2.4268   6.0582  -3.9847   7.5679   6.0791   2.4375   5.4129   2.4448 0.6662545 3.452325 
1 1 1   18   14  -17 o   6.7753   2.2628   5.8790   4.8338   4.9361   6.3310   7.1969   7.4850   6.8769   2.5610   7.8462   2.8055 -0.9692483 3.798623 
1 1 1   18   14  -16 o   51.397   0.7439  355.160   10.270  361.699   14.386  348.365   14.666   51.842   1.0332   50.873   1.0733 0.9687576 1.489780 
1 1 1   18   14  -15 o   34.522   0.8764  160.283   8.1267  158.675   11.358  161.969   11.632   34.324   1.2320   34.677   1.2489 -0.3531532 1.754331 
1 1 1   18   14  -14 o   67.181   0.8604  606.923   15.526  627.587   24.924  593.820   19.847   68.248   1.3597   66.423   1.1124 1.825073 1.756792 
1 1 1   18   14  -13 o   32.428   0.8662  141.402   7.5447  139.755   11.199  142.771   10.209   32.213   1.2944   32.567   1.1671 -0.3543625 1.742867 
1 1 1   18   14  -12 o   78.709   0.8234  832.902   17.407  817.722   24.337  848.802   24.908   77.946   1.1625   79.413   1.1678 -1.466660 1.647712 
1 1 1   18   14  -11 o   50.620   0.7352  344.414   9.9965  341.225   14.023  347.709   14.254   50.364   1.0366   50.840   1.0439 -0.4756775 1.471145 
1 1 1   18   14  -10 o   81.152   0.8299  885.342   18.089  869.835   25.344  901.444   25.826   80.396   1.1737   81.844   1.1748 -1.447578 1.660658 
1 1 1   18   14   -9 o   64.961   0.7652  567.206   13.351  572.025   18.924  562.432   18.838   65.209   1.0805   64.659   1.0847 0.5495071 1.531042 
1 1 1   18   14   -8 o   45.822   0.7955  282.231   9.7901  279.269   12.763  286.465   15.261   45.566   1.0428   46.136   1.2315 -0.5692329 1.613714 
1 1 1   18   14   -7 o   43.468   0.8454  253.997   9.8697  255.549   12.364  251.269   16.386   43.588   1.0561   43.195   1.4124 0.3929558 1.763560 
1 1 1   18   14   -6 o   41.763   0.8251  234.455   9.2554  228.402   11.910  243.680   14.705   41.208   1.0761   42.549   1.2867 -1.341442 1.677399 
1 1 1   18   14   -5 o   30.435   0.8751  124.525   7.1537  123.796   9.6432  125.418   10.668   30.333   1.1836   30.525   1.3012 -0.1920547 1.758974 
1 1 1   18   14   -4 o   23.344   0.9399   73.268   5.8930   72.757   8.5226   73.737   8.1573   23.207   1.3734   23.370   1.3048 -0.1629887 1.894411 
1 1 1   18   14   -3 o   30.802   0.8159  127.528   6.7501  128.857   9.8224  126.339   9.2920   30.948   1.1817   30.646   1.1289 0.3014431 1.634223 
1 1 1   18   14   -2 o   21.062   1.0095   59.654   5.7108   57.778   8.2355   61.392   7.9261   20.658   1.4943   21.309   1.3925 -0.6504211 2.042565 
1 1 1   18   14   -1 o   21.272   1.0468   60.853   5.9806   62.611   9.1510   59.542   7.9016   21.498   1.5962   20.982   1.4103 0.5157642 2.129957 
1 1 1   18   14    0 o   66.169   0.8025  588.476   14.263  604.426   21.516  575.971   19.050   67.025   1.1951   65.439   1.0839 1.585976 1.613425 
1 1 1   18   14    1 o   31.743   0.8586  135.449   7.3204  135.027   11.514  135.735   9.4839   31.671   1.3536   31.766   1.1115 -0.9522820E-01 1.751477 
1 1 1   18   14    2 o   48.907   0.7327  321.442   9.6249  308.994   13.659  333.718   13.564   47.932   1.0610   49.816   1.0138 -1.883846 1.467458 
1 1 1   18   14    3 o   21.208   1.0027   60.484   5.7114   54.472   8.2758   65.952   7.8923   20.049   1.5488   22.095   1.3362 -2.045685 2.045557 
1 1 1   18   14    4 o   43.966   0.7838  259.809   9.2555  264.868   14.067  255.947   12.291   44.369   1.1804   43.624   1.0490 0.7451668 1.579115 
1 1 1   18   14    5 o   95.583   0.9097  1228.30   23.354  1223.46   33.033  1233.14   33.023   95.341   1.2900   95.718   1.2845 -0.3772507 1.820407 
1 1 1   18   14    6 o   54.536   0.7835  399.758   11.477  410.262   17.401  391.671   15.268   55.219   1.1733   53.964   1.0534 1.255810 1.576764 
1 1 1   18   14    7 o   56.486   0.7873  428.859   11.945  423.748   17.900  432.963   16.039   56.117   1.1876   56.736   1.0525 -0.6188469 1.586861 
1 1 1   18   14    8 o   6.0383   2.2675   3.6374   4.9836  -0.2970   6.9546   7.7901   7.1449   5.8286   2.4947   7.9612   2.7494 -2.132549 3.712559 
1 1 1   18   14    9 o   28.938   0.8676  112.581   6.7433  116.884   9.5267  108.260   9.5463   29.470   1.2035   28.360   1.2533 1.110558 1.737580 
1 1 1   18   14   10 o   37.736   0.8784  191.461   8.9030  189.037   11.743  194.738   13.653   37.480   1.1665   38.028   1.3367 -0.5487518 1.774115 
1 1 1   18   14   11 o   50.726   0.7640  345.882   10.409  356.114   14.671  335.514   14.769   51.449   1.0617   49.936   1.1012 1.513554 1.529620 
1 1 1   18   14   12 o   88.183   0.9133  1045.73   21.633  1068.66   29.454  1018.86   31.876   89.095   1.2308   86.970   1.3646 2.125275 1.837674 
1 1 1   18   14   13 o   36.288   0.8296  177.050   8.0856  176.308   10.722  178.027   12.312   36.196   1.1029   36.360   1.2607 -0.1644936 1.675005 
1 1 1   18   14   14 o   48.406   0.7594  315.001   9.8729  315.840   13.803  314.123   14.127   48.447   1.0608   48.312   1.0887 0.1344490 1.520035 
1 1 1   18   14   15 o   38.380   0.9063  198.128   9.3425  193.195   13.485  202.682   12.956   37.866   1.3259   38.792   1.2434 -0.9263306 1.817727 
1 1 1   18   14   16 o   89.095   0.9242  1067.85   22.116  1058.78   29.747  1079.05   33.068   88.654   1.2493   89.469   1.3761 -0.8151550 1.858574 
1 1 1   18   14   17 o   13.318   1.9572   24.511   6.7922   30.966   9.1875   16.731   10.087   14.920   2.3721   10.945   3.2175 3.974311 3.997424 
1 1 1   18   14   18 f   59.715   0.8241  479.607   13.218  473.711   19.368  484.748   18.084   59.295   1.2161   59.996   1.1222 -0.7012482 1.654795 
1 1 1   18   14   19 o   21.215   1.1681   60.819   6.6306   66.843   9.0484   53.833   9.7445   22.198   1.5269   19.859   1.8481 2.339220 2.397261 
1 1 1   18   14   20 o   56.537   0.8217  429.970   12.477  445.232   18.509  417.257   16.893   57.478   1.1989   55.654   1.1301 1.824219 1.647546 
1 1 1   18   14   21 o   38.713   0.8731  201.663   9.0789  196.803   13.159  206.077   12.542   38.201   1.2825   39.102   1.1942 -0.9005508 1.752403 
1 1 1   18   14   22 o   18.223   1.2801   45.005   6.2256   45.819   8.2690   43.940   9.4592   18.324   1.6994   17.886   2.0035 0.4389400 2.627155 
1 1 1   18   14   23 o   47.576   0.8433  304.568   10.776  302.992   13.820  307.011   17.211   47.423   1.0850   47.695   1.3435 -0.2725449 1.726901 
1 1 1   18   14   24 o   26.500   0.9718   94.559   6.9168  100.302   9.2925   87.425   10.358   27.267   1.2688   25.386   1.5262 1.880951 1.984717 
1 1 1   18   14   25 o   23.911   1.1036   77.056   7.0878   78.403   9.7190   75.526   10.359   24.035   1.5132   23.565   1.6470 0.4699001 2.236611 
1 1 1   18   14   26 o   31.619   0.9334  134.619   7.9268  124.995   11.381  143.685   11.046   30.419   1.3930   32.631   1.2604 -2.212252 1.878605 
1 1 1   18   14   27 o   19.990   1.3739   54.234   7.3320   55.971   9.9032   52.128   10.907   20.225   1.8433   19.453   2.1220 0.7723179 2.810779 
1 1 1   18   14   28 o   36.070   0.9770  175.279   9.4649  184.704   12.497  162.599   14.495   36.988   1.2579   34.656   1.5572 2.332253 2.001796 
1 1 1   18   14   29 o   7.2258   2.5498   6.3306   6.1631  -1.1826   7.9070   17.962   9.8381   6.0066   2.6157   11.207   3.1417 -5.200906 4.088095 
1 1 1   18   14   30 o   39.546   0.9074  210.674   9.6387  229.243   14.075  194.276   13.227   41.192   1.2722   37.915   1.2988 3.276276 1.818064 
1 1 1   18   14   31 o   35.764   0.9288  172.361   8.9222  170.265   12.641  174.441   12.595   35.482   1.3264   35.919   1.3055 -0.4364433 1.861110 
1 1 1   18   14   32 o   15.783   1.6237   34.173   6.7850   43.374   9.2896   23.653   9.9334   17.718   1.9862   12.795   2.9507 4.923485 3.556945 
1 1 1   18   14   33 o   30.595   1.0108  126.284   8.3064  140.397   11.385  110.220   12.146   32.209   1.3160   28.443   1.5963 3.765226 2.068858 
1 1 1   18   14   34 o   9.0436   2.4365   11.669   6.0515   7.4985   7.5797   19.001   10.050   7.8772   2.8225   11.448   3.1633 -3.571047 4.239465 
1 1 1   18   14   35 o   12.414   2.0761   21.655   6.6780   16.222   8.7069   29.417   10.407   10.608   2.9492   14.308   2.8083 -3.700039 4.072368 
1 1 1   18   14   36 o   29.833   1.0147  120.120   8.1309  121.910   10.817  117.796   12.328   29.998   1.3426   29.401   1.5668 0.5967731 2.063300 
1 1 1   18   14   37 o   20.293   1.2452   55.930   6.7546   51.985   8.0902   65.009   12.273   19.499   1.5577   21.663   2.1371 -2.163750 2.644517 
1 1 1   18   14   38 o   20.163   1.2003   55.179   6.4707   50.981   7.6100   66.135   12.294   19.324   1.4774   21.852   2.1214 -2.527451 2.585130 
1 1 1   18   14   39 o   29.415   1.0450  116.858   8.2563  115.499   10.444  119.122   13.482   29.192   1.3320   29.513   1.7081 -0.3205051 2.166044 
1 1 1   18   14   40 o   11.471   2.1702   18.688   6.4413   17.204   7.8994   21.631   11.127   10.890   2.7111   12.122   3.3200 -1.231043 4.286368 
1 1 1   18   14   41 o   20.073   1.7380   55.491   9.2779   55.038   11.715   56.253   15.195   19.830   2.2387   19.768   2.9524 0.6222916E-01 3.705166 
1 1 1   18   14   42 f   11.294   3.2478   18.864   10.379   33.134   16.338   9.2081   13.439   14.660   4.0261   9.3935   3.6732 5.266888 5.449897 
1 1 1   18   14   43 o   18.083   2.6554   47.119   12.513   51.000   18.448   43.811   17.029   18.177   3.8958   16.840   3.8489 1.336061 5.476460 
1 1 1   18   14   44 o   10.246   3.6509   14.625   12.665   11.595   17.979   17.609   17.844   10.400   4.1888   11.354   4.2851 -0.9533701 5.992327 
1 1 1   18   14   45 o   6.1606   2.8843  -9.5837   11.945 -19.8395   17.538  -0.7099   16.314   6.8738   3.2969   8.3357   3.6888 -1.461883 4.947432 
1 1 1   18   14   46 o   16.334   2.8695   39.994   12.129   36.997   17.315   42.881   16.996   14.906   4.1643   16.227   3.9392 -1.321082 5.732274 
1 1 1   18   14   47 o   5.9513   2.9252 -27.7072   16.263   0.0000   0.0000 -27.7072   16.263  ?   ?    5.9513   2.9252 0.000000 2.925208 
1 1 1   18   14   48 o   7.2334   3.3791  -9.0271   16.242   0.0000   0.0000  -9.0271   16.242  ?   ?    7.2334   3.3791 0.000000 3.379078 
1 1 1   18   15  -45 o   24.264   4.2274   97.280   26.549   0.0000   0.0000   97.280   26.549  ?   ?    24.264   4.2274 0.000000 4.227447 
1 1 1   18   15  -44 o   9.0826   3.8440   5.6427   16.190   0.0000   0.0000   5.6427   16.190  ?   ?    9.0826   3.8440 0.000000 3.844011 
1 1 1   18   15  -43 o   25.430   2.6115   93.252   17.584  127.000   43.022   86.484   19.267   25.961   6.2459   24.202   3.0303 1.758472 6.942218 
1 1 1   18   15  -42 o   14.851   3.3004   33.367   12.823   47.104   18.590   20.898   17.711   17.274   4.0731   11.972   4.3119 5.301919 5.931501 
1 1 1   18   15  -41 o   19.020   2.4696   51.491   12.319   51.049   17.485   51.928   17.358   18.349   3.6760   18.543   3.6150 -0.1942940 5.155700 
1 1 1   18   15  -40 o   40.162   1.4383  219.564   15.515  252.950   22.656  190.082   21.290   42.857   1.9682   37.006   2.1513 5.851269 2.915813 
1 1 1   18   15  -39 o   16.252   2.1348   37.003   9.0932   51.440   13.147   23.762   12.591   19.019   2.6452   12.633   3.5587 6.385864 4.434120 
1 1 1   18   15  -38 o   17.070   2.4570   41.176   10.940   36.994   16.101   44.763   14.911   15.674   3.8520   17.495   3.2940 -1.821522 5.068385 
1 1 1   18   15  -37 o   15.241   2.8756   33.491   11.340   51.125   17.253   20.080   15.046   18.632   3.5777   11.919   3.9921 6.712139 5.360681 
1 1 1   18   15  -36 o   45.612   1.1979  281.455   14.676  302.943   23.520  267.754   18.781   47.080   1.8600   44.370   1.5759 2.709484 2.437850 
1 1 1   18   15  -35 o   18.595   2.6030   48.856   12.644   61.160   19.544   39.998   16.583   20.384   3.7061   16.360   3.8397 4.024601 5.336526 
1 1 1   18   15  -34 o   20.755   1.9518   59.445   10.753   49.487   16.552   66.717   14.144   18.390   3.4784   21.837   2.4540 -3.446516 4.256901 
1 1 1   18   15  -33 o   12.710   3.1487   23.606   10.694   14.629   17.740   28.731   13.403   11.226   4.2639   13.937   3.5658 -2.710626 5.558436 
1 1 1   18   15  -32 o   22.579   1.8094   69.964   10.881   79.499   13.567   52.774   18.216   23.983   2.1282   18.931   3.7152 5.051973 4.281579 
1 1 1   18   15  -31 o   37.092   1.0016  185.620   9.9787  185.276   12.670  186.182   16.194   37.005   1.2747   37.009   1.6292 -0.3501892E-02 2.068609 
1 1 1   18   15  -30 o   60.218   0.8763  488.616   14.173  483.661   19.939  493.676   20.149   59.811   1.2412   60.427   1.2415 -0.6159706 1.755487 
1 1 1   18   15  -29 o   48.471   0.8686  316.496   11.308  335.250   16.068  298.091   15.917   49.816   1.2009   46.960   1.2620 2.856361 1.742031 
1 1 1   18   15  -28 o   14.224   1.7062   27.857   6.3884   23.245   8.3740   34.278   9.8810   12.789   2.5275   15.626   2.4335 -2.837090 3.508582 
1 1 1   18   15  -27 o   24.625   1.1319   81.819   7.4863   78.661   10.391   85.226   10.795   24.034   1.6192   25.022   1.6148 -0.9878960 2.286755 
1 1 1   18   15  -26 o   21.577   1.2736   63.090   7.3479   72.111   9.7105   51.004   11.240   23.020   1.5801   19.203   2.2201 3.816586 2.724975 
1 1 1   18   15  -25 o   10.250   2.3654   14.930   6.3799   19.398   9.8774   11.733   8.3570   11.630   3.1042   9.2876   2.9670 2.341986 4.294066 
1 1 1   18   15  -24 o   24.970   0.9701   83.985   6.5060   91.072   8.2139   72.053   10.658   25.984   1.1769   22.989   1.7390 2.995245 2.099850 
1 1 1   18   15  -23 o   69.411   0.8442  648.439   15.739  648.333   21.033  648.574   23.727   69.345   1.1293   69.321   1.2743 0.2415466E-01 1.702700 
1 1 1   18   15  -22 o   13.532   1.8159   25.264   6.4335   27.897   7.5636   18.372   12.235   14.185   2.0443   11.484   3.5799 2.700799 4.122518 
1 1 1   18   15  -21 o   34.062   0.9492  156.225   8.6839  155.076   11.362  157.838   13.467   33.905   1.2476   34.176   1.4671 -0.2712059 1.925839 
1 1 1   18   15  -20 o   44.379   0.7688  264.931   9.1637  264.873   12.573  264.998   13.384   44.341   1.0557   44.342   1.1238 -0.1235962E-02 1.541853 
1 1 1   18   15  -19 o   25.927   0.9150   90.481   6.3719   92.953   8.5071   87.322   9.6170   26.257   1.2063   25.391   1.4158 0.8655033 1.859988 
1 1 1   18   15  -18 o   31.616   0.8334  134.481   7.0773  136.463   9.6163  132.139   10.454   31.824   1.1250   31.304   1.2433 0.5197906 1.676745 
1 1 1   18   15  -17 o   32.315   0.8963  140.528   7.7794  140.712   11.359  140.365   10.676   32.299   1.3093   32.268   1.2319 0.3171921E-01 1.797732 
1 1 1   18   15  -16 o   26.371   0.9159   93.586   6.4872   96.856   8.6084   89.288   9.8690   26.809   1.1955   25.681   1.4365 1.127916 1.868923 
1 1 1   18   15  -15 o   11.366   1.7714   17.884   5.2317   14.314   6.7725   23.166   8.2385   10.055   2.5142   12.832   2.4801 -2.776708 3.531605 
1 1 1   18   15  -14 o  102.853   1.0444  1424.16   28.851  1464.38   45.783  1397.68   37.157  104.110   1.6373  101.806   1.3589 2.303833 2.127719 
1 1 1   18   15  -13 o   31.376   0.9828  132.486   8.2828  144.743   13.489  125.067   10.494   32.747   1.5336   30.463   1.2826 2.283895 1.999252 
1 1 1   18   15  -12 o   25.892   1.2037   90.298   8.3708   75.736   14.942   96.959   10.105   23.490   2.4021   26.778   1.4100 -3.288263 2.785392 
1 1 1   18   15  -11 o   34.204   0.8291  157.330   7.6169  160.504   10.938  154.342   10.613   34.523   1.1796   33.855   1.1672 0.6681709 1.659443 
1 1 1   18   15  -10 o   41.946   0.7577  236.547   8.5365  238.594   12.081  234.505   12.064   42.104   1.0683   41.741   1.0760 0.3629913 1.516289 
1 1 1   18   15   -9 o   26.389   0.9297   93.667   6.5894   94.219   8.9128   93.001   9.7859   26.449   1.2546   26.232   1.3939 0.2171001 1.875409 
1 1 1   18   15   -8 o   59.053   0.8296  468.901   13.158  466.964   16.908  471.874   20.951   58.907   1.0687   59.184   1.3180 -0.2773132 1.696783 
1 1 1   18   15   -7 o   22.567   1.1228   68.545   6.8056   71.018   8.4916   64.103   11.380   22.916   1.3861   21.686   1.9754 1.230045 2.413182 
1 1 1   18   15   -6 o   82.141   0.9184  907.429   20.262  913.863   26.324  898.077   31.738   82.392   1.1895   81.630   1.4476 0.7620468 1.873622 
1 1 1   18   15   -5 o   51.735   0.7471  359.775   10.381  355.673   14.677  363.881   14.685   51.414   1.0628   52.005   1.0513 -0.5908661 1.494969 
1 1 1   18   15   -4 o   40.617   0.7630  221.768   8.3237  230.103   11.997  214.031   11.558   41.354   1.0801   39.883   1.0790 1.470291 1.526696 
1 1 1   18   15   -3 o   40.418   0.8009  219.619   8.6947  208.453   13.183  228.217   11.567   39.348   1.2474   41.187   1.0456 -1.838596 1.627674 
1 1 1   18   15   -2 o   17.356   1.2426   40.763   5.7545   35.881   8.9239   44.238   7.5289   16.154   2.1069   18.046   1.5689 -1.892021 2.626833 
1 1 1   18   15   -1 o   29.145   0.9006  114.226   7.0502  109.481   10.895  117.644   9.2474   28.506   1.4230   29.565   1.1645 -1.059380 1.838742 
1 1 1   18   15    0 o   17.811   1.1848   42.888   5.6359   44.247   8.2987   41.726   7.6782   18.026   1.7355   17.512   1.6520 0.5141239 2.396036 
1 1 1   18   15    1 o   31.333   0.8232  131.988   6.9279  136.309   10.134  128.198   9.4922   31.823   1.1857   30.864   1.1450 0.9589825 1.648325 
1 1 1   18   15    2 o   38.210   0.7650  196.256   7.8512  178.872   11.081  213.778   11.125   36.458   1.1316   39.863   1.0391 -3.405277 1.536323 
1 1 1   18   15    3 o   52.580   0.7461  371.624   10.537  378.063   15.130  365.559   14.683   53.009   1.0627   52.127   1.0487 0.8827095 1.493032 
1 1 1   18   15    4 o   66.603   0.8135  596.383   14.554  612.340   21.958  583.883   19.435   67.443   1.2122   65.872   1.0985 1.571541 1.635875 
1 1 1   18   15    5 o   67.674   0.8163  615.733   14.838  599.745   21.962  629.159   20.125   66.743   1.2251   68.377   1.0958 -1.634270 1.643678 
1 1 1   18   15    6 o   26.560   0.9102   94.873   6.4929  102.261   9.3292   87.933   9.0423   27.557   1.2604   25.516   1.3239 2.040911 1.827969 
1 1 1   18   15    7 o   40.693   0.8122  222.638   8.8775  214.908   13.260  228.917   11.951   39.950   1.2358   41.244   1.0788 -1.294601 1.640423 
1 1 1   18   15    8 o   55.647   0.8727  416.432   13.044  414.356   17.830  418.824   19.133   55.475   1.1966   55.763   1.2775 -0.2883110 1.750387 
1 1 1   18   15    9 o   27.425   0.9821  101.192   7.2343  109.983   9.4473   88.729   11.248   28.577   1.2308   25.588   1.6454 2.989567 2.054828 
1 1 1   18   15   10 o   10.518   1.9802   15.452   5.3889   18.982   7.3707   11.397   7.8988   11.610   2.4412   9.1806   2.8788 2.429085 3.774493 
1 1 1   18   15   11 o   55.425   0.7566  413.011   11.263  406.961   15.721  419.390   16.145   54.987   1.0645   55.818   1.0769 -0.8318825 1.514195 
1 1 1   18   15   12 o   43.541   0.8000  254.936   9.3552  264.913   12.603  242.693   13.962   44.363   1.0577   42.445   1.2247 1.917934 1.618193 
1 1 1   18   15   13 o   44.175   0.8349  262.459   9.9063  260.014   13.726  265.118   14.312   43.937   1.1631   44.362   1.2011 -0.4248505 1.671970 
1 1 1   18   15   14 o   76.006   0.9611  777.430   19.620  747.141   29.009  802.965   26.636   74.412   1.4514   77.182   1.2849 -2.769142 1.938457 
1 1 1   18   15   15 o   51.254   0.8763  353.426   12.064  350.610   17.474  355.990   16.675   50.998   1.2757   51.398   1.2079 -0.3998146 1.756836 
1 1 1   18   15   16 o   6.3674   2.4558   3.6466   5.9435   6.3821   7.7815  -0.1841   9.2083   7.6858   2.8438   6.7059   2.8704 0.9798822 4.040607 
1 1 1   18   15   17 o   58.284   0.8431  457.024   13.199  456.090   18.164  458.068   19.213   58.177   1.1624   58.292   1.2271 -0.1146355 1.690291 
1 1 1   18   15   18 o   45.164   0.8614  274.471   10.449  288.041   14.223  258.561   15.401   46.233   1.1454   43.780   1.3098 2.452896 1.739964 
1 1 1   18   15   19 o   39.520   0.8072  210.116   8.5686  214.618   11.696  204.900   12.589   39.912   1.0911   38.984   1.2023 0.9276123 1.623542 
1 1 1   18   15   20 o   13.827   1.6103   26.205   5.8684   27.004   7.3834   24.836   9.6703   13.959   2.0287   13.213   2.8112 0.7458735 3.466760 
1 1 1   18   15   21 o   22.229   1.1350   66.779   6.7542   73.681   9.3293   59.177   9.7911   23.300   1.4987   20.824   1.7672 2.475620 2.317109 
1 1 1   18   15   22 o   45.451   0.8560  278.029   10.449  273.644   13.305  285.089   16.881   45.059   1.0993   45.946   1.3679 -0.8873520 1.754939 
1 1 1   18   15   23 o   10.909   2.1059   16.730   5.9467   22.058   7.3657   6.7562   10.078   12.532   2.2720   8.3495   3.2037 4.182252 3.927528 
1 1 1   18   15   24 o   24.266   1.0935   79.383   7.1270   76.156   9.1221   84.438   11.418   23.692   1.4403   24.900   1.7178 -1.208019 2.241746 
1 1 1   18   15   25 o   10.733   2.1870   16.268   6.0906   19.420   7.6301   10.731   10.111   11.690   2.5054   9.2848   3.2671 2.405051 4.117149 
1 1 1   18   15   26 o   34.071   0.9981  156.438   9.1337  154.263   12.781  158.709   13.058   33.776   1.4088   34.257   1.4191 -0.4815521 1.999678 
1 1 1   18   15   27 o   3.9220   1.9113 -11.6756   6.5107  -9.7067   9.6471 -13.3225   8.8231   5.4851   2.5757   4.7792   2.3041 0.7059426 3.455860 
1 1 1   18   15   28 o   24.412   1.2090   80.486   7.9270   88.923   12.172   74.272   10.446   25.515   1.7875   23.332   1.6781 2.182856 2.451747 
1 1 1   18   15   29 o   10.852   2.2040   16.688   6.2048   15.909   8.1964   17.734   9.4963   10.531   2.8350   11.103   3.0776 -0.5728111 4.184325 
1 1 1   18   15   30 o   13.358   1.7931   24.714   6.2707   22.701   8.1952   27.558   9.7399   12.622   2.5057   13.884   2.7091 -1.261863 3.690273 
1 1 1   18   15   31 o   33.776   0.9460  153.838   8.5820  151.279   11.890  156.621   12.399   33.428   1.3243   34.006   1.3575 -0.5782585 1.896463 
1 1 1   18   15   32 o   16.682   1.5809   38.144   6.9989   40.132   8.9697   35.050   11.190   17.014   2.0010   15.664   2.7606 1.349957 3.409539 
1 1 1   18   15   33 o   6.4778   2.4273   4.4433   5.7047   2.9822   7.1205   7.0619   9.5326   6.5526   2.6372   8.2103   3.1239 -1.657665 4.088237 
1 1 1   18   15   34 o   55.701   0.8189  418.072   12.252  427.307   16.769  407.499   17.942   56.234   1.1103   54.881   1.2172 1.352947 1.647512 
1 1 1   18   15   35 o   32.156   0.9206  139.458   7.9511  130.143   10.137  154.355   12.819   31.014   1.2169   33.731   1.4149 -2.717531 1.866231 
1 1 1   18   15   36 o   11.795   1.7653   19.379   5.4208   16.696   6.2178   27.877   11.067   10.829   2.2125   13.832   3.0599 -3.002645 3.775987 
1 1 1   18   15   37 o   12.902   1.6338   23.013   5.5347   21.978   6.4170   26.021   10.937   12.522   1.9733   13.335   3.1107 -0.8124218 3.683784 
1 1 1   18   15   38 o   23.328   1.4278   74.180   8.9034   86.027   11.562   56.921   13.955   25.046   1.7294   20.044   2.6576 5.001223 3.170744 
1 1 1   18   15   39 o   38.291   1.0343  198.165   10.638  214.036   14.553  179.956   15.588   39.701   1.3648   36.330   1.5975 3.371677 2.101097 
1 1 1   18   15   40 o   23.366   1.8380   75.378   11.442   96.444   18.269   61.783   14.677   26.090   2.6435   20.813   2.6883 5.277363 3.770296 
1 1 1   18   15   41 o   27.630   1.7928  105.369   13.233  107.153   18.644  103.558   18.784   27.490   2.5543   26.982   2.6252 0.5083733 3.662777 
1 1 1   18   15   42 o   19.149   2.6266   52.876   13.153   52.210   19.730   53.409   17.647   18.169   4.1359   18.689   3.6466 -0.5195675 5.513867 
1 1 1   18   15   43 o   9.8452   3.6790   12.712   13.087   16.009   19.978   10.233   17.322   11.249   4.4537   10.035   4.0863 1.213757 6.044250 
1 1 1   18   15   44 o   25.746   2.0715   93.638   14.203  125.247   22.170   71.633   18.498   29.173   2.8664   21.720   3.2724 7.453217 4.350294 
1 1 1   18   15   45 o   6.5213   3.1232 -16.7791   15.608   0.0000   0.0000 -16.7791   15.608  ?   ?    6.5213   3.1232 0.000000 3.123168 
1 1 1   18   15   46 o   19.684   3.6198   62.306   18.433   0.0000   0.0000   62.306   18.433  ?   ?    19.684   3.6198 0.000000 3.619810 
1 1 1   18   15   47 o   10.098   4.3747   10.150   21.891   0.0000   0.0000   10.150   21.891  ?   ?    10.098   4.3747 0.000000 4.374713 
1 1 1   18   16  -44 o   16.005   5.1927   49.060   25.523   0.0000   0.0000   49.060   25.523  ?   ?    16.005   5.1927 0.000000 5.192745 
1 1 1   18   16  -43 o   11.026   4.2271   17.497   17.537   0.0000   0.0000   17.497   17.537  ?   ?    11.026   4.2271 0.000000 4.227127 
1 1 1   18   16  -42 o   15.499   4.3853   40.116   19.075   0.0000   0.0000   40.116   19.075  ?   ?    15.499   4.3853 0.000000 4.385278 
1 1 1   18   16  -41 o   36.905   1.6388  187.435   16.244  167.925   23.510  205.259   22.471   34.251   2.5744   38.197   2.1996 -3.946133 3.386058 
1 1 1   18   16  -40 o   29.165   1.7572  117.493   13.701  138.663   20.640  100.819   18.318   31.277   2.4773   26.571   2.6001 4.705515 3.591249 
1 1 1   18   16  -39 o   21.834   2.2041   66.859   12.749   63.588   18.556   69.784   17.545   20.673   3.4645   21.896   3.0675 -1.223284 4.627346 
1 1 1   18   16  -38 o   28.058   1.7977  108.366   13.477   96.265   19.060  120.466   19.058   26.005   2.7715   29.295   2.4445 -3.289656 3.695492 
1 1 1   18   16  -37 o   24.710   1.7354   83.872   11.445  108.183   21.859   74.692   13.433   27.507   3.0077   23.159   2.1853 4.347973 3.717818 
1 1 1   18   16  -36 o   38.719   1.3690  203.463   14.237  224.383   21.672  187.583   18.882   40.422   1.9961   36.948   1.9092 3.474247 2.762172 
1 1 1   18   16  -35 o   15.985   2.6650   36.475   11.039   39.133   16.579   34.357   14.796   16.130   3.8751   15.168   3.6712 0.9623442 5.337971 
1 1 1   18   16  -34 o   8.4945   3.1918   8.0183   9.8775   12.456   15.959   5.2627   12.576   10.535   4.0340   8.5730   3.4853 1.961564 5.331088 
1 1 1   18   16  -33 o   38.132   1.0249  196.362   10.497  202.619   13.303  186.038   17.087   38.675   1.2806   36.930   1.7226 1.744656 2.146476 
1 1 1   18   16  -32 o   6.3767   2.5341   3.1773   6.4899   5.3227   7.4828  -3.3364   13.038   7.2454   2.7652   7.3921   3.2831 -0.1466384 4.292449 
1 1 1   18   16  -31 o   18.110   1.5663   44.918   7.5439   44.123   10.271   45.848   11.117   17.783   2.1971   18.087   2.3434 -0.3035851 3.212268 
1 1 1   18   16  -30 o   32.545   1.0064  142.962   8.7971  140.918   12.091  145.260   12.823   32.237   1.3965   32.715   1.4593 -0.4784126 2.019805 
1 1 1   18   16  -29 o   13.455   1.8298   25.130   6.4412   25.428   8.4321   24.713   9.9810   13.379   2.4362   13.062   2.9184 0.3171968 3.801592 
1 1 1   18   16  -28 o   37.135   0.9992  186.043   9.9664  200.513   12.991  165.346   15.537   38.502   1.2563   34.870   1.6589 3.631535 2.080899 
1 1 1   18   16  -27 o   46.928   0.8374  296.645   10.555  297.928   15.987  295.654   14.054   46.938   1.2681   46.794   1.1182 0.1435623 1.690644 
1 1 1   18   16  -26 o   38.456   0.8055  199.126   8.3198  200.351   11.153  197.588   12.492   38.534   1.0776   38.242   1.2162 0.2913170 1.624933 
1 1 1   18   16  -25 o   42.611   0.8073  244.457   9.2390  235.736   11.959  257.368   14.551   41.805   1.0651   43.647   1.2412 -1.841866 1.635505 
1 1 1   18   16  -24 o   23.980   1.2241   77.853   7.8581   88.444   11.171   67.478   11.056   25.485   1.6406   22.197   1.8720 3.288406 2.489169 
1 1 1   18   16  -23 o   65.932   0.8708  585.353   15.421  577.321   21.263  594.266   22.398   65.397   1.2105   66.336   1.2571 -0.9394379 1.745182 
1 1 1   18   16  -22 f   34.164   0.8365  157.121   7.6755  161.746   10.342  151.449   11.453   34.632   1.1118   33.490   1.2732 1.142281 1.690330 
1 1 1   18   16  -21 o   24.531   0.9976   81.079   6.5727   77.334   8.5678   86.435   10.246   23.889   1.3407   25.229   1.5191 -1.340094 2.026137 
1 1 1   18   16  -20 o   33.033   0.9611  146.970   8.5272  150.464   10.211  138.919   15.501   33.403   1.1381   31.946   1.8140 1.457758 2.141489 
1 1 1   18   16  -19 o   39.518   0.9820  210.352   10.423  202.965   13.170  222.734   17.050   38.780   1.2644   40.572   1.5646 -1.791672 2.011656 
1 1 1   18   16  -18 o   8.2068   2.5021   9.2626   6.0155   10.384   8.0633   7.8545   9.0334   8.8584   2.9209   8.3572   3.0688 0.5011578 4.236657 
1 1 1   18   16  -17 o   62.727   0.7818  529.364   13.171  527.197   18.286  531.699   18.987   62.546   1.0885   62.805   1.1255 -0.2589188 1.565797 
1 1 1   18   16  -16 o   18.663   1.1635   47.138   5.8034   48.665   7.5153   44.882   9.1340   18.918   1.4911   18.089   1.9088 0.8287563 2.422164 
1 1 1   18   16  -15 o   43.738   0.7741  257.339   9.0941  268.347   12.571  245.253   13.172   44.633   1.0486   42.656   1.1497 1.976971 1.556109 
1 1 1   18   16  -14 o   30.219   0.8605  122.883   6.9840  126.358   9.4077  118.617   10.424   30.620   1.1439   29.651   1.3089 0.9689922 1.738308 
1 1 1   18   16  -13 o   33.388   0.8332  149.981   7.4721  151.536   10.193  148.173   10.986   33.535   1.1316   33.150   1.2339 0.3847046 1.674208 
1 1 1   18   16  -12 o   22.901   1.0200   70.618   6.2738   72.092   8.4306   68.789   9.3922   23.074   1.3664   22.509   1.5632 0.5655079 2.076216 
1 1 1   18   16  -11 o   5.2837   2.3168  -1.4723   6.2986  -3.0261   9.5995  -0.2977   8.3464   6.3769   2.8254   6.3648   2.7288 0.1211023E-01 3.928039 
1 1 1   18   16  -10 o   25.232   1.1333   85.764   7.6802   89.608   11.420   82.589   10.377   25.693   1.6638   24.676   1.5739 1.016727 2.290341 
1 1 1   18   16   -9 o   67.123   0.8994  606.212   16.215  602.177   23.674  609.777   22.254   66.826   1.3189   67.264   1.2318 -0.4378586 1.804692 
1 1 1   18   16   -8 o   41.819   0.8231  235.224   9.2456  241.506   14.129  230.520   12.226   42.332   1.2427   41.374   1.1002 0.9582634 1.659763 
1 1 1   18   16   -7 o   83.635   0.9246  941.177   20.770  900.352   31.898  971.228   27.367   81.687   1.4539   84.905   1.2001 -3.217941 1.885175 
1 1 1   18   16   -6 o   64.733   0.8886  563.719   15.449  554.082   22.595  572.180   21.172   64.112   1.3122   65.169   1.2096 -1.056999 1.784590 
1 1 1   18   16   -5 o   65.584   0.9994  578.890   17.605  566.390   26.551  588.697   23.518   64.780   1.5259   66.084   1.3250 -1.303848 2.020920 
1 1 1   18   16   -4 o   67.736   0.9021  617.233   16.412  593.260   27.566  630.395   20.426   66.297   1.5481   68.424   1.1114 -2.127174 1.905747 
1 1 1   18   16   -3 o   68.742   0.8634  635.598   15.942  631.536   25.457  638.218   20.448   68.438   1.3849   68.849   1.1058 -0.4109650 1.772168 
1 1 1   18   16   -2 o   42.553   0.8131  243.511   9.2936  265.242   14.783  229.309   11.951   44.371   1.2404   41.272   1.0781 3.098747 1.643425 
1 1 1   18   16   -1 o   59.356   0.7605  473.699   12.124  453.886   17.055  493.938   17.238   58.064   1.0936   60.576   1.0595 -2.512276 1.522639 
1 1 1   18   16    0 o   89.386   0.8822  1074.73   21.180  1062.66   29.998  1086.74   29.908   88.810   1.2576   89.814   1.2398 -1.004692 1.765947 
1 1 1   18   16    1 o   58.975   0.7576  467.641   12.000  439.567   16.780  497.029   17.169   57.141   1.0934   60.767   1.0519 -3.625763 1.517215 
1 1 1   18   16    2 o   63.552   0.7722  543.068   13.180  530.035   18.664  556.032   18.615   62.744   1.1075   64.268   1.0784 -1.524551 1.545810 
1 1 1   18   16    3 o   44.603   0.7603  267.488   9.1078  280.493   13.245  255.825   12.544   45.646   1.0804   43.593   1.0713 2.052448 1.521499 
1 1 1   18   16    4 o   44.063   0.7894  261.086   9.3427  241.163   13.710  278.361   12.766   42.311   1.2064   45.475   1.0452 -3.163601 1.596156 
1 1 1   18   16    5 o   44.456   0.8895  265.860   10.621  272.741   19.621  263.008   12.631   44.938   1.6256   44.200   1.0639 0.7377319 1.942844 
1 1 1   18   16    6 o   29.279   1.0268  115.396   8.0750  129.319   13.150  106.966   10.231   30.906   1.5895   28.166   1.3525 2.739857 2.087000 
1 1 1   18   16    7 o   33.451   0.9759  150.592   8.7680  151.695   12.203  149.414   12.606   33.540   1.3546   33.281   1.4103 0.2588844 1.955438 
1 1 1   18   16    8 o   61.117   0.8830  502.531   14.494  500.202   24.657  503.760   17.917   60.872   1.5081   61.163   1.0906 -0.2916679 1.861162 
1 1 1   18   16    9 o   17.707   1.4051   42.563   6.6276   56.367   10.818   34.269   8.3857   20.294   2.0111   15.773   2.0263 4.521670 2.854858 
1 1 1   18   16   10 o   33.780   0.8780  153.525   7.9663  158.160   11.825  149.674   10.780   34.249   1.2854   33.326   1.2043 0.9233704 1.761429 
1 1 1   18   16   11 o   11.416   2.0023   18.180   5.9156   18.877   8.3560   17.480   8.3758   11.523   2.7399   11.089   2.8090 0.4341602 3.923923 
1 1 1   18   16   12 o   5.5464   2.4092  -0.9923   6.6735  -3.2029   10.804   0.3713   8.4858   6.7837   3.0020   6.5412   2.7765 0.2425618 4.089097 
1 1 1   18   16   13 o   55.435   0.8643  413.513   12.869  401.444   18.090  425.880   18.312   54.565   1.2343   56.205   1.2131 -1.639942 1.730630 
1 1 1   18   16   14 o   46.946   0.8468  296.556   10.677  302.678   14.768  289.851   15.455   47.388   1.1603   46.361   1.2412 1.027184 1.699067 
1 1 1   18   16   15 o   28.544   0.9413  109.688   7.2163  101.155   9.3295  122.397   11.386   27.384   1.2685   30.106   1.4080 -2.722612 1.895127 
1 1 1   18   16   16 o   14.456   1.5801   28.594   6.0351   31.995   7.5640   22.637   10.011   15.245   1.8877   12.577   3.0047 2.667864 3.548501 
1 1 1   18   16   17 o   26.878   0.9811   97.295   7.0825   96.787   9.0499   98.099   11.377   26.783   1.2580   26.882   1.5827 -0.9904099E-01 2.021739 
1 1 1   18   16   18 o   39.563   0.8145  210.631   8.6548  221.565   11.831  198.042   12.695   40.546   1.0863   38.313   1.2336 2.232441 1.643759 
1 1 1   18   16   19 o   9.9904   2.3125   14.158   6.0824   17.498   7.1221   5.1587   11.691   11.101   2.4538   8.4409   3.3855 2.660571 4.181287 
1 1 1   18   16   20 o   31.853   1.0074  136.696   8.6185  149.150   10.338  108.311   15.606   33.255   1.1574   28.132   2.0802 5.122719 2.380476 
1 1 1   18   16   21 o   78.069   0.9350  820.854   19.607  811.669   24.858  835.974   31.895   77.561   1.1933   78.604   1.5107 -1.042503 1.925140 
1 1 1   18   16   22 f   49.120   0.8335  324.790   10.996  304.284   14.190  355.615   17.397   47.500   1.1122   51.320   1.2621 -3.819550 1.682249 
1 1 1   18   16   23 o   27.623   0.9557  102.800   7.0904  103.788   9.5517  101.587   10.582   27.719   1.2829   27.365   1.4448 0.3539562 1.932200 
1 1 1   18   16   24 o   42.879   0.9566  247.746   11.017  249.563   18.356  246.723   13.773   42.908   1.5928   42.749   1.1996 0.1590080 1.993940 
1 1 1   18   16   25 o   34.361   0.9325  159.092   8.6059  155.511   12.288  162.539   12.056   33.910   1.3492   34.677   1.2944 -0.7673759 1.869695 
1 1 1   18   16   26 o   37.308   0.8461  187.469   8.4782  183.736   11.438  192.023   12.631   36.888   1.1544   37.694   1.2476 -0.8056602 1.699743 
1 1 1   18   16   27 o   28.172   0.9798  107.030   7.4141  121.733   9.8274   87.605   11.296   30.011   1.2192   25.336   1.6692 4.675491 2.067054 
1 1 1   18   16   28 o   20.451   1.2678   56.791   6.9293   70.961   9.3129   39.218   10.371   22.816   1.5285   16.721   2.3761 6.094395 2.825283 
1 1 1   18   16   29 o   55.201   0.8271  410.564   12.262  408.081   18.125  412.660   16.652   54.926   1.2286   55.266   1.1218 -0.3403053 1.663667 
1 1 1   18   16   30 o   60.547   0.8319  494.009   13.529  477.795   19.919  507.893   18.432   59.417   1.2482   61.306   1.1194 -1.889023 1.676587 
1 1 1   18   16   31 o   71.373   0.9273  687.130   17.776  674.799   24.432  701.001   25.912   70.586   1.2887   71.918   1.3414 -1.332054 1.860152 
1 1 1   18   16   32 o   12.024   2.0531   20.360   6.3926   7.8359   8.2067   39.685   10.194   8.0890   2.9319   16.812   2.3194 -8.722703 3.738374 
1 1 1   18   16   33 o   17.625   1.1506   42.185   5.4167   39.888   6.1955   49.634   11.160   17.098   1.3603   18.852   2.2483 -1.753452 2.627843 
1 1 1   18   16   34 o   32.686   1.1080  144.418   9.7278  139.043   13.429  150.353   14.111   31.969   1.5639   33.240   1.5806 -1.270302 2.223486 
1 1 1   18   16   35 o   33.339   1.1362  150.319   10.174  160.821   15.480  142.333   13.499   34.343   1.6781   32.344   1.5539 1.999470 2.287073 
1 1 1   18   16   36 o   9.0930   3.0189   11.267   8.6084   5.7310   12.162   16.826   12.186   8.5405   3.4433   10.919   3.5903 -2.378726 4.974605 
1 1 1   18   16   37 o   24.653   1.4835   82.988   9.7772   92.997   14.049   73.585   13.616   25.920   2.0342   22.966   2.2356 2.953924 3.022586 
1 1 1   18   16   38 o   21.415   1.3884   62.611   7.9428   69.276   12.073   57.524   10.547   22.327   2.0355   20.358   1.9528 1.969212 2.820763 
1 1 1   18   16   39 o   28.014   1.7870  108.224   13.375  107.324   18.971  109.114   18.860   27.502   2.5990   27.755   2.5588 -0.2523556 3.647271 
1 1 1   18   16   40 o   8.4051   3.3958   6.0547   11.856   24.207   18.680  -6.1924   15.343   12.667   4.4416   7.5743   3.4449 5.093202 5.620924 
1 1 1   18   16   41 o   24.215   2.1338   82.596   13.736   77.360   20.320   87.002   18.640   22.616   3.4549   24.393   2.9021 -1.777023 4.511996 
1 1 1   18   16   42 o   14.483   3.3084   32.369   12.588   28.424   19.244   35.319   16.642   13.184   4.5143   14.719   4.0720 -1.535494 6.079458 
1 1 1   18   16   43 o   18.109   3.8448   52.864   18.123   0.0000   0.0000   52.864   18.123  ?   ?    18.109   3.8448 0.000000 3.844826 
1 1 1   18   16   44 o   8.0601   3.6134  -1.3328   16.184   0.0000   0.0000  -1.3328   16.184  ?   ?    8.0601   3.6134 0.000000 3.613386 
1 1 1   18   16   45 o   8.1751   3.8574 -12.1100   22.104   0.0000   0.0000 -12.1100   22.104  ?   ?    8.1751   3.8574 0.000000 3.857373 
1 1 1   18   17  -42 o   11.566   4.2268   21.333   17.107   0.0000   0.0000   21.333   17.107  ?   ?    11.566   4.2268 0.000000 4.226776 
1 1 1   18   17  -41 o   9.9208   4.0347   10.970   16.861   0.0000   0.0000   10.970   16.861  ?   ?    9.9208   4.0347 0.000000 4.034746 
1 1 1   18   17  -40 o   19.072   3.3097   55.340   16.340 -23.4500   46.320   66.537   17.462   11.318   5.4097   21.029   3.1919 -9.710995 6.281110 
1 1 1   18   17  -39 o   27.449   1.8341  104.692   13.444  119.715   20.101   92.534   18.083   28.874   2.6205   25.309   2.7019 3.564508 3.763947 
1 1 1   18   17  -38 o   32.032   1.6413  141.126   14.074  157.446   20.394  126.287   19.446   33.477   2.2817   29.868   2.4454 3.608320 3.344576 
1 1 1   18   17  -37 f   25.192   1.9370   88.010   13.006   95.921   19.199   81.300   17.682   25.873   2.8077   23.792   2.8220 2.080868 3.980847 
1 1 1   18   17  -36 o   6.0784   2.6779  -1.7037   8.5042  -2.0939   11.859  -1.2906   12.202   7.1489   3.1552   7.3664   3.2275 -0.2175717 4.513545 
1 1 1   18   17  -35 o   35.092   1.2976  167.097   12.231  197.483   20.661  150.704   15.175   37.814   2.0418   33.160   1.7097 4.654003 2.663049 
1 1 1   18   17  -34 o   37.633   1.1430  191.643   11.553  184.472   14.706  203.202   18.672   36.826   1.4868   38.534   1.8040 -1.708611 2.337730 
1 1 1   18   17  -33 o   48.128   0.9885  312.786   12.778  334.968   18.668  293.231   17.528   49.669   1.3993   46.470   1.4043 3.199089 1.982470 
1 1 1   18   17  -32 o   16.496   1.7393   37.546   7.5901   36.269   10.732   38.824   10.736   15.957   2.5931   16.555   2.4917 -0.5986366 3.596145 
1 1 1   18   17  -31 o   38.272   0.9664  197.728   9.9345  209.258   13.887  185.642   14.218   39.286   1.3161   36.971   1.4318 2.315323 1.944753 
1 1 1   18   17  -30 o   27.204   1.2388  100.215   9.0514   99.535   11.527  101.307   14.618   26.992   1.5971   27.095   2.0232 -0.1025448 2.577629 
1 1 1   18   17  -29 o   31.105   1.2331  130.987   10.302  144.542   14.399  116.774   14.745   32.530   1.6535   29.151   1.8934 3.378172 2.513724 
1 1 1   18   17  -28 o   28.366   1.0958  108.733   8.3483  109.553   13.038  108.164   10.868   28.293   1.7240   28.192   1.4401 0.1007366 2.246336 
1 1 1   18   17  -27 o   5.5228   2.1385   2.7498   4.5207  -1.1356   5.2034   14.712   9.1300   4.7977   2.1047   10.164   3.0789 -5.365948 3.729517 
1 1 1   18   17  -26 o   48.499   0.8371  316.953   10.905  330.263   16.064  305.577   14.851   49.416   1.2103   47.546   1.1629 1.869926 1.678441 
1 1 1   18   17  -25 o   26.680   0.9954   96.032   7.1329   86.614   8.8964  112.983   11.935   25.262   1.3157   28.807   1.5483 -3.544594 2.031787 
1 1 1   18   17  -24 o   28.236   0.9827  107.524   7.4526   98.050   10.062  119.040   11.093   26.871   1.3989   29.648   1.3931 -2.776913 1.974239 
1 1 1   18   17  -23 o   11.348   2.0592   18.116   6.0452   24.874   7.8937   8.5297   9.4008   13.288   2.2947   8.5634   3.1327 4.724650 3.883225 
1 1 1   18   17  -22 o   45.539   0.8703  279.336   10.645  277.415   15.995  280.863   14.261   45.295   1.3147   45.609   1.1642 -0.3140717 1.756062 
1 1 1   18   17  -21 f   59.098   0.8190  470.233   13.000  469.585   18.465  470.870   18.306   58.980   1.1656   59.064   1.1539 -0.8367157E-01 1.640167 
1 1 1   18   17  -20 o   5.2449   2.2982  -1.3282   6.1886 -13.9021   8.7091   11.496   8.7954   4.6779   2.2635   9.2633   3.0504 -4.585402 3.798467 
1 1 1   18   17  -19 o   78.893   0.8507  838.008   18.026  827.731   25.066  849.016   25.941   78.311   1.1917   79.303   1.2179 -0.9916611 1.703939 
1 1 1   18   17  -18 o   6.8714   2.4487   5.5984   5.6974   5.2628   6.7793   6.4052   10.513   7.0739   2.6470   8.3684   3.2553 -1.294492 4.195649 
1 1 1   18   17  -17 o   25.995   0.9625   91.029   6.7200   87.680   8.7483   95.849   10.496   25.450   1.2840   26.579   1.4760 -1.129005 1.956349 
1 1 1   18   17  -16 o   11.110   1.9910   17.282   5.7228   18.873   6.8888   13.737   10.281   11.560   2.2996   10.086   3.2968 1.473655 4.019583 
1 1 1   18   17  -15 o   25.470   1.0730   87.441   7.3401   87.349   8.8189   87.646   13.242   25.402   1.2969   25.318   1.9627 0.8479309E-01 2.352420 
1 1 1   18   17  -14 o   28.839   0.9885  112.039   7.6568  113.803   9.5686  108.897   12.767   29.042   1.2267   28.300   1.6873 0.7411404 2.086050 
1 1 1   18   17  -13 o   50.505   0.8352  343.295   11.329  342.561   14.546  344.428   18.064   50.416   1.0742   50.505   1.3317 -0.8913422E-01 1.710910 
1 1 1   18   17  -12 o   11.522   1.9036   18.487   5.6856   25.555   7.3799   8.1647   8.9181   13.553   2.0949   8.4099   3.0551 5.142749 3.704359 
1 1 1   18   17  -11 o   45.296   0.8168  276.080   9.9372  270.100   13.172  283.979   15.139   44.767   1.0955   45.882   1.2284 -1.114822 1.645946 
1 1 1   18   17  -10 o   23.511   1.1118   74.501   7.0209   71.167   9.7160   78.144   10.157   22.882   1.5908   23.983   1.5857 -1.101191 2.246092 
1 1 1   18   17   -9 o   52.494   0.8479  370.830   11.955  343.678   18.508  390.268   15.660   50.454   1.3657   53.818   1.0834 -3.364017 1.743258 
1 1 1   18   17   -8 o   35.687   0.9315  171.450   8.9289  170.074   12.770  172.766   12.489   35.498   1.3394   35.783   1.2995 -0.2850380 1.866176 
1 1 1   18   17   -7 o   25.433   1.0347   87.124   7.0679   91.556   10.804   83.808   9.3448   25.978   1.5556   24.875   1.4044 1.103588 2.095780 
1 1 1   18   17   -6 o   70.303   0.8015  664.905   15.134  634.320   21.063  697.543   21.759   68.605   1.1431   71.946   1.1260 -3.341553 1.604531 
1 1 1   18   17   -5 o   44.416   0.8191  265.414   9.7713  257.953   14.714  271.301   13.069   43.735   1.2526   44.876   1.0843 -1.140839 1.656685 
1 1 1   18   17   -4 o   28.973   0.9647  113.008   7.5075  109.878   9.8663  117.314   11.571   28.541   1.2870   29.473   1.4617 -0.9312840 1.947535 
1 1 1   18   17   -3 f   27.027   0.9405   98.328   6.8277  100.546   9.5898   96.047   9.7233   27.301   1.3078   26.644   1.3633 0.6572456 1.889123 
1 1 1   18   17   -2 o   28.436   0.8876  108.816   6.7796  106.485   9.7336  111.012   9.4482   28.098   1.2898   28.695   1.2259 -0.5970116 1.779410 
1 1 1   18   17   -1 o   20.693   1.0899   57.840   6.0363   56.687   8.7070   58.907   8.3758   20.416   1.6007   20.829   1.5074 -0.4128761 2.198688 
1 1 1   18   17    0 o   25.709   0.9425   88.970   6.5083   84.755   9.5039   92.692   8.9311   25.017   1.4203   26.217   1.2683 -1.200325 1.904153 
1 1 1   18   17    1 o   42.933   0.7737  247.927   8.9217  255.565   12.866  240.853   12.382   43.555   1.0998   42.284   1.0902 1.271065 1.548616 
1 1 1   18   17    2 o   66.562   0.7866  595.954   14.063  590.140   19.932  601.716   19.844   66.182   1.1213   66.831   1.1055 -0.6490097 1.574638 
1 1 1   18   17    3 f   26.445   0.9401   94.132   6.6771  104.582   9.7594   84.937   9.1551   27.844   1.3050   25.051   1.3658 2.793079 1.889022 
1 1 1   18   17    4 o   35.567   0.8408  170.203   8.0321  165.136   11.195  175.580   11.531   35.001   1.1908   36.091   1.1895 -1.089981 1.683156 
1 1 1   18   17    5 o   52.517   0.8310  371.079   11.722  367.016   15.263  376.922   18.303   52.194   1.0887   52.861   1.2891 -0.6660881 1.687339 
1 1 1   18   17    6 o   9.2509   2.3729   12.108   5.9245   11.056   8.9139   12.941   7.9293   9.1957   3.0727   9.6361   2.8582 -0.4403868 4.196522 
1 1 1   18   17    7 o   17.583   1.3556   41.973   6.3526   36.991   9.6044   45.848   8.4700   16.337   2.2484   18.320   1.7423 -1.983046 2.844490 
1 1 1   18   17    8 o   39.891   0.7998  214.087   8.5690  212.564   12.072  215.633   12.166   39.713   1.1317   39.999   1.1324 -0.2855797 1.600969 
1 1 1   18   17    9 o   19.079   1.5630   49.546   7.9390   51.312   13.441   48.600   9.8386   19.177   2.6829   18.819   1.9760 0.3581619 3.332061 
1 1 1   18   17   10 o   6.2413   2.5212   2.3987   6.5338   21.763   11.445  -6.9642   7.9582   12.326   3.3633   5.1387   2.3887 7.187596 4.125234 
1 1 1   18   17   11 o   16.389   1.4753   36.592   6.4244   49.809   9.0206   22.988   9.1517   19.088   1.7800   12.705   2.7607 6.383081 3.284743 
1 1 1   18   17   12 o   38.752   0.8109  202.074   8.4398  212.943   11.730  190.407   12.152   39.747   1.0988   37.572   1.2042 2.175846 1.630162 
1 1 1   18   17   13 o   34.227   0.8888  157.712   8.1706  171.033   10.817  140.009   12.469   35.617   1.1307   32.185   1.4424 3.431442 1.832727 
1 1 1   18   17   14 o   26.342   1.0265   93.496   7.2628   96.891   9.0043   87.174   12.287   26.794   1.2512   25.283   1.8216 1.511604 2.209879 
1 1 1   18   17   15 o   37.452   0.9464  188.911   9.5204  172.678   11.112  233.709   18.460   35.782   1.1562   41.535   1.6547 -5.752964 2.018681 
1 1 1   18   17   16 o   17.691   1.4770   42.621   6.9541   40.338   7.9389   50.148   14.416   17.160   1.7469   18.853   2.9430 -1.693850 3.422425 
1 1 1   18   17   17 o   30.056   0.9552  121.686   7.7108  120.263   9.6939  124.138   12.723   29.852   1.2090   30.239   1.5720 -0.3865089 1.983133 
1 1 1   18   17   18 o   60.232   0.7992  488.288   12.930  486.943   17.835  489.779   18.773   60.089   1.1050   60.251   1.1601 -0.1618423 1.602145 
1 1 1   18   17   19 o   64.432   0.9052  559.144   15.666  572.076   20.787  542.141   23.835   65.104   1.1887   63.317   1.4015 1.787735 1.837758 
1 1 1   18   17   20 o   7.7322   2.4532   8.0922   5.7205   14.328   7.1036  -3.4126   9.6490   10.021   2.6125   6.3053   2.8109 3.715397 3.837504 
1 1 1   18   17   21 f   28.215   0.9712  107.298   7.3605  116.831   10.026   96.153   10.840   29.405   1.2694   26.598   1.5237 2.806828 1.983238 
1 1 1   18   17   22 o   37.424   0.9551  188.765   9.6008  192.489   13.602  185.068   13.553   37.725   1.3424   36.986   1.3643 0.7386093 1.913996 
1 1 1   18   17   23 o   32.000   1.0859  138.192   9.3335  155.789   15.885  128.915   11.534   33.800   1.7558   30.859   1.3916 2.941101 2.240444 
1 1 1   18   17   24 o   19.330   1.2382   50.718   6.3950   57.651   8.5305   41.822   9.6626   20.554   1.5567   17.358   2.1164 3.196184 2.627253 
1 1 1   18   17   25 o   33.034   0.8837  147.072   7.8409  133.985   10.405  164.266   11.927   31.477   1.2308   34.844   1.2744 -3.367136 1.771711 
1 1 1   18   17   26 o   56.030   0.8029  422.910   12.083  423.122   16.668  422.677   17.540   55.965   1.1089   55.918   1.1678 0.4745483E-01 1.610416 
1 1 1   18   17   27 o   38.322   0.8563  197.951   8.8144  213.604   12.008  179.665   12.979   39.755   1.1246   36.415   1.3270 3.340054 1.739419 
1 1 1   18   17   28 o   35.127   0.8742  166.368   8.2479  167.378   10.991  165.066   12.478   35.180   1.1632   34.898   1.3313 0.2817421 1.767879 
1 1 1   18   17   29 o   8.5039   2.5441   10.191   6.2625   9.9282   7.6868   10.710   10.800   8.5851   2.8529   9.3019   3.3646 -0.7168016 4.411293 
1 1 1   18   17   30 o   12.930   1.7450   23.215   5.9055   29.498   7.3289   11.583   9.9722   14.557   1.9215   9.3774   3.2476 5.179213 3.773478 
1 1 1   18   17   31 o   37.954   1.0771  194.698   10.980  181.915   21.045  199.478   12.870   36.276   2.1699   38.375   1.2486 -2.099541 2.503521 
1 1 1   18   17   32 o   28.008   1.4327  106.819   10.742  108.379   22.237  106.344   12.269   27.561   3.0554   27.885   1.6454 -0.3240108 3.470246 
1 1 1   18   17   33 o   18.019   1.8328   44.860   8.7468   43.879   11.410   46.258   13.622   17.619   2.4797   17.931   2.9296 -0.3126011 3.838125 
1 1 1   18   17   34 o   24.572   1.2792   82.073   8.4132   76.661   10.766   90.562   13.483   23.634   1.7075   25.607   1.9757 -1.973513 2.611318 
1 1 1   18   17   35 o   23.580   1.4205   75.863   8.9547   76.341   10.649   74.708   16.545   23.578   1.6929   22.922   2.7418 0.6557064 3.222296 
1 1 1   18   17   36 o   19.968   1.3413   54.420   7.1520   59.614   10.182   49.362   10.048   20.760   1.8453   18.821   2.0193 1.939262 2.735431 
1 1 1   18   17   37 f   21.165   1.8852   62.148   10.604   40.629   17.001   75.852   13.567   16.217   3.9416   23.271   2.1966 -7.054087 4.512334 
1 1 1   18   17   38 o   23.360   1.9446   75.987   12.090   68.989   18.124   81.598   16.229   21.603   3.2220   23.907   2.5676 -2.304131 4.119938 
1 1 1   18   17   39 o   22.075   2.0660   68.498   12.107   97.155   17.929   44.472   16.416   26.004   2.6019   16.910   3.7157 9.093477 4.536117 
1 1 1   18   17   40 o   10.853   3.5724   17.825   12.064   14.036   17.894   20.982   16.333   10.639   4.2141   11.723   4.1494 -1.084772 5.914068 
1 1 1   18   17   41 o   11.866   4.1230   22.347   16.079   0.0000   0.0000   22.347   16.079  ?   ?    11.866   4.1230 0.000000 4.123049 
1 1 1   18   17   42 o   11.769   4.1418   22.511   16.252   0.0000   0.0000   22.511   16.252  ?   ?    11.769   4.1418 0.000000 4.141842 
1 1 1   18   17   43 o   14.872   5.1108   43.110   24.673   0.0000   0.0000   43.110   24.673  ?   ?    14.872   5.1108 0.000000 5.110805 
1 1 1   18   18    0 o   56.931   1.1000  436.091   16.821  449.474   24.050  423.276   23.534   57.744   1.5507   56.034   1.5637 1.709846 2.202213 
1 1 1   18   18    1 o   16.764   1.3104   38.173   5.8534   38.061   8.4154   38.278   8.1470   16.633   1.9189   16.695   1.8478 -0.6214905E-01 2.663922 
1 1 1   18   18    2 o   31.338   0.8887  132.217   7.4804  137.418   10.374  126.585   10.796   31.915   1.2102   30.619   1.3128 1.296188 1.785496 
1 1 1   18   18    3 o   9.4245   2.3596   12.606   5.9594   8.4535   7.7698   18.539   9.2877   8.2375   2.8659   11.385   2.9965 -3.147038 4.146377 
1 1 1   18   18    4 o   28.141   0.9342  106.648   7.0615  101.017   9.8938  112.495   10.082   27.348   1.3469   28.865   1.3004 -1.517538 1.872216 
1 1 1   18   18    5 o   25.967   1.0091   90.846   7.0377   95.538   9.5125   85.172   10.460   26.563   1.3376   25.039   1.5632 1.524714 2.057380 
1 1 1   18   18    6 o   8.7173   2.7570   10.335   7.2298   7.8647   9.0015   14.826   12.136   8.3454   3.0636   10.597   3.5851 -2.251708 4.715768 
1 1 1   18   18    7 o   56.595   1.0551  431.697   16.039  441.470   24.846  424.715   21.000   57.092   1.6202   56.060   1.3947 1.032562 2.137846 
1 1 1   18   18    8 o   36.392   1.0692  178.528   10.451  177.937   13.718  179.346   16.133   36.282   1.4077   36.382   1.6510 -0.9925461E-01 2.169665 
1 1 1   18   18    9 o   42.847   1.0181  247.392   11.716  249.890   16.751  244.999   16.393   42.986   1.4508   42.567   1.4338 0.4193459 2.039808 
1 1 1   18   18   10 o   22.896   1.2856   71.011   7.8741   72.682   10.352   68.717   12.129   23.095   1.6804   22.376   2.0406 0.7196064 2.643425 
1 1 1   18   18   11 o   29.180   1.0092  114.744   7.9093  117.464   10.540  111.238   11.967   29.486   1.3308   28.620   1.5626 0.8660812 2.052528 
1 1 1   18   18   12 o   12.325   1.8260   21.067   5.8618   23.186   7.7716   18.269   8.9279   12.829   2.3418   11.289   2.9219 1.539968 3.744491 
1 1 1   18   18   13 o   8.0661   2.4261   9.0108   5.6837   4.2356   7.0300   18.023   9.6575   6.8698   2.6649   11.220   3.1012 -4.350355 4.088894 
1 1 1   18   18   14 o   14.134   1.6348   27.435   6.0914   30.292   7.7087   22.687   9.9393   14.786   1.9917   12.555   2.9902 2.231059 3.592776 
1 1 1   18   18   15 o   21.483   1.1550   62.464   6.6399   70.195   8.5043   50.392   10.627   22.739   1.3993   19.106   2.1059 3.632816 2.528351 
1 1 1   18   18   16 f   39.818   0.8444  213.496   9.0309  215.071   11.719  211.194   14.170   39.929   1.0928   39.523   1.3348 0.4051666 1.725087 
1 1 1   18   18   17 o   30.059   0.9981  121.814   8.0586  123.184   10.000  119.277   13.609   30.197   1.2330   29.584   1.7201 0.6129723 2.116369 
1 1 1   18   18   18 o   21.374   1.1369   61.840   6.5032   65.635   8.5022   56.490   10.096   21.968   1.4491   20.284   1.8742 1.683994 2.369048 
1 1 1   18   18   19 o   23.384   1.0964   73.803   6.8865   75.904   9.0403   70.897   10.630   23.631   1.4310   22.767   1.7517 0.8643780 2.261963 
1 1 1   18   18   20 o   49.302   0.8718  327.509   11.545  331.620   15.540  322.447   17.246   49.547   1.1678   48.818   1.3153 0.7284698 1.758879 
1 1 1   18   18   21 o   39.791   0.9124  213.433   9.7510  214.363   14.318  212.629   13.316   39.792   1.3397   39.651   1.2504 0.1407280 1.832519 
1 1 1   18   18   22 o   39.893   0.9173  214.580   9.8290  218.885   14.432  210.855   13.424   40.202   1.3365   39.475   1.2661 0.7274208 1.840978 
1 1 1   18   18   23 o   45.082   0.8549  273.926   10.352  268.170   14.657  279.654   14.622   44.521   1.2257   45.472   1.1972 -0.9510231 1.713376 
1 1 1   18   18   24 o   27.518   0.9841  102.203   7.2734  109.016   9.6353   93.177   11.090   28.375   1.2643   26.125   1.5880 2.249973 2.029784 
1 1 1   18   18   25 o   17.388   1.3839   41.268   6.4095   56.006   8.4262   21.031   9.8738   20.232   1.5627   11.993   3.0563 8.238376 3.432647 
1 1 1   18   18   26 o   40.559   0.8908  221.882   9.7046  231.434   14.053  213.173   13.418   41.331   1.2659   39.669   1.2594 1.662251 1.785610 
1 1 1   18   18   27 o   28.551   0.9973  110.086   7.6482   98.750   9.6286  129.466   12.590   26.983   1.3286   30.849   1.5194 -3.866047 2.018343 
1 1 1   18   18   28 o   11.824   1.8620   19.582   5.7178   22.032   6.5670   11.905   11.626   12.515   2.0226   9.6926   3.4932 2.822311 4.036505 
1 1 1   18   18   29 o   26.786   1.2334   97.208   8.8735   93.084   14.517   99.667   11.212   25.919   2.1035   27.012   1.5519 -1.093349 2.614028 
1 1 1   18   18   30 o   14.508   2.0435   29.475   7.7425   18.796   11.077   39.677   10.827   11.345   3.3811   16.729   2.4850 -5.384334 4.196074 
1 1 1   18   18   31 o   18.752   1.9923   48.830   9.8807   55.137   12.471   38.196   16.194   19.802   2.3934   15.898   3.8362 3.903119 4.521658 
1 1 1   18   18   32 o   32.386   1.1498  141.991   10.002  152.079   14.191  132.035   14.099   33.398   1.5820   31.040   1.6975 2.357538 2.320365 
1 1 1   18   18   33 o   33.890   1.0588  155.344   9.6374  152.455   14.199  157.812   13.123   33.427   1.5815   34.057   1.4346 -0.6296501 2.135242 
1 1 1   18   18   34 o   8.9123   2.6603   11.369   6.8534   15.220   9.4067   7.0112   10.005   10.243   3.1301   8.2338   3.1834 2.009588 4.464447 
1 1 1   18   18   35 o   35.645   1.2257  172.529   11.734  187.852   16.966  158.475   16.247   37.004   1.7070   33.909   1.7903 3.095554 2.473650 
1 1 1   18   18   36 o   14.581   3.0703   31.694   11.645   45.986   17.659   20.698   15.489   17.186   3.9134   11.817   4.0500 5.368259 5.631782 
1 1 1   18   18   37 o   13.819   3.2157   29.016   11.712   17.234   18.117   37.474   15.350   11.288   4.3038   15.477   3.7353 -4.189574 5.698680 
1 1 1   18   18   38 o   11.038   3.9041   18.104   14.457   46.380   44.866   14.828   15.271   15.726   6.5084   10.467   3.9609 5.258501 7.618868 
1 1 1   18   18   39 o   18.884   3.6501   56.299   17.844   0.0000   0.0000   56.299   17.844  ?   ?    18.884   3.6501 0.000000 3.650103 
1 1 1   18   18   40 o   7.3599   3.3960  -6.9706   15.648   0.0000   0.0000  -6.9706   15.648  ?   ?    7.3599   3.3960 0.000000 3.396011 
1 1 1   18   18   41 o   12.773   4.9257   29.110   23.908   0.0000   0.0000   29.110   23.908  ?   ?    12.773   4.9257 0.000000 4.925677 
1 1 1   19    0  -54 o   21.278   5.6243   80.429   27.770   80.429   27.770   80.429   27.770   21.278   5.6243   21.278   5.6243 -0.000000 0.000000 
1 1 1   19    0  -53 o   6.5669   4.4927 -10.8107   25.049 -10.8107   25.049 -10.8107   25.049   6.5669   4.4927   6.5669   4.4927 -0.000000 0.000000 
1 1 1   19    0  -52 o   4.9547   3.3339  -4.3640   12.680  -4.3640   12.680  -4.3640   12.680   4.9547   3.3339   4.9547   3.3339 -0.000000 0.000000 
1 1 1   19    0  -51 o   26.749   1.5466   97.822   11.026   97.822   11.026   97.822   11.026   26.749   1.5466   26.749   1.5466 -0.000000 0.000000 
1 1 1   19    0  -50 o   9.7859   4.4061   19.489   12.405   19.489   12.405   19.489   12.405   9.7859   4.4061   9.7859   4.4061 -0.000000 0.000000 
1 1 1   19    0  -49 o   17.204   3.4909   45.383   14.280   45.383   14.280   45.383   14.280   17.204   3.4909   17.204   3.4909 0.000000 0.000000 
1 1 1   19    0  -48 o   47.945   1.5806  311.785   20.304  311.785   20.304  311.785   20.304   47.945   1.5806   47.945   1.5806 -0.000000 0.000000 
1 1 1   19    0  -47 o   41.509   1.6254  234.029   18.058  234.029   18.058  234.029   18.058   41.509   1.6254   41.509   1.6254 -0.000000 0.000000 
1 1 1   19    0  -46 o   4.1454   2.9528 -19.8964   14.423 -19.8964   14.423 -19.8964   14.423   4.1454   2.9528   4.1454   2.9528 -0.000000 0.000000 
1 1 1   19    0  -45 o   18.327   2.7830   48.804   12.763   48.804   12.763   48.804   12.763   18.327   2.7830   18.327   2.7830 -0.000000 0.000000 
1 1 1   19    0  -44 o   66.966   1.5241  606.007   27.382  606.007   27.382  606.007   27.382   66.966   1.5241   66.966   1.5241 0.000000 0.000000 
1 1 1   19    0  -43 o   19.775   3.7186   58.819   17.710   58.819   17.710   58.819   17.710   19.775   3.7186   19.775   3.7186 -0.000000 0.000000 
1 1 1   19    0  -42 o   28.072   1.9430  107.983   14.489  107.983   14.489  107.983   14.489   28.072   1.9430   28.072   1.9430 0.000000 0.000000 
1 1 1   19    0  -41 o   5.6877   3.5377   3.0328   10.900   3.0328   10.900   3.0328   10.900   5.6877   3.5377   5.6877   3.5377 0.000000 0.000000 
1 1 1   19    0  -40 o   32.475   2.4723  145.233   21.277  145.233   21.277  145.233   21.277   32.475   2.4723   32.475   2.4723 0.000000 0.000000 
1 1 1   19    0  -39 o   45.006   1.4674  273.630   17.696  273.630   17.696  273.630   17.696   45.006   1.4674   45.006   1.4674 0.000000 0.000000 
1 1 1   19    0  -38 o   21.940   2.1468   66.819   12.373   66.819   12.373   66.819   12.373   21.940   2.1468   21.940   2.1468 0.000000 0.000000 
1 1 1   19    0  -37 o   25.403   1.9333   88.499   13.016   88.499   13.016   88.499   13.016   25.403   1.9333   25.403   1.9333 0.000000 0.000000 
1 1 1   19    0  -36 o   22.209   3.0485   70.419   17.211   70.419   17.211   70.419   17.211   22.209   3.0485   22.209   3.0485 0.000000 0.000000 
1 1 1   19    0  -35 o   51.054   1.4119  351.429   19.327  351.429   19.327  351.429   19.327   51.054   1.4119   51.054   1.4119 -0.000000 0.000000 
1 1 1   19    0  -34 o   28.758   1.7314  112.512   13.262  112.512   13.262  112.512   13.262   28.758   1.7314   28.758   1.7314 0.000000 0.000000 
1 1 1   19    0  -33 o   28.144   1.6823  107.703   12.613  107.703   12.613  107.703   12.613   28.144   1.6823   28.144   1.6823 -0.000000 0.000000 
1 1 1   19    0  -32 o   6.9901   3.7552   9.4243   9.7224   9.4243   9.7224   9.4243   9.7224   6.9901   3.7552   6.9901   3.7552 0.000000 0.000000 
1 1 1   19    0  -31 o   80.428   1.4814  870.555   31.977  870.555   31.977  870.555   31.977   80.428   1.4814   80.428   1.4814 0.000000 0.000000 
1 1 1   19    0  -30 o   66.549   1.3735  596.046   24.526  596.046   24.526  596.046   24.526   66.549   1.3735   66.549   1.3735 0.000000 0.000000 
1 1 1   19    0  -29 o   81.488   1.4862  893.477   32.504  893.477   32.504  893.477   32.504   81.488   1.4862   81.488   1.4862 0.000000 0.000000 
1 1 1   19    0  -28 o   25.919   1.9200   91.821   13.197   91.821   13.197   91.821   13.197   25.919   1.9200   25.919   1.9200 0.000000 0.000000 
1 1 1   19    0  -27 o   77.852   2.0774  816.937   43.368  816.937   43.368  816.937   43.368   77.852   2.0774   77.852   2.0774 0.000000 0.000000 
1 1 1   19    0  -26 o   43.836   1.3675  258.975   16.065  258.975   16.065  258.975   16.065   43.836   1.3675   43.836   1.3675 0.000000 0.000000 
1 1 1   19    0  -25 o   24.821   1.6957   83.960   11.184   83.960   11.184   83.960   11.184   24.821   1.6957   24.821   1.6957 0.000000 0.000000 
1 1 1   19    0  -24 o   89.963   1.5393  1088.52   37.170  1088.52   37.170  1088.52   37.170   89.963   1.5393   89.963   1.5393 0.000000 0.000000 
1 1 1   19    0  -23 o  101.265   1.6467  1379.11   44.762  1379.11   44.762  1379.11   44.762  101.265   1.6467  101.265   1.6467 -0.000000 0.000000 
1 1 1   19    0  -22 o   74.539   1.9986  748.374   39.947  748.374   39.947  748.374   39.947   74.539   1.9986   74.539   1.9986 0.000000 0.000000 
1 1 1   19    0  -21 o   46.162   1.8428  287.722   22.766  287.722   22.766  287.722   22.766   46.162   1.8428   46.162   1.8428 -0.000000 0.000000 
1 1 1   19    0  -20 o  173.248   2.4607  4037.29  114.450  4037.29  114.450  4037.29  114.450  173.248   2.4607  173.248   2.4607 0.000000 0.000000 
1 1 1   19    0  -19 o   67.147   1.5973  606.748   28.771  606.748   28.771  606.748   28.771   67.147   1.5973   67.147   1.5973 -0.000000 0.000000 
1 1 1   19    0  -18 o   79.600   1.4430  851.989   30.828  851.989   30.828  851.989   30.828   79.600   1.4430   79.600   1.4430 0.000000 0.000000 
1 1 1   19    0  -17 o   18.878   2.2268   49.851   10.878   49.851   10.878   49.851   10.878   18.878   2.2268   18.878   2.2268 0.000000 0.000000 
1 1 1   19    0  -16 f  126.715   1.9048  2158.69   64.796  2158.69   64.796  2158.69   64.796  126.715   1.9048  126.715   1.9048 0.000000 0.000000 
1 1 1   19    0  -15 o  311.956   4.2209 13100.60  353.514 13100.60  353.514 13100.60  353.514  311.956   4.2209  311.956   4.2209 0.000000 0.000000 
1 1 1   19    0  -14 o   75.331   1.4115  763.050   28.537  763.050   28.537  763.050   28.537   75.331   1.4115   75.331   1.4115 0.000000 0.000000 
1 1 1   19    0  -13 o   53.020   1.5013  378.510   21.342  378.510   21.342  378.510   21.342   53.020   1.5013   53.020   1.5013 -0.000000 0.000000 
1 1 1   19    0  -12 o  125.005   1.8776  2100.58   63.009  2100.58   63.009  2100.58   63.009  125.005   1.8776  125.005   1.8776 -0.000000 0.000000 
1 1 1   19    0  -11 o   74.926   1.2053  754.591   24.243  754.591   24.243  754.591   24.243   74.926   1.2053   74.926   1.2053 0.000000 0.000000 
1 1 1   19    0  -10 o  174.898   2.0064  4110.90   94.226  4110.90   94.226  4110.90   94.226  174.898   2.0064  174.898   2.0064 0.000000 0.000000 
1 1 1   19    0   -9 o  168.048   2.1195  3795.63   95.634  3795.63   95.634  3795.63   95.634  168.048   2.1195  168.048   2.1195 0.000000 0.000000 
1 1 1   19    0   -8 o  216.585   2.9793  6307.31  173.240  6307.31  173.240  6307.31  173.240  216.585   2.9793  216.585   2.9793 -0.000000 0.000000 
1 1 1   19    0   -7 o  310.159   4.1855 12942.00  348.539 12942.00  348.539 12942.00  348.539  310.159   4.1855  310.159   4.1855 -0.000000 0.000000 
1 1 1   19    0   -6 o  198.618   2.4664  5302.52  131.532  5302.52  131.532  5302.52  131.532  198.618   2.4664  198.618   2.4664 -0.000000 0.000000 
1 1 1   19    0   -5 o   64.967   1.2906  567.558   22.501  567.558   22.501  567.558   22.501   64.967   1.2906   64.967   1.2906 -0.000000 0.000000 
1 1 1   19    0   -4 o   94.320   1.2398  1195.48   31.396  1195.48   31.396  1195.48   31.396   94.320   1.2398   94.320   1.2398 -0.000000 0.000000 
1 1 1   19    0   -3 o   55.452   1.0706  413.440   15.931  413.440   15.931  413.440   15.931   55.452   1.0706   55.452   1.0706 -0.000000 0.000000 
1 1 1   19    0   -2 o  119.058   1.4596  1904.72   46.660  1904.72   46.660  1904.72   46.660  119.058   1.4596  119.058   1.4596 -0.000000 0.000000 
1 1 1   19    0   -1 o  269.350   2.9852  9752.25  215.906  9752.25  215.906  9752.25  215.906  269.350   2.9852  269.350   2.9852 -0.000000 0.000000 
1 1 1   19    0    0 o   46.304   1.0543  288.408   13.096  288.408   13.096  288.408   13.096   46.304   1.0543   46.304   1.0543 -0.000000 0.000000 
1 1 1   19    0    1 o  104.691   1.6307  1473.22   45.829  1473.22   45.829  1473.22   45.829  104.691   1.6307  104.691   1.6307 0.000000 0.000000 
1 1 1   19    0    2 o  213.652   2.4042  6134.85  137.924  6134.85  137.924  6134.85  137.924  213.652   2.4042  213.652   2.4042 -0.000000 0.000000 
1 1 1   19    0    3 o  321.031   3.5327 13856.94  304.526 13856.94  304.526 13856.94  304.526  321.031   3.5327  321.031   3.5327 -0.000000 0.000000 
1 1 1   19    0    4 o   96.438   1.3887  1249.93   35.955  1249.93   35.955  1249.93   35.955   96.438   1.3887   96.438   1.3887 0.000000 0.000000 
1 1 1   19    0    5 o  183.159   2.2933  4508.95  112.779  4508.95  112.779  4508.95  112.779  183.159   2.2933  183.159   2.2933 -0.000000 0.000000 
1 1 1   19    0    6 o  161.339   2.2985  3499.16   99.559  3499.16   99.559  3499.16   99.559  161.339   2.2985  161.339   2.2985 -0.000000 0.000000 
1 1 1   19    0    7 o  102.109   1.6027  1401.48   43.932  1401.48   43.932  1401.48   43.932  102.109   1.6027  102.109   1.6027 0.000000 0.000000 
1 1 1   19    0    8 o   99.212   1.5683  1323.10   41.767  1323.10   41.767  1323.10   41.767   99.212   1.5683   99.212   1.5683 -0.000000 0.000000 
1 1 1   19    0    9 o   13.962   2.0048   27.760   7.0686   27.760   7.0686   27.760   7.0686   13.962   2.0048   13.962   2.0048 -0.000000 0.000000 
1 1 1   19    0   10 o   40.054   1.2189  216.078   13.086  216.078   13.086  216.078   13.086   40.054   1.2189   40.054   1.2189 -0.000000 0.000000 
1 1 1   19    0   11 o   91.204   1.3443  1117.98   32.914  1117.98   32.914  1117.98   32.914   91.204   1.3443   91.204   1.3443 0.000000 0.000000 
1 1 1   19    0   12 o  132.557   1.9474  2362.04   69.300  2362.04   69.300  2362.04   69.300  132.557   1.9474  132.557   1.9474 -0.000000 0.000000 
1 1 1   19    0   13 o   11.470   2.7289   20.404   7.2967   20.404   7.2967   20.404   7.2967   11.470   2.7289   11.470   2.7289 0.000000 0.000000 
1 1 1   19    0   14 o   68.761   1.3574  635.823   25.048  635.823   25.048  635.823   25.048   68.761   1.3574   68.761   1.3574 0.000000 0.000000 
1 1 1   19    0   15 o   80.318   1.2585  867.114   27.135  867.114   27.135  867.114   27.135   80.318   1.2585   80.318   1.2585 0.000000 0.000000 
1 1 1   19    0   16 f   59.763   1.0584  480.161   16.978  480.161   16.978  480.161   16.978   59.763   1.0584   59.763   1.0584 0.000000 0.000000 
1 1 1   19    0   17 o   25.414   1.5055   87.674   10.194   87.674   10.194   87.674   10.194   25.414   1.5055   25.414   1.5055 0.000000 0.000000 
1 1 1   19    0   18 o   16.810   1.7241   39.147   7.5965   39.147   7.5965   39.147   7.5965   16.810   1.7241   16.810   1.7241 -0.000000 0.000000 
1 1 1   19    0   19 o  147.843   1.7483  2937.93   69.403  2937.93   69.403  2937.93   69.403  147.843   1.7483  147.843   1.7483 0.000000 0.000000 
1 1 1   19    0   20 o   25.165   1.2826   85.727   8.6178   85.727   8.6178   85.727   8.6178   25.165   1.2826   25.165   1.2826 -0.000000 0.000000 
1 1 1   19    0   21 o   87.454   1.2112  1027.99   28.438  1027.99   28.438  1027.99   28.438   87.454   1.2112   87.454   1.2112 0.000000 0.000000 
1 1 1   19    0   22 o   85.874   1.2004  991.218   27.675  991.218   27.675  991.218   27.675   85.874   1.2004   85.874   1.2004 0.000000 0.000000 
1 1 1   19    0   23 o  117.910   1.4693  1868.89   46.516  1868.89   46.516  1868.89   46.516  117.910   1.4693  117.910   1.4693 -0.000000 0.000000 
1 1 1   19    0   24 o  163.792   2.3409  3610.23  102.935  3610.23  102.935  3610.23  102.935  163.792   2.3409  163.792   2.3409 -0.000000 0.000000 
1 1 1   19    0   25 o   4.4498   2.8362   0.5951   7.4907   0.5951   7.4907   0.5951   7.4907   4.4498   2.8362   4.4498   2.8362 0.000000 0.000000 
1 1 1   19    0   26 o   68.400   1.2064  629.185   22.147  629.185   22.147  629.185   22.147   68.400   1.2064   68.400   1.2064 0.000000 0.000000 
1 1 1   19    0   27 o   21.617   1.5448   63.766   8.8643   63.766   8.8643   63.766   8.8643   21.617   1.5448   21.617   1.5448 0.000000 0.000000 
1 1 1   19    0   28 o  104.876   1.6597  1479.81   46.726  1479.81   46.726  1479.81   46.726  104.876   1.6597  104.876   1.6597 0.000000 0.000000 
1 1 1   19    0   29 o   21.308   1.4163   61.832   8.0235   61.832   8.0235   61.832   8.0235   21.308   1.4163   21.308   1.4163 0.000000 0.000000 
1 1 1   19    0   30 o  109.336   1.4091  1607.68   41.365  1607.68   41.365  1607.68   41.365  109.336   1.4091  109.336   1.4091 0.000000 0.000000 
1 1 1   19    0   31 o  144.016   1.7249  2790.76   66.701  2790.76   66.701  2790.76   66.701  144.016   1.7249  144.016   1.7249 0.000000 0.000000 
1 1 1   19    0   32 o   69.542   1.1239  650.443   20.980  650.443   20.980  650.443   20.980   69.542   1.1239   69.542   1.1239 0.000000 0.000000 
1 1 1   19    0   33 o   22.919   1.4076   71.428   8.5900   71.428   8.5900   71.428   8.5900   22.919   1.4076   22.919   1.4076 -0.000000 0.000000 
1 1 1   19    0   34 o   3.4738   2.3721  -4.2685   6.9105  -4.2685   6.9105  -4.2685   6.9105   3.4738   2.3721   3.4738   2.3721 0.000000 0.000000 
1 1 1   19    0   35 o   34.318   1.2970  159.060   11.917  159.060   11.917  159.060   11.917   34.318   1.2970   34.318   1.2970 0.000000 0.000000 
1 1 1   19    0   36 o   23.409   1.4414   74.568   8.9836   74.568   8.9836   74.568   8.9836   23.409   1.4414   23.409   1.4414 0.000000 0.000000 
1 1 1   19    0   37 o   21.953   1.5330   65.825   8.9382   65.825   8.9382   65.825   8.9382   21.953   1.5330   21.953   1.5330 0.000000 0.000000 
1 1 1   19    0   38 o   98.484   1.3440  1306.05   35.536  1306.05   35.536  1306.05   35.536   98.484   1.3440   98.484   1.3440 0.000000 0.000000 
1 1 1   19    0   39 o   20.594   1.9991   58.826   10.818   58.826   10.818   58.826   10.818   20.594   1.9991   20.594   1.9991 0.000000 0.000000 
1 1 1   19    0   40 o   38.723   1.2586  202.447   13.059  202.447   13.059  202.447   13.059   38.723   1.2586   38.723   1.2586 0.000000 0.000000 
1 1 1   19    0   41 o   78.310   1.2243  826.000   25.738  826.000   25.738  826.000   25.738   78.310   1.2243   78.310   1.2243 0.000000 0.000000 
1 1 1   19    0   42 o   21.612   1.6844   64.142   9.6410   64.142   9.6410   64.142   9.6410   21.612   1.6844   21.612   1.6844 0.000000 0.000000 
1 1 1   19    0   43 o   18.626   2.2783   49.049   10.942   49.049   10.942   49.049   10.942   18.626   2.2783   18.626   2.2783 0.000000 0.000000 
1 1 1   19    0   44 o   16.606   2.7257   40.372   11.173   40.372   11.173   40.372   11.173   16.606   2.7257   16.606   2.7257 0.000000 0.000000 
1 1 1   19    0   45 o   26.961   1.6328   99.268   11.725   99.268   11.725   99.268   11.725   26.961   1.6328   26.961   1.6328 0.000000 0.000000 
1 1 1   19    0   46 o   37.047   1.4190  186.031   14.073  186.031   14.073  186.031   14.073   37.047   1.4190   37.047   1.4190 0.000000 0.000000 
1 1 1   19    0   47 o   33.299   1.4059  150.461   12.523  150.461   12.523  150.461   12.523   33.299   1.4059   33.299   1.4059 0.000000 0.000000 
1 1 1   19    0   48 o   19.798   1.9404   54.651   10.091   54.651   10.091   54.651   10.091   19.798   1.9404   19.798   1.9404 0.000000 0.000000 
1 1 1   19    0   49 o   36.777   1.3277  183.249   13.077  183.249   13.077  183.249   13.077   36.777   1.3277   36.777   1.3277 0.000000 0.000000 
1 1 1   19    0   50 o   24.234   1.7720   80.863   11.393   80.863   11.393   80.863   11.393   24.234   1.7720   24.234   1.7720 -0.000000 0.000000 
1 1 1   19    0   51 o   29.093   1.5720  115.608   12.202  115.608   12.202  115.608   12.202   29.093   1.5720   29.093   1.5720 0.000000 0.000000 
1 1 1   19    0   52 o   9.2893   4.2861   17.914   11.767   17.914   11.767   17.914   11.767   9.2893   4.2861   9.2893   4.2861 0.000000 0.000000 
1 1 1   19    0   53 o   8.5872   4.2456   15.793   11.766   15.793   11.766   15.793   11.766   8.5872   4.2456   8.5872   4.2456 -0.000000 0.000000 
1 1 1   19    0   54 o   7.5436   4.3832   11.457   14.586   11.457   14.586   11.457   14.586   7.5436   4.3832   7.5436   4.3832 0.000000 0.000000 
1 1 1   19    0   55 o   26.847   2.2092  101.900   15.683  101.900   15.683  101.900   15.683   26.847   2.2092   26.847   2.2092 0.000000 0.000000 
1 1 1   19    0   56 o   3.6304   2.6016 -17.1090   11.876 -17.1090   11.876 -17.1090   11.876   3.6304   2.6016   3.6304   2.6016 0.000000 0.000000 
1 1 1   19    0   57 o   3.9007   2.7605 -12.6393   11.898 -12.6393   11.898 -12.6393   11.898   3.9007   2.7605   3.9007   2.7605 0.000000 0.000000 
1 1 1   19    1  -54 o   8.3628   3.8177  -8.3586   19.066  -4.5580   23.522 -15.6400   32.557   9.6826   4.3474   10.446   4.8475 -0.7632809 6.511334 
1 1 1   19    1  -53 o   14.955   4.2876   34.270   18.113   50.397   26.228   19.565   25.044   17.728   5.1818   12.803   5.0122 4.925241 7.209266 
1 1 1   19    1  -52 f   12.672   3.0136   23.380   10.107   29.739   13.134   14.144   15.828   14.195   3.4732   10.852   4.0477 3.343623 5.333541 
1 1 1   19    1  -51 o   29.696   1.5285  119.925   12.150  105.295   20.155  128.277   15.228   27.424   2.7745   30.625   1.8601 -3.200596 3.340292 
1 1 1   19    1  -50 o   8.2491   2.9931   7.9756   8.5559   16.248   11.962  -0.6898   12.243   10.876   3.5562   7.5778   3.2773 3.298046 4.836071 
1 1 1   19    1  -49 o   15.788   2.1687   34.643   8.9538   39.822   12.675   29.484   12.650   16.741   2.9253   14.259   3.3584 2.482342 4.453794 
1 1 1   19    1  -48 f   27.190   2.0020  101.191   14.518  119.745   21.722   86.213   19.517   29.344   2.7897   24.791   2.9915 4.552441 4.090415 
1 1 1   19    1  -47 o   22.616   1.6505   69.692   9.9564   56.566   13.688   84.440   14.509   20.138   2.5908   24.775   2.2033 -4.637844 3.400995 
1 1 1   19    1  -46 o   56.129   1.1178  424.873   16.851  399.618   24.262  448.413   23.423   54.298   1.6636   57.562   1.5150 -3.264843 2.250084 
1 1 1   19    1  -45 o   38.896   1.5215  204.686   15.895  213.263   21.704  194.763   23.344   39.533   2.0511   37.692   2.3171 1.841446 3.094484 
1 1 1   19    1  -44 o   8.9680   3.0044   10.509   8.5221   10.263   12.243   10.740   11.870   9.6022   3.5642   9.6325   3.5207 -0.3034782E-01 5.009890 
1 1 1   19    1  -43 o   21.417   1.6305   62.399   9.3089   57.775   13.055   67.180   13.277   20.442   2.4251   22.100   2.2690 -1.658327 3.321047 
1 1 1   19    1  -42 o   25.202   1.5844   86.164   10.670   79.590   13.454   97.307   17.518   24.124   2.0973   26.604   2.4801 -2.480001 3.248020 
1 1 1   19    1  -41 o   8.3060   2.9209   8.3710   8.0816  -0.1362   11.278   17.349   11.586   7.4234   3.1771   11.216   3.4816 -3.792435 4.713359 
1 1 1   19    1  -40 o   81.093   1.0974  885.444   23.903  920.525   34.308  852.352   33.321   82.578   1.5468   79.458   1.5613 3.120483 2.197808 
1 1 1   19    1  -39 o   42.246   1.5465  240.854   17.548  234.566   24.599  247.367   25.039   41.528   2.2134   42.654   2.1929 -1.126091 3.115787 
1 1 1   19    1  -38 o   67.091   1.0342  605.742   18.636  587.282   26.084  624.988   26.634   65.991   1.4717   68.079   1.4566 -2.088394 2.070606 
1 1 1   19    1  -37 o   26.239   1.3023   92.748   9.1785   90.549   12.999   94.934   12.962   25.815   1.8878   26.444   1.8363 -0.6290245 2.633607 
1 1 1   19    1  -36 o   57.752   1.0088  448.673   15.648  446.687   22.228  450.625   22.031   57.573   1.4374   57.829   1.4184 -0.2558365 2.019429 
1 1 1   19    1  -35 o   28.571   1.6994  110.492   12.983  107.161   17.924  114.169   18.829   28.025   2.4046   28.925   2.4466 -0.9005165 3.430399 
1 1 1   19    1  -34 o   64.461   0.9983  558.789   17.285  578.058   24.814  540.628   24.090   65.519   1.4101   63.362   1.4156 2.157417 1.998010 
1 1 1   19    1  -33 o   46.610   0.9969  292.100   12.480  280.701   17.651  303.496   17.648   45.661   1.4392   47.484   1.3838 -1.822269 1.996545 
1 1 1   19    1  -32 o   8.3381   2.7472   8.9842   7.1335   2.0376   10.027   16.103   10.151   7.4402   3.0778   10.830   3.2388 -3.389608 4.467962 
1 1 1   19    1  -31 o  106.150   1.2131  1515.39   34.585  1516.43   48.942  1514.35   48.880  106.110   1.7172  106.038   1.7162 0.7259369E-01 2.427842 
1 1 1   19    1  -30 o   36.868   1.0265  182.714   10.165  177.417   14.303  188.119   14.449   36.312   1.4665   37.393   1.4386 -1.080498 2.054324 
1 1 1   19    1  -29 o  115.335   1.2729  1788.81   39.432  1766.37   55.376  1811.89   56.164  114.534   1.8001  115.999   1.8026 -1.466087 2.547518 
1 1 1   19    1  -28 o   41.378   0.9813  230.103   10.906  229.809   15.237  230.412   15.617   41.337   1.3724   41.390   1.4048 -0.5276108E-01 1.963913 
1 1 1   19    1  -27 o  111.210   1.5716  1663.87   46.943  1637.09   60.043  1705.97   75.288  110.246   2.0277  112.457   2.4926 -2.210495 3.213183 
1 1 1   19    1  -26 o   83.480   1.4982  937.313   33.593  990.996   48.608  888.231   46.478   85.774   2.1099   81.203   2.1310 4.571465 2.998789 
1 1 1   19    1  -25 o   31.776   1.0594  135.693   9.0415  140.387   12.842  131.079   12.732   32.310   1.4798   31.220   1.5184 1.090557 2.120190 
1 1 1   19    1  -24 o   35.087   1.0202  165.428   9.6146  173.110   13.594  157.738   13.600   35.883   1.4105   34.251   1.4784 1.632050 2.043300 
1 1 1   19    1  -23 o   11.588   2.3275   18.729   6.9927   24.407   9.9875   13.269   9.7938   13.198   2.8970   10.036   3.2125 3.161103 4.325840 
1 1 1   19    1  -22 o   63.501   0.9507  541.762   16.215  552.990   23.161  530.969   22.708   64.142   1.3444   62.852   1.3452 1.290096 1.901805 
1 1 1   19    1  -21 o   70.128   1.3775  660.991   25.947  604.686   35.654  724.386   37.832   67.047   1.9799   73.387   1.9193 -6.340294 2.757502 
1 1 1   19    1  -20 o  146.416   2.1348  2883.92   83.953  2954.29  120.472  2817.48  117.057  148.063   3.0293  144.596   3.0140 3.466309 4.273315 
1 1 1   19    1  -19 o   72.229   0.9769  700.849   18.952  695.946   26.628  705.883   26.979   71.964   1.3776   72.476   1.3859 -0.5116425 1.954127 
1 1 1   19    1  -18 o  108.227   1.2063  1573.74   35.066  1602.66   50.014  1545.79   49.177  109.192   1.7053  107.237   1.7074 1.955162 2.413135 
1 1 1   19    1  -17 o   74.882   0.9927  753.254   19.965  747.027   28.173  759.537   28.297   74.561   1.4068   75.183   1.4013 -0.6218643 1.985622 
1 1 1   19    1  -16 o  191.517   1.8945  4930.50   97.450  4945.30  138.072  4915.81  137.560  191.712   2.6814  191.140   2.6795 0.5722198 3.790715 
1 1 1   19    1  -15 o   80.800   1.0929  877.039   23.719  861.172   36.166  889.015   31.421   80.050   1.6821   81.341   1.4382 -1.291481 2.213091 
1 1 1   19    1  -14 o  121.250   1.3007  1975.13   42.359  2001.03   60.339  1949.96   59.480  122.018   1.8411  120.451   1.8385 1.567139 2.601895 
1 1 1   19    1  -13 o   81.101   1.0913  883.539   23.772  891.062   31.602  873.733   36.078   81.437   1.4448   80.636   1.6658 0.8018417 2.205075 
1 1 1   19    1  -12 o  135.070   1.4087  2451.10   51.106  2386.84   71.185  2519.45   73.417  133.261   1.9888  136.912   1.9965 -3.651306 2.818020 
1 1 1   19    1  -11 o  321.774   2.6165 13923.49  226.131 14111.55  308.725 13705.81  332.152  323.756   3.5503  318.992   3.8767 4.764374 5.256760 
1 1 1   19    1  -10 o  192.604   1.5453  4984.09   79.941  4996.42  113.242  4971.85  112.867  192.798   2.1868  192.324   2.1849 0.4745026 3.091300 
1 1 1   19    1   -9 o  104.001   0.9764  1452.81   27.273  1433.47   36.736  1476.56   40.709  103.299   1.3241  104.836   1.4457 -1.537842 1.960421 
1 1 1   19    1   -8 o  238.061   1.9613  7616.09  125.410  7613.99  185.951  7617.85  169.853  237.932   2.9097  238.022   2.6568 -0.8955383E-01 3.940214 
1 1 1   19    1   -7 o   77.378   1.0168  804.226   21.132  792.417   32.426  812.943   27.860   76.799   1.5720   77.792   1.3334 -0.9928970 2.061318 
1 1 1   19    1   -6 o   39.265   0.9875  207.083   10.414  212.443   14.848  201.893   14.610   39.767   1.3902   38.767   1.4031 1.000034 1.975152 
1 1 1   19    1   -5 o   75.666   0.9526  768.993   19.361  738.388   24.049  825.364   32.638   74.141   1.2076   78.380   1.5503 -4.239098 1.965164 
1 1 1   19    1   -4 o  275.103   2.3585 10172.75  174.269 10100.26  223.990 10283.92  277.394  274.040   3.0431  276.416   3.7363 -2.376465 4.818785 
1 1 1   19    1   -3 o  123.518   1.2989  2049.47   43.093  2028.02   54.399  2085.61   70.607  122.860   1.6485  124.575   2.1102 -1.715111 2.677778 
1 1 1   19    1   -2 o  146.191   1.2164  2870.79   47.763  2845.50   67.187  2896.64   67.913  145.529   1.7189  146.830   1.7221 -1.301514 2.433109 
1 1 1   19    1   -1 o  204.969   1.6357  5644.41   90.052  5644.89  127.368  5643.93  127.338  204.934   2.3139  204.917   2.3136 0.1736450E-01 3.272165 
1 1 1   19    1    0 o   62.367   0.7896  522.417   13.226  526.144   18.786  518.754   18.625   62.586   1.1175   62.145   1.1158 0.4410515 1.579225 
1 1 1   19    1    1 o   96.135   0.8905  1241.31   22.994  1247.12   32.603  1235.56   32.433   96.354   1.2598   95.906   1.2591 0.4477463 1.781119 
1 1 1   19    1    2 o  129.882   1.3542  2266.14   47.240  2249.18   59.501  2295.07   77.698  129.384   1.7122  130.677   2.2137 -1.293274 2.798587 
1 1 1   19    1    3 o  140.453   1.2302  2649.90   46.408  2637.62   68.689  2660.21   62.949  140.107   1.8253  140.712   1.6656 -0.6050568 2.471007 
1 1 1   19    1    4 o  142.110   1.3036  2712.89   49.759  2751.74   79.363  2687.72   63.872  143.095   2.0649  141.437   1.6813 1.658051 2.662852 
1 1 1   19    1    5 o   61.218   1.0107  503.376   16.618  529.039   24.069  480.000   22.971   62.754   1.4280   59.775   1.4308 2.979225 2.021476 
1 1 1   19    1    6 o  101.774   0.9677  1391.26   26.454  1376.11   35.603  1409.93   39.528  101.212   1.3097  102.446   1.4365 -1.233231 1.943924 
1 1 1   19    1    7 o  284.377   2.3228 10870.49  177.422 10775.02  238.857 10987.99  264.999  283.018   3.1422  285.751   3.4527 -2.733612 4.668489 
1 1 1   19    1    8 o   50.522   0.8590  342.835   11.656  318.954   15.939  370.287   17.090   48.728   1.2179   52.503   1.2119 -3.775028 1.718118 
1 1 1   19    1    9 o   99.124   1.0552  1319.81   28.094  1328.44   37.840  1309.21   41.935   99.440   1.4168   98.713   1.5817 0.7265625 2.123417 
1 1 1   19    1   10 o   99.305   0.9560  1324.58   25.500  1324.14   34.553  1325.10   37.787   99.281   1.2958   99.314   1.4166 -0.3322601E-01 1.919823 
1 1 1   19    1   11 o  109.270   1.0204  1603.80   29.948  1595.22   40.443  1614.21   44.563  108.968   1.3818  109.610   1.5137 -0.6423874 2.049541 
1 1 1   19    1   12 o   98.042   0.9495  1291.13   25.003  1285.17   33.801  1298.32   37.156   97.808   1.2866   98.304   1.4072 -0.4958344 1.906774 
1 1 1   19    1   13 o  120.669   1.0982  1956.01   35.592  1930.44   47.888  1987.56   53.200  119.865   1.4874  121.619   1.6286 -1.754326 2.205641 
1 1 1   19    1   14 o  143.231   1.3835  2756.30   53.225  2756.37   71.462  2756.21   79.764  143.207   1.8579  143.189   2.0740 0.1828003E-01 2.784451 
1 1 1   19    1   15 o   89.258   0.9906  1070.18   23.747  1057.43   35.374  1080.65   32.041   88.711   1.4846   89.684   1.3301 -0.9734192 1.993334 
1 1 1   19    1   16 o  165.659   1.3592  3687.29   60.476  3676.60   85.354  3698.07   85.700  165.378   1.9216  165.860   1.9237 -0.4820251 2.719030 
1 1 1   19    1   17 o  114.587   1.0152  1763.85   31.246  1756.82   44.056  1770.97   44.323  114.342   1.4345  114.801   1.4375 -0.4594955 2.030789 
1 1 1   19    1   18 o  106.881   1.0613  1534.68   30.467  1538.06   43.107  1531.31   43.067  106.980   1.5002  106.745   1.5021 0.2350006 2.122979 
1 1 1   19    1   19 o   87.859   0.9324  1036.97   22.003  1043.97   31.130  1029.98   31.104   88.142   1.3149   87.549   1.3227 0.5927124 1.865099 
1 1 1   19    1   20 o  105.620   1.0047  1498.71   28.503  1497.81   38.517  1499.80   42.379  105.571   1.3584  105.634   1.4937 -0.6240082E-01 2.018947 
1 1 1   19    1   21 o   90.295   0.9122  1095.32   22.122  1087.36   29.792  1105.11   33.028   89.953   1.2331   90.678   1.3561 -0.7251129 1.832875 
1 1 1   19    1   22 o  163.384   1.4062  3588.21   61.707  3615.78   83.907  3555.73   91.065  163.947   1.9055  162.553   2.0858 1.394165 2.825111 
1 1 1   19    1   23 o  117.549   1.1999  1857.02   37.884  1844.86   50.511  1872.66   57.277  117.129   1.6056  117.987   1.8074 -0.8583984 2.417550 
1 1 1   19    1   24 o   24.286   0.9531   79.247   6.2168   80.291   8.2439   77.870   9.4661   24.408   1.2618   24.020   1.4744 0.3877316 1.940621 
1 1 1   19    1   25 o  110.202   1.0890  1632.15   32.233  1635.50   45.554  1628.79   45.614  110.275   1.5380  110.048   1.5432 0.2269821 2.178761 
1 1 1   19    1   26 o   12.176   1.6847   20.326   5.3619   23.522   8.0810   17.812   7.1667   13.005   2.4019   11.279   2.4369 1.726165 3.421652 
1 1 1   19    1   27 o   50.947   0.7767  348.732   10.629  342.048   15.719  354.361   14.426   50.443   1.1602   51.348   1.0460 -0.9045677 1.562140 
1 1 1   19    1   28 o   51.219   0.8324  352.501   11.451  343.252   17.057  360.088   15.449   50.526   1.2569   51.757   1.1113 -1.231140 1.677773 
1 1 1   19    1   29 o   23.407   1.0156   73.643   6.3850   85.893   9.5572   63.768   8.5810   25.230   1.4161   21.721   1.4797 3.508575 2.048092 
1 1 1   19    1   30 o   43.180   0.7537  250.521   8.7417  248.237   12.309  252.845   12.417   42.972   1.0665   43.369   1.0660 -0.3969650 1.507869 
1 1 1   19    1   31 o   60.497   0.7667  491.786   12.458  495.278   17.629  488.302   17.608   60.694   1.0814   60.265   1.0878 0.4293633 1.533864 
1 1 1   19    1   32 o   29.582   0.8555  117.613   6.7977  126.665   9.7203  108.949   9.5098   30.688   1.1793   28.459   1.2441 2.229406 1.714213 
1 1 1   19    1   33 o   32.632   0.8317  143.123   7.2893  142.268   10.316  143.976   10.302   32.521   1.1810   32.716   1.1724 -0.1949577 1.664088 
1 1 1   19    1   34 o   6.4547   2.3106   4.7760   5.0786   0.8519   7.2003   8.6611   7.1643   6.1728   2.5853   8.2340   2.7547 -2.061197 3.777847 
1 1 1   19    1   35 o   43.599   0.8632  255.570   10.108  253.765   14.211  257.417   14.380   43.421   1.2185   43.731   1.2243 -0.3108368 1.727317 
1 1 1   19    1   36 o   29.296   0.9574  115.434   7.5330  115.503   11.310  115.379   10.099   29.276   1.4384   29.271   1.2846 0.5512238E-02 1.928466 
1 1 1   19    1   37 o  111.637   1.1178  1677.52   33.518  1653.55   52.440  1694.07   43.582  110.650   1.7645  112.101   1.4475 -1.450935 2.282216 
1 1 1   19    1   38 o   8.1626   2.5487   8.9931   6.1987   5.8383   8.1303   13.373   9.5795   7.6545   2.8916   9.9682   3.1758 -2.313762 4.294969 
1 1 1   19    1   39 o   23.720   1.0660   75.736   6.7914   76.629   9.5295   74.815   9.6812   23.786   1.4993   23.496   1.5427 0.2902775 2.151192 
1 1 1   19    1   40 o   33.917   0.9529  154.791   8.6806  152.975   11.391  157.306   13.407   33.693   1.2587   34.146   1.4618 -0.4532204 1.929039 
1 1 1   19    1   41 o   67.516   0.8993  613.313   16.308  620.955   23.485  606.196   22.664   67.868   1.2883   67.063   1.2583 0.8054810 1.800830 
1 1 1   19    1   42 o   33.228   1.0471  148.683   9.3455  137.260   11.251  174.102   16.783   31.901   1.3131   35.870   1.7421 -3.968567 2.181507 
1 1 1   19    1   43 o   31.544   1.0109  134.005   8.5646  151.710   12.077  116.090   12.148   33.528   1.3411   29.265   1.5510 4.263233 2.050375 
1 1 1   19    1   44 o   17.331   1.9085   41.252   8.7365   34.200   12.746   47.501   11.998   15.462   3.1754   18.482   2.4795 -3.019929 4.028807 
1 1 1   19    1   45 o   20.456   1.3865   56.796   7.5728   55.388   11.535   57.863   10.040   20.044   2.1776   20.567   1.8367 -0.5230637 2.848734 
1 1 1   19    1   46 o   25.069   1.1246   84.760   7.5725   82.562   10.717   86.952   10.702   24.633   1.6290   25.291   1.5834 -0.6581173 2.271715 
1 1 1   19    1   47 o   23.994   1.2193   77.909   7.8317   84.153   11.558   72.608   10.649   24.843   1.7432   23.070   1.7312 1.773212 2.456782 
1 1 1   19    1   48 f   20.331   1.3385   56.095   7.2681   52.007   10.289   60.167   10.268   19.446   1.9983   20.965   1.8422 -1.518984 2.717943 
1 1 1   19    1   49 o   11.992   2.1770   20.222   6.7538   18.263   9.4201   22.295   9.6881   11.282   3.0401   12.452   2.9433 -1.169820 4.231431 
1 1 1   19    1   50 o   30.436   1.0389  124.924   8.4932  104.182   11.717  147.887   12.329   27.675   1.5829   33.061   1.3884 -5.386530 2.105484 
1 1 1   19    1   51 o   9.2954   2.7519   12.188   7.3558   7.3452   9.5524   19.244   11.530   8.3049   3.1350   11.574   3.4497 -3.268725 4.661366 
1 1 1   19    1   52 f   16.007   1.8045   35.383   7.6227   29.149   9.9128   44.403   11.924   14.268   2.6852   17.727   2.5800 -3.459085 3.723787 
1 1 1   19    1   53 o   27.030   1.5640   99.834   11.306  105.759   14.818   91.580   17.489   27.672   2.0074   25.504   2.5890 2.167265 3.276058 
1 1 1   19    1   54 o   18.450   1.8192   47.165   8.8977   48.018   12.315   46.234   12.870   18.348   2.5694   17.919   2.7630 0.4290543 3.773078 
1 1 1   19    1   55 o   14.345   2.7341   30.081   10.150   25.678   14.335   34.507   14.373   12.917   3.8457   15.007   3.6099 -2.089768 5.274560 
1 1 1   19    1   56 o   9.8030   3.1362   14.058   9.3347   12.928   12.504   15.481   14.030   9.8395   3.6109   10.547   3.8319 -0.7076015 5.265162 
1 1 1   19    1   57 o   11.977   2.8725   21.671   9.1215   12.633   12.955   30.555   12.845   9.7490   3.6570   13.988   3.4422 -4.239152 5.022188 
1 1 1   19    2  -54 o   18.884   5.3938   60.470   28.718   0.0000   0.0000   60.470   28.718  ?   ?    18.884   5.3938 0.000000 5.393824 
1 1 1   19    2  -53 o   10.309   3.8973   12.734   14.776 -10.1100   35.043   17.674   16.296   11.271   5.1569   11.444   4.1339 -0.1724615 6.609350 
1 1 1   19    2  -52 o   13.923   3.1609   28.442   11.551   38.309   16.356   18.624   16.314   15.958   3.8585   11.719   4.1470 4.238786 5.664428 
1 1 1   19    2  -51 o   21.987   1.6859   66.158   9.8801   67.320   14.203   65.068   13.753   21.958   2.4499   21.596   2.4123 0.3621578 3.438245 
1 1 1   19    2  -50 o   30.139   1.3699  122.936   11.090  134.376   15.587  111.209   15.781   31.355   1.8590   28.450   2.0796 2.905031 2.789404 
1 1 1   19    2  -49 o   22.528   1.6121   69.170   9.6901   59.163   13.467   79.914   13.954   20.611   2.4826   24.084   2.1807 -3.472731 3.304345 
1 1 1   19    2  -48 o   9.7836   3.1066   13.155   9.1726   12.684   12.063   13.802   14.123   10.065   3.5656   10.633   3.8474 -0.5678730 5.245516 
1 1 1   19    2  -47 o   26.746   2.0140   97.976   14.362   88.372   21.390  105.860   19.381   24.999   3.2636   27.619   2.6449 -2.620314 4.200783 
1 1 1   19    2  -46 o   37.687   1.3106  191.881   13.267  173.756   19.209  208.409   18.344   35.664   2.0136   39.187   1.7428 -3.522541 2.663074 
1 1 1   19    2  -45 o   18.047   2.2936   45.187   10.867   45.405   18.431   45.071   13.454   17.602   3.9906   17.858   2.9047 -0.2562542 4.935833 
1 1 1   19    2  -44 o   13.922   2.7294   27.513   9.8414   24.410   12.478   32.621   16.009   13.006   3.4964   14.950   3.9337 -1.943797 5.262956 
1 1 1   19    2  -43 o   54.786   1.0568  404.420   15.551  411.831   22.097  397.147   21.889   55.196   1.4905   54.200   1.5036 0.9960747 2.117138 
1 1 1   19    2  -42 o   24.023   1.4933   78.262   9.5878   75.572   13.687   80.854   13.435   23.471   2.1966   24.310   2.0776 -0.8390026 3.023433 
1 1 1   19    2  -41 o   35.867   1.2972  173.485   12.497  171.737   15.920  176.289   20.170   35.638   1.6632   35.977   2.0964 -0.3382301 2.676011 
1 1 1   19    2  -40 o   30.318   1.2828  123.910   10.446  123.811   15.309  123.995   14.290   30.180   1.8982   30.227   1.7678 -0.4652596E-01 2.593922 
1 1 1   19    2  -39 o   44.369   1.1139  265.087   13.274  272.545   17.644  255.359   20.150   44.946   1.4615   43.466   1.7260 1.479534 2.261636 
1 1 1   19    2  -38 o   14.006   2.9887   27.810   10.900   45.690   16.811   14.839   14.318   17.904   3.6203   10.999   3.8858 6.905361 5.310946 
1 1 1   19    2  -37 o   22.839   1.4295   70.600   8.7245   57.619   12.382   83.399   12.295   20.486   2.2894   24.768   1.8619 -4.282290 2.950925 
1 1 1   19    2  -36 o   32.319   1.1474  140.611   9.9602  143.374   14.131  137.884   14.041   32.597   1.6140   31.923   1.6432 0.6745377 2.303270 
1 1 1   19    2  -35 o   52.720   1.1535  374.087   16.333  383.750   27.887  369.042   20.151   53.287   1.9485   52.332   1.4337 0.9556160 2.419058 
1 1 1   19    2  -34 o   19.041   2.1435   49.637   10.772   41.889   14.418   59.426   16.206   17.258   3.2291   20.689   3.0043 -3.431128 4.410547 
1 1 1   19    2  -33 o   90.933   1.1206  1112.36   27.370  1119.82   38.850  1105.00   38.565   91.160   1.5867   90.555   1.5856 0.6046753 2.243120 
1 1 1   19    2  -32 o   49.377   0.9684  327.798   12.843  316.448   17.993  339.587   18.339   48.487   1.3816   50.230   1.3593 -1.743271 1.938177 
1 1 1   19    2  -31 o   14.670   1.9741   29.538   7.5808   28.911   10.538   30.210   10.914   14.365   2.8317   14.686   2.8698 -0.3202305 4.031690 
1 1 1   19    2  -30 o   41.361   0.9986  229.968   11.094  230.016   15.596  229.919   15.783   41.346   1.4044   41.336   1.4216 0.9658813E-02 1.998333 
1 1 1   19    2  -29 o   18.987   1.5185   48.826   7.6792   48.593   10.694   49.074   11.034   18.862   2.1492   18.948   2.2097 -0.8532715E-01 3.082504 
1 1 1   19    2  -28 f   38.353   1.0117  197.712   10.422  198.262   14.890  197.184   14.592   38.389   1.4441   38.286   1.4190 0.1034164 2.024578 
1 1 1   19    2  -27 o   64.566   0.9658  560.259   16.749  577.033   23.935  544.163   23.447   65.502   1.3605   63.609   1.3724 1.893753 1.932446 
1 1 1   19    2  -26 o   31.805   1.2560  136.003   10.729  132.002   13.063  144.297   18.809   31.324   1.5527   32.653   2.1567 -1.329065 2.657527 
1 1 1   19    2  -25 o   88.545   1.5353  1054.61   36.513  1023.34   50.813  1088.00   52.503   87.153   2.1707   89.863   2.1753 -2.710342 3.073063 
1 1 1   19    2  -24 o   70.368   0.9862  665.403   18.639  665.630   26.283  665.173   26.437   70.359   1.3908   70.334   1.3994 0.2470398E-01 1.973012 
1 1 1   19    2  -23 o   68.238   0.9763  625.688   17.893  616.256   25.075  635.475   25.541   67.703   1.3789   68.751   1.3832 -1.047417 1.953089 
1 1 1   19    2  -22 o  118.956   1.2954  1902.06   41.388  1885.71   58.241  1918.75   58.827  118.391   1.8316  119.423   1.8340 -1.032188 2.591917 
1 1 1   19    2  -21 o  105.369   1.1890  1492.06   33.650  1491.78   47.541  1492.34   47.635  105.323   1.6806  105.343   1.6835 -0.1983643E-01 2.378777 
1 1 1   19    2  -20 f   93.081   1.5544  1164.77   38.862  1197.55   55.778  1133.85   54.175   94.331   2.2015   91.788   2.1975 2.542610 3.110531 
1 1 1   19    2  -19 o   96.170   1.5828  1243.28   40.885  1212.73   56.933  1275.82   58.751   94.934   2.2328   97.371   2.2464 -2.437126 3.167324 
1 1 1   19    2  -18 o   55.015   1.0652  406.639   15.740  380.288   26.268  421.400   19.660   53.181   1.8390   55.999   1.3071 -2.817806 2.256191 
1 1 1   19    2  -17 o  133.062   1.3988  2379.31   49.991  2339.38   70.075  2420.69   71.338  131.898   1.9780  134.170   1.9796 -2.272537 2.798458 
1 1 1   19    2  -16 o   91.105   1.0857  1115.07   26.567  1143.38   38.040  1088.12   37.119   92.238   1.5355   89.981   1.5359 2.256660 2.171770 
1 1 1   19    2  -15 o   83.396   1.0351  934.297   23.185  940.052   32.910  928.627   32.668   83.640   1.4650   83.130   1.4631 0.5097809 2.070451 
1 1 1   19    2  -14 o   87.734   1.0579  1034.02   24.930  1015.01   34.933  1053.76   35.588   86.911   1.4965   88.555   1.4962 -1.643814 2.116168 
1 1 1   19    2  -13 f  266.775   2.5690  9573.47  184.081  9608.61  260.945  9538.67  259.718  267.042   3.6381  266.070   3.6342 0.9726563 5.142340 
1 1 1   19    2  -12 o   49.226   0.8405  325.476   11.113  323.778   14.443  327.940   17.399   49.094   1.0953   49.406   1.3112 -0.3114662 1.708475 
1 1 1   19    2  -11 o  170.191   1.3856  3891.54   63.338  3866.13   89.222  3917.36   89.929  169.598   1.9587  170.718   1.9612 -1.119965 2.771801 
1 1 1   19    2  -10 o   56.206   0.7014  424.299   10.589  422.207   14.940  426.411   15.011   56.064   0.9922   56.343   0.9919 -0.2784004 1.402946 
1 1 1   19    2   -9 o  160.140   1.3139  3445.23   56.515  3503.43   80.741  3389.32   79.132  161.458   1.8618  158.808   1.8552 2.650818 2.628341 
1 1 1   19    2   -8 o  173.081   1.4056  4024.67   65.344  4026.51   92.479  4022.83   92.343  173.086   1.9892  173.007   1.9872 0.7897949E-01 2.811794 
1 1 1   19    2   -7 o  172.717   1.4035  4007.74   65.111  3936.40   91.131  4082.13   93.061  171.141   1.9825  174.280   1.9881 -3.138809 2.807632 
1 1 1   19    2   -6 o  103.086   1.1439  1427.47   31.673  1442.05   51.831  1418.78   40.013  103.590   1.8629  102.764   1.4497 0.8258972 2.360470 
1 1 1   19    2   -5 o   94.662   0.9629  1203.62   24.481  1207.20   38.681  1201.22   31.619   94.791   1.5193   94.563   1.2449 0.2284164 1.964194 
1 1 1   19    2   -4 o  123.591   1.1115  2051.78   36.898  2064.64   54.867  2041.16   49.855  123.961   1.6479  123.259   1.5059 0.7018585 2.232361 
1 1 1   19    2   -3 o   51.240   0.7284  352.632   10.025  343.997   13.569  363.011   14.876   50.607   0.9983   51.986   1.0654 -1.379204 1.460014 
1 1 1   19    2   -2 o   67.223   0.8137  606.943   14.692  607.478   19.049  606.157   23.082   67.250   1.0546   67.174   1.2794 0.7625580E-01 1.657988 
1 1 1   19    2   -1 o  274.043   2.6295 10097.71  193.548  9998.88  243.329 10267.95  319.353  272.600   3.3233  276.063   4.3070 -3.462921 5.440082 
1 1 1   19    2    0 o   89.753   1.1185  1082.06   26.964  1043.02   34.945  1139.51   42.392   88.112   1.4766   92.091   1.7138 -3.979385 2.262203 
1 1 1   19    2    1 o  229.391   1.9894  7071.58  122.573  7137.31  174.363  7007.35  172.343  230.375   2.8179  228.269   2.8110 2.106262 3.980210 
1 1 1   19    2    2 o  211.155   1.8423  5991.35  104.488  5949.79  134.323  6055.04  166.274  210.380   2.3771  212.179   2.9176 -1.799423 3.763416 
1 1 1   19    2    3 o  220.909   1.8317  6557.63  108.680  6536.48  146.865  6583.24  161.581  220.498   2.4798  221.261   2.7189 -0.7630005 3.679939 
1 1 1   19    2    4 o  156.616   1.4154  3295.26   59.539  3230.96   93.045  3339.85   77.477  155.039   2.2344  157.653   1.8297 -2.614258 2.887966 
1 1 1   19    2    5 o  250.194   1.9693  8412.48  132.338  8397.03  186.927  8428.00  187.381  249.875   2.7852  250.336   2.7868 -0.4602661 3.940026 
1 1 1   19    2    6 o   99.245   0.9533  1322.98   25.410  1342.34   37.945  1307.25   34.215   99.958   1.4133   98.646   1.2914 1.312042 1.914442 
1 1 1   19    2    7 o  133.872   1.2461  2407.54   44.806  2404.96   63.304  2410.14   63.427  133.781   1.7618  133.924   1.7633 -0.1437836 2.492587 
1 1 1   19    2    8 o  142.159   1.3787  2715.04   52.644  2724.19   70.730  2703.68   78.826  142.377   1.8496  141.828   2.0693 0.5493164 2.775385 
1 1 1   19    2    9 o  151.117   1.4497  3068.13   58.840  3087.00   79.231  3044.94   87.862  151.554   1.9464  150.503   2.1735 1.050491 2.917658 
1 1 1   19    2   10 o  272.570   2.2320  9988.11  163.408 10001.08  221.348  9972.58  242.252  272.625   3.0229  272.182   3.3137 0.4426880 4.485346 
1 1 1   19    2   11 o  102.722   1.0282  1417.41   28.369  1399.58   39.845  1435.74   40.400  102.062   1.4535  103.372   1.4551 -1.309868 2.056691 
1 1 1   19    2   12 o  128.382   1.2077  2214.22   41.645  2232.76   53.959  2186.91   65.492  128.904   1.5585  127.555   1.9116 1.349144 2.466396 
1 1 1   19    2   13 f   30.134   0.8824  121.973   7.1418  121.025   9.1776  123.428   11.371   30.015   1.1384   30.309   1.3969 -0.2940331 1.802008 
1 1 1   19    2   14 o   57.072   0.8763  437.519   13.433  426.924   16.914  455.619   22.107   56.373   1.1171   58.231   1.4135 -1.857861 1.801602 
1 1 1   19    2   15 o   50.081   0.8391  336.896   11.288  333.935   13.739  343.044   19.799   49.858   1.0260   50.526   1.4590 -0.6676826 1.783579 
1 1 1   19    2   16 o  145.667   1.2758  2851.02   49.914  2817.70   67.034  2892.49   74.775  144.783   1.7238  146.678   1.8980 -1.894913 2.563974 
1 1 1   19    2   17 o   66.710   0.8452  597.792   15.144  610.675   19.474  578.080   24.089   67.420   1.0754   65.589   1.3674 1.831734 1.739609 
1 1 1   19    2   18 o   31.672   0.8482  134.749   7.2159  126.040   9.4899  146.686   11.110   30.628   1.1536   33.040   1.2520 -2.411991 1.702394 
1 1 1   19    2   19 o  141.937   1.3127  2707.39   50.044  2669.46   70.078  2746.86   71.489  140.891   1.8518  142.918   1.8623 -2.026794 2.626327 
1 1 1   19    2   20 f   91.663   1.0701  1128.94   26.345  1145.78   33.538  1101.81   42.572   92.331   1.3524   90.517   1.7511 1.813766 2.212506 
1 1 1   19    2   21 o   97.379   0.9149  1273.99   23.928  1263.82   33.615  1284.44   34.069   96.970   1.2907   97.757   1.2975 -0.7876740 1.830127 
1 1 1   19    2   22 o   26.152   0.9571   91.892   6.7231   94.935   9.3460   88.629   9.6786   26.576   1.3093   25.637   1.4110 0.9384098 1.924901 
1 1 1   19    2   23 o   58.132   0.7754  453.995   12.108  457.211   16.341  450.081   18.028   58.330   1.0430   57.869   1.1599 0.4609566 1.559898 
1 1 1   19    2   24 o   93.228   0.9688  1167.93   24.259  1182.52   34.507  1153.67   34.111   93.781   1.3699   92.630   1.3710 1.151245 1.938168 
1 1 1   19    2   25 o   55.901   0.7372  419.824   11.069  413.696   15.502  426.197   15.809   55.482   1.0403   56.313   1.0452 -0.8318787 1.474671 
1 1 1   19    2   26 o   94.448   0.9406  1198.76   23.861  1198.05   35.408  1199.35   32.295   94.383   1.3967   94.446   1.2731 -0.6268311E-01 1.889868 
1 1 1   19    2   27 o  140.737   1.3725  2663.87   51.880  2670.73   77.923  2658.42   69.530  140.789   2.0607  140.510   1.8424 0.2784119 2.764168 
1 1 1   19    2   28 f   17.538   1.2685   41.578   5.9349   45.518   8.8628   38.375   7.9910   18.294   1.8282   16.786   1.8005 1.508440 2.565944 
1 1 1   19    2   29 o  112.869   1.0619  1712.59   32.192  1714.90   47.856  1710.69   43.506  112.876   1.5785  112.759   1.4365 0.1171112 2.134278 
1 1 1   19    2   30 o   70.587   0.8378  669.599   15.884  678.557   23.752  662.354   21.363   71.029   1.2450   70.185   1.1332 0.8440323 1.683558 
1 1 1   19    2   31 o   19.923   1.1015   53.537   5.8714   59.389   8.3183   47.727   8.2885   20.952   1.4878   18.751   1.6630 2.201050 2.231439 
1 1 1   19    2   32 o   32.131   0.8375  138.763   7.2277  138.738   10.152  138.789   10.293   32.115   1.1769   32.120   1.1931 -0.5062103E-02 1.675868 
1 1 1   19    2   33 o  141.643   1.2070  2699.65   45.919  2678.18   64.669  2721.49   65.213  140.940   1.7083  142.074   1.7089 -1.134827 2.416368 
1 1 1   19    2   34 o   6.2780   2.5035   2.7038   6.3542  -5.9949   9.7869   9.0424   8.3544   6.0446   2.7500   8.5797   2.9725 -2.535045 4.049465 
1 1 1   19    2   35 o   63.700   0.8664  545.607   14.824  558.224   23.375  537.120   19.172   64.374   1.3519   63.175   1.1299 1.199600 1.761903 
1 1 1   19    2   36 o   47.363   0.8108  301.619   10.315  299.056   14.844  304.011   14.344   47.131   1.1726   47.524   1.1237 -0.3936729 1.624104 
1 1 1   19    2   37 o   52.634   0.7889  372.495   11.153  374.666   15.657  370.258   15.892   52.757   1.1050   52.443   1.1282 0.3138924 1.579186 
1 1 1   19    2   38 o   31.687   0.9200  135.077   7.8304  136.710   10.889  133.328   11.269   31.853   1.2728   31.451   1.3340 0.4014931 1.843723 
1 1 1   19    2   39 o   67.034   0.8243  604.358   14.841  609.093   20.914  599.555   21.063   67.249   1.1579   66.717   1.1754 0.5315704 1.649940 
1 1 1   19    2   40 o   55.831   0.8982  419.397   13.469  424.022   19.073  414.797   19.022   56.087   1.2661   55.472   1.2767 0.6151848 1.798044 
1 1 1   19    2   41 o   55.647   0.9094  416.714   13.592  424.928   17.306  403.494   21.955   56.159   1.1474   54.662   1.4954 1.496750 1.884837 
1 1 1   19    2   42 o   29.121   1.0437  114.222   8.1638  130.474   10.869   93.185   12.366   31.099   1.3012   26.173   1.7694 4.925600 2.196398 
1 1 1   19    2   43 o   9.4283   2.6713   12.511   7.0730   3.0803   9.8242   22.661   10.191   7.5112   3.0701   12.575   3.0490 -5.063609 4.326892 
1 1 1   19    2   44 o   37.745   0.9546  191.889   9.6783  191.265   12.758  192.734   14.854   37.643   1.2619   37.754   1.4648 -0.1111794 1.933378 
1 1 1   19    2   45 o   36.559   0.9147  180.000   8.9819  180.368   12.581  179.618   12.827   36.547   1.2817   36.466   1.3096 0.8044052E-01 1.832422 
1 1 1   19    2   46 o   40.244   1.0029  218.265   10.841  226.844   16.480  211.720   14.394   40.939   1.4988   39.579   1.3540 1.360050 2.019782 
1 1 1   19    2   47 o   27.717   1.0648  103.587   7.9270  103.864   11.081  103.297   11.345   27.661   1.4971   27.577   1.5377 0.8404732E-01 2.146131 
1 1 1   19    2   48 o   24.062   1.2485   78.399   8.0410   63.955   11.517   92.136   11.232   21.577   2.0104   26.022   1.6149 -4.445587 2.578745 
1 1 1   19    2   49 o   51.679   0.9497  359.889   13.182  341.350   20.071  373.951   17.481   50.205   1.4885   52.616   1.2369 -2.410694 1.935337 
1 1 1   19    2   50 o   28.625   1.1788  110.676   9.0632  108.063   11.599  114.772   14.522   28.188   1.5379   28.965   1.8768 -0.7770367 2.426405 
1 1 1   19    2   51 o   7.0774   2.7404   4.6838   7.4231   1.8637   9.6401   8.7918   11.635   7.1590   2.9943   9.0719   3.4514 -1.912870 4.569200 
1 1 1   19    2   52 o   18.643   1.9710   48.163   9.7198   39.740   12.330   61.988   15.797   16.627   2.8644   20.837   2.9012 -4.210760 4.077024 
1 1 1   19    2   53 o   11.175   2.9457   18.337   8.9671   17.553   12.227   19.248   13.190   11.047   3.5946   11.511   3.7328 -0.4641428 5.182192 
1 1 1   19    2   54 o   9.4066   3.0470   12.550   8.7903   14.093   13.154   11.304   11.816   10.278   3.7139   9.4901   3.5057 0.7877855 5.107155 
1 1 1   19    2   55 f   21.342   1.6228   62.894   9.2329   70.214   12.912   55.236   13.207   22.318   2.1819   19.591   2.5721 2.727303 3.372910 
1 1 1   19    2   56 f   17.429   2.1542   43.221   9.8698   46.574   15.128   40.736   13.023   17.463   3.3470   16.469   3.0568 0.9948883 4.532822 
1 1 1   19    3  -53 o   17.523   4.0440   47.505   18.647   0.0000   0.0000   47.505   18.647  ?   ?    17.523   4.0440 0.000000 4.043992 
1 1 1   19    3  -52 o   24.465   2.5284   84.291   16.375   77.800   38.380   85.736   18.106   21.193   6.2886   24.553   2.7954 -3.359486 6.881927 
1 1 1   19    3  -51 o   10.735   3.5428   16.064   11.862   0.7293   16.797   31.319   16.753   8.9297   3.8504   14.426   4.1195 -5.495811 5.638794 
1 1 1   19    3  -50 o   33.507   1.4018  152.115   12.616  158.802   21.649  148.676   15.524   33.872   2.3950   32.998   1.7579 0.8743057 2.970913 
1 1 1   19    3  -49 o   36.733   1.2238  182.314   12.074  183.145   17.006  181.469   17.146   36.708   1.7248   36.533   1.7474 0.1741562 2.455291 
1 1 1   19    3  -48 o   36.448   1.3554  179.641   13.268  178.222   20.899  180.598   17.173   36.048   2.1686   36.460   1.7537 -0.4114723 2.788915 
1 1 1   19    3  -47 o   11.756   3.1790   19.891   10.279   14.049   12.961   29.792   16.875   10.505   3.6987   14.273   4.1519 -3.768320 5.560446 
1 1 1   19    3  -46 o   37.123   1.4211  186.419   14.170  234.943   26.179  166.313   16.852   41.347   2.3671   34.942   1.8017 6.404930 2.974806 
1 1 1   19    3  -45 f   35.792   1.2570  172.997   12.084  162.770   17.599  182.120   16.621   34.544   1.9041   36.642   1.6888 -2.098061 2.545149 
1 1 1   19    3  -44 o   31.220   1.3147  131.659   11.024  118.618   15.846  143.891   15.347   29.452   2.0152   32.516   1.7638 -3.063852 2.678049 
1 1 1   19    3  -43 o   19.191   2.0860   50.708   10.579   48.159   13.098   55.492   17.944   18.541   2.7102   19.678   3.5246 -1.136963 4.446088 
1 1 1   19    3  -42 o   42.710   1.0945  245.826   12.555  220.977   17.320  273.343   18.226   40.414   1.5956   44.966   1.5091 -4.551708 2.196179 
1 1 1   19    3  -41 o   27.024   1.3693   98.814   9.9064  103.593   14.210   94.295   13.818   27.571   1.9310   26.290   1.9712 1.280930 2.759456 
1 1 1   19    3  -40 o   10.135   3.0120   14.310   8.7995   18.898   10.923   5.8263   14.853   11.568   3.3333   9.3909   3.7985 2.177216 5.053675 
1 1 1   19    3  -39 o   34.135   1.2238  157.023   11.220  161.922   16.065  152.358   15.678   34.604   1.7284   33.520   1.7475 1.084572 2.457858 
1 1 1   19    3  -38 o   55.696   1.1840  417.856   17.711  425.772   21.644  401.812   30.815   56.181   1.4343   54.437   2.1075 1.743973 2.549318 
1 1 1   19    3  -37 f   46.895   1.2150  296.242   15.304  289.834   26.626  299.404   18.701   46.237   2.1440   47.111   1.4779 -0.8737335 2.604023 
1 1 1   19    3  -36 o  100.874   1.1954  1370.35   32.388  1359.04   45.579  1381.88   46.033  100.317   1.6916  101.155   1.6943 -0.8383102 2.394190 
1 1 1   19    3  -35 o   58.350   1.0043  458.079   15.739  450.253   22.253  465.912   22.264   57.794   1.4336   58.794   1.4099 -0.9999847 2.010695 
1 1 1   19    3  -34 o   56.331   1.1585  427.098   17.528  475.557   30.909  404.127   21.281   59.321   1.9399   54.761   1.4469 4.560066 2.420057 
1 1 1   19    3  -33 o   38.433   1.1963  198.800   12.349  201.485   15.281  193.745   20.966   38.670   1.4712   37.804   2.0728 0.8665543 2.541793 
1 1 1   19    3  -32 o   28.337   1.1978  108.048   9.1166  113.713   13.007  102.578   12.781   28.995   1.6774   27.527   1.7376 1.468538 2.415157 
1 1 1   19    3  -31 o   32.177   1.1274  139.257   9.7431  132.054   13.830  146.354   13.728   31.263   1.6529   32.964   1.5506 -1.701256 2.266345 
1 1 1   19    3  -30 o   49.275   0.9763  326.414   12.921  326.450   18.139  326.377   18.410   49.253   1.3712   49.246   1.3918 0.7007599E-02 1.953786 
1 1 1   19    3  -29 o   70.608   0.9975  670.188   18.917  674.068   26.781  666.324   26.724   70.777   1.4088   70.369   1.4139 0.4082642 1.995967 
1 1 1   19    3  -28 o   97.501   1.1467  1278.20   30.029  1272.48   42.326  1284.00   42.609   97.224   1.6209   97.662   1.6243 -0.4387589 2.294714 
1 1 1   19    3  -27 o   9.2005   2.6506   11.683   6.9072   15.437   9.6011   7.6555   9.9444   10.605   3.1450   8.6168   3.2095 1.988175 4.493534 
1 1 1   19    3  -26 o   30.911   1.0803  128.441   8.9694  113.116   12.546  144.461   12.828   28.947   1.6202   32.770   1.4574 -3.823114 2.179235 
1 1 1   19    3  -25 f   40.926   1.0439  225.119   11.475  208.512   15.145  247.503   17.583   39.373   1.4321   42.892   1.5262 -3.519119 2.092886 
1 1 1   19    3  -24 o   77.163   1.4446  800.783   29.939  746.550   41.009  862.675   43.810   74.448   2.0509   80.031   2.0381 -5.582420 2.891346 
1 1 1   19    3  -23 o   27.380   1.1355  100.761   8.3506   98.816   11.763  102.737   11.857   27.054   1.6264   27.589   1.6070 -0.5350533 2.286392 
1 1 1   19    3  -22 o  115.223   1.2651  1784.69   39.154  1764.63   54.974  1805.34   55.778  114.518   1.7873  115.831   1.7929 -1.312683 2.531543 
1 1 1   19    3  -21 o   50.430   0.9358  341.699   12.675  327.144   17.747  356.854   18.109   49.331   1.3394   51.524   1.3086 -2.192585 1.872504 
1 1 1   19    3  -20 o   97.538   1.1376  1278.48   29.802  1291.40   42.236  1265.68   42.058   97.997   1.6046   97.016   1.6140 0.9813995 2.275967 
1 1 1   19    3  -19 o   48.869   1.0743  320.895   14.101  322.095   17.282  318.505   24.392   48.954   1.3144   48.660   1.8663 0.2935371 2.282690 
1 1 1   19    3  -18 o  101.017   1.6335  1371.96   44.320  1323.74   61.629  1423.62   63.783   99.168   2.3138  102.842   2.3091 -3.673744 3.268847 
1 1 1   19    3  -17 o  137.335   1.6554  2535.66   61.063  2568.00  106.451  2519.80   74.548  138.061   2.8707  136.868   2.0279 1.192047 3.514697 
1 1 1   19    3  -16 o   34.736   1.0039  162.094   9.3661  172.633   13.388  151.993   13.107   35.841   1.3908   33.629   1.4511 2.211800 2.009977 
1 1 1   19    3  -15 o  101.710   1.1536  1389.90   31.514  1377.31   44.319  1402.77   44.820  101.226   1.6301  102.157   1.6335 -0.9314499 2.307670 
1 1 1   19    3  -14 o   86.439   1.0520  1003.76   24.424  994.232   34.470  1013.37   34.610   86.013   1.4921   86.837   1.4839 -0.8242264 2.104349 
1 1 1   19    3  -13 o   91.204   1.0824  1117.47   26.516  1120.01   37.534  1114.94   37.465   91.292   1.5307   91.085   1.5314 0.2069473 2.165257 
1 1 1   19    3  -12 o   65.057   0.7694  568.482   13.443  573.004   18.106  562.927   20.069   65.311   1.0322   64.731   1.1543 0.5792084 1.548455 
1 1 1   19    3  -11 o  148.698   1.2344  2970.60   49.301  2964.17   69.628  2977.07   69.817  148.507   1.7456  148.830   1.7466 -0.3227692 2.469329 
1 1 1   19    3  -10 o  221.411   1.7571  6588.57  104.493  6598.05  147.898  6579.13  147.654  221.485   2.4861  221.167   2.4856 0.3177490 3.515569 
1 1 1   19    3   -9 o  165.536   1.3533  3681.61   60.171  3621.55   84.323  3743.91   85.887  164.145   1.9126  166.894   1.9160 -2.749573 2.707230 
1 1 1   19    3   -8 o   62.083   0.7262  517.683   12.109  533.418   17.312  502.610   16.943   63.016   1.0228   61.169   1.0313 1.846962 1.452484 
1 1 1   19    3   -7 f   64.977   0.9778  567.125   17.065  580.274   22.929  550.799   25.550   65.721   1.2990   64.026   1.4857 1.694595 1.973479 
1 1 1   19    3   -6 o  145.782   1.2154  2855.03   47.590  2860.08   67.372  2850.00   67.232  145.888   1.7194  145.631   1.7188 0.2571106 2.431170 
1 1 1   19    3   -5 o   43.953   0.7253  259.465   8.5629  254.996   12.774  263.112   11.539   43.569   1.0916   44.258   0.9707 -0.6891022 1.460773 
1 1 1   19    3   -4 o  173.602   1.5446  4049.34   72.023  4048.01  113.802  4050.23   93.023  173.509   2.4420  173.592   1.9951 -0.8328247E-01 3.153351 
1 1 1   19    3   -3 o   34.444   0.8985  159.350   8.3119  163.363   11.848  155.461   11.664   34.872   1.2649   34.018   1.2766 0.8539009 1.797143 
1 1 1   19    3   -2 o  189.487   1.6713  4824.63   85.061  4815.73  134.269  4830.60  109.936  189.232   2.6417  189.568   2.1591 -0.3361969 3.411845 
1 1 1   19    3   -1 o  199.357   1.7488  5340.62   93.639  5339.40  132.436  5341.83  132.416  199.273   2.4744  199.319   2.4734 -0.4554749E-01 3.498631 
1 1 1   19    3    0 o  139.796   1.2266  2625.30   46.056  2656.23   62.854  2589.44   67.680  140.599   1.6644  138.812   1.8153 1.786392 2.462807 
1 1 1   19    3    1 o  172.271   1.4021  3987.12   64.876  4054.59   92.697  3922.35   90.827  173.688   1.9870  170.833   1.9795 2.855469 2.804759 
1 1 1   19    3    2 o  112.055   1.1484  1686.72   34.563  1687.61   46.353  1685.59   51.870  112.073   1.5399  111.999   1.7243 0.7385254E-01 2.311775 
1 1 1   19    3    3 o  160.048   1.3748  3441.36   59.101  3466.25   80.355  3412.03   87.231  160.600   1.8628  159.328   2.0384 1.272217 2.761377 
1 1 1   19    3    4 o  265.297   2.1750  9461.32  154.981  9451.39  209.596  9473.31  230.203  265.050   2.9442  265.309   3.2305 -0.2587891 4.370832 
1 1 1   19    3    5 o   96.878   1.0994  1260.73   28.607  1290.24   40.858  1232.36   40.066   97.993   1.5524   95.769   1.5576 2.223358 2.199072 
1 1 1   19    3    6 o  127.620   1.1990  2187.92   41.098  2180.99   57.931  2194.95   58.313  127.398   1.6930  127.804   1.6987 -0.4068680 2.398332 
1 1 1   19    3    7 f  212.349   1.9551  6060.82  111.508  6107.24  167.868  6024.16  149.175  213.047   2.9336  211.634   2.6243 1.413605 3.936128 
1 1 1   19    3    8 o  163.617   1.5518  3597.15   68.194  3590.63   91.324  3605.36  102.528  163.432   2.0804  163.747   2.3312 -0.3141632 3.124523 
1 1 1   19    3    9 o  170.149   1.5228  3890.09   69.594  3854.66   89.283  3944.94  111.095  169.341   1.9630  171.272   2.4150 -1.931229 3.112139 
1 1 1   19    3   10 o  143.551   1.3918  2768.73   53.665  2776.48   72.025  2759.06   80.460  143.724   1.8658  143.256   2.0911 0.4675446 2.802481 
1 1 1   19    3   11 o   40.678   0.8437  222.258   9.2182  225.688   11.398  215.773   15.673   40.989   1.0353   40.073   1.4562 0.9159546 1.786739 
1 1 1   19    3   12 o   53.697   1.0058  387.325   14.506  395.211   17.854  372.007   24.882   54.237   1.2256   52.609   1.7609 1.627876 2.145463 
1 1 1   19    3   13 o   89.547   1.0512  1077.23   25.283  1091.61   32.154  1053.93   40.922   90.135   1.3282   88.550   1.7206 1.584686 2.173574 
1 1 1   19    3   14 o  238.090   2.0638  7622.86  131.978  7717.82  171.621  7485.43  206.461  239.462   2.6683  235.701   3.2613 3.760986 4.213767 
1 1 1   19    3   15 o  140.861   1.2403  2666.02   46.925  2710.34   64.084  2614.79   68.900  141.996   1.6803  139.458   1.8394 2.538437 2.491358 
1 1 1   19    3   16 o   65.188   0.8236  570.817   14.421  579.041   20.537  562.818   20.254   65.647   1.1647   64.721   1.1651 0.9261780 1.647437 
1 1 1   19    3   17 o  100.352   0.9295  1352.88   25.055  1349.34   35.308  1356.47   35.558  100.204   1.3119  100.468   1.3177 -0.2642136 1.859412 
1 1 1   19    3   18 o   80.517   0.8237  870.886   17.814  879.791   25.263  862.079   25.124   80.916   1.1624   80.097   1.1678 0.8188553 1.647728 
1 1 1   19    3   19 o   13.915   1.4076   26.295   5.1887   30.948   7.0707   20.866   7.6380   15.065   1.7820   12.237   2.4097 2.827918 2.997053 
1 1 1   19    3   20 o   45.120   0.7285  273.470   8.8284  282.138   12.449  264.701   12.522   45.823   1.0115   44.384   1.0504 1.439457 1.458227 
1 1 1   19    3   21 o   70.655   0.8563  670.702   16.251  667.863   22.889  673.587   23.077   70.491   1.2089   70.793   1.2137 -0.3012161 1.713040 
1 1 1   19    3   22 o   53.956   0.8808  391.150   12.764  410.688   18.142  371.997   17.962   55.275   1.2220   52.605   1.2713 2.670101 1.763371 
1 1 1   19    3   23 o   28.907   0.8314  112.270   6.4550  107.072   8.8584  118.155   9.4256   28.224   1.1686   29.648   1.1836 -1.424421 1.663290 
1 1 1   19    3   24 o   31.556   0.8183  133.794   6.9356  141.031   9.7521  126.387   9.8658   32.392   1.1209   30.662   1.1979 1.729616 1.640587 
1 1 1   19    3   25 f   66.319   0.7706  590.921   13.727  596.791   19.418  585.057   19.407   66.633   1.0850   65.974   1.0952 0.6588135 1.541631 
1 1 1   19    3   26 o   46.096   0.7876  285.495   9.7514  279.389   13.692  291.779   13.891   45.589   1.1182   46.589   1.1101 -1.000240 1.575665 
1 1 1   19    3   27 o  108.717   1.0334  1588.75   30.176  1608.92   45.047  1572.32   40.642  109.346   1.5338  108.113   1.3996 1.232712 2.076402 
1 1 1   19    3   28 o   32.174   0.8621  139.112   7.4496  141.897   10.844  136.623   10.251   32.482   1.2430   31.875   1.1974 0.6076946 1.725900 
1 1 1   19    3   29 o   56.880   0.7952  434.766   12.149  428.527   18.033  439.952   16.441   56.449   1.1894   57.204   1.0701 -0.7552109 1.599891 
1 1 1   19    3   30 o   30.387   0.8981  124.114   7.3300  129.239   10.980  119.994   9.8446   30.992   1.3191   29.867   1.2272 1.125273 1.801665 
1 1 1   19    3   31 o   78.582   0.9204  830.138   19.426  842.008   31.278  822.685   24.785   79.078   1.4726   78.202   1.1800 0.8759232 1.887073 
1 1 1   19    3   32 o   28.338   1.0478  108.009   7.9755  102.586   13.690  110.795   9.8125   27.511   1.8637   28.691   1.2733 -1.180164 2.257182 
1 1 1   19    3   33 o   59.188   0.8890  471.029   14.132  462.396   20.632  478.659   19.397   58.602   1.3108   59.635   1.2110 -1.032978 1.784575 
1 1 1   19    3   34 o   40.902   0.7925  224.912   8.7065  223.600   12.201  226.274   12.427   40.762   1.1145   41.004   1.1284 -0.2419472 1.585968 
1 1 1   19    3   35 o   17.065   1.3053   39.457   5.9376   54.829   8.2353   22.815   8.5686   20.104   1.5367   12.732   2.5938 7.372909 3.014845 
1 1 1   19    3   36 o   10.144   2.1039   14.448   5.5443   14.526   7.5094   14.355   8.2203   10.151   2.7053   10.129   2.8833 0.2170372E-01 3.953719 
1 1 1   19    3   37 f   37.687   0.9329  191.089   9.4436  188.119   12.389  195.210   14.591   37.368   1.2343   38.046   1.4278 -0.6776123 1.887392 
1 1 1   19    3   38 o   64.248   0.9316  555.390   16.077  571.581   21.935  536.595   23.632   65.128   1.2539   63.078   1.3949 2.050213 1.875631 
1 1 1   19    3   39 o   33.881   0.9850  154.505   8.9638  154.754   11.118  154.044   15.152   33.888   1.2215   33.759   1.6710 0.1283035 2.069851 
1 1 1   19    3   40 o   28.550   0.9805  109.726   7.5185  128.891   10.581   90.180   10.686   30.918   1.2741   25.791   1.5497 5.126751 2.006259 
1 1 1   19    3   41 o   38.800   0.8630  202.576   8.9937  220.228   12.698  184.805   12.741   40.422   1.1695   37.015   1.2815 3.406864 1.734970 
1 1 1   19    3   42 o   12.257   2.0647   20.966   6.5558   12.361   8.2373   35.833   10.827   9.4783   2.9346   15.981   2.6128 -6.502915 3.929151 
1 1 1   19    3   43 o   39.746   1.0066  212.831   10.746  219.385   14.480  204.796   16.032   40.303   1.3376   38.906   1.5342 1.397873 2.035408 
1 1 1   19    3   44 o   44.593   0.8742  267.736   10.471  275.735   14.331  258.579   15.335   45.206   1.1803   43.754   1.3049 1.451687 1.759499 
1 1 1   19    3   45 f   25.194   1.1663   85.648   7.8920   76.973   10.907   95.183   11.434   23.757   1.7210   26.453   1.6170 -2.695974 2.361442 
1 1 1   19    3   46 o   45.516   0.8846  279.012   10.814  278.511   15.255  279.517   15.332   45.412   1.2507   45.493   1.2548 -0.8110046E-01 1.771638 
1 1 1   19    3   47 o   31.958   1.1476  137.813   9.8506  123.996   16.156  145.989   12.428   30.101   2.0098   32.852   1.4084 -2.751095 2.454212 
1 1 1   19    3   48 o   14.207   1.9414   27.979   7.2144   32.307   10.383   23.940   10.031   15.105   2.6563   12.895   2.9590 2.209250 3.976371 
1 1 1   19    3   49 o   15.021   1.7428   31.072   6.9008   30.548   9.3385   31.703   10.242   14.722   2.4477   14.948   2.6479 -0.2269697 3.605916 
1 1 1   19    3   50 o   24.848   1.3773   83.880   9.1562   83.757   10.931   84.170   16.763   24.768   1.6526   24.545   2.5814 0.2229233 3.065062 
1 1 1   19    3   51 o   12.235   2.3283   21.305   7.3721   22.152   9.5293   20.043   11.634   12.338   2.9209   11.726   3.4580 0.6117506 4.526457 
1 1 1   19    3   52 o   24.996   1.5244   85.402   10.186   97.853   13.747   70.243   15.168   26.625   1.9355   22.291   2.5811 4.333719 3.226208 
1 1 1   19    3   53 o   6.9399   2.8347   3.1350   8.3686   13.812   11.791  -7.7032   11.880   10.072   3.5289   6.4265   2.9631 3.645684 4.607955 
1 1 1   19    3   54 o   23.013   1.5504   72.834   9.5274   79.547   13.667   66.487   13.289   23.798   2.1617   21.669   2.3193 2.128767 3.170491 
1 1 1   19    3   55 o   17.775   2.0468   44.617   9.5934   36.532   14.657   50.676   12.689   15.307   3.6216   18.694   2.5973 -3.386713 4.456695 
1 1 1   19    3   56 o   10.588   3.1412   17.098   9.5767   43.994   18.487   7.2333   11.196   16.308   4.1962   8.3593   3.3264 7.948750 5.354735 
1 1 1   19    4  -53 o   9.5303   4.4280 -13.8900   27.296   0.0000   0.0000 -13.8900   27.296  ?   ?    9.5303   4.4280 0.000000 4.428007 
1 1 1   19    4  -52 o   26.332   2.9297   99.554   20.370   0.0000   0.0000   99.554   20.370  ?   ?    26.332   2.9297 0.000000 2.929734 
1 1 1   19    4  -51 o   32.408   1.6588  143.677   14.391  162.214   20.678  126.267   20.040   34.176   2.2656   30.021   2.5083 4.154694 3.379990 
1 1 1   19    4  -50 o   24.656   2.0510   83.901   13.459   71.120   19.386   95.795   18.701   22.187   3.3581   26.108   2.7061 -3.921015 4.312757 
1 1 1   19    4  -49 o   22.881   1.9102   71.914   11.632   71.572   21.486   72.056   13.835   22.159   3.7434   22.794   2.2908 -0.6350079 4.388760 
1 1 1   19    4  -48 o   18.599   1.9653   47.675   9.6689   50.631   13.376   44.441   13.993   18.967   2.7020   17.633   3.0657 1.333687 4.086473 
1 1 1   19    4  -47 o   7.2772   2.9744   2.9966   9.2209   9.8047   12.536  -5.0279   13.610   9.5169   3.5917   7.4105   3.3185 2.106462 4.890060 
1 1 1   19    4  -46 o   15.040   2.3547   31.693   9.1995   35.030   13.047   28.394   12.973   15.590   3.2224   13.966   3.4730 1.623918 4.737659 
1 1 1   19    4  -45 o   8.2195   3.1950   6.2224   10.121   10.865   18.098   4.1099   12.208   10.792   4.2497   8.3599   3.4203 2.431847 5.455161 
1 1 1   19    4  -44 o   41.775   1.2779  235.731   14.338  275.620   25.531  217.355   17.329   44.946   2.1149   40.046   1.6111 4.900452 2.658632 
1 1 1   19    4  -43 o   15.439   2.2246   33.183   8.9590   48.579   12.727   18.061   12.613   18.635   2.6148   11.410   3.6451 7.225515 4.485953 
1 1 1   19    4  -42 o   38.056   1.2633  195.483   12.913  196.054   16.385  194.546   20.979   38.053   1.6031   37.748   2.0772 0.3050880 2.623830 
1 1 1   19    4  -41 o   21.125   1.6196   60.734   9.1193   56.800   12.596   65.067   13.220   20.272   2.3574   21.729   2.3001 -1.456503 3.293588 
1 1 1   19    4  -40 o   24.751   1.4581   83.023   9.6508   81.783   13.893   84.178   13.416   24.438   2.1381   24.819   2.0303 -0.3810310 2.948493 
1 1 1   19    4  -39 o   23.303   1.6166   73.746   10.056   69.080   12.768   81.366   16.317   22.454   2.1432   24.295   2.5381 -1.841320 3.321908 
1 1 1   19    4  -38 o   47.022   1.1557  297.862   14.597  298.368   20.162  297.305   21.159   46.996   1.5973   46.897   1.6798 0.9844971E-01 2.318010 
1 1 1   19    4  -37 o   16.004   2.3346   35.513   9.7401   32.098   11.693   43.251   17.602   15.059   2.9964   17.339   3.8770 -2.279633 4.899973 
1 1 1   19    4  -36 o   45.251   1.2059  275.830   14.656  304.982   26.201  262.555   17.681   47.445   2.0561   44.113   1.4923 3.331760 2.540572 
1 1 1   19    4  -35 o   40.126   1.0491  216.699   11.306  211.783   15.729  221.955   16.263   39.626   1.4779   40.564   1.4927 -0.9387131 2.100541 
1 1 1   19    4  -34 o   31.750   1.1776  135.725   10.042  140.418   14.016  130.775   14.396   32.217   1.6250   31.072   1.7318 1.144642 2.374850 
1 1 1   19    4  -33 o   16.229   2.2208   36.312   9.4263   36.035   15.709   36.468   11.784   15.884   3.7434   16.144   2.8201 -0.2605848 4.686816 
1 1 1   19    4  -32 o   40.167   1.1815  217.135   12.747  205.712   15.711  239.143   21.806   39.070   1.4971   42.078   1.9295 -3.007313 2.442162 
1 1 1   19    4  -31 o   29.699   1.1535  118.673   9.2014  107.895   12.707  130.555   13.342   28.239   1.6829   31.083   1.6036 -2.843353 2.324574 
1 1 1   19    4  -30 o   85.388   1.0825  980.596   24.826  977.709   35.114  983.481   35.103   85.200   1.5345   85.452   1.5294 -0.2519455 2.166489 
1 1 1   19    4  -29 o   78.151   1.0346  821.204   21.716  820.301   30.664  822.114   30.758   78.061   1.4625   78.147   1.4654 -0.8583069E-01 2.070361 
1 1 1   19    4  -28 o   7.3115   2.6580   5.9085   6.7521   7.8933   9.4474   3.8361   9.6537   8.5439   3.1382   7.6804   3.0778 0.8635459 4.395620 
1 1 1   19    4  -27 o   46.288   0.9641  287.992   11.986  290.409   17.152  285.685   16.758   46.461   1.3745   46.083   1.3539 0.3781815 1.929299 
1 1 1   19    4  -26 o   63.267   0.9667  537.996   16.427  546.836   23.110  528.967   23.355   63.760   1.3495   62.707   1.3867 1.053211 1.934925 
1 1 1   19    4  -25 o   46.512   0.9426  290.748   11.776  288.410   16.457  293.200   16.857   46.308   1.3231   46.690   1.3442 -0.3818169 1.886114 
1 1 1   19    4  -24 o   87.709   1.0817  1034.07   25.482  1001.06   35.450  1069.36   36.653   86.258   1.5301   89.153   1.5307 -2.894241 2.164305 
1 1 1   19    4  -23 o   75.067   1.4273  757.891   28.778  788.018   41.082  728.863   40.324   76.489   1.9997   73.557   2.0410 2.931450 2.857355 
1 1 1   19    4  -22 o   50.173   0.9340  338.268   12.586  321.591   17.407  356.538   18.220   48.905   1.3252   51.495   1.3173 -2.589134 1.868560 
1 1 1   19    4  -21 o   98.213   1.1404  1296.47   30.082  1277.63   42.149  1316.04   42.948   97.456   1.6102   98.910   1.6166 -1.453308 2.281744 
1 1 1   19    4  -20 o   36.234   0.9833  176.415   9.5698  174.969   13.444  177.901   13.625   36.075   1.3875   36.375   1.3946 -0.3007164 1.967251 
1 1 1   19    4  -19 o   95.389   1.1196  1222.80   28.684  1231.53   40.750  1214.23   40.383   95.696   1.5854   95.021   1.5823 0.6744080 2.239914 
1 1 1   19    4  -18 o   89.223   1.2457  1069.93   29.852  1060.19   36.530  1089.49   51.792   88.798   1.5316   89.966   2.1434 -1.167656 2.634358 
1 1 1   19    4  -17 o  163.834   1.9151  3610.87   84.273  3714.65  104.978  3422.78  141.327  166.100   2.3531  159.242   3.3043 6.858017 4.056517 
1 1 1   19    4  -16 o   57.262   1.0756  440.570   16.543  431.146   28.122  445.557   20.457   56.619   1.8492   57.578   1.3228 -0.9591484 2.273628 
1 1 1   19    4  -15 o   33.650   1.1685  152.150   10.561  162.418   18.344  147.059   12.917   34.694   1.9768   33.077   1.4539 1.616066 2.453848 
1 1 1   19    4  -14 o   56.125   0.9241  423.166   13.930  430.204   19.855  416.343   19.549   56.581   1.3065   55.662   1.3076 0.9190178 1.848433 
1 1 1   19    4  -13 o  105.903   1.0489  1506.77   29.835  1507.61   38.237  1505.45   47.702  105.920   1.3440  105.826   1.6782 0.9447479E-01 2.150080 
1 1 1   19    4  -12 o   28.601   0.7162  109.873   5.5014  111.520   7.7576  108.206   7.8030   28.812   1.0025   28.381   1.0236 0.4314594 1.432742 
1 1 1   19    4  -11 o   51.944   0.6934  362.414   9.6741  360.739   13.631  364.114   13.732   51.820   0.9793   52.062   0.9820 -0.2418175 1.386888 
1 1 1   19    4  -10 o  101.393   0.9241  1380.99   25.168  1371.17   35.483  1390.93   35.703  101.020   1.3077  101.745   1.3065 -0.7250900 1.848529 
1 1 1   19    4   -9 o   98.789   0.9519  1310.96   25.258  1301.64   34.032  1322.39   37.687   98.427   1.2873   99.203   1.4144 -0.7765884 1.912489 
1 1 1   19    4   -8 o  158.050   1.3607  3356.34   57.764  3364.39   85.888  3349.70   78.055  158.191   2.0214  157.861   1.8409 0.3310242 2.734068 
1 1 1   19    4   -7 o  160.507   1.3789  3461.48   59.444  3511.07   81.082  3403.86   87.408  161.619   1.8678  159.117   2.0452 2.501099 2.769802 
1 1 1   19    4   -6 f  111.325   1.0333  1664.81   30.898  1692.27   46.356  1642.87   41.448  112.221   1.5379  110.577   1.3955 1.644417 2.076728 
1 1 1   19    4   -5 o  122.679   1.1654  2021.84   38.402  2001.12   54.078  2042.91   54.543  122.028   1.6499  123.296   1.6470 -1.267860 2.331296 
1 1 1   19    4   -4 o  124.027   1.2348  2066.60   41.134  2167.00   73.229  2020.31   49.719  126.957   2.1475  122.619   1.5096 4.337837 2.625021 
1 1 1   19    4   -3 o  208.439   2.0365  5840.47  114.016  5739.13  184.205  5903.40  145.165  206.453   3.3219  209.496   2.5798 -3.042740 4.206029 
1 1 1   19    4   -2 o   63.320   0.9088  538.558   15.457  539.260   19.734  537.445   24.862   63.358   1.1597   63.245   1.4636 0.1126251 1.867329 
1 1 1   19    4   -1 o   92.049   0.9566  1138.14   23.650  1151.96   37.830  1129.27   30.301   92.591   1.5212   91.684   1.2305 0.9078140 1.956535 
1 1 1   19    4    0 o   67.417   0.8270  610.474   14.975  593.513   20.955  628.176   21.408   66.468   1.1737   68.382   1.1656 -1.913589 1.654165 
1 1 1   19    4    1 o   77.927   0.7987  815.639   16.717  838.635   23.989  793.932   23.308   79.012   1.1304   76.877   1.1288 2.134636 1.597482 
1 1 1   19    4    2 o   55.995   0.7177  421.132   10.794  425.649   15.429  416.802   15.107   56.291   1.0205   55.703   1.0098 0.5879364 1.435606 
1 1 1   19    4    3 o  188.178   1.5168  4758.12   76.664  4815.81  109.206  4702.07  107.648  189.263   2.1483  187.015   2.1431 2.247910 3.034449 
1 1 1   19    4    4 o  125.058   1.0777  2100.92   36.198  2104.13   51.269  2097.73   51.115  125.136   1.5254  124.946   1.5231 0.1903458 2.155625 
1 1 1   19    4    5 o   98.307   0.9492  1298.15   25.062  1323.64   34.339  1269.10   36.661   99.258   1.2880   97.188   1.4044 2.070374 1.905657 
1 1 1   19    4    6 f  207.886   1.7343  5808.23   96.836  5857.00  144.356  5768.33  130.574  208.662   2.5757  207.106   2.3473 1.556091 3.484861 
1 1 1   19    4    7 o  109.195   1.0729  1601.77   31.467  1624.69   44.837  1579.52   44.173  109.957   1.5182  108.418   1.5169 1.539406 2.146150 
1 1 1   19    4    8 o   36.537   0.7833  179.311   7.6875  196.217   11.422  165.313   10.394   38.218   1.1128   35.079   1.1031 3.138401 1.566883 
1 1 1   19    4    9 o  265.257   2.1767  9461.76  155.079  9605.04  211.910  9296.54  227.554  267.109   2.9537  262.723   3.2247 4.386017 4.373038 
1 1 1   19    4   10 o  119.766   1.0937  1927.01   35.183  1899.68   47.186  1961.22   52.797  118.897   1.4776  120.799   1.6272 -1.902412 2.198000 
1 1 1   19    4   11 o  118.556   1.1376  1888.35   36.225  1834.98   50.424  1945.27   52.075  116.845   1.6067  120.305   1.6116 -3.459824 2.275667 
1 1 1   19    4   12 o  140.662   1.3650  2658.76   51.570  2658.27   69.196  2659.37   77.343  140.615   1.8321  140.625   2.0477 -0.1005554E-01 2.747688 
1 1 1   19    4   13 o   71.144   0.8467  679.905   16.179  669.630   20.921  695.193   25.518   70.598   1.1033   71.927   1.3209 -1.328354 1.721062 
1 1 1   19    4   14 o   69.823   0.8927  654.913   16.742  631.680   22.111  686.132   25.632   68.565   1.2007   71.455   1.3355 -2.889641 1.795890 
1 1 1   19    4   15 o   94.343   0.9311  1195.73   23.595  1182.38   31.715  1212.27   35.310   93.802   1.2588   94.974   1.3842 -1.171921 1.871009 
1 1 1   19    4   16 o  137.159   1.2154  2528.07   44.774  2584.41   61.318  2463.72   65.534  138.643   1.6466  135.351   1.8026 3.291748 2.441501 
1 1 1   19    4   17 o   81.070   0.8608  882.951   18.745  879.581   25.284  887.064   27.931   80.904   1.1636   81.242   1.2800 -0.3380585 1.729824 
1 1 1   19    4   18 o   41.339   0.7668  229.562   8.5137  224.053   11.431  236.425   12.758   40.834   1.0423   41.944   1.1324 -1.110107 1.539076 
1 1 1   19    4   19 o   40.990   0.7438  225.713   8.1892  239.548   11.627  212.092   11.536   42.222   1.0252   39.728   1.0812 2.494587 1.489969 
1 1 1   19    4   20 o   46.975   0.7338  296.444   9.2579  293.876   12.977  299.106   13.212   46.764   1.0331   47.178   1.0426 -0.4139900 1.467803 
1 1 1   19    4   21 o   97.111   1.0010  1267.30   26.109  1291.37   37.154  1243.81   36.697   97.998   1.4115   96.175   1.4206 1.822540 2.002646 
1 1 1   19    4   22 o   85.985   0.8950  993.455   20.671  984.281   30.476  1001.27   28.131   85.559   1.3262   86.303   1.2136 -0.7437592 1.797626 
1 1 1   19    4   23 o   96.598   0.9984  1254.07   25.903  1202.14   35.622  1312.33   37.735   94.544   1.4028   98.780   1.4223 -4.235832 1.997666 
1 1 1   19    4   24 o   41.311   0.8219  229.309   9.1196  222.507   13.022  235.856   12.776   40.682   1.1918   41.886   1.1356 -1.204697 1.646161 
1 1 1   19    4   25 o   75.269   0.8430  761.286   17.042  756.363   24.773  765.709   23.482   75.000   1.2298   75.468   1.1584 -0.4672546 1.689477 
1 1 1   19    4   26 o   95.966   0.9526  1237.77   24.553  1265.44   33.767  1206.72   35.766   96.999   1.2961   94.710   1.4060 2.289581 1.912236 
1 1 1   19    4   27 o   88.088   0.8716  1042.81   20.622  1025.76   28.893  1060.50   29.443   87.333   1.2318   88.800   1.2345 -1.466393 1.743890 
1 1 1   19    4   28 o   27.211   0.9921   99.537   7.2512  105.316   11.516   95.741   9.3337   27.928   1.5413   26.677   1.3026 1.250353 2.017999 
1 1 1   19    4   29 o   98.034   1.0270  1292.19   27.042  1263.63   42.564  1311.52   35.017   96.856   1.6361   98.726   1.3206 -1.869995 2.102579 
1 1 1   19    4   30 o   30.118   0.9270  121.951   7.4986  127.295   11.400  117.874   9.9556   30.751   1.3802   29.598   1.2523 1.153667 1.863671 
1 1 1   19    4   31 o   68.405   0.8261  628.997   15.178  628.077   22.076  629.822   20.901   68.319   1.2031   68.421   1.1373 -0.1021194 1.655568 
1 1 1   19    4   32 o   64.679   0.8287  562.399   14.396  556.293   21.182  567.640   19.625   64.286   1.2268   64.950   1.1250 -0.6643143 1.664502 
1 1 1   19    4   33 o   36.266   0.9740  176.916   9.4874  170.127   14.011  182.665   12.893   35.527   1.4683   36.827   1.3035 -1.300114 1.963369 
1 1 1   19    4   34 o   28.702   0.9076  110.802   6.9971  106.382   9.5582  115.907   10.271   28.104   1.2663   29.332   1.3037 -1.228489 1.817438 
1 1 1   19    4   35 o   72.303   0.8616  703.087   16.732  699.339   22.292  707.923   25.323   72.068   1.1516   72.483   1.3007 -0.4147034 1.737275 
1 1 1   19    4   36 o   11.351   2.0814   17.996   6.1118   18.688   8.1846   17.125   9.1891   11.483   2.6992   11.013   3.0174 0.4707041 4.048458 
1 1 1   19    4   37 o   60.766   0.8921  496.760   14.560  477.537   20.224  517.445   20.979   59.526   1.2649   61.964   1.2606 -2.438229 1.785798 
1 1 1   19    4   38 o   47.333   0.8053  301.334   10.238  310.247   14.216  291.730   14.757   47.996   1.1027   46.532   1.1807 1.464005 1.615583 
1 1 1   19    4   39 o   40.996   0.8310  226.097   9.1505  225.618   12.556  226.641   13.364   40.922   1.1423   41.006   1.2134 -0.8410645E-01 1.666477 
1 1 1   19    4   40 o   9.7451   2.4193   13.458   6.3029   5.6447   8.8501   21.499   8.9786   7.7843   2.9983   12.290   2.7845 -4.505354 4.091857 
1 1 1   19    4   41 o   6.8252   2.4708   5.3135   5.8259   4.1682   7.7323   6.8175   8.8608   7.0910   2.7824   8.0618   3.0243 -0.9707522 4.109540 
1 1 1   19    4   42 o   31.318   1.0632  132.193   8.9437  128.347   12.149  136.744   13.215   30.809   1.4681   31.789   1.5478 -0.9797440 2.133299 
1 1 1   19    4   43 o   44.438   0.9202  265.966   10.984  277.854   14.433  249.608   16.931   45.378   1.1842   42.955   1.4675 2.422897 1.885680 
1 1 1   19    4   44 o   56.524   0.9760  430.530   14.817  424.877   18.844  439.687   23.982   56.091   1.2508   56.970   1.5673 -0.8792763 2.005222 
1 1 1   19    4   45 o   24.883   1.2975   83.884   8.6415   69.753   12.546   96.639   11.920   22.517   2.0987   26.638   1.6745 -4.121357 2.684872 
1 1 1   19    4   46 o   25.653   1.1693   88.826   8.0567   82.871   11.354   94.866   11.435   24.647   1.7259   26.402   1.6203 -1.754620 2.367347 
1 1 1   19    4   47 o   23.709   1.2289   76.120   7.7986   68.748   10.653   84.633   11.448   22.422   1.7836   24.907   1.7219 -2.484301 2.479091 
1 1 1   19    4   48 o   11.724   2.4225   19.553   7.3758   9.4737   9.3156   36.490   12.075   8.7887   3.1312   15.985   2.9202 -7.196092 4.281550 
1 1 1   19    4   49 o   18.898   1.6101   48.852   8.0948   59.650   10.428   32.476   12.841   20.831   1.8841   14.930   3.2908 5.901093 3.792030 
1 1 1   19    4   50 o   14.356   2.1662   28.911   8.0925   27.591   9.8892   31.588   14.079   13.850   2.7554   14.592   3.6117 -0.7424803 4.542739 
1 1 1   19    4   51 o   24.926   1.5606   84.944   10.395   70.887   15.196   97.306   14.251   22.416   2.5705   26.533   2.0148 -4.117046 3.266026 
1 1 1   19    4   52 o   27.159   1.3800  100.597   10.034  102.209   13.822   98.801   14.588   27.191   1.9046   26.670   2.0522 0.5203648 2.799870 
1 1 1   19    4   53 o   9.9704   3.0106   14.550   8.7400   13.332   12.250   15.812   12.473   9.9704   3.5866   10.554   3.6334 -0.5837955 5.105412 
1 1 1   19    4   54 o   15.312   2.2260   33.488   8.8864   41.003   12.652   26.170   12.485   16.638   2.9386   13.016   3.4967 3.622023 4.567540 
1 1 1   19    4   55 o   10.763   3.5243   17.575   11.746 -45.2700   29.784   29.151   12.782   8.0410   3.9536   13.645   3.4776 -5.603656 5.265462 
1 1 1   19    5  -52 o   23.522   3.2775   81.557   20.144   0.0000   0.0000   81.557   20.144  ?   ?    23.522   3.2775 0.000000 3.277464 
1 1 1   19    5  -51 f   23.142   3.3182   78.353   20.034   0.0000   0.0000   78.353   20.034  ?   ?    23.142   3.3182 0.000000 3.318188 
1 1 1   19    5  -50 o   26.028   1.9786   93.503   13.728   87.532   20.287   98.547   18.646   24.689   3.1296   26.444   2.6614 -1.755384 4.108278 
1 1 1   19    5  -49 o   54.954   1.3372  409.140   19.737  415.105   28.052  403.293   27.776   55.112   1.8951   54.318   1.9039 0.7941971 2.686259 
1 1 1   19    5  -48 o   29.221   1.3840  115.637   10.862  112.089   15.161  119.379   15.570   28.578   1.9876   29.500   1.9765 -0.9222355 2.803016 
1 1 1   19    5  -47 o   29.077   1.3711  114.404   10.708  111.012   15.226  117.723   15.061   28.454   2.0051   29.329   1.9226 -0.8752632 2.777898 
1 1 1   19    5  -46 o   38.837   1.3692  204.024   14.282  204.540   17.516  203.000   24.669   38.816   1.6801   38.384   2.4050 0.4320450 2.933714 
1 1 1   19    5  -45 o   20.017   1.8354   54.935   9.7579   57.380   13.768   52.467   13.832   20.263   2.5889   19.317   2.7429 0.9463482 3.771723 
1 1 1   19    5  -44 o   25.858   1.7082   91.157   11.797  114.090   21.162   80.817   14.210   28.611   2.7892   24.217   2.2089 4.394053 3.557963 
1 1 1   19    5  -43 o   11.315   3.1727   18.340   10.032   29.082   16.802   12.391   12.505   14.121   4.1533   10.071   3.6235 4.050003 5.511773 
1 1 1   19    5  -42 o   32.558   1.2189  143.088   10.659  152.202   15.032  133.871   15.117   33.505   1.6704   31.348   1.8030 2.156919 2.457895 
1 1 1   19    5  -41 o   13.666   2.6138   26.438   9.2445   29.055   11.379   21.356   15.854   14.239   3.0661   12.455   4.0951 1.783961 5.115786 
1 1 1   19    5  -40 o   22.599   1.5535   69.391   9.3720   70.180   12.940   68.521   13.592   22.607   2.1573   22.302   2.3021 0.3050213 3.154938 
1 1 1   19    5  -39 f   28.871   1.2999  112.457   10.080  109.111   14.122  115.933   14.393   28.310   1.8677   29.190   1.8453 -0.8799210 2.625570 
1 1 1   19    5  -38 o   17.752   2.0401   43.309   9.5503   35.698   11.911   57.015   15.983   15.904   2.8950   20.160   3.0467 -4.256379 4.202765 
1 1 1   19    5  -37 o   31.216   1.3095  131.397   10.979  139.242   14.978  122.287   16.141   32.037   1.7472   29.966   2.0172 2.071657 2.668646 
1 1 1   19    5  -36 o   7.7045   3.0024   5.1058   8.9552   5.4093   10.619   4.3584   16.664   8.2402   3.2520   9.6127   3.9714 -1.372474 5.132972 
1 1 1   19    5  -35 o   30.480   1.4139  125.298   11.575  141.939   20.187  117.146   14.129   32.238   2.3475   29.379   1.7992 2.858955 2.957645 
1 1 1   19    5  -34 o   56.652   1.0036  431.903   15.271  431.001   21.453  432.829   21.744   56.537   1.4127   56.654   1.4290 -0.1171112 2.009424 
1 1 1   19    5  -33 o   33.745   1.1142  153.287   10.099  148.687   14.297  157.868   14.268   33.193   1.6036   34.208   1.5529 -1.014584 2.232262 
1 1 1   19    5  -32 o   33.925   1.2734  155.002   11.603  136.197   19.353  165.556   14.499   31.620   2.2944   35.038   1.5406 -3.418392 2.763600 
1 1 1   19    5  -31 o   36.875   1.2335  183.055   12.217  176.393   14.932  196.546   21.250   36.174   1.5368   38.069   2.0862 -1.894764 2.591126 
1 1 1   19    5  -30 o   83.430   1.0686  936.307   23.946  938.907   33.937  933.729   33.794   83.477   1.5136   83.247   1.5114 0.2301178 2.138990 
1 1 1   19    5  -29 o   44.471   0.9959  265.930   11.896  273.654   16.959  258.448   16.691   45.084   1.4005   43.812   1.4184 1.271950 1.993262 
1 1 1   19    5  -28 o   12.219   2.3212   20.837   7.3392   22.745   10.063   18.669   10.728   12.696   2.9986   11.573   3.2936 1.123490 4.454167 
1 1 1   19    5  -27 o   19.317   1.4875   50.529   7.6584   60.423   11.022   41.293   10.649   21.077   1.9698   17.329   2.3484 3.748055 3.065192 
1 1 1   19    5  -26 o   51.450   0.9543  355.812   13.188  373.836   18.996  339.043   18.323   52.714   1.3417   50.200   1.3590 2.514030 1.909696 
1 1 1   19    5  -25 o   31.944   1.0682  137.178   9.1650  132.393   12.771  142.259   13.160   31.365   1.5160   32.513   1.5070 -1.148079 2.137576 
1 1 1   19    5  -24 o   54.019   0.9449  392.185   13.710  389.549   19.118  394.977   19.672   53.817   1.3226   54.189   1.3516 -0.3718071 1.891018 
1 1 1   19    5  -23 o   78.672   1.0255  831.906   21.670  826.448   30.581  837.410   30.711   78.380   1.4526   78.898   1.4492 -0.5183945 2.051943 
1 1 1   19    5  -22 o   74.043   1.4242  737.408   28.324  716.663   39.339  759.737   40.813   72.937   2.0081   75.095   2.0235 -2.158073 2.850791 
1 1 1   19    5  -21 o   58.652   1.0919  462.381   17.201  453.466   20.911  481.034   30.247   58.070   1.3407   59.771   1.8841 -1.700886 2.312409 
1 1 1   19    5  -20 o   25.977   1.1802   90.712   8.2349   78.331   11.371  104.369   11.942   24.060   1.7720   27.807   1.6058 -3.746639 2.391348 
1 1 1   19    5  -19 o   81.189   1.0338  885.841   22.544  868.054   31.628  904.208   32.141   80.342   1.4657   81.999   1.4594 -1.656494 2.068330 
1 1 1   19    5  -18 o   78.549   1.0162  829.102   21.439  829.794   30.225  828.401   30.414   78.557   1.4325   78.491   1.4427 0.6660461E-01 2.033029 
1 1 1   19    5  -17 o   62.327   1.0151  521.984   16.994  515.690   22.140  531.009   26.512   61.937   1.3309   62.838   1.5708 -0.9010735 2.058821 
1 1 1   19    5  -16 o   90.170   1.2447  1092.78   30.145  1081.92   36.827  1114.85   52.477   89.702   1.5285   91.004   2.1469 -1.301872 2.635462 
1 1 1   19    5  -15 f   80.454   1.0201  869.714   22.044  853.352   30.890  886.691   31.466   79.674   1.4435   81.215   1.4425 -1.541534 2.040698 
1 1 1   19    5  -14 o   65.003   0.9058  567.665   15.815  557.123   21.284  580.658   23.631   64.387   1.2307   65.729   1.3385 -1.341835 1.818365 
1 1 1   19    5  -13 o   93.857   0.9590  1183.49   24.176  1180.29   37.880  1185.68   31.403   93.704   1.5051   93.932   1.2447 -0.2278214 1.953108 
1 1 1   19    5  -12 o  148.664   1.2363  2969.83   49.364  2990.51   70.079  2949.47   69.547  149.136   1.7495  148.109   1.7483 1.026932 2.473292 
1 1 1   19    5  -11 o  162.725   1.3342  3558.42   58.314  3598.55   83.002  3519.31   81.946  163.586   1.8891  161.775   1.8859 1.810852 2.669333 
1 1 1   19    5  -10 f  120.401   1.0456  1947.55   33.814  1952.40   47.864  1942.71   47.777  120.528   1.4785  120.228   1.4795 0.2994766 2.091661 
1 1 1   19    5   -9 o  122.066   1.1052  2001.83   36.233  2021.20   54.141  1986.11   48.763  122.624   1.6438  121.565   1.4935 1.059601 2.220938 
1 1 1   19    5   -8 o   47.016   0.8432  296.928   10.647  304.083   14.400  288.297   15.815   47.575   1.1269   46.321   1.2711 1.253948 1.698744 
1 1 1   19    5   -7 o   57.447   0.7512  443.269   11.591  455.129   17.342  433.694   15.583   58.204   1.1093   56.819   1.0211 1.385471 1.507700 
1 1 1   19    5   -6 o   41.870   0.7879  235.481   8.8611  229.147   14.200  239.520   11.340   41.297   1.2802   42.225   0.9998 -0.9284325 1.624411 
1 1 1   19    5   -5 o  115.872   1.0610  1803.70   33.021  1828.05   45.116  1775.61   48.460  116.635   1.4401  114.944   1.5697 1.691528 2.130229 
1 1 1   19    5   -4 o  147.811   1.2872  2935.51   51.101  2980.54   76.528  2899.28   68.649  148.898   1.9136  146.867   1.7403 2.030487 2.586553 
1 1 1   19    5   -3 o  118.311   1.1322  1880.48   35.979  1882.86   50.950  1878.12   50.815  118.364   1.6026  118.215   1.6004 0.1489182 2.264883 
1 1 1   19    5   -2 o   69.993   0.8404  658.052   15.799  650.046   25.057  663.335   20.355   69.556   1.3412   70.269   1.0785 -0.7136154 1.721071 
1 1 1   19    5   -1 o   70.672   0.9428  670.913   17.896  695.592   30.358  657.769   22.155   71.944   1.5710   69.972   1.1789 1.972832 1.964134 
1 1 1   19    5    0 o  188.517   1.5878  4776.04   80.394  4865.23  120.608  4704.72  107.849  190.189   2.3610  187.050   2.1467 3.138458 3.191017 
1 1 1   19    5    1 o  122.983   1.0648  2031.85   35.171  1987.66   49.147  2078.23   50.354  121.620   1.5045  124.359   1.5075 -2.739761 2.129852 
1 1 1   19    5    2 o   68.557   0.8411  631.328   15.488  630.951   22.069  631.695   21.740   68.530   1.1990   68.571   1.1804 -0.4079437E-01 1.682526 
1 1 1   19    5    3 o   87.814   0.8511  1035.81   20.075  1085.23   29.019  990.457   27.800   89.875   1.2021   85.861   1.2055 4.014008 1.702426 
1 1 1   19    5    4 o   23.977   0.9261   77.227   5.9645   83.124   8.6241   71.820   8.2578   24.839   1.2972   23.081   1.3378 1.758200 1.863415 
1 1 1   19    5    5 o  101.465   0.9730  1382.99   26.516  1377.44   39.317  1387.62   35.912  101.245   1.4458  101.624   1.3157 -0.3788681 1.954854 
1 1 1   19    5    6 o  222.487   1.9367  6655.19  115.732  6653.29  163.615  6657.09  163.725  222.329   2.7399  222.393   2.7410 -0.6341553E-01 3.875558 
1 1 1   19    5    7 o   70.661   0.7731  670.668   14.673  681.744   20.972  660.049   20.536   71.236   1.0961   70.093   1.0908 1.142471 1.546360 
1 1 1   19    5    8 o  148.786   1.2402  2974.40   49.561  3022.66   70.722  2927.83   69.473  149.951   1.7560  147.580   1.7527 2.370682 2.480968 
1 1 1   19    5    9 o   98.255   1.0003  1296.92   26.399  1279.58   36.975  1314.95   37.702   97.579   1.4108   98.918   1.4191 -1.339142 2.000996 
1 1 1   19    5   10 f   62.134   0.7468  518.566   12.463  517.464   17.573  519.682   17.678   62.062   1.0542   62.195   1.0582 -0.1327477 1.493759 
1 1 1   19    5   11 o   38.668   0.8458  200.859   8.7849  192.313   11.595  212.373   13.460   37.833   1.1411   39.755   1.2605 -1.922035 1.700294 
1 1 1   19    5   12 o   30.613   0.8583  125.890   7.0569  123.752   9.3010  128.790   10.833   30.348   1.1410   30.957   1.3029 -0.6091843 1.731900 
1 1 1   19    5   13 o  138.741   1.2260  2586.69   45.687  2612.91   62.193  2555.95   67.337  139.406   1.6610  137.862   1.8185 1.543549 2.462897 
1 1 1   19    5   14 o   70.748   0.8114  672.382   15.419  670.146   20.795  675.113   22.981   70.622   1.0963   70.879   1.2072 -0.2571716 1.630672 
1 1 1   19    5   15 f   48.558   0.7808  316.749   10.184  314.141   13.248  320.516   15.921   48.353   1.0201   48.836   1.2138 -0.4830513 1.585508 
1 1 1   19    5   16 o   45.758   0.7573  281.271   9.3069  276.870   12.443  286.861   14.022   45.393   1.0205   46.202   1.1300 -0.8089066 1.522609 
1 1 1   19    5   17 o  122.430   1.1146  2014.35   36.651  2038.98   49.893  1985.48   54.016  123.141   1.5085  121.499   1.6552 1.641937 2.239515 
1 1 1   19    5   18 o   69.279   0.8108  644.820   15.088  632.507   20.209  660.328   22.679   68.603   1.0967   70.091   1.2047 -1.487282 1.629121 
1 1 1   19    5   19 o   51.089   0.7599  350.657   10.427  356.306   14.150  343.944   15.424   51.491   1.0232   50.586   1.1352 0.9050484 1.528237 
1 1 1   19    5   20 o   61.600   0.8660  509.863   14.328  500.173   19.038  522.518   21.758   61.000   1.1620   62.340   1.2994 -1.340446 1.743211 
1 1 1   19    5   21 o   91.501   0.8866  1125.02   21.790  1141.50   30.853  1108.62   30.777   92.143   1.2467   90.804   1.2619 1.338058 1.773865 
1 1 1   19    5   22 o   49.539   0.7395  329.717   9.8398  341.037   13.854  318.192   13.978   50.372   1.0240   48.654   1.0696 1.718193 1.480758 
1 1 1   19    5   23 o   7.3972   2.2969   7.3322   5.0421   4.4426   6.7470   10.987   7.5880   6.8977   2.6273   9.0503   2.8189 -2.152588 3.853436 
1 1 1   19    5   24 o   95.899   1.0062  1236.16   25.918  1211.32   36.235  1262.17   37.087   94.890   1.4217   96.861   1.4256 -1.970863 2.013335 
1 1 1   19    5   25 o   9.8205   2.2204   13.527   5.7193   19.195   8.0973   7.8844   8.0793   11.688   2.6414   8.2180   2.9173 3.470340 3.935433 
1 1 1   19    5   26 o   54.076   0.8206  392.978   11.919  382.428   18.371  400.645   15.662   53.320   1.2828   54.589   1.0682 -1.268726 1.669320 
1 1 1   19    5   27 o   79.072   0.8660  840.340   18.392  843.290   27.006  837.789   25.116   79.174   1.2700   78.924   1.1848 0.2498703 1.736824 
1 1 1   19    5   28 o   33.432   0.8264  150.224   7.4207  155.848   10.279  144.103   10.724   34.041   1.1243   32.729   1.2199 1.312077 1.658950 
1 1 1   19    5   29 o   39.831   0.8256  213.253   8.8324  206.719   12.800  219.191   12.203   39.196   1.2159   40.367   1.1255 -1.170593 1.656814 
1 1 1   19    5   30 o   15.656   1.4463   33.297   6.0131   28.870   8.6800   37.382   8.3380   14.430   2.3181   16.532   1.9131 -2.102354 3.005615 
1 1 1   19    5   31 o   59.416   0.8122  474.602   12.962  480.030   19.173  470.031   17.592   59.719   1.1953   59.103   1.1082 0.6158333 1.630001 
1 1 1   19    5   32 o   48.240   0.9125  312.978   11.823  312.409   15.405  313.793   18.441   48.172   1.1906   48.253   1.4228 -0.8118439E-01 1.855289 
1 1 1   19    5   33 o   28.164   0.9823  106.719   7.4310  106.568   9.5760  106.948   11.782   28.127   1.2676   28.112   1.5666 0.1536179E-01 2.015181 
1 1 1   19    5   34 o   29.455   1.0114  116.755   8.0016  101.066   10.804  135.816   11.909   27.333   1.4771   31.738   1.3970 -4.405411 2.033068 
1 1 1   19    5   35 o   57.101   0.9842  438.782   15.095  430.153   23.811  444.580   19.518   56.446   1.5706   57.438   1.2652 -0.9918060 2.016748 
1 1 1   19    5   36 o   79.680   0.8653  854.060   18.519  844.570   25.897  863.991   26.492   79.171   1.2178   80.073   1.2318 -0.9020309 1.732182 
1 1 1   19    5   37 o   10.703   2.0646   16.053   5.7200   20.277   7.6744   10.773   8.5797   11.989   2.4656   9.0770   3.0139 2.911941 3.893924 
1 1 1   19    5   38 o   40.692   0.8250  222.749   9.0170  210.755   12.373  236.336   13.168   39.547   1.1648   41.878   1.1707 -2.330566 1.651487 
1 1 1   19    5   39 f   22.077   1.1280   65.849   6.6664   70.255   9.0415   60.601   9.8683   22.756   1.4875   21.083   1.7587 1.673159 2.303394 
1 1 1   19    5   40 o   4.5118   2.0758  -4.3210   5.7872  -1.7038   7.7497  -7.6207   8.7015   5.8617   2.5701   5.3676   2.4960 0.4940863 3.582593 
1 1 1   19    5   41 o   72.629   0.9479  710.457   18.490  712.219   25.900  708.625   26.406   72.619   1.3279   72.426   1.3574 0.1926422 1.898901 
1 1 1   19    5   42 o   31.473   0.9689  133.456   8.1902  134.541   11.205  132.210   12.001   31.557   1.3220   31.267   1.4291 0.2903595 1.946762 
1 1 1   19    5   43 o   18.656   1.4881   47.409   7.3947   45.933   10.589   48.814   10.332   18.208   2.2105   18.809   2.0798 -0.6017895 3.035134 
1 1 1   19    5   44 o   35.532   1.0334  170.227   9.8622  180.988   13.290  157.036   14.713   36.586   1.3524   34.031   1.6096 2.554817 2.102366 
1 1 1   19    5   45 o   16.214   1.8851   36.243   8.0567   35.756   9.5593   37.438   14.969   16.007   2.2885   16.025   3.5694 -0.1769066E-01 4.240009 
1 1 1   19    5   46 o   9.9463   2.5845   14.128   6.9675   16.436   9.1068   10.870   10.820   10.724   3.0285   9.4203   3.3727 1.303685 4.532864 
1 1 1   19    5   47 o   32.628   1.0834  143.647   9.4946  149.811   12.136  133.923   15.243   33.276   1.3579   31.319   1.8199 1.956726 2.270690 
1 1 1   19    5   48 o   17.074   1.9727   40.316   8.8798   48.781   11.446   27.521   14.073   18.704   2.3289   13.672   3.7291 5.032220 4.396549 
1 1 1   19    5   49 o   12.789   2.4686   23.326   8.1724   31.663   11.096   13.443   12.082   14.824   2.8907   10.158   3.5714 4.665622 4.594725 
1 1 1   19    5   50 o   64.563   0.9853  562.886   17.085  572.018   22.863  551.337   25.712   64.947   1.3106   63.665   1.5036 1.282246 1.994650 
1 1 1   19    5   51 f   20.496   1.6720   57.823   9.1246   42.893   12.498   74.863   13.352   17.244   2.7940   23.158   2.1720 -5.914137 3.538958 
1 1 1   19    5   52 o   22.112   1.6918   67.472   9.9712   69.294   14.920   66.001   13.404   22.037   2.5689   21.605   2.3477 0.4320965 3.480114 
1 1 1   19    5   53 o   11.899   3.0797   21.351   9.9190   63.649   17.581   1.6009   12.014   20.625   3.2838   7.6535   3.2774 12.97105 4.639482 
1 1 1   19    5   54 o   21.640   2.1812   66.489   12.505   89.670   28.045   60.737   13.971   23.182   4.6656   20.444   2.6033 2.737803 5.342768 
1 1 1   19    6  -52 o   22.694   4.6405   83.800   27.332   0.0000   0.0000   83.800   27.332  ?   ?    22.694   4.6405 0.000000 4.640529 
1 1 1   19    6  -51 o   24.577   3.0241   87.711   19.542   0.0000   0.0000   87.711   19.542  ?   ?    24.577   3.0241 0.000000 3.024140 
1 1 1   19    6  -50 o   14.409   4.3048   32.054   17.939   0.0000   0.0000   32.054   17.939  ?   ?    14.409   4.3048 0.000000 4.304803 
1 1 1   19    6  -49 o   29.217   1.7442  116.983   13.625  118.131   19.611  115.912   18.944   29.041   2.5397   28.795   2.4734 0.2455254 3.545100 
1 1 1   19    6  -48 o   9.8617   3.4883   12.485   11.541   12.444   16.007   12.530   16.656   10.578   4.0426   10.700   4.1155 -0.1217356 5.768829 
1 1 1   19    6  -47 o   26.783   1.4574   97.517   10.445   99.361   14.850   95.712   14.695   26.872   2.0735   26.366   2.0922 0.5065670 2.945647 
1 1 1   19    6  -46 o   14.606   2.4346   30.072   9.2151   24.966   12.359   36.463   13.828   13.083   3.4630   15.846   3.3536 -2.763106 4.820730 
1 1 1   19    6  -45 o   27.733   1.5639  104.599   11.602  113.238   14.988   91.686   18.324   28.760   1.9518   25.635   2.7020 3.125641 3.333270 
1 1 1   19    6  -44 o   49.981   1.0942  337.043   14.689  349.399   20.971  325.141   20.581   50.774   1.5377   48.972   1.5647 1.802166 2.193828 
1 1 1   19    6  -43 o   44.730   1.3586  270.585   16.322  287.000   33.290  265.390   18.727   45.508   2.7363   44.245   1.5758 1.263191 3.157607 
1 1 1   19    6  -42 o   26.786   1.5543   97.532   11.134  106.735   18.271   92.095   14.043   27.777   2.4749   25.914   2.0339 1.863195 3.203388 
1 1 1   19    6  -41 o   14.130   2.3013   27.973   8.4331   43.420   11.690   11.210   12.177   17.614   2.5448   9.7632   3.5664 7.850390 4.381229 
1 1 1   19    6  -40 o   15.161   2.3894   32.161   9.4077   30.180   11.789   35.634   15.611   14.502   3.1192   15.635   3.7628 -1.133484 4.887529 
1 1 1   19    6  -39 o   28.399   1.3093  108.863   9.9871  111.022   13.760  106.460   14.518   28.559   1.8032   27.932   1.9473 0.6268444 2.653968 
1 1 1   19    6  -38 o   6.9482   2.7897   3.2477   7.9471  -1.5004   11.042   8.3503   11.447   7.1129   3.0943   9.0384   3.4270 -1.925454 4.617278 
1 1 1   19    6  -37 o   13.360   2.6001   25.190   8.9947   15.757   11.300   41.499   14.859   10.765   3.4513   17.055   3.3632 -6.289963 4.819015 
1 1 1   19    6  -36 o   14.953   2.2851   31.079   8.8864   35.322   11.909   25.750   13.348   15.820   2.9100   13.408   3.6213 2.412461 4.645623 
1 1 1   19    6  -35 f   36.774   1.4913  182.546   14.730  211.537   19.656  145.406   22.248   39.532   1.8512   32.563   2.5645 6.969799 3.162858 
1 1 1   19    6  -34 o   27.321   1.4634  100.998   10.700   99.448   18.169  101.821   13.239   26.907   2.5443   27.378   1.8106 -0.4713287 3.122768 
1 1 1   19    6  -33 o   39.309   1.0517  207.991   11.104  199.823   15.616  216.344   15.792   38.482   1.5108   40.047   1.4682 -1.564522 2.106692 
1 1 1   19    6  -32 o   23.819   1.3568   76.709   8.6444   79.126   12.195   74.267   12.255   24.115   1.8981   23.346   1.9729 0.7692242 2.737705 
1 1 1   19    6  -31 o   18.874   1.9337   48.657   9.6645   57.267   16.647   44.280   11.869   20.238   3.1663   17.882   2.5430 2.356756 4.061065 
1 1 1   19    6  -30 o   29.611   1.3488  118.108   10.728  122.872   13.236  108.987   18.314   30.136   1.6414   28.247   2.4378 1.889496 2.938859 
1 1 1   19    6  -29 o   25.183   1.2412   85.363   8.3952  108.487   12.311   65.262   11.478   28.320   1.6253   21.893   1.9732 6.426779 2.556344 
1 1 1   19    6  -28 o   47.962   0.9779  309.326   12.597  315.701   17.758  302.868   17.873   48.424   1.3653   47.426   1.4031 0.9977684 1.957777 
1 1 1   19    6  -27 o   26.379   1.2047   93.619   8.5358  101.766   12.165   85.718   11.980   27.432   1.6589   25.152   1.7849 2.279379 2.436756 
1 1 1   19    6  -26 o   12.250   2.2144   20.882   7.0179   16.568   9.7919   25.438   10.063   10.929   3.1580   13.449   2.8731 -2.519581 4.269402 
1 1 1   19    6  -25 o   56.631   0.9584  431.107   14.578  426.164   20.405  436.260   20.835   56.279   1.3499   56.941   1.3623 -0.6617241 1.917859 
1 1 1   19    6  -24 o   79.960   1.0386  859.541   22.305  863.303   31.582  855.798   31.505   80.093   1.4681   79.744   1.4709 0.3492279 2.078196 
1 1 1   19    6  -23 o  112.874   1.2507  1713.45   37.918  1701.15   53.413  1725.95   53.839  112.388   1.7694  113.204   1.7707 -0.8160782 2.503251 
1 1 1   19    6  -22 o   52.363   0.9409  368.505   13.233  386.215   18.914  351.523   18.521   53.587   1.3141   51.122   1.3489 2.465408 1.883163 
1 1 1   19    6  -21 o  112.352   1.4393  1698.11   43.433  1626.66   73.378  1736.65   53.886  109.777   2.4886  113.571   1.7665 -3.793663 3.051877 
1 1 1   19    6  -20 o   93.514   1.2878  1175.93   32.347  1170.83   39.481  1186.36   56.417   93.281   1.5758   93.805   2.2392 -0.5238190 2.738071 
1 1 1   19    6  -19 o   76.006   1.1632  776.597   23.746  774.045   28.973  781.817   41.444   75.862   1.4219   76.184   2.0254 -0.3211594 2.474662 
1 1 1   19    6  -18 f   46.967   0.9295  296.427   11.726  296.131   16.496  296.729   16.670   46.930   1.3087   46.977   1.3212 -0.4681396E-01 1.859627 
1 1 1   19    6  -17 o   64.200   0.9502  553.839   16.384  552.048   23.083  555.657   23.261   64.077   1.3412   64.286   1.3472 -0.2087784 1.900956 
1 1 1   19    6  -16 o   94.934   1.0425  1211.16   26.583  1235.08   35.747  1181.57   39.760   95.842   1.3886   93.727   1.5794 2.115425 2.103039 
1 1 1   19    6  -15 o   56.555   0.8713  429.732   13.236  420.825   14.894  463.175   28.862   55.962   0.9909   58.671   1.8315 -2.708099 2.082387 
1 1 1   19    6  -14 o  135.470   1.1999  2466.54   43.659  2445.62   58.678  2492.49   65.344  134.851   1.6201  136.116   1.7873 -1.264862 2.412297 
1 1 1   19    6  -13 o   39.335   0.7164  207.844   7.5687  200.832   10.598  215.142   10.813   38.661   1.0206   40.015   1.0061 -1.353962 1.433109 
1 1 1   19    6  -12 o   69.799   0.8208  654.482   15.388  630.554   23.684  671.963   20.243   68.495   1.2874   70.717   1.0658 -2.222153 1.671306 
1 1 1   19    6  -11 o   33.974   0.7715  155.051   7.0398  152.562   10.597  157.016   9.4184   33.694   1.1710   34.185   1.0258 -0.4907379 1.556706 
1 1 1   19    6  -10 o  139.587   1.5370  2619.36   57.627  2574.58  106.372  2637.96   68.559  138.215   2.8654  140.053   1.8226 -1.837860 3.395885 
1 1 1   19    6   -9 o   66.093   0.8217  586.799   14.586  569.992   20.197  605.122   21.088   65.131   1.1545   67.107   1.1700 -1.976563 1.643731 
1 1 1   19    6   -8 o  106.672   0.9996  1528.74   28.640  1532.36   38.938  1524.47   42.272  106.781   1.3577  106.498   1.4778 0.2823334 2.006799 
1 1 1   19    6   -7 o   63.654   0.7781  544.269   13.304  552.771   20.104  537.645   17.745   64.140   1.1670   63.260   1.0444 0.8804054 1.566053 
1 1 1   19    6   -6 o   68.499   0.8337  630.290   15.339  652.966   22.169  609.467   21.244   69.711   1.1840   67.349   1.1744 2.361763 1.667677 
1 1 1   19    6   -5 o   85.016   0.9208  970.956   21.026  1004.58   34.081  950.293   26.716   86.456   1.4677   84.099   1.1828 2.357224 1.884934 
1 1 1   19    6   -4 o  150.151   1.3685  3029.71   55.192  3049.69   78.446  3010.12   77.667  150.595   1.9394  149.616   1.9327 0.9796753 2.737998 
1 1 1   19    6   -3 o   52.613   0.8907  371.846   12.587  360.327   18.049  382.754   17.563   51.784   1.2977   53.372   1.2252 -1.588894 1.784675 
1 1 1   19    6   -2 o  124.027   1.1750  2066.80   39.143  2071.18   62.130  2063.93   50.405  124.114   1.8637  123.922   1.5144 0.1926117 2.401435 
1 1 1   19    6   -1 o   25.521   0.9888   87.496   6.7778   99.736   12.026   81.799   8.2050   27.189   1.6547   24.642   1.2437 2.546904 2.069974 
1 1 1   19    6    0 o   60.790   0.8504  496.398   13.884  513.551   24.932  488.687   16.716   61.815   1.5017   60.312   1.0319 1.502953 1.822029 
1 1 1   19    6    1 o   95.345   0.9834  1221.22   25.184  1273.05   40.923  1189.64   31.951   97.322   1.5655   94.093   1.2642 3.228951 2.012267 
1 1 1   19    6    2 o  115.812   1.0664  1801.91   33.171  1818.80   49.580  1788.23   44.630  116.326   1.5869  115.353   1.4405 0.9729233 2.143162 
1 1 1   19    6    3 o   20.744   1.0663   57.963   5.9210   48.740   9.1230   64.676   7.7828   18.953   1.8143   21.898   1.3295 -2.944916 2.249257 
1 1 1   19    6    4 o   76.888   0.8355  794.112   17.255  809.436   25.891  781.867   23.144   77.615   1.2420   76.285   1.1296 1.329628 1.678822 
1 1 1   19    6    5 o   69.592   0.8476  650.572   15.843  650.579   22.571  650.565   22.244   69.583   1.2077   69.583   1.1902 0.2746582E-03 1.695617 
1 1 1   19    6    6 o   19.470   1.1274   51.105   5.8707   59.897   9.0515   44.720   7.7131   21.047   1.6134   18.170   1.5967 2.877172 2.269921 
1 1 1   19    6    7 o   62.323   0.7422  521.728   12.425  530.464   17.677  513.198   17.467   62.836   1.0474   61.805   1.0522 1.031189 1.484660 
1 1 1   19    6    8 o   13.062   1.4454   23.212   4.9859   15.712   7.0983   30.515   7.0048   10.592   2.5299   14.960   1.7782 -4.368002 3.092306 
1 1 1   19    6    9 o   40.008   0.7386  215.005   7.9365  216.078   11.256  213.945   11.192   40.103   1.0450   39.905   1.0442 0.1984138 1.477313 
1 1 1   19    6   10 o   83.114   1.0077  928.101   22.495  924.608   31.697  931.644   31.929   82.939   1.4229   83.254   1.4279 -0.3147049 2.015772 
1 1 1   19    6   11 o  105.839   1.0005  1505.06   28.442  1517.23   38.758  1490.85   41.867  106.246   1.3582  105.310   1.4802 0.9360199 2.008868 
1 1 1   19    6   12 o   95.817   0.9452  1233.49   24.324  1236.38   32.894  1230.00   36.133   95.912   1.2769   95.656   1.4064 0.2559052 1.899552 
1 1 1   19    6   13 o   80.441   0.8923  869.342   19.278  866.616   24.953  873.378   30.363   80.303   1.1569   80.603   1.4025 -0.2997742 1.818095 
1 1 1   19    6   14 o   13.103   1.5280   23.400   5.2767   22.029   7.0191   25.182   8.0020   12.617   2.1482   13.489   2.2906 -0.8714190 3.140342 
1 1 1   19    6   15 o   76.523   0.8423  786.718   17.311  790.440   23.411  782.228   25.714   76.690   1.1365   76.285   1.2550 0.4056702 1.693154 
1 1 1   19    6   16 o   82.869   0.8721  922.687   19.411  910.282   26.024  938.243   29.142   82.295   1.1774   83.541   1.2988 -1.246643 1.753002 
1 1 1   19    6   17 o  134.329   1.1987  2425.58   43.250  2449.41   58.781  2397.45   63.863  134.935   1.6219  133.472   1.7814 1.462479 2.409153 
1 1 1   19    6   18 f   21.026   1.0498   59.418   5.9288   60.199   7.9484   58.438   8.9016   21.110   1.4099   20.779   1.6074 0.3309784 2.138158 
1 1 1   19    6   19 o   55.039   0.8603  407.040   12.718  396.776   16.865  420.574   19.366   54.328   1.1558   55.927   1.2892 -1.598824 1.731401 
1 1 1   19    6   20 o   49.262   0.7651  326.057   10.123  338.953   13.775  310.916   14.926   50.218   1.0213   48.091   1.1556 2.127247 1.542189 
1 1 1   19    6   21 o   44.188   0.8112  262.371   9.6276  271.421   13.640  253.385   13.591   44.933   1.1302   43.413   1.1656 1.520054 1.623564 
1 1 1   19    6   22 o   34.051   0.9025  155.819   8.2541  157.051   11.846  154.657   11.507   34.172   1.2906   33.912   1.2634 0.2603493 1.806057 
1 1 1   19    6   23 o   14.153   1.4611   27.238   5.4742   31.136   7.5317   22.872   7.9702   15.084   1.9013   12.811   2.4047 2.272990 3.065530 
1 1 1   19    6   24 o   55.796   0.8394  418.372   12.579  421.108   18.272  415.908   17.343   55.957   1.2158   55.614   1.1610 0.3430061 1.681110 
1 1 1   19    6   25 o   46.774   0.7933  294.012   9.9659  296.424   14.567  291.888   13.664   46.949   1.1552   46.592   1.0919 0.3571587 1.589562 
1 1 1   19    6   26 o   66.146   0.8501  588.055   15.104  584.278   20.817  592.253   21.948   65.908   1.1759   66.352   1.2315 -0.4432907 1.702798 
1 1 1   19    6   27 o   39.295   0.8006  207.529   8.4495  208.165   11.376  206.746   12.620   39.343   1.0765   39.202   1.1985 0.1409760 1.611020 
1 1 1   19    6   28 o   37.464   0.7969  188.648   8.0184  179.802   10.846  199.312   11.908   36.560   1.1045   38.490   1.1518 -1.929695 1.595832 
1 1 1   19    6   29 o   45.100   0.7734  273.407   9.3690  276.688   12.948  269.802   13.573   45.352   1.0630   44.779   1.1285 0.5727386 1.550330 
1 1 1   19    6   30 o   21.452   1.2085   62.149   6.9349   59.974   9.3163   64.852   10.385   21.019   1.6638   21.846   1.7856 -0.8262253 2.440588 
1 1 1   19    6   31 o   54.329   0.9792  397.073   14.289  409.358   20.019  384.315   20.402   55.119   1.3523   53.397   1.4225 1.721973 1.962696 
1 1 1   19    6   32 o   24.223   1.1491   79.001   7.4763   80.302   10.203   77.493   10.987   24.345   1.5687   23.891   1.7237 0.4534321 2.330690 
1 1 1   19    6   33 o   38.696   0.8155  201.373   8.4763  201.152   11.566  201.629   12.458   38.652   1.1141   38.690   1.1989 -0.3798294E-01 1.636618 
1 1 1   19    6   34 o   48.644   0.8313  318.255   10.861  308.125   14.128  332.893   16.983   47.836   1.0996   49.699   1.2722 -1.863045 1.681571 
1 1 1   19    6   35 f   28.862   0.9719  112.114   7.5342  108.935   10.105  116.093   11.305   28.423   1.3237   29.332   1.4350 -0.9086494 1.952247 
1 1 1   19    6   36 o   34.481   0.9164  159.991   8.4870  155.105   12.281  164.457   11.742   33.910   1.3484   34.928   1.2516 -1.017929 1.839779 
1 1 1   19    6   37 o   14.355   1.6727   28.241   6.3281   30.681   8.8953   25.741   9.0042   14.845   2.3057   13.515   2.5746 1.330870 3.456088 
1 1 1   19    6   38 o   26.682   1.0202   95.884   7.3114  102.733   10.007   88.041   10.709   27.589   1.3504   25.469   1.5731 2.119192 2.073232 
1 1 1   19    6   39 o   13.142   1.8299   23.862   6.2840   17.561   8.4115   31.821   9.4532   11.093   2.8176   15.084   2.4148 -3.990417 3.710832 
1 1 1   19    6   40 o   19.277   1.3159   50.415   6.7725   52.472   9.0536   47.800   10.205   19.596   1.7382   18.626   2.0751 0.9700317 2.706948 
1 1 1   19    6   41 o   53.911   0.8780  391.366   12.713  384.156   18.737  397.517   17.307   53.324   1.3082   54.272   1.1873 -0.9478912 1.766625 
1 1 1   19    6   42 o   16.688   1.5512   38.047   6.8734   33.928   9.1919   43.272   10.352   15.596   2.2602   17.657   2.2328 -2.060436 3.177071 
1 1 1   19    6   43 o   7.5720   2.5875   7.3149   6.3225   7.6990   8.3679   6.8039   9.6516   8.1362   2.9588   8.2237   3.1400 -0.8755970E-01 4.314355 
1 1 1   19    6   44 o   46.387   0.8703  289.816   10.843  300.030   15.059  278.821   15.625   47.137   1.1894   45.420   1.2808 1.716370 1.747900 
1 1 1   19    6   45 o   11.476   2.3997   18.729   7.1589   14.787   9.0940   25.151   11.609   10.233   3.0667   13.158   3.2928 -2.924484 4.499677 
1 1 1   19    6   46 o   43.940   0.9829  260.308   11.600  266.009   14.497  250.163   19.339   44.372   1.2164   42.914   1.6778 1.458122 2.072363 
1 1 1   19    6   47 o   27.252   1.1012  100.267   8.0601   99.643   9.8736  101.514   13.955   27.130   1.3550   27.209   1.9218 -0.7913208E-01 2.351485 
1 1 1   19    6   48 o   16.914   1.7410   39.382   7.7965   43.562   9.8441   32.347   12.770   17.702   2.1122   14.869   3.2852 2.832597 3.905587 
1 1 1   19    6   49 o   23.619   1.3033   75.852   8.2357   59.905   10.581  100.364   13.118   20.826   1.9129   27.031   1.8173 -6.205322 2.638583 
1 1 1   19    6   50 o   57.466   1.1839  447.546   18.274  477.568   30.248  430.290   22.932   58.936   1.9108   56.183   1.5197 2.752831 2.441453 
1 1 1   19    6   51 o   16.212   2.4330   37.565   10.267   40.469   15.257   35.162   13.880   16.325   3.5783   15.242   3.4685 1.082567 4.983465 
1 1 1   19    6   52 o   19.251   2.3339   52.762   11.821   47.300   26.599   54.106   13.195   16.550   5.2939   19.369   2.6023 -2.818722 5.898934 
1 1 1   19    6   53 o   9.5149   3.5805   11.669   12.438   8.8800   18.745   13.864   16.626   10.026   4.1827   10.477   4.0887 -0.4511871 5.849121 
1 1 1   19    6   54 o   5.5945   2.7455 -24.6422   14.151 -32.3862   17.783 -11.2700   23.368   6.1200   3.0179   8.6985   4.0600 -2.578420 5.058787 
1 1 1   19    7  -51 o   20.205   3.6399   62.320   19.026   0.0000   0.0000   62.320   19.026  ?   ?    20.205   3.6399 0.000000 3.639871 
1 1 1   19    7  -50 o   7.9294   3.6161  -7.3476   17.052   0.0000   0.0000  -7.3476   17.052  ?   ?    7.9294   3.6161 0.000000 3.616149 
1 1 1   19    7  -49 f   17.092   3.0568   42.624   13.517   41.910   20.801   43.145   17.784   16.309   4.5671   16.779   4.0022 -0.4696598 6.072586 
1 1 1   19    7  -48 o   21.522   2.2031   64.488   12.555   63.937   17.984   65.013   17.536   20.986   3.2994   21.223   3.1739 -0.2362328 4.578181 
1 1 1   19    7  -47 o   21.396   2.1899   63.529   12.408   60.018   17.534   67.050   17.560   20.377   3.3178   21.649   3.1092 -1.271839 4.546952 
1 1 1   19    7  -46 o   16.778   2.1235   39.136   9.3553   52.427   13.454   26.694   13.017   19.290   2.6681   13.481   3.5471 5.809091 4.438578 
1 1 1   19    7  -45 o   15.199   2.3488   32.422   9.2791   35.189   12.587   29.128   13.733   15.627   3.1084   14.087   3.6123 1.540304 4.765584 
1 1 1   19    7  -44 o   20.740   1.8562   59.016   10.231   67.453   13.248   46.551   16.104   22.076   2.2665   17.920   3.4713 4.155651 4.145693 
1 1 1   19    7  -43 f   30.624   1.2979  126.792   10.675  128.659   15.083  124.917   15.112   30.693   1.8380   30.233   1.8702 0.4601917 2.622177 
1 1 1   19    7  -42 o   34.640   1.4942  162.548   13.901  140.200   27.080  170.544   16.199   31.523   3.2448   35.436   1.7019 -3.913095 3.664052 
1 1 1   19    7  -41 o   13.949   2.7299   27.726   9.8619   30.430   15.910   26.039   12.567   14.393   3.9814   13.377   3.4688 1.016850 5.280485 
1 1 1   19    7  -40 o   47.199   1.0794  300.426   13.683  309.367   19.098  290.996   19.614   47.807   1.4873   46.343   1.5758 1.463505 2.166840 
1 1 1   19    7  -39 o   12.762   2.7405   23.235   9.1134   23.938   11.545   22.073   14.844   12.877   3.3177   12.519   3.9495 0.3577547 5.158081 
1 1 1   19    7  -38 o   8.3817   2.8961   8.8376   7.9281   16.891   11.101   0.4540   11.326   11.010   3.4064   7.5053   3.1973 3.504198 4.671845 
1 1 1   19    7  -37 o   8.8100   2.9488   10.118   8.2095  -8.8189   11.097   33.008   12.201   6.1501   2.8455   15.214   3.0912 -9.063469 4.201498 
1 1 1   19    7  -36 o   7.5524   2.9285   5.0974   8.4867  -6.3922   10.405   27.938   14.670   6.1974   2.8257   13.928   3.8108 -7.730774 4.744149 
1 1 1   19    7  -35 o   41.266   1.1410  229.433   12.646  243.908   16.979  211.395   18.953   42.499   1.4874   39.517   1.7857 2.981930 2.324025 
1 1 1   19    7  -34 o   9.9051   3.0382   13.506   8.8528  -0.2001   10.609   44.938   16.065   7.1905   3.0795   17.749   3.4943 -10.55898 4.657601 
1 1 1   19    7  -33 o   14.249   2.4102   28.360   8.8953   42.299   14.959   20.735   11.064   17.252   3.3490   12.082   3.3111 5.170290 4.709465 
1 1 1   19    7  -32 o   29.500   1.1908  117.232   9.4352  114.421   13.225  120.146   13.465   29.049   1.7025   29.771   1.6909 -0.7221165 2.399453 
1 1 1   19    7  -31 o   41.615   1.0356  233.080   11.576  245.474   16.420  220.836   16.321   42.664   1.4329   40.458   1.5019 2.206009 2.075830 
1 1 1   19    7  -30 o   71.121   1.1758  681.071   22.460  695.176   38.615  673.860   27.611   71.675   2.0058   70.694   1.4542 0.9803085 2.477483 
1 1 1   19    7  -29 o   14.047   2.8162   27.793   10.255   23.911   13.745   32.669   15.403   13.026   3.7351   15.118   3.7982 -2.091493 5.327012 
1 1 1   19    7  -28 o   43.538   1.0031  254.978   11.730  272.586   16.685  237.772   16.493   44.984   1.3810   42.006   1.4619 2.978413 2.011001 
1 1 1   19    7  -27 o   35.157   1.0529  166.259   9.9427  161.171   13.908  171.577   14.219   34.587   1.4971   35.687   1.4835 -1.100189 2.107630 
1 1 1   19    7  -26 o   88.043   1.0913  1042.64   25.808  1030.91   36.180  1054.79   36.823   87.479   1.5398   88.484   1.5494 -1.005493 2.184424 
1 1 1   19    7  -25 o   82.752   1.0557  920.873   23.465  881.259   32.539  963.794   33.870   80.897   1.4975   84.602   1.4905 -3.704544 2.112881 
1 1 1   19    7  -24 o   26.229   1.2005   92.540   8.4573   99.873   11.786   84.756   12.143   27.183   1.6217   25.010   1.8202 2.172447 2.437778 
1 1 1   19    7  -23 o   76.503   1.0151  786.828   20.858  777.706   29.212  796.315   29.791   76.018   1.4307   76.920   1.4420 -0.9028015 2.031320 
1 1 1   19    7  -22 o   26.041   1.1916   91.197   8.3348   79.542   11.566  103.791   12.022   24.233   1.7896   27.717   1.6219 -3.483978 2.415193 
1 1 1   19    7  -21 o   78.881   1.0279  836.439   21.778  818.446   30.438  855.311   31.173   77.990   1.4531   79.727   1.4557 -1.736794 2.056827 
1 1 1   19    7  -20 o   21.749   1.5330   63.973   8.8979   72.107   14.890   59.455   11.097   22.983   2.4498   20.909   2.0004 2.073568 3.162796 
1 1 1   19    7  -19 o   43.937   1.0947  259.516   12.918  271.570   22.157  253.308   15.901   44.905   1.8371   43.396   1.3642 1.508499 2.288194 
1 1 1   19    7  -18 o   21.218   1.5418   60.896   8.7270   54.917   10.559   73.788   15.504   20.093   1.9822   23.246   2.5237 -3.152615 3.209101 
1 1 1   19    7  -17 o   31.324   0.8804  131.845   7.4073  133.156   8.1237  125.379   18.040   31.477   0.9609   30.417   2.2236 1.060287 2.422282 
1 1 1   19    7  -16 o   84.721   0.9212  964.518   20.962  967.312   26.687  960.017   33.871   84.827   1.1713   84.480   1.4927 0.3467865 1.897421 
1 1 1   19    7  -15 o   68.927   0.7963  638.306   14.742  634.993   19.760  642.464   22.138   68.736   1.0703   69.132   1.1923 -0.3966064 1.602209 
1 1 1   19    7  -14 o   76.933   0.8623  795.234   17.818  812.657   23.438  771.377   27.427   77.758   1.1222   75.743   1.3482 2.014435 1.754130 
1 1 1   19    7  -13 o   83.391   0.9526  934.430   21.336  923.365   28.743  948.009   31.841   82.876   1.2912   83.967   1.4119 -1.090195 1.913275 
1 1 1   19    7  -12 o   44.506   0.7809  266.107   9.3353  271.954   15.175  262.547   11.841   44.980   1.2561   44.202   0.9973 0.7772446 1.603901 
1 1 1   19    7  -11 o  104.017   1.0345  1453.88   28.902  1433.25   40.839  1474.58   40.909  103.244   1.4727  104.724   1.4544 -1.479591 2.069808 
1 1 1   19    7  -10 o  108.152   1.0172  1571.70   29.549  1527.21   43.125  1611.07   40.569  106.575   1.5065  109.473   1.3797 -2.897911 2.042873 
1 1 1   19    7   -9 o  166.482   1.4255  3726.01   63.740  3799.81  107.111  3685.54   79.312  167.968   2.3742  165.527   1.7839 2.441620 2.969726 
1 1 1   19    7   -8 o   69.436   0.9239  647.759   17.231  639.050   28.218  652.938   21.760   68.943   1.5238   69.705   1.1623 -0.7617340 1.916482 
1 1 1   19    7   -7 o   83.916   0.9085  946.069   20.476  919.784   36.915  957.750   24.609   82.704   1.6618   84.426   1.0852 -1.721169 1.984784 
1 1 1   19    7   -6 o  143.200   1.3876  2756.33   53.369  2882.93  116.409  2722.65   60.052  146.223   2.9640  142.305   1.5711 3.918106 3.354670 
1 1 1   19    7   -5 o  144.699   1.3265  2814.06   51.556  2781.43   80.943  2836.33   66.877  143.774   2.0961  145.233   1.7144 -1.458832 2.707914 
1 1 1   19    7   -4 o   63.649   0.7504  544.196   12.829  536.622   20.085  549.416   16.673   63.193   1.1833   63.949   0.9707 -0.7552299 1.530535 
1 1 1   19    7   -3 o   62.630   0.8091  526.927   13.611  545.471   21.786  515.053   17.433   63.710   1.2731   61.915   1.0483 1.794983 1.649173 
1 1 1   19    7   -2 o   79.739   0.8152  854.124   17.460  837.790   27.010  865.849   22.885   78.957   1.2736   80.276   1.0614 -1.319649 1.657899 
1 1 1   19    7   -1 o   98.378   0.9559  1300.25   25.259  1336.53   42.589  1280.57   31.372   99.708   1.5903   97.620   1.1965 2.087440 1.990113 
1 1 1   19    7    0 o   75.594   0.8305  767.646   16.862  782.865   28.402  759.363   20.954   76.320   1.3856   75.179   1.0377 1.141159 1.731065 
1 1 1   19    7    1 o  134.489   1.2540  2430.64   45.298  2381.08   81.959  2452.44   54.354  133.009   2.2942  135.072   1.4982 -2.063248 2.740054 
1 1 1   19    7    2 o   70.827   0.9058  673.924   17.232  644.622   29.838  688.588   21.108   69.245   1.6043   71.588   1.0978 -2.343010 1.943939 
1 1 1   19    7    3 o   44.685   0.7682  268.221   9.2202  272.891   15.887  265.849   11.322   45.061   1.3126   44.484   0.9476 0.5774727 1.618932 
1 1 1   19    7    4 o   43.959   0.8077  259.588   9.5370  250.610   13.542  268.423   13.433   43.186   1.1675   44.695   1.1190 -1.509525 1.617152 
1 1 1   19    7    5 o   52.487   0.7348  370.053   10.358  366.997   16.259  372.141   13.438   52.260   1.1583   52.630   0.9506 -0.3701439 1.498454 
1 1 1   19    7    6 o  110.613   0.9915  1643.87   29.456  1657.61   45.792  1634.17   38.472  111.039   1.5354  110.268   1.2990 0.7711029 2.011162 
1 1 1   19    7    7 o   37.912   0.8076  193.089   8.2242  183.143   11.934  202.085   11.350   36.916   1.2036   38.781   1.0896 -1.864399 1.623531 
1 1 1   19    7    8 o  118.954   1.0451  1901.32   33.391  1902.43   51.635  1900.52   43.776  118.945   1.6162  118.907   1.3707 0.3820038E-01 2.119204 
1 1 1   19    7    9 o  122.268   1.1660  2009.05   38.293  1985.31   60.114  2025.27   49.676  121.481   1.8424  122.732   1.5069 -1.251663 2.380174 
1 1 1   19    7   10 o   75.483   0.8378  765.460   16.986  764.103   25.370  766.563   22.868   75.399   1.2528   75.526   1.1273 -0.1272964 1.685302 
1 1 1   19    7   11 o   80.787   0.9099  876.893   19.744  896.631   28.157  857.800   27.693   81.672   1.2836   79.884   1.2907 1.788483 1.820268 
1 1 1   19    7   12 o   98.252   0.9607  1297.12   25.352  1325.30   37.909  1274.32   34.100   99.281   1.4216   97.362   1.3040 1.918976 1.929080 
1 1 1   19    7   13 o  110.408   1.0862  1638.24   32.211  1640.50   45.467  1635.96   45.640  110.444   1.5327  110.290   1.5407 0.1535721 2.173251 
1 1 1   19    7   14 o   40.835   0.8131  224.035   8.9176  236.074   12.632  212.072   12.591   41.910   1.1221   39.720   1.1802 2.189274 1.628547 
1 1 1   19    7   15 o   49.602   0.8010  330.558   10.672  327.927   14.924  333.311   15.266   49.393   1.1249   49.796   1.1414 -0.4032288 1.602594 
1 1 1   19    7   16 o   55.859   0.8590  419.254   12.888  431.538   19.634  409.954   17.084   56.652   1.2903   55.224   1.1518 1.428177 1.729602 
1 1 1   19    7   17 o   78.936   0.9449  837.360   20.033  840.296   29.738  834.920   27.107   79.042   1.4008   78.799   1.2807 0.2435226 1.898010 
1 1 1   19    7   18 o   34.428   1.0181  159.308   9.4146  165.273   13.848  154.182   12.837   35.050   1.4710   33.856   1.4117 1.194187 2.038833 
1 1 1   19    7   19 o   33.849   0.8514  153.960   7.7405  158.511   10.648  148.859   11.272   34.336   1.1546   33.271   1.2614 1.065376 1.710021 
1 1 1   19    7   20 o   44.104   0.8027  261.376   9.5088  269.086   13.147  252.919   13.769   44.739   1.0941   43.370   1.1820 1.368633 1.610661 
1 1 1   19    7   21 o   30.780   0.8603  127.324   7.1127  131.040   9.5108  122.608   10.714   31.219   1.1343   30.191   1.3213 1.027487 1.741355 
1 1 1   19    7   22 o   6.4879   2.3295   4.7769   5.1654  -5.1454   6.7653   18.646   7.9985   4.8839   2.2460   11.517   2.6419 -6.632839 3.467621 
1 1 1   19    7   23 o   47.882   0.8307  308.119   10.683  297.361   14.111  322.568   16.354   47.025   1.1172   48.970   1.2433 -1.944992 1.671531 
1 1 1   19    7   24 o   43.661   0.7955  256.187   9.3283  252.383   12.386  261.172   14.180   43.324   1.0644   44.064   1.1981 -0.7404518 1.602635 
1 1 1   19    7   25 o   29.552   0.8959  117.400   7.1109  115.903   9.3891  119.414   10.889   29.352   1.1909   29.786   1.3611 -0.4334946 1.808592 
1 1 1   19    7   26 o   40.680   0.8278  222.443   9.0452  234.317   11.857  205.912   13.990   41.740   1.0576   39.111   1.3318 2.628510 1.700630 
1 1 1   19    7   27 o   68.356   0.8834  628.208   16.218  626.919   22.620  629.571   23.266   68.249   1.2340   68.389   1.2666 -0.1402130 1.768329 
1 1 1   19    7   28 o   55.302   0.8422  411.180   12.510  430.506   17.068  388.748   18.388   56.562   1.1235   53.733   1.2741 2.828575 1.698702 
1 1 1   19    7   29 o   51.043   0.8349  350.325   11.447  357.107   14.777  340.149   18.100   51.515   1.0680   50.248   1.3411 1.266891 1.714367 
1 1 1   19    7   30 o   45.193   0.8782  274.691   10.661  273.016   14.561  276.626   15.650   45.026   1.2040   45.314   1.2859 -0.2879715 1.761580 
1 1 1   19    7   31 o   23.216   1.1481   72.578   7.1592   75.007   10.336   70.338   9.9259   23.511   1.6471   22.766   1.6341 0.7453327 2.320201 
1 1 1   19    7   32 o   10.006   2.3392   14.142   6.1740   20.467   7.9998   4.8269   9.7090   12.039   2.5532   7.8647   3.1077 4.174244 4.021972 
1 1 1   19    7   33 o   29.778   0.9682  119.340   7.7435  107.889   10.990  130.629   10.912   28.239   1.4539   31.128   1.3052 -2.888876 1.953819 
1 1 1   19    7   34 o   68.332   0.9270  628.350   17.013  629.683   25.100  627.217   23.140   68.323   1.3678   68.211   1.2630 0.1116333 1.861708 
1 1 1   19    7   35 o   47.447   0.8126  302.833   10.356  324.690   14.371  279.218   14.937   49.097   1.0897   45.512   1.2219 3.584991 1.637275 
1 1 1   19    7   36 o   29.599   0.9469  117.938   7.5277  122.023   10.245  113.144   11.098   30.079   1.2681   28.947   1.4274 1.131575 1.909302 
1 1 1   19    7   37 o   35.184   0.8866  166.621   8.3781  170.351   11.322  162.107   12.457   35.545   1.1859   34.655   1.3383 0.8896637 1.788084 
1 1 1   19    7   38 o   40.315   0.9092  218.823   9.8446  209.861   14.085  227.381   13.765   39.424   1.3302   41.050   1.2485 -1.625870 1.824302 
1 1 1   19    7   39 o   31.973   1.1090  137.852   9.5241  125.276   15.280  145.843   12.180   30.306   1.8864   32.850   1.3804 -2.543667 2.337562 
1 1 1   19    7   40 o   8.3018   2.6421   9.3456   6.6317   4.0260   8.3784   18.270   10.852   7.2416   2.8788   11.329   3.3393 -4.087070 4.408936 
1 1 1   19    7   41 o   57.687   0.8368  448.086   12.965  470.766   18.125  424.321   18.553   59.061   1.1426   56.050   1.2324 3.011566 1.680544 
1 1 1   19    7   42 o   14.705   1.7663   29.799   6.8368   41.111   9.0943   15.096   10.368   17.252   1.9997   10.423   3.3021 6.828833 3.860353 
1 1 1   19    7   43 f   21.025   1.3574   60.046   7.6247   65.306   9.5150   50.609   12.746   21.877   1.6310   19.008   2.5618 2.869192 3.036919 
1 1 1   19    7   44 o   67.190   0.9043  608.273   16.319  621.345   21.666  591.132   24.809   67.827   1.1893   66.086   1.3977 1.740891 1.835181 
1 1 1   19    7   45 o   45.495   0.8905  278.888   10.881  279.781   14.786  277.833   16.071   45.505   1.2098   45.320   1.3203 0.1848831 1.790730 
1 1 1   19    7   46 o   42.803   0.9045  246.942   10.398  248.850   14.189  244.728   15.283   42.902   1.2313   42.519   1.3382 0.3826561 1.818524 
1 1 1   19    7   47 o   6.7942   2.6884   3.7597   7.2750   3.3127   8.9876   4.6091   12.389   7.2340   2.9443   8.4335   3.4475 -1.199467 4.533665 
1 1 1   19    7   48 o   8.2437   2.8701   8.7326   7.7931   12.335   9.1043  -1.1425   15.074   9.4588   3.1030   8.2340   3.5979 1.224860 4.751139 
1 1 1   19    7   49 f   45.159   1.1503  276.215   13.953  263.185   17.765  297.193   22.541   43.948   1.5049   46.556   1.8027 -2.607330 2.348290 
1 1 1   19    7   50 o   18.742   2.0128   49.102   9.9736   50.466   14.748   47.952   13.539   18.548   3.0674   18.164   2.8706 0.3844471 4.201094 
1 1 1   19    7   51 o   23.503   1.9421   77.058   12.150   59.410   26.211   81.888   13.712   18.684   5.0865   24.140   2.1370 -5.455839 5.517137 
1 1 1   19    7   52 o   12.590   3.7290   24.911   13.504   22.230   18.503   27.966   19.754   12.101   4.3999   13.171   4.5703 -1.069806 6.344030 
1 1 1   19    7   53 o   8.0754   3.3732   4.5660   12.213   2.6306   18.220   6.1451   16.457   9.0394   3.9526   9.1660   3.8772 -0.1265306 5.536781 
1 1 1   19    8  -50 o   9.5931   3.9152   8.3769   15.947   0.0000   0.0000   8.3769   15.947  ?   ?    9.5931   3.9152 0.000000 3.915214 
1 1 1   19    8  -49 o   45.198   2.2175  284.476   26.921   0.0000   0.0000  284.476   26.921  ?   ?    45.198   2.2175 0.000000 2.217524 
1 1 1   19    8  -48 o   21.474   2.5584   65.341   14.466   48.507   21.858   78.461   19.297   17.520   4.5899   23.252   3.1725 -5.731859 5.579635 
1 1 1   19    8  -47 o   10.018   3.4880   13.351   11.510   3.3536   16.601   22.604   15.972   9.2074   3.8944   12.488   4.1106 -3.280117 5.662442 
1 1 1   19    8  -46 o   20.639   2.2558   59.293   12.301   69.388   18.223   50.840   16.674   21.994   3.1768   18.660   3.4540 3.333584 4.692740 
1 1 1   19    8  -45 o   39.702   1.1981  213.061   12.776  224.061   17.875  201.572   18.268   40.599   1.6392   38.470   1.7680 2.129181 2.410969 
1 1 1   19    8  -44 f   25.350   1.6195   87.610   10.969   89.088   14.578   85.681   16.655   25.419   2.1554   24.802   2.5359 0.6173248 3.328144 
1 1 1   19    8  -43 o   20.891   1.7201   59.713   9.5657   69.422   13.240   49.113   13.835   22.403   2.2301   18.618   2.8579 3.784361 3.625047 
1 1 1   19    8  -42 o   12.772   2.7266   23.379   9.0691   27.215   12.624   19.289   13.037   13.649   3.4437   11.686   3.7029 1.963324 5.056713 
1 1 1   19    8  -41 o   12.696   3.1782   23.375   10.813 -12.0100   19.610   38.832   12.961   8.3392   3.8310   16.465   3.0428 -8.126181 4.892327 
1 1 1   19    8  -40 o   54.611   1.1654  402.631   17.094  422.846   27.580  390.022   21.783   55.746   1.8420   53.653   1.5116 2.093151 2.382796 
1 1 1   19    8  -39 o   26.215   1.3676   93.180   9.5960  102.743   13.472   83.332   13.672   27.429   1.8393   24.629   2.0863 2.800379 2.781340 
1 1 1   19    8  -38 o   18.526   2.0770   47.333   10.157   39.657   12.320   63.620   17.945   16.739   2.8419   21.162   3.2621 -4.422270 4.326393 
1 1 1   19    8  -37 o   19.432   1.7082   51.565   8.8251   47.080   11.921   57.005   13.127   18.390   2.4765   20.268   2.4619 -1.878735 3.491974 
1 1 1   19    8  -36 o   27.705   1.3184  103.612   9.8109  105.473   13.592  101.588   14.176   27.829   1.8286   27.284   1.9472 0.5450954 2.671182 
1 1 1   19    8  -35 o   25.006   1.5307   84.827   10.231   80.233   12.961   92.425   16.667   24.227   2.0099   25.917   2.4225 -1.689987 3.147705 
1 1 1   19    8  -34 o   20.794   1.6176   58.810   8.9635   65.046   12.327   51.814   13.057   21.778   2.1348   19.314   2.5817 2.464836 3.349990 
1 1 1   19    8  -33 o   12.769   2.7305   23.120   9.0813   17.789   11.077   34.051   15.861   11.280   3.3855   15.351   3.8527 -4.071003 5.128839 
1 1 1   19    8  -32 o   16.893   2.1384   39.335   9.4855   46.966   15.671   34.922   11.916   18.199   3.3286   15.727   2.9288 2.471525 4.433611 
1 1 1   19    8  -31 o   30.199   1.1730  122.859   9.5141  116.658   13.249  129.462   13.671   29.331   1.6890   30.910   1.6526 -1.578943 2.363005 
1 1 1   19    8  -30 f   40.329   1.0490  218.938   11.363  231.958   16.416  206.962   15.744   41.463   1.4740   39.163   1.4967 2.300564 2.100693 
1 1 1   19    8  -29 o   82.504   1.1316  916.483   25.076  903.958   37.540  926.575   33.696   81.804   1.7086   82.873   1.5138 -1.068954 2.282740 
1 1 1   19    8  -28 o   67.734   1.4118  618.419   25.685  585.908   35.871  652.626   36.795   65.800   2.0297   69.460   1.9722 -3.660126 2.830072 
1 1 1   19    8  -27 o   83.673   1.0781  942.092   24.228  956.593   34.290  927.636   34.237   84.232   1.5156   82.943   1.5368 1.289253 2.158460 
1 1 1   19    8  -26 o   73.824   1.0185  733.091   20.195  745.949   28.771  720.603   28.354   74.408   1.4396   73.132   1.4435 1.275673 2.038650 
1 1 1   19    8  -25 o   30.789   1.1286  127.539   9.3334  130.277   13.142  124.753   13.258   31.051   1.5810   30.378   1.6309 0.6732025 2.271392 
1 1 1   19    8  -24 o   22.313   1.3591   67.271   8.1062   54.802   11.274   80.617   11.664   20.031   2.1281   24.384   1.7935 -4.353952 2.783064 
1 1 1   19    8  -23 o  113.288   1.2592  1726.88   38.314  1714.71   53.906  1739.30   54.468  112.780   1.7796  113.584   1.7854 -0.8042831 2.520781 
1 1 1   19    8  -22 o  110.307   1.2335  1636.87   36.546  1685.33   52.474  1591.22   50.927  111.831   1.7470  108.665   1.7449 3.166634 2.469131 
1 1 1   19    8  -21 o  101.766   1.1714  1392.84   32.019  1421.24   45.669  1365.39   44.903  102.724   1.6552  100.685   1.6604 2.039436 2.344530 
1 1 1   19    8  -20 o  100.178   1.1588  1349.56   31.181  1356.40   44.150  1342.74   44.043  100.365   1.6378   99.857   1.6421 0.5074158 2.319248 
1 1 1   19    8  -19 o   46.227   1.1062  287.315   13.735  276.637   23.405  292.923   16.963   45.306   1.9234   46.662   1.3535 -1.355965 2.351857 
1 1 1   19    8  -18 o   52.980   0.8710  377.210   12.394  359.332   16.252  402.058   19.160   51.695   1.1705   54.673   1.3048 -2.978775 1.752863 
1 1 1   19    8  -17 o   48.882   0.7899  321.065   10.371  321.776   12.846  319.732   17.576   48.929   0.9775   48.755   1.3421 0.1737213 1.660375 
1 1 1   19    8  -16 o   80.446   1.0710  869.953   23.141  848.012   27.139  928.387   44.291   79.410   1.2724   83.007   1.9866 -3.596832 2.359151 
1 1 1   19    8  -15 o   47.834   0.8605  307.459   11.056  338.978   16.281  280.488   15.060   50.211   1.2072   45.673   1.2277 4.537819 1.721786 
1 1 1   19    8  -14 o   71.943   0.8897  695.507   17.191  708.348   26.170  685.761   22.801   72.575   1.3425   71.420   1.1886 1.155701 1.793089 
1 1 1   19    8  -13 o  121.412   1.1558  1981.60   37.693  1974.77   53.452  1988.35   53.160  121.142   1.6428  121.560   1.6282 -0.4180450 2.312936 
1 1 1   19    8  -12 o   57.655   0.8311  446.635   12.870  445.474   17.617  447.965   18.848   57.568   1.1394   57.725   1.2157 -0.1570625 1.666139 
1 1 1   19    8  -11 o   67.376   0.7982  609.901   14.446  630.605   21.685  593.383   19.369   68.492   1.1787   66.445   1.0853 2.047356 1.602291 
1 1 1   19    8  -10 o  132.083   1.1274  2344.85   39.995  2359.84   62.274  2334.33   52.179  132.427   1.7508  131.747   1.4746 0.6794281 2.289041 
1 1 1   19    8   -9 o   35.734   0.7443  171.547   7.1435  168.207   11.355  173.735   9.1898   35.375   1.1951   35.957   0.9515 -0.5824738 1.527650 
1 1 1   19    8   -8 o  100.009   0.9676  1343.96   25.992  1365.94   43.842  1332.05   32.275  100.772   1.6198   99.549   1.2071 1.223061 2.020080 
1 1 1   19    8   -7 o   45.170   0.7931  274.111   9.6222  276.800   15.858  272.544   12.106   45.377   1.3011   45.036   1.0008 0.3410683 1.641452 
1 1 1   19    8   -6 o   51.990   0.7906  363.124   11.039  357.535   15.834  368.410   15.399   51.578   1.1430   52.358   1.0950 -0.7800941 1.582848 
1 1 1   19    8   -5 o   20.404   1.0051   55.940   5.5084   59.255   9.0769   54.007   6.9306   20.927   1.6277   20.002   1.2970 0.9244862 2.081242 
1 1 1   19    8   -4 o  145.448   1.2741  2843.56   49.773  2841.52   82.586  2844.73   62.373  145.283   2.1164  145.442   1.5967 -0.1583099 2.651131 
1 1 1   19    8   -3 o   92.526   1.0139  1150.36   25.197  1161.86   43.795  1144.66   30.806   92.937   1.7544   92.284   1.2428 0.6526489 2.150047 
1 1 1   19    8   -2 o   90.580   1.0612  1102.53   25.818  1118.57   42.367  1093.05   32.563   91.192   1.7297   90.174   1.3445 1.017738 2.190806 
1 1 1   19    8   -1 o   99.047   1.0567  1318.26   28.112  1356.14   49.405  1300.11   34.186  100.401   1.8321   98.349   1.2942 2.052498 2.243066 
1 1 1   19    8    0 o   86.833   1.0368  1013.16   24.182  1056.91   49.269  999.276   27.755   88.614   2.0701   86.228   1.1984 2.385826 2.391929 
1 1 1   19    8    1 o   56.307   0.8849  425.951   13.382  454.098   27.356  417.096   15.344   58.102   1.7529   55.714   1.0253 2.387962 2.030786 
1 1 1   19    8    2 o   97.746   1.2811  1284.23   33.635  1345.00   84.853  1272.90   36.636   99.812   3.1652   97.306   1.4018 2.505547 3.461682 
1 1 1   19    8    3 o   44.339   1.0087  264.158   12.013  276.646   21.695  258.636   14.426   45.348   1.7812   43.867   1.2244 1.481323 2.161458 
1 1 1   19    8    4 o   87.712   0.9915  1033.75   23.357  1045.35   49.735  1030.47   26.457   88.121   2.1013   87.566   1.1249 0.5545578 2.383464 
1 1 1   19    8    5 o   65.002   0.8265  567.652   14.430  572.009   26.190  565.753   17.291   65.223   1.4950   64.888   0.9921 0.3351364 1.794229 
1 1 1   19    8    6 o   76.581   0.8763  787.941   18.024  799.802   32.734  782.780   21.592   77.117   1.5803   76.322   1.0533 0.7948380 1.899197 
1 1 1   19    8    7 o   45.896   0.7991  282.987   9.8504  293.693   17.700  278.184   11.856   46.737   1.4100   45.500   0.9701 1.236782 1.711485 
1 1 1   19    8    8 o   95.526   1.0981  1226.38   28.175  1270.57   56.637  1211.85   32.479   97.129   2.1710   94.947   1.2736 2.182266 2.517004 
1 1 1   19    8    9 o  125.786   1.2549  2126.95   42.397  2180.60   74.175  2100.91   51.670  127.237   2.1705  124.982   1.5392 2.254486 2.660829 
1 1 1   19    8   10 o  121.527   1.1648  1985.14   38.021  1988.50   68.958  1983.67   45.575  121.506   2.1130  121.458   1.3970 0.4808044E-01 2.533045 
1 1 1   19    8   11 o   92.469   0.9746  1149.05   24.205  1186.43   44.309  1133.15   28.897   93.893   1.7570   91.814   1.1718 2.078728 2.111903 
1 1 1   19    8   12 o   14.352   1.5859   28.048   6.0110   23.753   9.2849   31.147   7.8868   13.022   2.7413   15.077   1.9966 -2.054941 3.391345 
1 1 1   19    8   13 o   26.363   0.9868   93.406   6.9873   97.315   10.196   89.945   9.5943   26.862   1.4183   25.824   1.3883 1.037598 1.984697 
1 1 1   19    8   14 o   79.332   0.9504  845.780   20.250  848.727   34.389  844.216   25.055   79.417   1.6122   79.243   1.1772 0.1740723 1.996194 
1 1 1   19    8   15 o   27.134   0.9635   98.950   7.0219  101.156   9.8427   96.665   10.021   27.425   1.3362   26.771   1.3984 0.6539536 1.934167 
1 1 1   19    8   16 o   69.770   0.8143  654.093   15.260  658.033   20.574  649.275   22.752   69.964   1.0948   69.488   1.2190 0.4755707 1.638500 
1 1 1   19    8   17 o  126.041   1.2655  2136.46   42.841  2174.24   57.865  2090.64   63.731  127.080   1.6953  124.572   1.9048 2.507813 2.549947 
1 1 1   19    8   18 o   86.490   0.9009  1005.34   20.927  1000.10   28.110  1011.85   31.345   86.238   1.2136   86.730   1.3456 -0.4919357 1.811988 
1 1 1   19    8   19 o   45.142   0.7783  273.828   9.4372  288.725   12.746  255.755   14.040   46.344   1.0240   43.610   1.1986 2.734325 1.576460 
1 1 1   19    8   20 o   37.202   0.8112  185.986   8.1061  196.224   10.899  173.311   12.127   38.203   1.0622   35.895   1.2578 2.307869 1.646286 
1 1 1   19    8   21 o   32.991   0.8349  146.272   7.3981  141.655   9.7796  152.449   11.312   32.456   1.1218   33.664   1.2510 -1.208340 1.680368 
1 1 1   19    8   22 o   45.296   0.8391  275.753   10.208  292.960   13.780  254.823   15.197   46.674   1.0992   43.519   1.3002 3.155643 1.702533 
1 1 1   19    8   23 o   41.427   0.8485  230.677   9.4417  226.433   11.885  237.939   15.546   41.033   1.0784   42.044   1.3766 -1.010956 1.748711 
1 1 1   19    8   24 o   42.948   0.8461  247.946   9.7600  248.683   12.260  246.671   16.129   43.000   1.0615   42.802   1.4029 0.1978989 1.759239 
1 1 1   19    8   25 o   23.230   1.1027   72.594   6.8801   69.989   8.4317   77.785   11.902   22.756   1.3861   23.936   1.8660 -1.179943 2.324523 
1 1 1   19    8   26 o   49.621   0.8396  331.039   11.189  331.674   14.187  329.994   18.201   49.652   1.0638   49.498   1.3690 0.1546745 1.733770 
1 1 1   19    8   27 o   52.301   0.8011  367.757   11.254  371.059   15.069  363.594   16.922   52.513   1.0684   51.967   1.2123 0.5454712 1.615945 
1 1 1   19    8   28 o   24.130   1.0971   78.370   7.1103   72.393   9.6350   85.519   10.536   23.113   1.5612   25.129   1.5689 -2.015820 2.213325 
1 1 1   19    8   29 o   46.706   0.9934  293.539   12.462  307.351   19.471  283.954   16.220   47.729   1.5189   45.903   1.3156 1.826244 2.009394 
1 1 1   19    8   30 f   39.222   0.8914  206.950   9.3906  211.141   11.897  200.024   15.294   39.598   1.1186   38.503   1.4789 1.095024 1.854308 
1 1 1   19    8   31 o   30.956   0.9075  128.935   7.5454  127.167   10.043  131.226   11.434   30.721   1.2171   31.194   1.3647 -0.4730759 1.828595 
1 1 1   19    8   32 o   28.127   0.9482  106.472   7.1631  111.353   9.5189  100.099   10.877   28.743   1.2330   27.189   1.4951 1.554525 1.937965 
1 1 1   19    8   33 o   68.108   0.8723  624.135   15.957  626.508   22.275  621.634   22.869   68.177   1.2165   67.904   1.2539 0.2734909 1.747012 
1 1 1   19    8   34 o   33.750   0.9318  153.321   8.4470  137.461   11.857  169.665   12.037   31.914   1.3833   35.470   1.2634 -3.556377 1.873412 
1 1 1   19    8   35 o   37.097   0.9065  185.240   9.0327  184.806   12.759  185.677   12.790   37.012   1.2834   37.099   1.2835 -0.8711624E-01 1.815110 
1 1 1   19    8   36 o   26.338   1.1731   93.539   8.2989   95.516   12.912   92.147   10.833   26.478   1.8268   26.056   1.5550 0.4215908 2.398966 
1 1 1   19    8   37 o   34.194   0.9895  157.513   9.0878  179.588   13.463  139.036   12.317   36.459   1.3748   32.072   1.4299 4.387138 1.983605 
1 1 1   19    8   38 o   27.783   1.0127  104.029   7.5571  110.543   10.408   96.768   10.990   28.600   1.3550   26.691   1.5395 1.908932 2.050865 
1 1 1   19    8   39 o   24.151   1.2553   78.996   8.1144   78.297   10.624   79.974   12.571   23.968   1.6606   24.157   1.9541 -0.1891842 2.564397 
1 1 1   19    8   40 o   54.278   0.8299  396.703   12.098  397.482   16.653  395.833   17.607   54.266   1.1425   54.136   1.2109 0.1294785 1.664806 
1 1 1   19    8   41 o   24.055   1.3153   78.481   8.4658   77.827   11.228   79.342   12.888   23.861   1.7644   24.031   2.0154 -0.1692162 2.678599 
1 1 1   19    8   42 o   13.567   2.0944   25.718   7.3862   29.606   9.6294   20.160   11.512   14.452   2.5751   11.826   3.4263 2.626293 4.286133 
1 1 1   19    8   43 o   37.109   0.9165  185.577   9.1349  188.107   12.180  182.325   13.811   37.312   1.2153   36.697   1.4012 0.6146584 1.854824 
1 1 1   19    8   44 f   36.180   0.9432  176.461   9.1660  177.256   12.198  175.429   13.892   36.209   1.2543   35.984   1.4373 0.2246666 1.907622 
1 1 1   19    8   45 o   48.574   0.8411  317.877   10.973  313.260   14.459  324.147   16.851   48.161   1.1178   48.947   1.2817 -0.7862053 1.700670 
1 1 1   19    8   46 o   31.817   1.1613  136.862   9.9243  133.969   12.873  141.100   15.582   31.403   1.5262   32.103   1.8145 -0.7004051 2.371055 
1 1 1   19    8   47 o   35.377   1.0298  169.077   9.7856  177.103   12.263  155.007   16.236   36.153   1.2629   33.622   1.8045 2.531029 2.202512 
1 1 1   19    8   48 o   36.254   1.2219  178.226   11.899  183.365   17.845  174.113   15.965   36.561   1.8172   35.687   1.6656 0.8743477 2.465094 
1 1 1   19    8   49 o   12.634   2.6259   23.278   8.6201   31.736   11.962   14.140   12.433   14.600   3.1433   10.199   3.6191 4.401480 4.793559 
1 1 1   19    8   50 o   9.1390   3.4482   10.170   11.553   1.8034   18.354   15.661   14.868   9.1618   3.9875   10.709   3.9364 -1.547664 5.603163 
1 1 1   19    8   51 o   6.9417   3.2277  -9.5295   14.548  -0.3779   18.101 -26.2300   24.452   8.7685   3.8827   8.0236   3.8599 0.7449493 5.474882 
1 1 1   19    8   52 o   27.394   2.3621  107.739   17.210   87.259   21.583  143.500   28.520   23.769   3.4841   30.478   3.5504 -6.708902 4.974357 
1 1 1   19    9  -50 o   24.804   4.5272  100.900   29.049   0.0000   0.0000  100.900   29.049  ?   ?    24.804   4.5272 0.000000 4.527226 
1 1 1   19    9  -49 o   30.213   2.5266  130.161   20.315   0.0000   0.0000  130.161   20.315  ?   ?    30.213   2.5266 0.000000 2.526617 
1 1 1   19    9  -48 o   12.893   4.4082   25.143   18.350   0.0000   0.0000   25.143   18.350  ?   ?    12.893   4.4082 0.000000 4.408173 
1 1 1   19    9  -47 o   25.154   2.1783   88.219   14.571   99.625   22.355   79.793   19.214   26.183   3.2486   23.465   3.1264 2.717873 4.508604 
1 1 1   19    9  -46 o   12.717   3.3576   23.940   11.637   26.925   16.507   20.989   16.409   13.415   4.1544   12.172   4.1685 1.242643 5.885156 
1 1 1   19    9  -45 f   34.873   1.5621  165.351   14.632  150.382   21.106  179.203   20.302   32.901   2.4050   36.067   2.1049 -3.165405 3.196026 
1 1 1   19    9  -44 o   8.9776   3.0614   10.591   8.8503   8.7402   12.435   12.491   12.599   9.2300   3.5544   10.041   3.6337 -0.8108902 5.083044 
1 1 1   19    9  -43 o   30.907   1.3754  129.353   11.418  130.738   15.154  127.533   17.366   30.921   1.8328   30.441   2.1375 0.4801426 2.815693 
1 1 1   19    9  -42 o   10.927   2.8847   17.198   8.5910   14.867   11.597   20.033   12.789   10.473   3.5048   11.837   3.6551 -1.364378 5.063969 
1 1 1   19    9  -41 o   40.218   1.1532  218.445   12.457  194.713   17.234  244.413   18.027   37.848   1.6953   42.437   1.5816 -4.589207 2.318517 
1 1 1   19    9  -40 o   30.862   1.5758  129.554   13.018   94.470   24.093  144.021   15.471   25.634   3.5984   32.488   1.7798 -6.853836 4.014470 
1 1 1   19    9  -39 o   21.157   1.8701   61.411   10.517   63.848   16.929   59.879   13.422   21.216   3.0592   20.731   2.4584 0.4852142 3.924627 
1 1 1   19    9  -38 o   37.319   1.1535  187.994   11.562  217.725   16.345  158.215   16.358   40.088   1.5180   34.068   1.7940 6.019501 2.350086 
1 1 1   19    9  -37 o   21.847   1.7679   65.229   10.285   62.523   12.719   70.344   17.484   21.269   2.2611   22.353   2.9868 -1.084021 3.746111 
1 1 1   19    9  -36 o   24.228   1.4477   79.655   9.3773   85.546   12.983   73.230   13.559   25.009   1.9482   23.063   2.2161 1.945704 2.950695 
1 1 1   19    9  -35 o   26.093   1.3497   92.189   9.4268  100.874   13.221   83.208   13.445   27.209   1.8196   24.650   2.0492 2.558609 2.740500 
1 1 1   19    9  -34 o   37.638   1.2048  191.047   12.180  196.021   15.869  183.916   19.001   38.073   1.5519   36.760   1.9312 1.313019 2.477485 
1 1 1   19    9  -33 o   17.497   1.8419   41.941   8.5261   48.649   11.784   34.571   12.351   18.742   2.3958   15.594   3.0582 3.148372 3.884931 
1 1 1   19    9  -32 o   15.033   2.3287   31.465   9.0983   36.663   12.177   24.896   13.690   16.112   2.9214   13.191   3.7089 2.920381 4.721293 
1 1 1   19    9  -31 o   12.357   3.0619   21.794   10.111   0.6133   14.417   42.292   14.183   8.4690   3.6075   17.278   3.1731 -8.808937 4.804463 
1 1 1   19    9  -30 f   66.567   1.0919  596.769   19.522  603.707   29.874  591.598   25.790   66.828   1.6643   66.206   1.4503 0.6214371 2.207587 
1 1 1   19    9  -29 o   15.202   1.9619   31.813   7.8239   19.430   10.744   45.793   11.416   11.717   3.2827   18.198   2.3937 -6.480430 4.062719 
1 1 1   19    9  -28 o   51.556   0.9950  357.713   13.778  340.353   19.254  375.931   19.724   50.233   1.4271   52.799   1.3908 -2.565975 1.992728 
1 1 1   19    9  -27 o   12.921   3.0561   23.734   10.440   31.923   14.956   15.953   14.578   14.924   3.7389   11.276   3.9255 3.648896 5.421148 
1 1 1   19    9  -26 o   18.725   2.2558   48.198   11.117   51.121   15.532   45.128   15.918   19.101   3.1363   17.850   3.4451 1.250706 4.658864 
1 1 1   19    9  -25 o   83.118   1.0647  929.588   23.768  919.784   33.361  939.694   33.872   82.598   1.5037   83.486   1.5106 -0.8876877 2.131435 
1 1 1   19    9  -24 o   35.191   1.0430  166.602   9.8581  171.585   13.787  161.389   14.102   35.686   1.4383   34.604   1.5173 1.082848 2.090672 
1 1 1   19    9  -23 o   64.442   0.9778  558.468   16.924  559.285   23.920  557.648   23.947   64.445   1.3819   64.350   1.3855 0.9480286E-01 1.956886 
1 1 1   19    9  -22 o   37.933   1.0125  193.500   10.316  190.028   14.637  196.926   14.541   37.564   1.4507   38.242   1.4157 -0.6783295 2.027012 
1 1 1   19    9  -21 o   36.179   1.0231  176.010   9.9416  174.702   13.985  177.346   14.135   36.021   1.4455   36.292   1.4501 -0.2712517 2.047498 
1 1 1   19    9  -20 o   74.409   0.8782  744.219   17.552  756.197   22.384  725.100   28.281   74.985   1.1114   73.392   1.4347 1.593224 1.814820 
1 1 1   19    9  -19 o   23.655   1.0451   75.237   6.6401   63.095   8.1042  100.036   11.582   21.607   1.4041   27.209   1.5918 -5.601940 2.122557 
1 1 1   19    9  -18 o   26.997   1.1479   98.017   8.3235   98.934   10.293   96.284   14.148   27.076   1.4203   26.647   1.9912 0.4291191 2.445831 
1 1 1   19    9  -17 o   18.461   0.9968   45.947   4.9242   56.832   8.9145   41.167   5.9073   20.479   1.6343   17.448   1.2692 3.030954 2.069215 
1 1 1   19    9  -16 o   54.746   0.7425  402.711   10.919  411.580   16.774  396.191   14.383   55.326   1.1288   54.290   0.9863 1.036312 1.499022 
1 1 1   19    9  -15 o   98.363   0.9171  1300.35   24.228  1276.95   37.316  1317.40   31.855   97.420   1.4261   98.978   1.1983 -1.558426 1.862700 
1 1 1   19    9  -14 o   82.549   0.8689  915.744   19.266  914.776   28.577  916.550   26.085   82.471   1.2901   82.562   1.1763 -0.9029388E-01 1.745873 
1 1 1   19    9  -13 o   92.426   1.0217  1148.26   25.362  1143.99   34.025  1153.61   38.046   92.220   1.3737   92.589   1.5299 -0.3689423 2.056112 
1 1 1   19    9  -12 o   37.964   0.8701  193.680   8.8727  207.720   11.794  175.370   13.468   39.308   1.1171   36.107   1.3887 3.200703 1.782259 
1 1 1   19    9  -11 o   93.743   1.0840  1181.29   27.294  1202.92   35.152  1148.46   43.311   94.569   1.3839   92.361   1.7459 2.208038 2.227862 
1 1 1   19    9  -10 f  104.244   0.9950  1460.52   27.858  1476.28   41.620  1447.72   37.496  104.756   1.4792  103.753   1.3455 1.002914 1.999614 
1 1 1   19    9   -9 o   81.327   0.9047  888.793   19.762  894.280   31.703  885.305   25.272   81.538   1.4476   81.151   1.1595 0.3869934 1.854694 
1 1 1   19    9   -8 o   60.251   0.7692  487.726   12.447  492.500   18.723  483.945   16.662   60.528   1.1517   60.006   1.0338 0.5223160 1.547616 
1 1 1   19    9   -7 o  121.693   1.1078  1990.58   36.210  1985.13   53.742  1995.10   49.002  121.462   1.6473  121.787   1.4980 -0.3253021 2.226627 
1 1 1   19    9   -6 o   48.280   0.7106  313.152   9.2152  298.982   12.985  327.531   13.080   47.166   1.0250   49.368   0.9865 -2.201897 1.422556 
1 1 1   19    9   -5 o   92.845   0.8807  1158.27   21.961  1118.25   30.572  1200.93   31.567   91.202   1.2480   94.514   1.2435 -3.311600 1.761791 
1 1 1   19    9   -4 o   37.710   0.7633  191.052   7.7315  188.468   11.515  193.172   10.433   37.445   1.1449   37.913   1.0245 -0.4677582 1.536395 
1 1 1   19    9   -3 o  142.479   1.1976  2728.84   45.831  2739.74   64.986  2718.06   64.645  142.695   1.6956  142.129   1.6934 0.5652618 2.396381 
1 1 1   19    9   -2 o   72.377   0.7784  703.784   15.132  694.068   21.411  713.480   21.388   71.861   1.1093   72.860   1.0929 -0.9988708 1.557278 
1 1 1   19    9   -1 o   11.003   1.6834   16.663   4.8165   25.436   7.0187   8.8532   6.6218   13.604   1.9789   8.2160   2.6428 5.387901 3.301585 
1 1 1   19    9    0 o   47.633   0.7140  304.802   9.1346  312.125   13.157  297.987   12.692   48.193   1.0164   47.090   1.0035 1.103672 1.428340 
1 1 1   19    9    1 o   7.2139   2.4193   6.5671   5.5262   13.323   7.8704  -0.0027   7.7611   9.8280   2.8288   6.2353   2.6512 3.592656 3.876998 
1 1 1   19    9    2 o   45.744   0.8002  281.128   9.8316  283.778   14.137  278.647   13.682   45.948   1.1455   45.532   1.1188 0.4163628 1.601194 
1 1 1   19    9    3 o   65.623   0.8316  578.602   14.658  563.622   23.247  588.489   18.886   64.745   1.3368   66.172   1.0626 -1.427330 1.707679 
1 1 1   19    9    4 o   57.057   0.7648  437.365   11.721  422.444   17.440  449.658   15.829   56.060   1.1583   57.844   1.0188 -1.783451 1.542596 
1 1 1   19    9    5 o   69.065   0.8059  640.872   14.949  627.615   22.169  651.928   20.245   68.328   1.2080   69.646   1.0823 -1.317787 1.621870 
1 1 1   19    9    6 o   11.080   1.7680   16.933   5.0847   17.446   7.5044   16.497   6.9135   11.151   2.5597   10.848   2.4327 0.3028822 3.531349 
1 1 1   19    9    7 o   52.334   0.7934  367.984   11.152  372.837   17.763  364.827   14.327   52.660   1.2559   52.101   1.0238 0.5587845 1.620307 
1 1 1   19    9    8 o   47.496   0.7636  303.090   9.7416  308.314   14.659  298.958   13.037   47.891   1.1396   47.163   1.0291 0.7280693 1.535512 
1 1 1   19    9    9 o   26.310   0.9892   93.032   6.9906   87.039   9.9080   98.973   9.8646   25.396   1.4587   27.128   1.3538 -1.732718 1.990119 
1 1 1   19    9   10 f   83.194   0.8771  930.054   19.599  946.469   29.357  916.858   26.323   83.894   1.3028   82.581   1.1868 1.313400 1.762347 
1 1 1   19    9   11 o   85.524   0.8536  982.865   19.608  976.649   30.138  987.428   25.820   85.218   1.3167   85.704   1.1217 -0.4855042 1.729712 
1 1 1   19    9   12 o   11.821   1.7909   19.239   5.5081   26.227   8.2642   13.654   7.3884   13.758   2.3189   9.8960   2.7032 3.861829 3.561553 
1 1 1   19    9   13 o   33.788   0.8568  153.411   7.7753  162.144   11.142  145.120   10.856   34.726   1.1945   32.851   1.2303 1.874809 1.714838 
1 1 1   19    9   14 o  111.776   1.1060  1679.72   33.205  1705.13   46.934  1654.26   46.984  112.559   1.5524  110.863   1.5779 1.695786 2.213531 
1 1 1   19    9   15 o   62.822   0.8477  530.360   14.304  529.589   22.266  530.902   18.665   62.746   1.3212   62.839   1.1059 -0.9289551E-01 1.722909 
1 1 1   19    9   16 o   31.140   0.9705  130.345   8.1173  125.997   10.609  136.484   12.607   30.606   1.2905   31.846   1.4739 -1.240540 1.959073 
1 1 1   19    9   17 o   13.258   1.6688   24.042   5.8108   25.558   8.2099   22.520   8.2256   13.569   2.3370   12.692   2.5018 0.8766966 3.423589 
1 1 1   19    9   18 o   85.217   0.9913  976.247   22.689  974.920   30.225  977.960   34.343   85.125   1.3219   85.235   1.5001 -0.1102066 1.999494 
1 1 1   19    9   19 o   46.624   0.8215  292.154   10.287  296.565   13.048  284.909   16.722   46.965   1.0344   46.013   1.3531 0.9514656 1.703164 
1 1 1   19    9   20 o   48.596   0.9084  317.451   11.857  322.325   14.548  307.803   20.467   48.956   1.1063   47.804   1.5940 1.152271 1.940354 
1 1 1   19    9   21 o   38.229   0.9194  196.475   9.4402  198.808   11.827  192.378   15.672   38.444   1.1454   37.792   1.5439 0.6519775 1.922360 
1 1 1   19    9   22 o   34.608   0.8981  161.024   8.3482  167.371   10.491  150.068   13.784   35.274   1.1074   33.376   1.5376 1.898415 1.894858 
1 1 1   19    9   23 o   26.725   0.9585   96.048   6.8802  100.297   9.0032   90.083   10.667   27.299   1.2279   25.809   1.5460 1.489422 1.974264 
1 1 1   19    9   24 o   15.952   1.3827   34.532   5.8658   39.349   7.6172   27.512   9.1947   16.996   1.6910   14.033   2.5326 2.963025 3.045283 
1 1 1   19    9   25 o   58.790   0.8062  464.680   12.730  458.706   16.951  472.408   19.280   58.385   1.0809   59.235   1.2118 -0.8504333 1.623834 
1 1 1   19    9   26 o   20.035   1.1774   54.230   6.3078   56.167   8.1663   51.366   9.9317   20.353   1.5045   19.396   1.9321 0.9571972 2.448815 
1 1 1   19    9   27 o   9.2848   2.4829   12.125   6.3120   5.8456   8.4691   19.972   9.4670   7.7498   2.9455   11.862   2.9763 -4.111979 4.187452 
1 1 1   19    9   28 o   75.572   1.0315  768.731   20.937  784.072   26.381  742.630   34.411   76.274   1.2877   74.126   1.7283 2.148018 2.155327 
1 1 1   19    9   29 o   24.372   1.0615   79.972   6.9485   74.907   9.0344   87.309   10.872   23.519   1.4371   25.374   1.6036 -1.854961 2.153265 
1 1 1   19    9   30 f   62.652   0.8780  528.107   14.775  514.371   20.451  543.105   21.369   61.777   1.2325   63.475   1.2534 -1.698128 1.757886 
1 1 1   19    9   31 o   18.066   1.4225   44.322   6.8470   45.018   8.4104   42.953   11.791   18.159   1.7459   17.563   2.5759 0.5951366 3.111864 
1 1 1   19    9   32 o   6.7503   2.4624   5.0778   5.8024   6.0253   7.4214   3.5878   9.3066   7.4882   2.7759   7.4660   3.0114 0.2214813E-01 4.095595 
1 1 1   19    9   33 o   22.420   1.1135   67.736   6.7054   63.783   8.6597   73.655   10.596   21.676   1.4966   23.266   1.7076 -1.589226 2.270615 
1 1 1   19    9   34 o   43.460   0.8657  254.199   10.106  256.028   14.433  252.440   14.155   43.567   1.2334   43.263   1.2181 0.3039894 1.733514 
1 1 1   19    9   35 o   51.591   0.8316  358.206   11.523  359.273   16.055  357.072   16.549   51.616   1.1581   51.450   1.1975 0.1656609 1.665903 
1 1 1   19    9   36 o   22.908   1.2155   71.018   7.4521   60.732   10.243   82.585   10.862   21.072   1.8278   24.633   1.6513 -3.560562 2.463307 
1 1 1   19    9   37 o   29.764   1.0220  119.419   8.1702  117.308   11.386  121.660   11.731   29.446   1.4396   29.984   1.4566 -0.5386333 2.047996 
1 1 1   19    9   38 o   54.482   1.0628  400.360   15.553  399.267   21.246  401.623   22.830   54.305   1.4566   54.432   1.5615 -0.1272507 2.135463 
1 1 1   19    9   39 o   23.943   1.1846   77.421   7.6180   77.354   9.4403   77.546   12.899   23.850   1.4810   23.748   2.0421 0.1021137 2.522625 
1 1 1   19    9   40 o   13.524   1.9282   25.416   6.8054   19.511   8.4322   36.448   11.526   11.649   2.7408   16.010   2.7814 -4.360648 3.904849 
1 1 1   19    9   41 o   26.253   1.0940   93.032   7.7144   87.177   9.9509  101.850   12.213   25.321   1.4695   27.328   1.6719 -2.007099 2.225875 
1 1 1   19    9   42 o   20.902   1.3394   59.360   7.4800   48.508   9.3296   78.888   12.515   18.776   1.8751   23.964   1.9616 -5.188723 2.713620 
1 1 1   19    9   43 o   19.347   1.3776   50.935   7.1117   49.166   9.1903   53.576   11.228   18.910   1.8325   19.661   2.1618 -0.7515030 2.833943 
1 1 1   19    9   44 o   14.310   1.8039   28.336   6.7792   31.199   8.7966   24.149   10.638   14.907   2.2686   12.877   3.1108 2.030321 3.850164 
1 1 1   19    9   45 f   19.679   1.7376   53.196   9.0896   56.691   11.204   46.470   15.546   20.220   2.0934   17.844   3.3670 2.376535 3.964743 
1 1 1   19    9   46 o   10.042   3.1332   14.344   9.3701   7.1247   11.467   28.851   16.255   8.6398   3.3890   13.831   4.0899 -5.191263 5.311518 
1 1 1   19    9   47 o   31.516   1.1415  134.541   9.6632  133.423   12.283  136.356   15.653   31.300   1.4611   31.456   1.8610 -0.1555119 2.366021 
1 1 1   19    9   48 o   6.1324   2.8143  -6.2975   10.547 -27.7479   17.963   4.9885   13.029   6.5557   3.1904   8.5137   3.5141 -1.957992 4.746283 
1 1 1   19    9   49 o   8.5596   3.6415   3.2853   14.656   0.0208   17.833   10.080   25.728   8.8358   3.8857   11.307   4.8178 -2.470857 6.189477 
1 1 1   19    9   50 o   16.210   3.1309   39.701   13.138   34.292   18.899   44.760   18.276   14.385   4.4436   16.617   4.1162 -2.231575 6.057066 
1 1 1   19    9   51 o   9.7099   3.6288   12.835   12.733   35.234   18.732  -6.4011   17.360   14.402   4.4198   7.8852   3.6158 6.516540 5.710417 
1 1 1   19   10  -49 o   7.8913   3.8099 -27.7600   24.333   0.0000   0.0000 -27.7600   24.333  ?   ?    7.8913   3.8099 0.000000 3.809947 
1 1 1   19   10  -48 f   9.1399   3.8559   5.1348   16.207   0.0000   0.0000   5.1348   16.207  ?   ?    9.1399   3.8559 0.000000 3.855911 
1 1 1   19   10  -47 o   15.057   4.1566   35.742   17.362   0.0000   0.0000   35.742   17.362  ?   ?    15.057   4.1566 0.000000 4.156644 
1 1 1   19   10  -46 o   35.362   1.7837  171.965   16.887  163.868   24.829  178.935   23.036   33.980   2.7438   35.730   2.4146 -1.749557 3.654966 
1 1 1   19   10  -45 o   28.077   1.7995  108.304   13.499  109.765   19.390  106.930   18.803   27.923   2.6159   27.580   2.5678 0.3426075 3.665576 
1 1 1   19   10  -44 o   22.226   2.1532   68.548   12.693   70.265   18.049   66.868   17.853   22.128   3.1237   21.554   3.1793 0.5745907 4.457071 
1 1 1   19   10  -43 o   52.929   1.1050  378.456   15.709  391.846   22.182  364.984   22.250   53.710   1.5376   51.813   1.5989 1.897476 2.218269 
1 1 1   19   10  -42 o   15.768   2.4432   35.033   10.013   49.221   13.200   15.809   15.365   18.660   2.7133   11.138   4.0156 7.521713 4.846338 
1 1 1   19   10  -41 o   30.010   1.4535  122.077   11.716  107.125   14.881  146.452   19.000   27.931   1.9968   32.613   2.1817 -4.682594 2.957535 
1 1 1   19   10  -40 o   18.534   1.8662   47.285   9.1638   46.056   12.883   48.545   13.038   18.039   2.7456   18.545   2.6965 -0.5063858 3.848262 
1 1 1   19   10  -39 o   10.540   3.3399   15.537   10.606   8.4020   18.829   18.854   12.837   10.494   4.2653   11.553   3.6758 -1.058779 5.630655 
1 1 1   19   10  -38 o   38.950   1.2637  205.103   13.221  198.972   21.136  209.044   16.945   38.097   2.0734   39.242   1.6077 -1.145332 2.623677 
1 1 1   19   10  -37 o   18.660   1.7896   47.779   8.8594   57.288   12.357   37.722   12.708   20.317   2.3053   16.228   3.0270 4.088829 3.804881 
1 1 1   19   10  -36 o   21.974   1.7657   66.016   10.333   50.553   12.561   98.384   18.173   19.021   2.5207   26.621   2.5738 -7.599342 3.602571 
1 1 1   19   10  -35 o   64.495   1.0329  560.712   17.894  565.188   25.143  556.119   25.471   64.636   1.4483   64.105   1.4793 0.5307846 2.070235 
1 1 1   19   10  -34 o   20.613   1.6101   57.882   8.8431   52.224   12.032   64.530   13.041   19.411   2.3561   21.624   2.2797 -2.213562 3.278439 
1 1 1   19   10  -33 o   12.225   3.1157   21.443   10.261   37.565   14.868   6.7838   14.178   16.129   3.5301   9.3534   3.7364 6.775567 5.140299 
1 1 1   19   10  -32 o   14.127   2.2060   27.797   8.0970   26.923   10.948   28.852   12.031   13.720   3.0499   14.177   3.2314 -0.4571962 4.443383 
1 1 1   19   10  -31 f   19.165   1.8297   50.216   9.3041   50.805   12.306   49.431   14.216   19.146   2.4491   18.763   2.9155 0.3832340 3.807647 
1 1 1   19   10  -30 o   54.883   1.1674  405.952   17.209  390.967   20.633  440.200   31.193   53.813   1.4276   56.944   2.0395 -3.130962 2.489458 
1 1 1   19   10  -29 o   48.837   1.1553  321.382   15.155  340.054   27.146  312.929   18.266   50.064   2.0188   48.151   1.4123 1.913326 2.463781 
1 1 1   19   10  -28 o   24.003   1.3633   77.967   8.7529   77.933   12.090   78.005   12.689   23.913   1.8980   23.906   1.9944 0.7146835E-02 2.753155 
1 1 1   19   10  -27 o   10.901   2.6398   16.852   7.6468   21.599   10.912   12.270   10.719   12.313   3.2513   9.8240   3.3691 2.489096 4.682067 
1 1 1   19   10  -26 o   39.105   1.0550  205.864   11.081  209.070   15.629  202.623   15.713   39.363   1.4782   38.748   1.5098 0.6155510 2.112976 
1 1 1   19   10  -25 o   9.3883   3.2350   11.051   9.8889   22.834   14.094  -0.3737   13.878   12.764   3.8162   8.1969   3.5167 4.566829 5.189485 
1 1 1   19   10  -24 f   17.152   1.9704   40.311   8.9128   30.016   15.522   45.375   10.886   14.495   3.9010   18.154   2.2832 -3.658740 4.520049 
1 1 1   19   10  -23 f   8.3801   2.7580   9.1499   7.1906   9.0025   10.079   9.3027   10.262   8.9284   3.2471   9.0403   3.2783 -0.1118956 4.614188 
1 1 1   19   10  -22 o   36.998   1.0440  184.158   10.375  187.809   14.653  180.488   14.691   37.332   1.4613   36.594   1.4947 0.7376823 2.090361 
1 1 1   19   10  -21 o   62.675   1.0229  528.368   17.219  544.420   22.602  506.162   26.584   63.587   1.3234   61.273   1.6153 2.314110 2.088200 
1 1 1   19   10  -20 o   9.2878   1.9750   12.088   4.7752   12.676   6.4636   11.381   7.0854   9.5033   2.4990   9.0993   2.7024 0.4039230 3.680797 
1 1 1   19   10  -19 o   41.393   0.9206  230.352   10.235  234.324   12.786  223.268   17.076   41.736   1.1406   40.709   1.5617 1.026737 1.933897 
1 1 1   19   10  -18 o   59.233   0.7813  471.543   12.430  476.672   21.895  469.103   15.100   59.508   1.3699   59.069   0.9517 0.4390869 1.668040 
1 1 1   19   10  -17 o   41.066   0.8044  226.646   8.8726  230.846   14.250  223.988   11.338   41.420   1.2809   40.814   1.0343 0.6062927 1.646367 
1 1 1   19   10  -16 o   62.215   0.8153  520.197   13.624  573.562   25.640  499.202   16.083   65.274   1.4625   60.936   0.9826 4.338284 1.761939 
1 1 1   19   10  -15 o   46.208   0.7648  286.929   9.4925  300.237   14.316  276.487   12.681   47.250   1.1281   45.348   1.0411 1.902763 1.535077 
1 1 1   19   10  -14 o   69.905   0.8548  656.756   16.050  655.358   22.603  658.179   22.794   69.805   1.2056   69.954   1.2132 -0.1494064 1.710311 
1 1 1   19   10  -13 o  112.087   1.0471  1689.05   31.523  1719.57   47.252  1664.58   42.315  113.020   1.5566  111.221   1.4165 1.798843 2.104606 
1 1 1   19   10  -12 o   91.212   0.9160  1118.19   22.440  1095.67   32.991  1137.59   30.613   90.244   1.3611   91.969   1.2393 -1.724159 1.840735 
1 1 1   19   10  -11 o   67.869   0.8417  619.003   15.343  627.313   21.817  610.872   21.582   68.300   1.1893   67.399   1.1922 0.9011841 1.683949 
1 1 1   19   10  -10 o   36.520   0.7859  179.215   7.7090  172.267   9.9067  189.881   12.274   35.798   1.0303   37.576   1.2161 -1.778446 1.593914 
1 1 1   19   10   -9 o   88.660   0.9980  1056.60   23.767  1055.20   31.903  1058.34   35.626   88.570   1.3411   88.684   1.4956 -0.1140823 2.008848 
1 1 1   19   10   -8 o   98.155   1.0008  1295.00   26.384  1272.70   33.764  1329.98   42.284   97.278   1.2923   99.406   1.5837 -2.128479 2.044008 
1 1 1   19   10   -7 o   50.164   0.7819  338.129   10.535  345.513   13.784  327.758   16.336   50.700   1.0122   49.370   1.2320 1.330341 1.594485 
1 1 1   19   10   -6 o   64.199   0.8192  553.810   14.126  548.374   18.222  561.998   22.363   63.871   1.0622   64.645   1.2880 -0.7740707 1.669469 
1 1 1   19   10   -5 o   34.529   0.8221  160.202   7.6239  154.941   9.9506  167.680   11.864   33.950   1.0912   35.312   1.2508 -1.362617 1.659940 
1 1 1   19   10   -4 o   49.259   0.7188  325.995   9.5100  325.925   13.562  326.063   13.339   49.243   1.0254   49.254   1.0083 -0.1109314E-01 1.438101 
1 1 1   19   10   -3 o   44.342   0.7199  264.163   8.5740  265.071   12.308  263.307   11.950   44.408   1.0319   44.261   1.0052 0.1470337 1.440618 
1 1 1   19   10   -2 o   93.226   0.8859  1167.90   22.183  1143.43   31.119  1193.18   31.630   92.214   1.2564   94.200   1.2501 -1.985321 1.772388 
1 1 1   19   10   -1 o  118.616   1.0411  1891.14   33.169  1879.27   46.765  1903.15   47.052  118.191   1.4731  118.940   1.4728 -0.7487946 2.083122 
1 1 1   19   10    0 o   37.497   0.8822  188.943   8.8849  191.758   12.358  185.931   12.783   37.765   1.2184   37.184   1.2799 0.5805550 1.767067 
1 1 1   19   10    1 o   71.292   0.7800  682.902   14.935  675.249   21.153  690.510   21.090   70.874   1.1112   71.671   1.0956 -0.7973785 1.560460 
1 1 1   19   10    2 o  117.346   1.0797  1850.99   34.031  1827.78   50.230  1870.68   46.267  116.542   1.6047  117.922   1.4608 -1.380859 2.170005 
1 1 1   19   10    3 o   51.192   0.7572  352.104   10.412  352.004   15.598  352.185   13.983   51.170   1.1349   51.188   1.0170 -0.1841354E-01 1.523956 
1 1 1   19   10    4 o   56.719   0.7700  432.240   11.730  422.490   17.576  440.069   15.750   56.058   1.1673   57.219   1.0248 -1.161674 1.553359 
1 1 1   19   10    5 o   42.394   0.8038  241.489   9.1529  235.735   14.747  245.094   11.673   41.867   1.3114   42.702   1.0178 -0.8351517 1.660046 
1 1 1   19   10    6 o   22.419   1.0642   67.566   6.4086   71.411   10.897   65.533   7.9238   22.960   1.7809   22.032   1.3455 0.9279461 2.231987 
1 1 1   19   10    7 o   54.211   0.7666  394.875   11.162  390.891   16.750  398.057   14.970   53.920   1.1566   54.418   1.0242 -0.4987221 1.544916 
1 1 1   19   10    8 o   29.522   0.8229  117.115   6.5247  124.487   9.2993  109.966   9.1569   30.429   1.1378   28.597   1.1921 1.831263 1.647983 
1 1 1   19   10    9 o   11.243   1.7293   17.415   5.0548   13.978   7.1047   20.938   7.1932   9.9903   2.6166   12.266   2.2669 -2.275355 3.462032 
1 1 1   19   10   10 o   51.920   0.7354  362.195   10.255  356.928   14.412  367.597   14.596   51.528   1.0413   52.293   1.0392 -0.7645988 1.471143 
1 1 1   19   10   11 o   15.073   1.3438   30.804   5.3834   25.975   7.3165   36.504   7.9494   13.732   2.0462   16.359   1.8413 -2.626546 2.752660 
1 1 1   19   10   12 o   84.365   0.8861  956.562   20.080  978.135   27.391  931.500   29.523   85.284   1.1957   83.214   1.3209 2.070564 1.781752 
1 1 1   19   10   13 o   67.745   0.8935  616.821   16.258  626.641   24.105  608.627   22.020   68.250   1.3149   67.270   1.2187 0.9800339 1.792857 
1 1 1   19   10   14 o   38.515   0.9178  199.383   9.4942  214.220   12.579  179.741   14.473   39.911   1.1734   36.543   1.4746 3.367664 1.884488 
1 1 1   19   10   15 o   32.489   1.1166  141.943   9.7437  135.271   10.972  166.841   21.195   31.709   1.2882   35.079   2.2616 -3.370039 2.602793 
1 1 1   19   10   16 o   63.750   0.9118  546.288   15.612  541.388   22.754  550.647   21.461   63.430   1.3356   63.978   1.2489 -0.5481224 1.828522 
1 1 1   19   10   17 o   72.100   0.8884  698.759   17.204  700.910   23.915  696.452   24.769   72.179   1.2336   71.945   1.2818 0.2349701 1.778937 
1 1 1   19   10   18 o   79.984   0.8811  859.979   18.928  860.465   27.743  859.556   25.890   79.963   1.2917   79.931   1.2059 0.3170776E-01 1.767158 
1 1 1   19   10   19 o   37.495   0.8822  188.996   8.8844  188.122   13.305  189.699   11.935   37.384   1.3250   37.549   1.1834 -0.1650505 1.776560 
1 1 1   19   10   20 o   26.982   0.9900   97.907   7.1747  103.694   10.342   92.538   9.9615   27.715   1.3938   26.175   1.4223 1.540443 1.991353 
1 1 1   19   10   21 o   74.988   0.8597  756.004   17.316  767.133   25.542  746.540   23.555   75.490   1.2597   74.481   1.1775 1.008949 1.724349 
1 1 1   19   10   22 o   49.263   0.7697  326.222   10.185  333.278   14.164  318.668   14.655   49.771   1.0595   48.663   1.1213 1.108418 1.542677 
1 1 1   19   10   23 f   43.416   0.7797  253.407   9.0925  247.157   12.417  260.631   13.351   42.856   1.0788   44.004   1.1296 -1.148335 1.561953 
1 1 1   19   10   24 f   9.1121   2.2642   11.700   5.5170   7.9901   7.2538   16.790   8.4974   8.0316   2.7705   10.901   2.8648 -2.868956 3.985306 
1 1 1   19   10   25 o   39.792   0.8637  212.963   9.2309  212.810   13.432  213.100   12.707   39.744   1.2583   39.778   1.1894 -0.3390503E-01 1.731444 
1 1 1   19   10   26 o   12.578   1.8532   21.853   6.0732   26.083   7.7111   14.941   9.8560   13.705   2.1669   10.423   3.2071 3.281165 3.870567 
1 1 1   19   10   27 o   12.673   1.9613   22.257   6.4604   25.224   8.3486   17.829   10.200   13.421   2.4044   11.249   3.2151 2.171924 4.014724 
1 1 1   19   10   28 o   19.858   1.1722   53.315   6.2245   58.361   8.1332   46.181   9.6708   20.741   1.4695   18.351   1.9941 2.389996 2.477064 
1 1 1   19   10   29 o   35.942   0.8348  173.786   8.0591  173.484   10.864  174.156   12.017   35.884   1.1272   35.941   1.2449 -0.5684662E-01 1.679364 
1 1 1   19   10   30 o   24.915   1.0322   83.597   6.9071   95.677   9.1887   67.902   10.473   26.634   1.2845   22.328   1.7607 4.306248 2.179401 
1 1 1   19   10   31 f   27.876   1.1999  104.769   8.9839  116.491   13.022   94.123   12.411   29.296   1.6618   26.304   1.7669 2.991598 2.425545 
1 1 1   19   10   32 o   35.519   0.9210  169.840   8.7865  170.259   11.631  169.283   13.411   35.530   1.2188   35.403   1.4103 0.1275482 1.863968 
1 1 1   19   10   33 o   17.585   1.5113   42.121   7.0688   50.281   8.7323   26.609   12.040   19.190   1.7122   13.587   3.3261 5.602880 3.740911 
1 1 1   19   10   34 o   43.540   0.8791  255.228   10.281  261.022   13.233  246.406   16.328   43.997   1.1198   42.694   1.4239 1.303181 1.811515 
1 1 1   19   10   35 o   49.471   0.8481  329.505   11.269  332.651   14.877  325.271   17.260   49.661   1.1153   49.067   1.3097 0.5943336 1.720247 
1 1 1   19   10   36 o   4.4346   2.0770  -6.1281   6.2045  -9.3019   7.3403   1.8141   11.612   4.5624   2.1731   7.7895   3.2738 -3.227110 3.929378 
1 1 1   19   10   37 o   44.271   0.9494  264.160   11.290  270.086   15.071  256.582   17.041   44.705   1.2552   43.525   1.4577 1.179523 1.923638 
1 1 1   19   10   38 o   46.212   0.8854  287.742   10.990  296.271   14.168  274.858   17.413   46.845   1.1260   45.045   1.4392 1.799877 1.827373 
1 1 1   19   10   39 o   28.418   1.0970  109.015   8.3731  110.043   11.700  107.936   11.988   28.441   1.5374   28.153   1.5919 0.2875290 2.213030 
1 1 1   19   10   40 o   21.786   1.3441   64.482   7.8266   64.214   10.472   64.820   11.781   21.637   1.8187   21.680   2.0473 -0.4296494E-01 2.738479 
1 1 1   19   10   41 o   41.315   0.9421  230.136   10.454  227.858   14.911  232.338   14.660   41.025   1.3533   41.435   1.3173 -0.4100723 1.888538 
1 1 1   19   10   42 o   24.642   1.1374   82.032   7.5280   82.315   9.8506   81.633   11.672   24.588   1.4988   24.414   1.7925 0.1738224 2.336551 
1 1 1   19   10   43 o   36.568   0.8651  180.231   8.4970  167.821   10.702  201.394   13.976   35.241   1.1306   38.556   1.3496 -3.314095 1.760597 
1 1 1   19   10   44 o   49.792   0.9885  334.670   13.220  321.736   17.195  353.364   20.673   48.725   1.3139   50.990   1.5095 -2.265293 2.001203 
1 1 1   19   10   45 o   36.859   1.0827  183.711   10.719  188.326   12.799  172.874   19.616   37.268   1.2786   35.376   2.0735 1.892197 2.436045 
1 1 1   19   10   46 o   10.793   2.7252   17.044   7.9017   14.071   9.0144   26.907   16.418   9.8922   3.0710   13.295   4.1474 -3.402655 5.160632 
1 1 1   19   10   47 o   20.391   2.4692   59.209   13.248   57.405   20.565   60.488   17.320   19.170   4.1171   20.180   3.3102 -1.010487 5.282771 
1 1 1   19   10   48 f   8.0077   3.3450   3.8109   12.009  -1.5693   16.608   9.7077   17.386   8.3655   3.7109   10.016   4.0880 -1.650911 5.521152 
1 1 1   19   10   49 o   8.5839   3.5593   5.6821   13.456   0.6460   17.011   14.100   21.993   8.6381   3.7970   11.135   4.5773 -2.496959 5.947178 
1 1 1   19   10   50 o   22.521   2.2753   72.781   13.574   70.726   19.605   74.672   18.813   21.276   3.5563   22.105   3.2671 -0.8290424 4.829190 
1 1 1   19   10   51 o   17.907   2.9111   48.643   13.520   42.327   20.180   53.787   18.212   15.421   4.5561   18.099   3.8640 -2.677279 5.973990 
1 1 1   19   11  -48 f   15.586   5.2760   43.670   26.283   0.0000   0.0000   43.670   26.283  ?   ?    15.586   5.2760 0.000000 5.275978 
1 1 1   19   11  -47 o   14.271   4.2559   32.934   17.545   0.0000   0.0000   32.934   17.545  ?   ?    14.271   4.2559 0.000000 4.255885 
1 1 1   19   11  -46 f   10.842   4.1018   15.202   16.375   0.0000   0.0000   15.202   16.375  ?   ?    10.842   4.1018 0.000000 4.101798 
1 1 1   19   11  -45 o   14.350   3.4580   31.054   13.171   41.445   18.674   20.766   18.581   16.268   4.2332   12.165   4.4113 4.102418 6.113835 
1 1 1   19   11  -44 o   7.3902   3.2027  -0.3132   11.739  -5.9131   16.741   5.1046   16.466   8.0726   3.6421   9.3853   3.9183 -1.312639 5.349595 
1 1 1   19   11  -43 o   36.115   1.5440  177.464   14.977  187.003   21.637  168.689   20.753   36.768   2.2011   34.904   2.2253 1.864250 3.129952 
1 1 1   19   11  -42 o   25.999   1.4809   92.067   10.298   91.072   14.284   93.144   14.860   25.680   2.0890   25.951   2.1513 -0.2709904 2.998709 
1 1 1   19   11  -41 o   31.757   1.3838  136.668   11.803  142.486   15.508  128.657   18.198   32.278   1.7958   30.515   2.2359 1.763247 2.867786 
1 1 1   19   11  -40 o   7.2890   2.9614   3.4067   9.0712   2.9992   11.373   4.1191   15.038   7.8909   3.2722   9.0252   3.7543 -1.134223 4.980153 
1 1 1   19   11  -39 o   18.236   1.9346   45.903   9.3311   34.106   13.184   57.744   13.209   15.294   3.3058   20.319   2.4712 -5.024993 4.127347 
1 1 1   19   11  -38 o   14.214   2.8489   29.025   10.497   13.518   17.866   37.202   12.973   11.102   4.2642   16.052   3.1214 -4.950092 5.284508 
1 1 1   19   11  -37 o   11.324   3.1065   18.527   9.7333  -1.2989   16.100   29.948   12.219   8.5502   3.7277   14.342   3.2475 -5.792055 4.943887 
1 1 1   19   11  -36 o   26.916   1.3803   98.327   9.9455  124.054   14.167   73.330   13.965   30.149   1.7572   23.009   2.2901 7.139679 2.886559 
1 1 1   19   11  -35 o   21.260   1.7691   61.866   10.010   66.080   12.280   53.519   17.282   21.891   2.1148   19.249   3.4703 2.641865 4.063967 
1 1 1   19   11  -34 f   10.996   2.7455   17.334   8.0841   13.006   11.037   22.343   11.874   9.9759   3.4188   12.430   3.4399 -2.453673 4.849867 
1 1 1   19   11  -33 o   16.700   1.9430   38.436   8.5527   32.735   11.852   44.631   12.355   15.126   3.0229   17.831   2.6610 -2.705237 4.027271 
1 1 1   19   11  -32 o   33.613   1.2751  152.537   11.512  130.088   17.816  168.626   15.083   30.817   2.1662   35.290   1.5913 -4.473234 2.687886 
1 1 1   19   11  -31 o   17.761   1.8315   43.240   8.6118   48.281   11.984   37.857   12.383   18.638   2.4536   16.347   2.9279 2.291393 3.820037 
1 1 1   19   11  -30 o   31.302   1.3333  132.266   11.209  132.401   14.943  132.093   16.951   31.204   1.7904   31.110   2.0399 0.9346581E-01 2.714190 
1 1 1   19   11  -29 o   32.169   1.2491  139.580   10.793  137.452   14.156  142.534   16.679   31.828   1.6616   32.356   1.9279 -0.5280361 2.545190 
1 1 1   19   11  -28 o   16.003   2.6116   35.872   10.838   47.739   16.230   26.320   14.561   18.297   3.4284   13.546   3.8310 4.751224 5.141100 
1 1 1   19   11  -27 o   23.040   1.3896   71.898   8.5589   80.812   12.193   63.240   12.017   24.350   1.8789   21.478   2.1104 2.871820 2.825578 
1 1 1   19   11  -26 o   34.838   1.0952  163.473   10.248  153.110   14.349  174.261   14.640   33.661   1.5871   35.920   1.5174 -2.259331 2.195782 
1 1 1   19   11  -25 o   25.357   1.3167   86.929   8.9368   89.623   12.456   84.071   12.829   25.671   1.8183   24.837   1.9385 0.8333817 2.657810 
1 1 1   19   11  -24 o   17.614   2.2206   42.763   10.272   56.369   14.452   28.873   14.602   20.144   2.7424   14.189   3.7682 5.955161 4.660470 
1 1 1   19   11  -23 o   65.422   1.1101  576.284   19.507  584.001   31.365  571.417   24.910   65.727   1.7767   65.091   1.4248 0.6355209 2.277472 
1 1 1   19   11  -22 o   40.006   0.9361  215.310   10.058  208.528   15.225  220.562   13.398   39.325   1.4415   40.466   1.2327 -1.140953 1.896708 
1 1 1   19   11  -21 o   79.227   0.9116  844.250   19.398  855.651   27.576  833.082   27.292   79.700   1.2882   78.641   1.2921 1.058830 1.824534 
1 1 1   19   11  -20 o   69.070   0.8683  641.505   16.109  637.489   22.677  645.595   22.888   68.809   1.2270   69.245   1.2306 -0.4355850 1.737810 
1 1 1   19   11  -19 o   70.028   0.7782  659.213   14.638  657.722   22.996  660.229   18.979   69.899   1.2249   70.059   1.0086 -0.1599503 1.586684 
1 1 1   19   11  -18 o  125.041   1.0882  2103.47   36.548  2092.71   56.627  2111.15   47.849  124.565   1.6925  125.191   1.4230 -0.6257782 2.211250 
1 1 1   19   11  -17 f  102.448   1.0415  1411.67   28.658  1415.53   40.616  1407.83   40.442  102.510   1.4752  102.231   1.4729 0.2787704 2.084559 
1 1 1   19   11  -16 o   81.144   0.9153  885.243   19.948  877.300   28.119  893.291   28.303   80.734   1.2967   81.467   1.2935 -0.7328949 1.831573 
1 1 1   19   11  -15 f   58.888   0.9118  466.194   14.421  488.327   23.500  452.824   18.265   60.220   1.4529   58.017   1.1721 2.203362 1.866773 
1 1 1   19   11  -14 o   53.569   0.7519  385.638   10.818  408.255   15.958  366.402   14.717   55.097   1.0783   52.198   1.0497 2.898613 1.504852 
1 1 1   19   11  -13 o   35.104   0.7873  165.613   7.4232  149.710   10.862  179.549   10.168   33.360   1.2123   36.542   1.0360 -3.182037 1.594651 
1 1 1   19   11  -12 o   30.723   0.8373  126.859   6.9095  132.957   10.315  121.895   9.3059   31.438   1.2215   30.105   1.1509 1.333391 1.678293 
1 1 1   19   11  -11 o   31.636   0.7680  134.497   6.5255  137.431   9.0664  131.342   9.3996   31.970   1.0558   31.252   1.1198 0.7186470 1.539077 
1 1 1   19   11  -10 o   74.047   0.8313  736.885   16.534  719.566   24.346  751.708   22.525   73.139   1.2393   74.766   1.1217 -1.626709 1.671541 
1 1 1   19   11   -9 o   42.768   0.7814  245.795   8.9765  248.965   11.677  241.213   14.035   43.034   1.0102   42.347   1.2340 0.6863251 1.594766 
1 1 1   19   11   -8 o   45.356   0.7863  276.448   9.5795  278.005   13.884  275.034   13.234   45.468   1.1369   45.227   1.0894 0.2411385 1.574601 
1 1 1   19   11   -7 o   82.803   0.8317  921.415   18.496  915.334   26.075  927.573   26.241   82.501   1.1767   83.051   1.1764 -0.5497894 1.663910 
1 1 1   19   11   -6 o   31.037   0.7830  129.443   6.5270  121.473   9.3032  137.169   9.1597   30.056   1.1524   31.941   1.0677 -1.885721 1.570984 
1 1 1   19   11   -5 o   46.632   0.7177  292.180   8.9892  291.642   12.728  292.715   12.698   46.577   1.0174   46.663   1.0131 -0.8584213E-01 1.435775 
1 1 1   19   11   -4 f   83.651   0.8359  940.376   18.782  943.140   26.594  937.625   26.530   83.746   1.1823   83.501   1.1829 0.2452698 1.672452 
1 1 1   19   11   -3 o   77.994   0.8096  817.431   16.960  813.327   23.920  821.581   24.052   77.773   1.1451   78.167   1.1456 -0.3936081 1.619768 
1 1 1   19   11   -2 o   91.835   0.9619  1133.59   23.727  1138.80   30.754  1125.93   37.294   92.018   1.2444   91.464   1.5181 0.5542068 1.962893 
1 1 1   19   11   -1 o   66.344   0.8921  591.544   15.897  595.947   19.338  582.364   27.922   66.578   1.0814   65.774   1.5805 0.8044510 1.915047 
1 1 1   19   11    0 o   32.923   0.8642  145.667   7.6418  141.997   9.9784  150.873   11.884   32.497   1.1432   33.490   1.3211 -0.9933395 1.747106 
1 1 1   19   11    1 o   16.334   1.3434   36.135   5.8416   38.261   7.6773   33.212   9.0025   16.767   1.7296   15.535   2.2208 1.232088 2.814858 
1 1 1   19   11    2 o   71.976   0.8620  696.219   16.664  703.243   21.628  685.958   26.142   72.321   1.1134   71.406   1.3630 0.9152145 1.759970 
1 1 1   19   11    3 o   27.105   0.9917   98.761   7.2198   86.809   9.6112  114.238   10.937   25.361   1.4167   29.139   1.3975 -3.777842 1.989961 
1 1 1   19   11    4 f   74.921   1.0536  754.625   21.201  743.551   32.387  762.930   28.046   74.315   1.6226   75.303   1.3867 -0.9878464 2.134379 
1 1 1   19   11    5 o   92.278   1.0903  1144.87   27.023  1132.85   38.100  1157.05   38.335   91.738   1.5463   92.714   1.5394 -0.9755783 2.181910 
1 1 1   19   11    6 o   60.065   0.8731  484.872   14.086  480.458   18.934  490.345   21.081   59.772   1.1794   60.375   1.3000 -0.6029892 1.755237 
1 1 1   19   11    7 o   38.292   0.8429  197.051   8.6689  192.298   12.277  201.777   12.242   37.813   1.2088   38.735   1.1767 -0.9222145 1.686979 
1 1 1   19   11    8 o   58.738   0.8225  463.666   12.977  474.278   18.544  453.482   18.166   59.386   1.1626   58.070   1.1647 1.316738 1.645655 
1 1 1   19   11    9 o   54.757   0.7721  402.913   11.355  398.130   15.262  408.844   16.995   54.417   1.0442   55.138   1.1476 -0.7208252 1.551543 
1 1 1   19   11   10 o   65.361   0.8043  574.118   14.120  569.838   18.977  579.427   21.135   65.099   1.0853   65.635   1.1989 -0.5363693 1.617182 
1 1 1   19   11   11 o   20.174   1.0722   54.882   5.7889   56.985   7.9947   52.564   8.3934   20.524   1.4598   19.692   1.6008 0.8318672 2.166462 
1 1 1   19   11   12 o   96.418   0.9141  1249.64   23.673  1262.32   33.578  1237.12   33.381   96.860   1.2907   95.888   1.2961 0.9723053 1.829138 
1 1 1   19   11   13 o   50.448   0.8153  342.044   11.048  335.811   14.220  351.533   17.546   49.973   1.0595   51.114   1.2780 -1.141205 1.660067 
1 1 1   19   11   14 o   47.253   0.8985  300.158   11.404  301.895   14.128  296.911   19.316   47.377   1.1103   46.953   1.5317 0.4243317 1.891759 
1 1 1   19   11   15 f   40.264   0.8039  217.892   8.6933  211.919   11.525  225.777   13.241   39.695   1.0810   40.965   1.2035 -1.270035 1.617660 
1 1 1   19   11   16 o   59.007   0.8836  468.076   14.003  467.644   18.760  468.619   21.043   58.955   1.1847   59.002   1.3278 -0.4734039E-01 1.779531 
1 1 1   19   11   17 f   80.600   0.9222  873.472   19.964  869.377   28.067  877.665   28.402   80.363   1.3003   80.744   1.3096 -0.3807602 1.845513 
1 1 1   19   11   18 o   36.236   0.9297  176.565   9.0487  162.883   12.936  189.673   12.662   34.777   1.3849   37.537   1.2559 -2.760704 1.869551 
1 1 1   19   11   19 o   52.946   0.8068  376.866   11.474  380.476   16.878  373.763   15.646   53.168   1.1819   52.704   1.1053 0.4637871 1.618149 
1 1 1   19   11   20 o   35.951   0.8486  173.789   8.1941  169.374   12.105  177.523   11.132   35.464   1.2708   36.317   1.1412 -0.8528595 1.708046 
1 1 1   19   11   21 o   26.271   1.0520   92.877   7.4235  104.746   10.487   80.956   10.510   27.842   1.4069   24.442   1.6099 3.400030 2.138045 
1 1 1   19   11   22 o   55.275   0.8279  410.863   12.291  408.981   17.741  412.599   17.043   55.107   1.1986   55.357   1.1463 -0.2498741 1.658512 
1 1 1   19   11   23 o   55.858   0.8662  419.678   12.995  410.331   17.974  429.917   18.811   55.191   1.2125   56.489   1.2398 -1.297829 1.734127 
1 1 1   19   11   24 o   60.400   0.8240  490.671   13.367  484.622   17.667  498.773   20.445   59.992   1.0964   60.837   1.2512 -0.8450241 1.663602 
1 1 1   19   11   25 o   45.180   0.8373  274.578   10.160  276.736   13.316  271.572   15.717   45.331   1.0937   44.879   1.3039 0.4514580 1.701864 
1 1 1   19   11   26 o   37.605   0.9820  190.362   9.9183  191.524   12.684  188.534   15.912   37.691   1.2529   37.352   1.5861 0.3388023 2.021215 
1 1 1   19   11   27 o   28.582   0.9818  109.983   7.5369  106.702   9.7130  114.948   11.948   28.128   1.2857   29.129   1.5326 -1.001188 2.000440 
1 1 1   19   11   28 o   20.845   1.2816   58.829   7.1410   53.493   9.2860   66.553   11.171   19.799   1.7647   22.076   1.9026 -2.276411 2.595010 
1 1 1   19   11   29 o   31.039   0.9948  129.736   8.2937  145.687   10.997  108.694   12.630   32.866   1.2457   28.292   1.6695 4.574080 2.083051 
1 1 1   19   11   30 o   26.534   1.1023   94.885   7.8560   92.032   10.135   99.181   12.435   26.058   1.4538   27.006   1.7233 -0.9477081 2.254644 
1 1 1   19   11   31 o   45.339   0.8522  276.678   10.378  288.408   13.549  260.024   16.144   46.258   1.0905   43.876   1.3699 2.381290 1.750934 
1 1 1   19   11   32 o   10.312   2.2510   15.062   6.0594   10.076   7.7608   22.848   9.6981   8.7115   2.8652   12.628   2.9180 -3.916059 4.089509 
1 1 1   19   11   33 o   32.650   1.0243  143.685   8.9828  153.187   11.940  131.291   13.636   33.672   1.3202   31.080   1.6392 2.591860 2.104758 
1 1 1   19   11   34 f   41.777   0.9249  235.140   10.378  241.579   13.523  225.915   16.186   42.301   1.1902   40.849   1.4753 1.452053 1.895559 
1 1 1   19   11   35 o   15.844   1.6299   34.417   6.8373   32.090   8.3367   39.199   11.950   15.189   2.0997   16.628   2.7734 -1.439242 3.478517 
1 1 1   19   11   36 o   45.904   0.9693  284.101   11.951  288.893   15.558  277.202   18.667   46.228   1.2530   45.208   1.5373 1.019932 1.983251 
1 1 1   19   11   37 o   28.083   1.0310  106.401   7.7762  106.880   10.086  105.699   12.211   28.101   1.3362   27.845   1.6400 0.2567902 2.115443 
1 1 1   19   11   38 o   49.004   0.8431  323.522   11.098  337.349   15.118  307.366   16.342   49.978   1.1262   47.667   1.2764 2.310951 1.702234 
1 1 1   19   11   39 o   25.077   1.1570   84.968   7.7929   92.198   9.9612   73.562   12.511   26.043   1.4295   23.103   2.0371 2.940147 2.488656 
1 1 1   19   11   40 o   39.232   0.9138  207.489   9.6294  208.760   12.478  205.617   15.142   39.301   1.1820   38.942   1.4476 0.3588982 1.868934 
1 1 1   19   11   41 o   17.282   1.5654   40.895   7.1871   46.067   9.2027   32.808   11.508   18.271   1.9032   15.089   2.9452 3.182005 3.506672 
1 1 1   19   11   42 o   21.309   1.3167   61.745   7.4990   54.268   9.3987   74.843   12.440   19.868   1.7801   23.290   2.0083 -3.422232 2.683655 
1 1 1   19   11   43 o   37.079   1.1131  185.898   11.086  190.164   14.428  179.750   17.320   37.418   1.4356   36.271   1.7779 1.147511 2.285136 
1 1 1   19   11   44 o   14.887   2.1304   31.155   8.2755   41.315   10.290   12.547   13.926   17.127   2.2944   10.161   3.7954 6.965874 4.435030 
1 1 1   19   11   45 o   36.585   1.8693  184.626   18.307  189.795   25.578  179.199   26.212   36.638   2.6165   35.488   2.7720 1.150173 3.811837 
1 1 1   19   11   46 f   8.2026   3.4282   3.8426   12.623   13.796   18.594  -4.6668   17.192   10.894   4.3019   8.2073   3.6980 2.686588 5.672882 
1 1 1   19   11   47 o   10.288   3.8312   14.152   14.169   3.3838   18.174   30.840   22.625   9.2724   4.0016   13.795   4.8835 -4.522718 6.313570 
1 1 1   19   11   48 f   12.449   3.5802   24.374   12.612   63.273   17.499 -17.6654   18.192   20.391   3.3085   7.1715   3.4173 13.21926 4.756512 
1 1 1   19   11   49 o   6.7268   3.0392  -3.5252   11.705  -3.2130   17.423  -3.7820   15.803   8.1884   3.7030   7.7652   3.5177 0.4232063 5.107524 
1 1 1   19   11   50 o   7.4666   3.2706   0.7575   12.524   2.4930   19.420  -0.4785   16.388   9.0711   4.0189   8.1782   3.6533 0.8928499 5.431246 
1 1 1   19   12  -47 o   14.999   5.2536   40.500   26.131   0.0000   0.0000   40.500   26.131  ?   ?    14.999   5.2536 0.000000 5.253563 
1 1 1   19   12  -46 o   8.2303   3.6995  -3.3559   17.086   0.0000   0.0000  -3.3559   17.086  ?   ?    8.2303   3.6995 0.000000 3.699500 
1 1 1   19   12  -45 o   7.0440   3.3440 -16.8769   17.097   0.0000   0.0000 -16.8769   17.097  ?   ?    7.0440   3.3440 0.000000 3.344018 
1 1 1   19   12  -44 o   21.825   2.3979   67.391   13.825   62.482   19.671   72.183   19.434   20.302   3.7455   22.072   3.3863 -1.770481 5.049325 
1 1 1   19   12  -43 o   14.057   3.1948   29.285   11.789   25.320   16.528   33.392   16.820   12.990   4.1749   14.729   4.1006 -1.738501 5.851866 
1 1 1   19   12  -42 o   28.015   1.8005  107.799   13.476  105.472   18.595  110.373   19.557   27.404   2.5559   28.002   2.6311 -0.5982666 3.668132 
1 1 1   19   12  -41 o   9.5748   3.1901   12.501   9.6091   16.378   15.634   10.148   12.182   11.218   4.0496   9.4297   3.5444 1.788116 5.381632 
1 1 1   19   12  -40 o   21.508   1.7584   63.480   10.069   52.219   13.154   79.414   15.648   19.237   2.6136   23.838   2.4802 -4.601265 3.603072 
1 1 1   19   12  -39 o   23.890   1.6650   78.023   10.617   88.153   13.442   61.226   17.309   25.307   1.9938   20.634   3.2292 4.673035 3.795102 
1 1 1   19   12  -38 o   15.533   2.1670   33.712   8.7949   32.221   12.541   35.155   12.337   14.866   3.2330   15.599   3.0538 -0.7332602 4.447281 
1 1 1   19   12  -37 o   26.545   1.6982   96.276   12.044  117.362   21.802   87.016   14.448   28.897   2.8460   25.094   2.1648 3.802191 3.575784 
1 1 1   19   12  -36 o   14.889   2.6128   31.513   10.067   30.625   16.774   32.013   12.586   14.346   4.1299   14.822   3.2510 -0.4752474 5.255937 
1 1 1   19   12  -35 o   37.524   1.2772  190.465   12.872  204.516   21.077  182.107   16.256   38.618   2.0393   36.602   1.6536 2.015465 2.625428 
1 1 1   19   12  -34 o   49.284   1.1921  328.156   15.779  329.329   19.698  326.055   26.362   49.289   1.4879   48.857   2.0089 0.4324303 2.499915 
1 1 1   19   12  -33 o   11.647   2.7317   19.480   8.3975   18.789   11.783   20.192   11.971   11.488   3.5016   11.857   3.5108 -0.3682089 4.958515 
1 1 1   19   12  -32 o   7.9365   2.8739   7.3629   7.8828   1.8167   10.647   14.090   11.726   7.4999   3.1426   10.335   3.5240 -2.834681 4.721655 
1 1 1   19   12  -31 o   25.293   1.5939   87.013   10.773   62.073   16.899  104.087   13.982   20.949   3.0968   27.604   1.8974 -6.655237 3.631867 
1 1 1   19   12  -30 o   9.4229   2.9019   12.284   8.0672   18.394   10.994   5.1585   11.874   11.387   3.3626   8.4796   3.4080 2.906990 4.787646 
1 1 1   19   12  -29 o   57.960   1.0949  452.836   17.045  452.971   22.524  452.654   26.073   57.888   1.4487   57.803   1.6794 0.8494568E-01 2.217877 
1 1 1   19   12  -28 o   33.613   1.1801  152.359   10.654  160.365   14.879  143.934   15.263   34.424   1.6093   32.544   1.7526 1.880093 2.379363 
1 1 1   19   12  -27 o   27.423   1.8973  102.501   13.889  105.149   18.484   99.066   21.050   27.625   2.5189   26.669   2.9902 0.9559746 3.909718 
1 1 1   19   12  -26 o   41.681   1.1867  234.219   13.285  235.478   18.276  232.808   19.346   41.722   1.6309   41.464   1.7371 0.2574768 2.382758 
1 1 1   19   12  -25 o   27.104   1.0364   98.939   7.5450   85.122   8.9839  132.009   13.899   25.081   1.3384   31.194   1.6649 -6.112894 2.136190 
1 1 1   19   12  -24 f   4.0487   1.8201  -2.0107   4.1376   3.8811   5.6133  -9.0201   6.1226   6.3194   2.3990   4.0290   1.9366 2.290440 3.083054 
1 1 1   19   12  -23 o   20.306   1.1975   55.760   6.5023   52.821   8.2287   60.647   10.610   19.712   1.5672   21.076   1.8945 -1.363604 2.458707 
1 1 1   19   12  -22 o   38.569   0.8557  200.111   8.8645  197.683   12.401  202.648   12.676   38.302   1.2054   38.779   1.2171 -0.4767570 1.712965 
1 1 1   19   12  -21 o   33.929   0.9035  154.876   8.2340  149.943   11.687  159.739   11.603   33.352   1.3046   34.429   1.2548 -1.077065 1.810088 
1 1 1   19   12  -20 o   51.667   0.7921  358.966   10.992  352.619   19.870  361.764   13.195   51.130   1.4469   51.853   0.9474 -0.7232285 1.729475 
1 1 1   19   12  -19 o   13.002   1.7919   23.269   6.0914   35.664   8.7761   11.745   8.4616   16.098   2.0783   9.3579   2.9851 6.740129 3.637297 
1 1 1   19   12  -18 f   35.480   0.8241  169.264   7.8537  172.008   11.650  166.978   10.633   35.740   1.2136   35.220   1.1240 0.5196991 1.654180 
1 1 1   19   12  -17 o   45.294   0.7668  275.798   9.3287  262.891   12.206  293.927   14.466   44.204   1.0281   46.729   1.1525 -2.525505 1.544434 
1 1 1   19   12  -16 o   70.810   0.7875  674.045   14.977  687.472   21.185  660.632   21.175   71.477   1.1035   70.065   1.1252 1.411949 1.576013 
1 1 1   19   12  -15 o   62.227   0.8016  520.539   13.398  559.020   20.449  491.601   17.734   64.449   1.1813   60.447   1.0923 4.001678 1.608914 
1 1 1   19   12  -14 o   55.048   0.9058  407.447   13.392  374.434   21.129  429.613   17.314   52.717   1.4923   56.506   1.1408 -3.789227 1.878376 
1 1 1   19   12  -13 o   45.303   0.7542  275.845   9.1769  292.142   13.447  261.638   12.555   46.603   1.0743   44.104   1.0598 2.499134 1.509100 
1 1 1   19   12  -12 o   55.610   0.7734  415.641   11.552  433.289   17.511  402.043   15.371   56.751   1.1488   54.674   1.0467 2.076267 1.554152 
1 1 1   19   12  -11 o   35.025   0.8512  164.908   8.0075  174.361   11.438  155.822   11.214   36.000   1.1830   34.030   1.2269 1.969898 1.704300 
1 1 1   19   12  -10 o   88.373   0.8649  1049.81   20.531  1056.79   29.065  1042.86   29.004   88.624   1.2210   88.038   1.2266 0.5865784 1.730727 
1 1 1   19   12   -9 o   55.093   0.7351  407.884   10.878  402.392   15.253  413.569   15.517   54.702   1.0382   55.457   1.0417 -0.7542686 1.470700 
1 1 1   19   12   -8 o   43.392   0.7962  253.050   9.2799  245.252   12.067  264.338   14.518   42.706   1.0520   44.326   1.2194 -1.620525 1.610478 
1 1 1   19   12   -7 o   41.790   0.7568  234.697   8.4945  235.676   11.751  233.625   12.294   41.865   1.0450   41.679   1.0982 0.1854324 1.515929 
1 1 1   19   12   -6 o   95.724   0.9046  1231.73   23.258  1207.16   32.560  1257.34   33.233   94.720   1.2798   96.668   1.2799 -1.948746 1.810038 
1 1 1   19   12   -5 o   84.326   0.8410  955.720   19.048  966.670   27.064  944.972   26.813   84.773   1.1886   83.816   1.1910 0.9570999 1.682685 
1 1 1   19   12   -4 o   58.871   0.7703  465.754   12.180  480.478   16.816  449.503   17.667   59.777   1.0473   57.812   1.1377 1.965328 1.546403 
1 1 1   19   12   -3 o   48.913   0.7955  321.529   10.451  317.111   13.468  328.214   16.568   48.564   1.0325   49.394   1.2488 -0.8293037 1.620386 
1 1 1   19   12   -2 o   53.595   0.7313  385.984   10.527  380.472   14.918  391.451   14.858   53.195   1.0441   53.958   1.0252 -0.7631569 1.463315 
1 1 1   19   12   -1 o   39.794   0.7413  212.792   7.9228  222.219   11.506  204.294   10.925   40.653   1.0538   38.979   1.0435 1.673687 1.483041 
1 1 1   19   12    0 o   11.239   1.7008   17.399   4.9737   28.349   7.2669   7.7488   6.8220   14.372   1.9314   7.8865   2.6878 6.485923 3.309779 
1 1 1   19   12    1 o   58.178   0.7387  454.818   11.544  446.635   16.381  462.889   16.270   57.634   1.0582   58.675   1.0324 -1.041122 1.478380 
1 1 1   19   12    2 o   19.522   1.1121   51.415   5.8069   47.929   8.9132   53.986   7.6542   18.774   1.7893   19.976   1.4362 -1.201754 2.294371 
1 1 1   19   12    3 o   35.341   0.8314  167.862   7.8917  168.908   12.203  167.110   10.347   35.432   1.2822   35.252   1.0928 0.1803131 1.684721 
1 1 1   19   12    4 o   81.920   0.8695  902.012   19.132  887.473   28.368  914.143   25.913   81.215   1.3005   82.441   1.1703 -1.226189 1.749507 
1 1 1   19   12    5 o   73.382   0.8742  723.797   17.231  727.174   24.534  720.508   24.207   73.520   1.2424   73.184   1.2315 0.3366470 1.749315 
1 1 1   19   12    6 o   39.800   0.7948  212.889   8.4961  220.114   12.853  207.282   11.323   40.452   1.1829   39.261   1.0737 1.191235 1.597576 
1 1 1   19   12    7 o  105.965   1.0130  1509.77   28.830  1532.33   43.126  1491.54   38.766  106.676   1.5052  105.271   1.3711 1.405685 2.035992 
1 1 1   19   12    8 o   67.545   0.8187  613.192   14.852  617.650   22.191  609.574   19.989   67.757   1.2194   67.323   1.1055 0.4337311 1.645882 
1 1 1   19   12    9 o   60.381   0.7932  489.995   12.864  507.609   19.385  476.135   17.195   61.428   1.1749   59.501   1.0760 1.926716 1.593156 
1 1 1   19   12   10 o   44.859   0.7501  270.436   9.0382  260.520   12.558  281.093   13.019   44.013   1.0623   45.718   1.0602 -1.704945 1.500824 
1 1 1   19   12   11 o   32.971   0.8125  146.114   7.1952  155.218   10.124  136.820   10.228   33.970   1.1096   31.889   1.1942 2.080660 1.630087 
1 1 1   19   12   12 o   56.495   0.8200  429.018   12.443  431.282   16.093  425.652   19.620   56.627   1.0581   56.234   1.2990 0.3923607 1.675403 
1 1 1   19   12   13 o   33.615   0.8235  151.893   7.4351  158.446   10.278  144.698   10.769   34.319   1.1150   32.790   1.2228 1.528439 1.654807 
1 1 1   19   12   14 o   9.6294   2.1683   13.032   5.4730   16.533   7.3779   8.7494   8.1612   10.828   2.5745   8.4589   2.9375 2.369457 3.906018 
1 1 1   19   12   15 o   54.040   0.8421  392.615   12.223  367.760   15.299  436.467   20.322   52.282   1.0895   56.931   1.3290 -4.649361 1.718471 
1 1 1   19   12   16 o   47.533   0.8044  303.742   10.269  314.493   13.897  290.813   15.241   48.347   1.0702   46.478   1.2209 1.868893 1.623573 
1 1 1   19   12   17 o   18.106   1.5393   44.525   7.4152   44.312   10.310   44.752   10.672   17.962   2.1819   18.039   2.2517 -0.7722664E-01 3.135412 
1 1 1   19   12   18 f   32.239   0.8804  139.780   7.6232  141.709   10.106  137.233   11.612   32.444   1.1597   31.913   1.3547 0.5308895 1.783325 
1 1 1   19   12   19 o   27.438   0.9878  101.297   7.2798   99.280   10.385  103.246   10.208   27.097   1.4319   27.676   1.3733 -0.5784607 1.983968 
1 1 1   19   12   20 o   48.308   0.8837  313.906   11.466  324.437   15.921  302.559   16.527   49.077   1.2079   47.382   1.2986 1.694759 1.773507 
1 1 1   19   12   21 o   62.071   0.8933  518.329   14.892  528.551   23.397  511.367   19.309   62.602   1.3915   61.615   1.1668 0.9870453 1.815904 
1 1 1   19   12   22 o   22.902   1.1621   70.840   7.1248   73.661   9.9163   67.829   10.244   23.298   1.5943   22.332   1.7210 0.9655743 2.346009 
1 1 1   19   12   23 o   27.428   1.0342  101.294   7.6185   98.456   10.531  104.410   11.035   26.967   1.4593   27.769   1.4850 -0.8017998 2.081981 
1 1 1   19   12   24 f   53.851   0.8817  390.221   12.752  388.024   19.551  391.847   16.823   53.626   1.3574   53.924   1.1616 -0.2973785 1.786531 
1 1 1   19   12   25 o   21.895   1.3304   64.918   7.7870   67.406   9.8792   60.835   12.654   22.261   1.6643   21.021   2.2776 1.239847 2.820853 
1 1 1   19   12   26 o   40.881   0.8880  224.928   9.7503  240.501   12.991  204.839   14.755   42.242   1.1450   38.948   1.4104 3.293648 1.816686 
1 1 1   19   12   27 o   39.701   0.8733  212.128   9.3125  213.614   12.089  209.960   14.604   39.810   1.1306   39.433   1.3789 0.3768501 1.783125 
1 1 1   19   12   28 o   35.537   0.9306  170.041   8.8831  173.699   11.587  164.824   13.835   35.887   1.2021   34.920   1.4751 0.9666290 1.902851 
1 1 1   19   12   29 o   30.325   0.9887  123.873   8.0525  130.454   10.134  112.600   13.264   31.096   1.2133   28.773   1.7242 2.323362 2.108361 
1 1 1   19   12   30 o   23.044   1.1421   71.620   7.0691   80.691   8.9906   56.929   11.441   24.398   1.3776   20.333   2.1265 4.065319 2.533692 
1 1 1   19   12   31 o   30.892   1.0365  128.641   8.6006  117.957   10.335  152.702   15.509   29.549   1.3022   33.502   1.7295 -3.952883 2.164914 
1 1 1   19   12   32 o   28.436   1.0764  109.061   8.2212  107.840   9.8829  111.805   14.813   28.248   1.3026   28.590   1.9405 -0.3420506 2.337169 
1 1 1   19   12   33 o   18.192   1.4959   45.138   7.2446   50.811   8.6172   31.462   13.379   19.272   1.6816   14.684   3.4507 4.588112 3.838674 
1 1 1   19   12   34 o   8.3824   2.5931   9.7107   6.4336   10.488   7.8319   8.0987   11.282   8.8122   2.8773   8.8726   3.3931 -0.6034088E-01 4.448837 
1 1 1   19   12   35 o   52.098   0.9738  366.047   13.626  368.418   17.387  362.273   21.937   52.199   1.2401   51.652   1.5813 0.5467949 2.009548 
1 1 1   19   12   36 o   24.882   1.2655   83.963   8.4293   85.748   10.084   79.823   15.358   25.096   1.5030   23.949   2.4208 1.146774 2.849391 
1 1 1   19   12   37 o   5.7877   2.4322   0.8395   6.4083   4.7005   7.7129  -7.7671   11.516   7.1687   2.7884   6.3693   2.9296 0.7993207 4.044476 
1 1 1   19   12   38 o   39.667   0.9488  212.206   10.108  203.769   12.484  228.264   17.224   38.822   1.1973   40.992   1.5644 -2.169903 1.969977 
1 1 1   19   12   39 o   45.666   0.9128  281.173   11.195  287.508   14.313  271.189   17.969   46.122   1.1554   44.698   1.4968 1.424240 1.890817 
1 1 1   19   12   40 o   53.568   0.8879  386.879   12.774  399.299   16.517  368.391   20.152   54.355   1.1314   52.107   1.4399 2.248180 1.831183 
1 1 1   19   12   41 o   21.295   1.2586   61.623   7.1670   65.848   8.4834   51.089   13.395   21.976   1.4453   18.971   2.7054 3.004322 3.067311 
1 1 1   19   12   42 o   35.721   0.9929  172.337   9.5260  167.360   11.657  182.344   16.529   35.146   1.2348   36.548   1.6838 -1.401951 2.088026 
1 1 1   19   12   43 o   11.543   2.4664   19.249   7.4149   24.807   8.2596  -3.8345   16.832   13.154   2.4271   8.3049   3.7067 4.849607 4.430658 
1 1 1   19   12   44 o   24.855   1.8673   85.558   12.375  110.603   21.663   73.426   15.077   27.684   2.9593   22.737   2.5107 4.946646 3.880877 
1 1 1   19   12   45 o   18.452   3.2617   50.932   15.574   52.245   20.837   49.270   23.443   18.021   4.3536   17.167   4.8630 0.8539791 6.527003 
1 1 1   19   12   46 o   27.752   2.0062  107.944   14.853  120.339   22.304   98.067   19.910   28.648   2.9403   25.856   2.9180 2.791977 4.142474 
1 1 1   19   12   47 o   8.4500   3.5065   5.6051   13.073 -22.0432   18.963   30.649   18.048   7.0319   3.3870   13.567   4.3630 -6.534997 5.523335 
1 1 1   19   12   48 o   41.486   1.7348  239.762   19.331  246.100   33.240  236.523   23.762   40.411   3.0858   40.736   2.1797 -0.3247795 3.777988 
1 1 1   19   12   49 o   11.304   3.8953   20.837   14.337 -38.8600   25.413   48.710   17.365   7.3249   3.6112   17.103   3.8705 -9.778079 5.293542 
1 1 1   19   13  -46 o   13.373   5.1191   30.240   25.694   0.0000   0.0000   30.240   25.694  ?   ?    13.373   5.1191 0.000000 5.119090 
1 1 1   19   13  -45 o   11.763   4.1923   21.105   16.701   0.0000   0.0000   21.105   16.701  ?   ?    11.763   4.1923 0.000000 4.192321 
1 1 1   19   13  -44 o   15.024   4.1560   36.268   17.336   0.0000   0.0000   36.268   17.336  ?   ?    15.024   4.1560 0.000000 4.155952 
1 1 1   19   13  -43 o   21.169   2.5220   63.954   14.057   74.070   21.575   56.491   18.530   22.058   3.7774   19.240   3.7203 2.817751 5.301847 
1 1 1   19   13  -42 o   20.705   2.2317   60.174   12.215   77.472   17.615   44.152   16.952   23.208   2.8883   17.016   3.8047 6.192432 4.776782 
1 1 1   19   13  -41 o   23.201   2.0751   74.756   12.794   70.416   18.220   78.978   17.971   22.042   3.1687   23.492   2.9104 -1.450737 4.302417 
1 1 1   19   13  -40 o   16.485   2.4095   38.397   10.354   60.305   16.857   25.125   13.120   20.417   3.1772   12.994   3.6230 7.423371 4.818843 
1 1 1   19   13  -39 o   39.781   1.1780  214.076   12.587  219.312   17.523  208.493   18.092   40.133   1.6256   39.097   1.7229 1.035442 2.368737 
1 1 1   19   13  -38 o   22.833   1.8228   71.611   11.086   80.599   13.531   53.261   19.334   24.144   2.1076   18.898   3.9370 5.246700 4.465641 
1 1 1   19   13  -37 o   26.553   1.4399   95.927   10.231   99.664   14.404   92.122   14.534   26.906   2.0076   25.828   2.1136 1.078135 2.915138 
1 1 1   19   13  -36 o   16.458   2.4574   38.189   10.530   44.246   18.296   35.189   12.877   17.172   4.0353   15.552   3.1897 1.619368 5.143675 
1 1 1   19   13  -35 o   27.057   1.4204   99.534   10.286   85.781   14.402  113.855   14.696   24.904   2.1749   28.805   1.9104 -3.901636 2.894746 
1 1 1   19   13  -34 o   11.993   2.9981   20.889   9.6313   27.224   15.862   17.189   12.122   13.579   4.0459   11.066   3.5774 2.512794 5.400615 
1 1 1   19   13  -33 o   19.617   1.9211   53.019   9.9925   51.831   12.382   55.237   16.921   19.244   2.4512   19.559   3.3409 -0.3154812 4.143690 
1 1 1   19   13  -32 o   14.776   2.2345   30.575   8.5909   38.490   11.843   21.785   12.481   16.454   2.7788   12.257   3.5722 4.197020 4.525770 
1 1 1   19   13  -31 o   26.388   1.3674   94.467   9.6581   89.990   13.531   99.116   13.790   25.609   1.9826   26.901   1.9211 -1.291239 2.760741 
1 1 1   19   13  -30 o   16.331   3.0342   38.137   12.819   28.407   24.374   41.858   15.072   14.394   5.0716   17.009   3.4178 -2.614655 6.115813 
1 1 1   19   13  -29 f   48.085   1.1970  312.106   15.459  321.666   21.548  301.966   22.192   48.705   1.6472   47.160   1.7519 1.544708 2.404680 
1 1 1   19   13  -28 o   22.671   1.5738   69.931   9.5239   66.914   12.724   73.775   14.361   22.043   2.1776   23.112   2.3460 -1.068260 3.200922 
1 1 1   19   13  -27 o   6.7517   2.7794   2.1417   8.1236   4.7334   11.720  -0.2546   11.270   8.3632   3.3772   7.3668   3.1650 0.9963918 4.628502 
1 1 1   19   13  -26 o   36.680   1.0903  181.350   10.742  180.882   14.822  181.868   15.590   36.572   1.5089   36.659   1.5833 -0.8666992E-01 2.187176 
1 1 1   19   13  -25 o   50.630   0.8905  345.064   12.110  336.270   16.121  356.454   18.346   49.933   1.2020   51.385   1.3293 -1.452358 1.792127 
1 1 1   19   13  -24 o   31.400   1.0304  132.816   8.6906  133.219   10.918  132.120   14.357   31.421   1.2937   31.187   1.7206 0.2332478 2.152722 
1 1 1   19   13  -23 o   5.1302   2.1762   0.1809   5.2080  -4.5117   6.6336   7.7202   8.4083   4.8967   2.2416   8.1868   2.9676 -3.290166 3.719096 
1 1 1   19   13  -22 o   19.867   1.3078   53.478   6.9396   51.500   8.7506   56.831   11.392   19.436   1.6932   20.344   2.1158 -0.9076996 2.709871 
1 1 1   19   13  -21 o   23.618   1.0825   75.138   6.8669   79.932   9.4238   69.710   10.027   24.288   1.4512   22.643   1.6602 1.644754 2.205074 
1 1 1   19   13  -20 o   23.320   1.0166   73.223   6.3674   72.569   9.3299   73.793   8.7116   23.132   1.5099   23.344   1.3958 -0.2114658 2.056270 
1 1 1   19   13  -19 o   39.910   0.7593  214.197   8.1390  222.099   11.214  205.402   11.831   40.616   1.0280   39.050   1.1280 1.566483 1.526140 
1 1 1   19   13  -18 o   34.494   0.8409  160.041   7.7911  163.440   10.282  155.458   11.940   34.838   1.0988   33.958   1.3091 0.8807449 1.709104 
1 1 1   19   13  -17 o   43.011   0.8597  248.839   9.9312  283.773   17.010  230.773   12.232   45.874   1.3806   41.400   1.1001 4.474354 1.765245 
1 1 1   19   13  -16 o   19.027   1.2136   48.959   6.1695   42.978   9.3652   53.544   8.2003   17.706   2.0045   19.860   1.5496 -2.153135 2.533645 
1 1 1   19   13  -15 o   19.947   1.0249   53.681   5.4723   60.199   7.3766   45.704   8.1606   21.097   1.3083   18.323   1.6768 2.774422 2.126790 
1 1 1   19   13  -14 o   40.755   0.7799  223.310   8.5375  219.760   11.335  227.964   12.980   40.412   1.0443   41.148   1.1744 -0.7364655 1.571527 
1 1 1   19   13  -13 o   59.253   0.8334  472.068   13.263  488.847   21.328  461.487   16.936   60.241   1.3181   58.561   1.0768 1.680515 1.702016 
1 1 1   19   13  -12 o   22.927   0.9942   70.710   6.1223   81.632   8.6558   59.777   8.6606   24.584   1.3156   20.999   1.5464 3.584705 2.030312 
1 1 1   19   13  -11 o   98.498   0.9261  1304.70   24.502  1306.63   34.647  1302.78   34.654   98.503   1.3096   98.357   1.3118 0.1456909 1.853563 
1 1 1   19   13  -10 o   30.121   0.8133  121.972   6.5798  123.429   9.1907  120.440   9.4240   30.286   1.1298   29.915   1.1729 0.3712940 1.628536 
1 1 1   19   13   -9 o   13.381   1.4223   24.390   5.0335   22.897   6.9147   26.073   7.3411   12.857   2.0729   13.742   2.0517 -0.8857880 2.916609 
1 1 1   19   13   -8 o   61.331   0.7548  505.577   12.434  506.828   17.591  504.329   17.576   61.382   1.0670   61.230   1.0687 0.1516457 1.510193 
1 1 1   19   13   -7 o   24.132   0.9867   78.315   6.3951   76.473   8.5736   80.625   9.6014   23.794   1.3471   24.421   1.4707 -0.6262417 1.994358 
1 1 1   19   13   -6 o  105.353   1.0542  1492.89   29.831  1471.70   38.274  1525.69   47.615  104.548   1.3630  106.381   1.6664 -1.832520 2.152850 
1 1 1   19   13   -5 o   63.013   0.8323  533.743   14.087  527.180   18.042  543.994   22.547   62.604   1.0730   63.569   1.3205 -0.9647255 1.701505 
1 1 1   19   13   -4 o   80.405   0.8686  869.104   18.758  885.663   25.559  849.775   27.615   81.133   1.1729   79.456   1.2940 1.676834 1.746422 
1 1 1   19   13   -3 o   19.531   1.0638   51.455   5.5592   57.011   8.1388   46.596   7.6114   20.520   1.4868   18.534   1.5430 1.986208 2.142756 
1 1 1   19   13   -2 o   34.057   0.7888  155.898   7.2152  166.683   10.467  146.133   9.9598   35.201   1.1070   32.959   1.1251 2.242176 1.578393 
1 1 1   19   13   -1 o   38.689   0.7577  201.175   7.8739  208.508   11.307  194.269   10.972   39.373   1.0692   38.005   1.0748 1.368469 1.516028 
1 1 1   19   13    0 o   29.664   0.8787  118.297   7.0014  110.469   10.580  124.396   9.3387   28.645   1.3752   30.409   1.1434 -1.763840 1.788412 
1 1 1   19   13    1 o   92.395   0.9767  1147.91   24.238  1098.95   37.766  1182.20   31.607   90.315   1.5568   93.726   1.2555 -3.410698 2.000034 
1 1 1   19   13    2 o   8.4780   2.2856   10.046   5.3231   15.257   8.4369   6.6001   6.8610   10.447   2.9027   7.5381   2.6870 2.908711 3.955458 
1 1 1   19   13    3 o   65.860   0.7671  582.966   13.570  581.758   19.286  584.150   19.097   65.765   1.0918   65.901   1.0789 -0.1363068 1.534956 
1 1 1   19   13    4 o   31.514   0.8089  133.492   6.8469  128.653   9.7809  138.141   9.5880   30.922   1.1776   32.045   1.1140 -1.123045 1.621041 
1 1 1   19   13    5 o   61.864   0.7930  514.413   13.177  526.573   19.807  504.757   17.650   62.558   1.1788   61.259   1.0727 1.299625 1.593834 
1 1 1   19   13    6 o   57.940   0.7882  451.233   12.266  448.681   18.308  453.312   16.523   57.745   1.1804   58.053   1.0597 -0.3081474 1.586248 
1 1 1   19   13    7 o   33.080   0.8177  147.100   7.2658  144.811   10.329  149.343   10.223   32.805   1.1722   33.316   1.1424 -0.5110054 1.636821 
1 1 1   19   13    8 o   51.546   0.7869  357.143   10.894  345.897   16.150  366.533   14.758   50.699   1.1860   52.200   1.0526 -1.501762 1.585735 
1 1 1   19   13    9 o   47.757   0.7946  306.588   10.192  317.564   15.386  298.005   13.606   48.577   1.1793   47.066   1.0763 1.511562 1.596584 
1 1 1   19   13   10 o   79.378   0.9132  847.266   19.469  841.855   27.726  852.530   27.345   79.071   1.3055   79.575   1.2794 -0.5038681 1.827908 
1 1 1   19   13   11 o   27.914   0.9701  104.801   7.2731   98.142   9.2452  115.616   11.781   26.998   1.2750   29.250   1.5047 -2.251856 1.972226 
1 1 1   19   13   12 o   65.544   0.7817  577.526   13.761  579.675   19.345  575.326   19.578   65.633   1.0974   65.385   1.1148 0.2487411 1.564294 
1 1 1   19   13   13 o   49.917   0.7610  334.963   10.203  334.480   14.285  335.466   14.579   49.857   1.0668   49.928   1.0872 -0.7144928E-01 1.523127 
1 1 1   19   13   14 o   12.750   1.6558   22.303   5.5364   26.351   7.3899   17.123   8.3585   13.807   2.0554   11.004   2.8163 2.803043 3.486546 
1 1 1   19   13   15 o   71.906   0.9777  695.656   18.883  678.889   29.648  707.098   24.493   70.934   1.5562   72.451   1.2586 -1.517212 2.001450 
1 1 1   19   13   16 o   65.585   0.8675  578.541   15.282  578.013   21.571  579.073   21.653   65.505   1.2260   65.564   1.2296 -0.5949402E-01 1.736391 
1 1 1   19   13   17 o   31.188   0.9075  130.860   7.6019  146.913   10.220  110.977   11.374   33.028   1.1520   28.641   1.4836 4.386826 1.878374 
1 1 1   19   13   18 o   60.656   0.9123  495.022   14.863  501.791   22.365  489.668   19.890   60.999   1.3651   60.281   1.2285 0.7173882 1.836458 
1 1 1   19   13   19 o   9.2295   2.4808   12.001   6.2820   17.073   8.9361   7.0459   8.8329   10.977   2.9623   8.1313   3.0256 2.845484 4.234302 
1 1 1   19   13   20 o   11.374   2.0860   18.099   6.1379   25.703   8.0262   7.3874   9.5255   13.569   2.2834   8.3822   3.1374 5.186741 3.880364 
1 1 1   19   13   21 o   45.172   0.9608  274.680   11.657  267.122   17.901  280.244   15.360   44.470   1.4987   45.589   1.2544 -1.118576 1.954412 
1 1 1   19   13   22 o   27.431   1.0612  101.355   7.8182   92.177   11.166  110.183   10.951   26.061   1.6029   28.566   1.4273 -2.504805 2.146281 
1 1 1   19   13   23 o   16.251   1.7388   36.160   7.4719   39.715   9.5889   30.666   11.922   16.957   2.1539   14.650   3.1250 2.307150 3.795389 
1 1 1   19   13   24 o   42.720   0.8892  245.639   10.202  250.631   14.383  240.585   14.474   43.105   1.2423   42.227   1.2761 0.8777809 1.780976 
1 1 1   19   13   25 o   28.942   0.9763  112.812   7.5896  118.576   10.828  107.246   10.641   29.633   1.3605   28.177   1.4060 1.456444 1.956460 
1 1 1   19   13   26 o   14.288   1.7140   28.049   6.4465   26.763   8.6922   29.621   9.6101   13.798   2.4344   14.503   2.5606 -0.7051392 3.533125 
1 1 1   19   13   27 o   26.270   1.0361   93.001   7.3105   96.282   9.6981   88.684   11.125   26.663   1.3587   25.538   1.6305 1.124687 2.122405 
1 1 1   19   13   28 o   35.843   0.9129  173.020   8.7882  176.273   11.306  168.057   13.968   36.147   1.1646   35.245   1.4755 0.9011383 1.879734 
1 1 1   19   13   29 f   8.2184   2.5183   9.3097   6.0842   12.677   7.4794   2.7241   10.461   9.4878   2.7654   7.6141   3.1462 1.873740 4.188814 
1 1 1   19   13   30 o   7.7653   2.5591   7.9732   6.1898   7.1935   7.5991   9.5105   10.670   7.8211   2.8233   9.0760   3.3349 -1.254904 4.369550 
1 1 1   19   13   31 o   24.070   1.0835   78.180   7.0052   73.577   9.1192   84.806   10.942   23.260   1.4672   24.941   1.6425 -1.680609 2.202397 
1 1 1   19   13   32 o   25.112   1.0559   85.093   7.1217   83.715   9.3064   87.039   11.063   24.824   1.4015   25.261   1.6394 -0.4369164 2.156851 
1 1 1   19   13   33 o   32.281   0.9906  140.568   8.5893  132.526   11.872  149.404   12.443   31.273   1.4133   33.208   1.3950 -1.935530 1.985850 
1 1 1   19   13   34 o   20.136   1.2609   55.066   6.7850   55.226   8.8547   54.838   10.560   20.084   1.6562   19.927   1.9999 0.1571522 2.596690 
1 1 1   19   13   35 o   18.899   1.3415   48.618   6.7656   54.773   8.7392   39.411   10.688   20.002   1.6412   16.730   2.4514 3.271770 2.950019 
1 1 1   19   13   36 o   12.291   2.2233   21.372   7.0694   20.029   9.5023   23.036   10.580   11.737   3.0022   12.559   3.1436 -0.8226013 4.346910 
1 1 1   19   13   37 o   27.065   1.0826   98.944   7.8700   87.214   10.076  117.293   12.603   25.304   1.4892   29.326   1.6061 -4.021852 2.190249 
1 1 1   19   13   38 o   14.731   1.9937   30.230   7.6859   30.591   9.7079   29.624   12.581   14.660   2.5585   14.192   3.3538 0.4687290 4.218267 
1 1 1   19   13   39 o   28.007   0.9868  105.879   7.4232  108.307   9.2346  101.445   12.479   28.289   1.2154   27.223   1.7155 1.066219 2.102433 
1 1 1   19   13   40 o   18.939   1.3236   48.875   6.6905   47.594   7.8788   52.187   12.669   18.628   1.5899   19.228   2.5131 -0.5999794 2.973856 
1 1 1   19   13   41 o   13.612   2.0144   26.014   7.1427   31.016   7.8914   3.3434   16.801   14.883   2.0268   9.2082   3.9075 5.674735 4.401898 
1 1 1   19   13   42 o   23.145   1.6177   73.585   9.9935   84.995   13.312   58.851   15.127   24.733   2.0216   20.199   2.8690 4.534544 3.509671 
1 1 1   19   13   43 o   7.5077   3.3083  -1.4974   12.987 -12.7196   16.919   14.600   20.263   7.3659   3.4435   11.252   4.4757 -3.885655 5.647122 
1 1 1   19   13   44 o   10.869   3.6644   17.432   12.678  -2.6441   18.713   34.466   17.237   8.7089   3.8962   14.643   4.1776 -5.934175 5.712482 
1 1 1   19   13   45 o   7.9059   3.3848   2.3140   12.809   2.6610   19.203   2.0357   17.193   9.3037   4.0632   8.8410   3.8534 0.4627094 5.599863 
1 1 1   19   13   46 o   7.1705   3.1780  -1.2240   12.153   10.897   17.797 -11.8148   16.636   10.031   4.1197   7.2082   3.3840 2.822423 5.331399 
1 1 1   19   13   47 o   15.441   4.1930   40.778   17.838   0.0000   0.0000   40.778   17.838  ?   ?    15.441   4.1930 0.000000 4.193033 
1 1 1   19   13   48 o   9.8281   3.9772   12.476   16.292   0.0000   0.0000   12.476   16.292  ?   ?    9.8281   3.9772 0.000000 3.977243 
1 1 1   19   14  -45 o   16.345   5.3390   51.070   26.965   0.0000   0.0000   51.070   26.965  ?   ?    16.345   5.3390 0.000000 5.339045 
1 1 1   19   14  -44 o   15.692   4.2100   40.875   18.112   0.0000   0.0000   40.875   18.112  ?   ?    15.692   4.2100 0.000000 4.209970 
1 1 1   19   14  -43 o   13.482   4.3597   29.449   18.002   0.0000   0.0000   29.449   18.002  ?   ?    13.482   4.3597 0.000000 4.359720 
1 1 1   19   14  -42 o   7.3988   3.4155  -9.0340   15.856   12.630   48.879 -11.5817   16.762   13.870   6.2437   7.3975   3.4480 6.472345 7.132457 
1 1 1   19   14  -41 o   34.249   1.5630  160.424   14.378  166.385   20.668  154.835   20.014   34.486   2.2436   33.257   2.2539 1.229206 3.180169 
1 1 1   19   14  -40 o   31.715   1.6515  137.890   14.019  155.277   20.712  123.190   19.045   33.332   2.3281   29.628   2.4142 3.703783 3.353856 
1 1 1   19   14  -39 o   12.341   2.9804   22.356   9.7676   35.885   16.062   14.417   12.304   15.372   3.8877   10.338   3.6059 5.034051 5.302489 
1 1 1   19   14  -38 o   5.2310   2.4893 -11.5124   9.5868 -29.1574   15.257  -0.0002   12.323   5.7822   2.8403   7.6313   3.2943 -1.849060 4.349690 
1 1 1   19   14  -37 o   11.167   2.9969   18.153   9.1765   15.543   11.858   22.050   14.489   10.600   3.5440   12.314   3.9039 -1.713790 5.272614 
1 1 1   19   14  -36 o   15.953   2.3926   35.885   9.9353   38.940   12.751   31.164   15.850   16.427   3.0007   14.414   3.9684 2.012408 4.975183 
1 1 1   19   14  -35 o   6.7803   2.8268   1.8097   8.5532  -2.8654   12.225   6.2925   11.971   7.2116   3.1922   8.6270   3.4375 -1.415396 4.691085 
1 1 1   19   14  -34 o   12.673   2.7232   23.164   8.9936   13.944   12.886   31.921   12.558   10.375   3.6841   14.766   3.2541 -4.390862 4.915460 
1 1 1   19   14  -33 o   18.216   2.4636   46.650   11.744   31.437   18.351   57.203   15.284   14.477   4.3605   20.035   2.9266 -5.557896 5.251589 
1 1 1   19   14  -32 o   29.037   1.6171  115.000   12.562  109.542   21.583  117.796   15.448   27.855   2.9286   29.279   1.9759 -1.423733 3.532840 
1 1 1   19   14  -31 o   20.018   1.7485   54.975   9.3066   53.800   12.930   56.238   13.406   19.583   2.5165   20.017   2.5514 -0.4337387 3.583658 
1 1 1   19   14  -30 o   16.722   1.9639   38.687   8.6527   35.949   12.055   41.597   12.427   15.832   2.9433   17.105   2.8019 -1.272922 4.063697 
1 1 1   19   14  -29 o   30.093   1.2621  122.424   10.201  132.059   14.710  113.498   14.159   31.108   1.7679   28.812   1.8392 2.295452 2.551129 
1 1 1   19   14  -28 o   11.145   2.0410   17.462   5.8846   15.653   6.5061   25.595   13.796   10.481   2.3671   13.249   3.7226 -2.767844 4.411466 
1 1 1   19   14  -27 o   7.1259   2.2897   6.7953   4.9716   5.9998   6.6479   7.8047   7.4888   7.2440   2.6368   7.9730   2.8110 -0.7289958 3.854104 
1 1 1   19   14  -26 o   32.459   1.0042  141.997   8.7548  153.235   11.846  128.470   12.997   33.678   1.3096   30.755   1.5786 2.922388 2.051116 
1 1 1   19   14  -25 f   12.737   1.8901   22.510   6.2700   24.642   8.6469   20.146   9.1050   13.195   2.5319   11.853   2.8867 1.341959 3.839753 
1 1 1   19   14  -24 o   9.7034   2.3552   13.376   6.0764   9.6835   8.0539   18.255   9.2581   8.6441   2.9206   11.296   3.0006 -2.651901 4.187325 
1 1 1   19   14  -23 o   30.624   0.8407  126.227   6.9148  135.548   11.071  120.264   8.8543   31.687   1.3008   29.869   1.1037 1.818020 1.705934 
1 1 1   19   14  -22 o   38.225   0.9977  196.817   10.244  197.532   12.895  195.594   16.865   38.261   1.2548   38.007   1.6521 0.2539330 2.074571 
1 1 1   19   14  -21 o   18.813   1.3685   48.039   6.8673   44.825   8.7990   53.048   10.984   18.090   1.8364   19.637   2.1160 -1.547182 2.801739 
1 1 1   19   14  -20 o   32.030   0.9197  138.107   7.9118  134.039   9.3264  148.551   14.943   31.538   1.1010   33.083   1.6873 -1.544788 2.014720 
1 1 1   19   14  -19 o   26.797   0.9472   96.674   6.8173   90.164   9.7209  102.975   9.5633   25.803   1.4080   27.628   1.2888 -1.824846 1.908741 
1 1 1   19   14  -18 o   47.015   0.7992  297.355   10.092  295.109   14.899  299.260   13.719   46.789   1.1855   47.132   1.0837 -0.3424187 1.606210 
1 1 1   19   14  -17 o   15.728   1.2426   33.558   5.2065   37.856   6.7305   27.154   8.2160   16.672   1.5197   13.955   2.2700 2.717006 2.731749 
1 1 1   19   14  -16 o   39.178   0.7638  206.426   8.0371  206.319   11.091  206.544   11.663   39.142   1.0549   39.158   1.1090 -0.1568604E-01 1.530580 
1 1 1   19   14  -15 o   33.648   0.8652  152.318   7.8193  161.876   11.633  144.441   10.561   34.654   1.2498   32.739   1.2010 1.914780 1.733327 
1 1 1   19   14  -14 o   29.126   0.8760  114.124   6.8527  127.766   9.6601  100.305   9.7226   30.797   1.1679   27.275   1.3272 3.521858 1.767851 
1 1 1   19   14  -13 o   35.238   0.8479  167.020   8.0249  171.049   11.877  163.635   10.886   35.628   1.2411   34.855   1.1628 0.7735100 1.700724 
1 1 1   19   14  -12 o   32.863   1.0605  145.383   9.3604  131.205   16.298  152.361   11.434   31.070   1.9631   33.626   1.2660 -2.555574 2.335912 
1 1 1   19   14  -11 o   45.504   0.9927  278.633   12.133  279.284   22.775  278.375   14.337   45.442   1.8659   45.465   1.1741 -0.2256012E-01 2.204587 
1 1 1   19   14  -10 o   77.609   0.8549  810.035   17.821  811.831   26.233  808.497   24.286   77.630   1.2581   77.487   1.1669 0.1428223 1.715961 
1 1 1   19   14   -9 o   67.492   0.7782  612.447   14.107  620.023   20.032  604.993   19.870   67.870   1.0989   67.041   1.1035 0.8283157 1.557311 
1 1 1   19   14   -8 o   51.895   0.7468  362.038   10.409  375.451   14.830  349.013   14.613   52.821   1.0453   50.926   1.0683 1.895912 1.494644 
1 1 1   19   14   -7 o   64.444   0.7993  558.378   13.835  553.433   18.701  564.358   20.563   64.128   1.0857   64.745   1.1825 -0.6171799 1.605334 
1 1 1   19   14   -6 o   47.088   0.8301  298.125   10.498  299.530   13.234  295.741   17.242   47.182   1.0443   46.851   1.3702 0.3314590 1.722751 
1 1 1   19   14   -5 o   37.951   0.8343  193.651   8.5042  184.547   10.982  207.289   13.441   37.031   1.1041   39.233   1.2755 -2.201756 1.687010 
1 1 1   19   14   -4 o   8.9307   2.1673   11.225   5.1461   16.148   7.4665   6.7708   7.1024   10.694   2.6201   7.6405   2.7328 3.053522 3.785874 
1 1 1   19   14   -3 o   26.476   0.8953   94.265   6.3664  101.776   9.1638   87.258   8.8512   27.494   1.2409   25.421   1.3007 2.072611 1.797679 
1 1 1   19   14   -2 o   49.264   0.7802  326.257   10.323  317.784   15.341  333.270   13.956   48.589   1.1755   49.771   1.0440 -1.181778 1.572152 
1 1 1   19   14   -1 o   45.323   0.7748  276.144   9.4319  272.819   14.143  278.807   12.658   45.021   1.1696   45.524   1.0352 -0.5024452 1.561899 
1 1 1   19   14    0 o   9.4899   2.2000   12.675   5.4983   8.8003   8.7438   15.209   7.0714   8.5905   3.0364   10.383   2.5534 -1.792540 3.967351 
1 1 1   19   14    1 o   46.053   0.7457  285.088   9.2235  289.482   13.213  280.912   12.881   46.385   1.0606   45.694   1.0495 0.6909409 1.492097 
1 1 1   19   14    2 o   32.490   0.8140  141.921   7.1034  148.102   10.303  136.321   9.8066   33.172   1.1564   31.826   1.1472 1.346172 1.628934 
1 1 1   19   14    3 o   25.019   0.9324   84.182   6.2653   87.727   9.0140   80.868   8.7145   25.488   1.3213   24.467   1.3311 1.020512 1.875507 
1 1 1   19   14    4 o   83.594   0.8479  939.597   19.038  926.085   26.806  953.349   27.042   82.940   1.2033   84.154   1.1964 -1.213173 1.696862 
1 1 1   19   14    5 o   82.106   0.8424  906.430   18.577  914.261   26.427  898.782   26.118   82.409   1.1940   81.709   1.1901 0.6999359 1.685765 
1 1 1   19   14    6 o  117.789   1.0928  1867.13   34.574  1837.44   50.849  1892.65   47.150  116.703   1.6222  118.488   1.4815 -1.785095 2.196933 
1 1 1   19   14    7 o   25.017   0.9960   84.200   6.6925   82.447   10.110   85.567   8.9287   24.679   1.5328   25.168   1.3255 -0.4891186 2.026475 
1 1 1   19   14    8 o   68.356   0.7879  628.213   14.465  608.334   20.263  648.867   20.655   67.226   1.1222   69.432   1.1076 -2.205582 1.576744 
1 1 1   19   14    9 o   40.345   0.9769  218.994   10.586  216.544   15.571  221.100   14.434   40.076   1.4466   40.508   1.3267 -0.4321289 1.962831 
1 1 1   19   14   10 o   34.152   0.8843  156.873   8.1117  165.166   12.187  150.278   10.869   35.012   1.2960   33.404   1.2114 1.608334 1.774019 
1 1 1   19   14   11 o   51.392   0.8038  355.155   11.095  349.547   16.561  359.723   14.944   50.942   1.2104   51.694   1.0763 -0.7522545 1.619743 
1 1 1   19   14   12 o   28.369   0.8954  108.267   6.8228  109.458   9.4492  106.969   9.8618   28.503   1.2343   28.172   1.3033 0.3310719 1.794986 
1 1 1   19   14   13 o   20.864   1.1050   58.777   6.1701   64.100   8.3182   52.266   9.2000   21.752   1.4318   19.583   1.7682 2.169256 2.275211 
1 1 1   19   14   14 o   34.111   0.9227  156.564   8.4541  153.884   12.679  158.709   11.344   33.775   1.3977   34.318   1.2307 -0.5426369 1.862276 
1 1 1   19   14   15 o   21.347   1.1904   61.591   6.7983   57.910   9.2039   66.012   10.085   20.630   1.6755   22.028   1.7181 -1.397930 2.399819 
1 1 1   19   14   16 o   26.911   1.2584   97.641   9.0960   97.123   12.929   98.149   12.799   26.724   1.8120   26.871   1.7836 -0.1467533 2.542499 
1 1 1   19   14   17 o   72.218   0.9908  702.180   19.219  703.076   26.688  701.215   27.699   72.180   1.3766   72.070   1.4309 0.1096344 1.985607 
1 1 1   19   14   18 o   33.138   0.9351  147.818   8.3230  168.592   11.192  122.116   12.449   35.366   1.1783   30.020   1.5492 5.346394 1.946376 
1 1 1   19   14   19 o   34.316   0.9396  158.534   8.6604  160.428   11.910  156.410   12.615   34.484   1.2859   34.038   1.3799 0.4463387 1.886168 
1 1 1   19   14   20 o   51.536   0.8217  357.366   11.373  360.365   15.106  353.440   17.282   51.714   1.0875   51.186   1.2571 0.5281105 1.662184 
1 1 1   19   14   21 o   26.235   1.0414   92.728   7.3380   90.934   9.4348   95.475   11.674   25.916   1.3602   26.508   1.6478 -0.5918312 2.136673 
1 1 1   19   14   22 o   27.255   1.1929  100.190   8.7327   99.448   10.648  101.716   15.264   27.085   1.4691   27.263   2.1007 -0.1772041 2.563399 
1 1 1   19   14   23 o   19.005   1.3384   49.016   6.7884   47.896   9.5855   50.143   9.6150   18.679   1.9388   19.125   1.8968 -0.4460716 2.712317 
1 1 1   19   14   24 o   21.381   1.2662   61.926   7.2391   59.693   9.7769   64.635   10.770   20.907   1.7574   21.740   1.8625 -0.8326683 2.560705 
1 1 1   19   14   25 f   36.642   0.9325  180.837   9.1774  190.870   12.803  170.230   13.163   37.598   1.2678   35.489   1.3809 2.108784 1.874572 
1 1 1   19   14   26 o   16.655   1.6542   37.972   7.3021   39.099   9.4279   36.281   11.544   16.800   2.1378   16.006   2.7866 0.7941761 3.512151 
1 1 1   19   14   27 o   18.788   1.3463   47.962   6.7489   48.525   9.3182   47.342   9.7880   18.798   1.8704   18.536   1.9975 0.2615013 2.736538 
1 1 1   19   14   28 o   14.159   1.6341   27.555   6.1006   28.930   7.9832   25.624   9.4581   14.403   2.1276   13.393   2.7220 1.009965 3.454842 
1 1 1   19   14   29 o   4.9638   2.1932  -1.6548   5.7444  -4.0596   7.4361   1.9041   9.0463   5.3105   2.4087   6.9905   2.9102 -1.679982 3.777698 
1 1 1   19   14   30 o   33.034   0.9080  147.084   8.0565  144.253   10.754  150.705   12.163   32.666   1.2257   33.363   1.3574 -0.6975021 1.828850 
1 1 1   19   14   31 o   18.722   1.3186   47.680   6.5884   46.807   8.5109   48.986   10.407   18.462   1.7367   18.798   2.0970 -0.3362408 2.722782 
1 1 1   19   14   32 o   35.232   0.9901  167.493   9.3697  171.610   12.448  162.109   14.233   35.602   1.3017   34.548   1.5338 1.053963 2.011736 
1 1 1   19   14   33 o   18.447   1.4886   46.490   7.3127   44.879   10.166   48.217   10.526   17.957   2.1507   18.623   2.1435 -0.6662693 3.036437 
1 1 1   19   14   34 o   23.830   1.2580   77.081   8.0232   81.069   11.101   72.718   11.610   24.333   1.7093   22.988   1.8973 1.345642 2.553690 
1 1 1   19   14   35 o   8.9626   2.8770   11.072   7.8506   15.178   11.760   7.7723   10.544   10.516   3.5293   8.5968   3.2820 1.919299 4.819530 
1 1 1   19   14   36 o   14.627   1.8088   29.634   6.9546   31.306   9.3458   27.559   10.411   14.870   2.4234   13.793   2.9021 1.077169 3.780866 
1 1 1   19   14   37 o   28.451   1.0291  109.320   7.8643  110.733   10.307  107.352   12.166   28.578   1.3428   28.032   1.6228 0.5457172 2.106339 
1 1 1   19   14   38 o   36.818   0.8938  182.862   8.8386  181.445   11.375  185.022   14.041   36.620   1.1565   36.910   1.4163 -0.2904167 1.828506 
1 1 1   19   14   39 o   37.764   0.9138  192.492   9.2684  191.764   10.890  194.402   17.653   37.656   1.0767   37.701   1.7433 -0.4520035E-01 2.049040 
1 1 1   19   14   40 o   7.8148   3.0438   5.9795   9.2002  -0.4468   11.585   16.952   15.138   7.3036   3.1734   11.156   3.9897 -3.851962 5.097852 
1 1 1   19   14   41 o   5.0900   2.4871 -19.6981   11.234  -5.6846   15.858 -33.8168   15.918   7.7948   3.5282   5.6625   2.8038 2.132260 4.506622 
1 1 1   19   14   42 o   10.786   3.6365   16.990   12.486   24.837   18.452   10.362   16.958   12.727   4.4171   10.079   4.0651 2.648065 6.002932 
1 1 1   19   14   43 o   15.698   3.2175   37.417   13.110   44.359   19.245   31.405   17.909   16.451   4.3055   13.882   4.3318 2.569168 6.107490 
1 1 1   19   14   44 o   10.208   3.5969   15.233   12.260   39.130   19.038  -1.7005   16.026   15.225   4.4047   8.1021   3.6165 7.122822 5.699113 
1 1 1   19   14   45 o   9.8554   3.8707   12.509   14.977   10.340   32.726   13.084   16.844   11.573   5.1668   10.176   4.0699 1.397431 6.577282 
1 1 1   19   14   46 o   11.607   4.1553   22.176   16.425   0.0000   0.0000   22.176   16.425  ?   ?    11.607   4.1553 0.000000 4.155288 
1 1 1   19   15  -43 o   21.120   4.5977   76.380   25.342   0.0000   0.0000   76.380   25.342  ?   ?    21.120   4.5977 0.000000 4.597698 
1 1 1   19   15  -42 o   25.893   2.8542   98.598   19.520   0.0000   0.0000   98.598   19.520  ?   ?    25.893   2.8542 0.000000 2.854197 
1 1 1   19   15  -41 o   7.1957   3.3944 -14.5207   17.096   0.0000   0.0000 -14.5207   17.096  ?   ?    7.1957   3.3944 0.000000 3.394379 
1 1 1   19   15  -40 o   24.133   2.0088   81.319   12.903   87.915   18.517   75.094   17.988   24.641   2.8504   22.647   3.0334 1.994093 4.162499 
1 1 1   19   15  -39 o   41.733   1.4297  237.390   16.026  292.616   23.502  189.400   21.909   46.075   1.8991   36.833   2.2250 9.241528 2.925279 
1 1 1   19   15  -38 o   11.933   3.4034   21.181   11.442   24.647   16.783   18.170   15.641   12.849   4.2129   11.458   4.0599 1.391292 5.850720 
1 1 1   19   15  -37 o   20.491   2.0963   58.443   11.375   45.214   17.111   68.919   15.227   17.327   3.7828   22.063   2.6208 -4.735723 4.601959 
1 1 1   19   15  -36 o   22.394   1.6598   68.764   9.9125   73.169   13.983   64.313   14.054   22.892   2.3056   21.379   2.4944 1.513634 3.396686 
1 1 1   19   15  -35 o   10.026   3.2595   14.026   10.055   17.323   13.286   9.6065   15.382   11.147   3.7512   9.9257   3.9149 1.221126 5.422014 
1 1 1   19   15  -34 o   29.150   1.4677  115.708   11.454  100.881   14.601  139.428   18.468   27.042   2.0250   31.752   2.1787 -4.709761 2.974482 
1 1 1   19   15  -33 o   14.385   2.8495   29.887   10.620   36.935   18.245   26.275   13.060   15.579   4.2447   13.307   3.5770 2.271952 5.550931 
1 1 1   19   15  -32 o   38.421   1.1630  199.654   12.001  194.532   16.629  205.222   17.338   37.795   1.6382   38.811   1.6632 -1.016285 2.334501 
1 1 1   19   15  -31 o   9.3640   3.1007   11.940   9.0834   12.149   12.923   11.735   12.770   9.9895   3.6702   9.8770   3.6453 0.1125069 5.172855 
1 1 1   19   15  -30 o   62.185   1.3328  523.947   22.261  493.932   29.573  563.193   33.816   60.143   1.8307   64.142   1.9628 -3.999268 2.684042 
1 1 1   19   15  -29 o   26.334   1.1409   93.717   8.0697   93.860   9.8577   93.426   14.050   26.276   1.4018   26.046   2.0243 0.2305393 2.462325 
1 1 1   19   15  -28 o   28.998   0.9750  113.422   7.5942  112.412   10.493  114.533   11.005   28.810   1.3560   29.071   1.4095 -0.2605705 1.955827 
1 1 1   19   15  -27 o   47.418   0.9885  303.240   12.590  310.923   17.847  295.630   17.762   47.916   1.3867   46.715   1.4156 1.201427 1.981654 
1 1 1   19   15  -26 o   27.895   1.0653  104.986   7.9815  103.497   10.899  106.709   11.721   27.599   1.4756   28.005   1.5645 -0.4061031 2.150591 
1 1 1   19   15  -25 o   30.979   1.0465  129.433   8.7073  127.111   11.345  132.762   13.583   30.652   1.3780   31.240   1.6244 -0.5884628 2.130165 
1 1 1   19   15  -24 o   26.332   1.0798   93.520   7.6371   99.470   10.856   87.689   10.746   27.062   1.4994   25.387   1.5839 1.675171 2.181024 
1 1 1   19   15  -23 o   61.906   0.9095  516.183   15.123  511.931   26.049  518.345   18.574   61.469   1.5778   61.989   1.1155 -0.5203094 1.932312 
1 1 1   19   15  -22 f   29.372   0.8542  116.151   6.7386  117.399   8.8904  114.467   10.331   29.503   1.1219   29.108   1.3214 0.3948975 1.733417 
1 1 1   19   15  -21 o   24.135   1.0759   78.528   6.9744   79.634   9.1131   76.965   10.836   24.232   1.4062   23.765   1.7090 0.4665051 2.213154 
1 1 1   19   15  -20 o   31.291   0.9281  131.852   7.7998  137.046   10.956  126.515   11.107   31.861   1.2802   30.604   1.3512 1.257767 1.861399 
1 1 1   19   15  -19 o   40.948   0.9218  225.778   10.139  223.304   11.557  234.042   21.120   40.706   1.0571   41.514   1.8941 -0.8080177 2.169136 
1 1 1   19   15  -18 o   6.3398   2.3459   4.3140   5.2953   3.9454   6.2135   5.2918   10.121   6.5330   2.5134   8.0456   3.1749 -1.512605 4.049376 
1 1 1   19   15  -17 o   29.004   0.9111  113.251   7.0979  117.400   9.1924  107.125   11.170   29.508   1.1598   28.113   1.4846 1.394892 1.883919 
1 1 1   19   15  -16 f   12.031   1.8663   20.084   5.8356   27.405   8.2223   12.653   8.2834   14.012   2.2618   9.5723   2.9393 4.439795 3.708801 
1 1 1   19   15  -15 f   24.990   0.9449   84.079   6.3421   84.530   8.6010   83.541   9.3889   24.998   1.2854   24.832   1.4136 0.1659164 1.910587 
1 1 1   19   15  -14 f   32.274   0.8306  140.152   7.2003  148.048   9.9219  131.366   10.465   33.146   1.1145   31.209   1.2485 1.936682 1.673524 
1 1 1   19   15  -13 o   14.710   1.3739   29.457   5.3657   23.535   7.0653   37.528   8.2476   13.004   2.0939   16.533   1.8913 -3.529173 2.821568 
1 1 1   19   15  -12 o   4.6593   2.0528  -1.4075   4.9984  -7.3484   6.4930   7.2348   7.8312   4.4205   2.0873   7.9254   2.8653 -3.504884 3.544974 
1 1 1   19   15  -11 o   50.906   0.7605  348.520   10.399  342.662   14.471  354.774   14.953   50.441   1.0681   51.322   1.0847 -0.8814278 1.522354 
1 1 1   19   15  -10 o   70.964   0.9333  677.733   17.789  657.315   30.698  688.055   21.827   69.733   1.6390   71.465   1.1371 -1.732712 1.994835 
1 1 1   19   15   -9 o   67.889   0.9826  620.382   17.917  599.537   25.365  641.137   25.311   66.657   1.4168   68.942   1.3669 -2.285095 1.968659 
1 1 1   19   15   -8 o   49.198   0.9311  325.709   12.304  355.652   19.819  306.931   15.695   51.339   1.4373   47.724   1.2244 3.614685 1.888142 
1 1 1   19   15   -7 o   59.371   0.8224  474.108   13.114  479.967   20.452  470.017   17.089   59.673   1.2761   59.082   1.0769 0.5904655 1.669760 
1 1 1   19   15   -6 o   44.525   0.8113  266.630   9.7024  271.901   14.987  262.827   12.730   44.919   1.2422   44.182   1.0728 0.7367249 1.641278 
1 1 1   19   15   -5 o   27.262   0.9987  100.031   7.3132  104.350   10.496   95.955   10.195   27.779   1.4114   26.633   1.4305 1.146357 2.009535 
1 1 1   19   15   -4 o   32.885   1.0195  145.557   9.0051  149.572   13.597  142.420   12.019   33.290   1.5206   32.499   1.3769 0.7911682 2.051388 
1 1 1   19   15   -3 o   98.386   1.1275  1303.47   29.795  1309.31   48.662  1299.97   37.685   98.386   1.8415   98.174   1.4291 0.2121429 2.330986 
1 1 1   19   15   -2 o   26.744   1.0079   96.260   7.2402   75.400   11.879  108.588   9.1326   23.532   1.8956   28.393   1.1976 -4.861111 2.242171 
1 1 1   19   15   -1 o   72.979   0.8055  716.226   15.789  702.002   22.302  730.517   22.355   72.200   1.1501   73.655   1.1300 -1.455299 1.612296 
1 1 1   19   15    0 o   40.392   0.7740  219.380   8.3976  211.786   12.141  226.344   11.627   39.658   1.1398   41.006   1.0557 -1.348255 1.553623 
1 1 1   19   15    1 o   61.142   0.7637  502.654   12.542  490.300   17.740  515.000   17.734   60.347   1.0945   61.852   1.0675 -1.505180 1.528868 
1 1 1   19   15    2 o   61.682   0.7667  511.585   12.702  495.381   17.921  527.945   18.007   60.658   1.1000   62.624   1.0705 -1.966118 1.534913 
1 1 1   19   15    3 o   30.465   0.8532  124.834   6.9817  129.464   10.121  120.631   9.6437   31.000   1.2155   29.925   1.1998 1.075039 1.707933 
1 1 1   19   15    4 o   38.391   0.8139  198.213   8.3920  209.509   12.600  189.208   11.250   39.438   1.1895   37.485   1.1174 1.952747 1.632047 
1 1 1   19   15    5 o   97.484   0.9660  1278.83   25.292  1256.91   37.187  1297.69   34.501   96.527   1.4343   98.117   1.3092 -1.590096 1.941986 
1 1 1   19   15    6 o   50.872   0.8079  348.049   11.038  338.301   16.758  355.520   14.670   50.104   1.2452   51.387   1.0629 -1.283264 1.637185 
1 1 1   19   15    7 o   21.338   1.3247   61.622   7.5548   68.432   11.205   55.946   10.230   22.407   1.8791   20.240   1.9041 2.166870 2.675230 
1 1 1   19   15    8 o   33.329   1.0025  149.529   8.9741  131.804   13.533  163.443   11.990   31.192   1.6209   34.820   1.2820 -3.628000 2.066571 
1 1 1   19   15    9 o   38.904   0.8543  203.614   8.9273  195.172   13.420  210.315   11.956   38.044   1.3134   39.514   1.1266 -1.469696 1.730330 
1 1 1   19   15   10 o   9.4054   2.4966   12.486   6.4121   21.066   10.410   7.2405   8.1396   12.153   3.1596   8.0068   2.9172 4.146480 4.300337 
1 1 1   19   15   11 o   17.878   1.4222   43.409   6.7727   53.836   10.697   36.433   8.7499   19.817   2.0388   16.261   2.0488 3.556234 2.890384 
1 1 1   19   15   12 o   15.485   1.6374   32.780   6.7071   21.294   10.069   41.940   8.9922   12.210   3.0727   17.481   1.9483 -5.270959 3.638349 
1 1 1   19   15   13 o   22.953   1.2235   71.234   7.5156   68.351   11.758   73.226   9.7727   22.359   1.9783   23.222   1.5762 -0.8623638 2.529404 
1 1 1   19   15   14 f   99.964   0.9978  1345.66   26.790  1343.18   39.663  1347.74   36.329   99.709   1.4810   99.928   1.3536 -0.2185059 2.006355 
1 1 1   19   15   15 f   15.940   1.4799   34.625   6.2637   42.510   8.1659   23.353   9.7629   17.632   1.7473   12.790   2.9077 4.841156 3.392327 
1 1 1   19   15   16 f   41.790   0.8302  235.004   9.3186  230.701   12.458  240.468   14.040   41.372   1.1212   42.222   1.2380 -0.8498726 1.670250 
1 1 1   19   15   17 o   10.494   2.2481   15.567   6.1456   11.488   7.3327   25.196   11.266   9.1093   2.7592   13.241   3.2028 -4.131498 4.227411 
1 1 1   19   15   18 o   14.263   1.5835   27.859   5.9637   23.384   7.7435   34.382   9.3495   12.902   2.3197   15.721   2.2808 -2.818528 3.253168 
1 1 1   19   15   19 o   36.504   0.9184  179.428   9.0051  167.737   11.140  201.468   15.296   35.265   1.1761   38.601   1.4753 -3.335880 1.886742 
1 1 1   19   15   20 o   34.556   0.9555  160.832   8.8686  149.994   10.874  182.367   15.328   33.341   1.2142   36.708   1.5546 -3.367073 1.972594 
1 1 1   19   15   21 o   6.7555   2.6507   3.7924   7.0174   5.8179   7.2923 -21.5700   25.804   7.3766   2.7482   9.1096   4.2567 -1.733069 5.066824 
1 1 1   19   15   22 f   17.899   1.3948   43.568   6.6524   55.137   8.3472   23.428   11.013   20.120   1.5567   12.742   3.2174 7.378263 3.574241 
1 1 1   19   15   23 o   37.361   0.8976  187.993   9.0069  187.715   11.625  188.410   14.247   37.297   1.1604   37.322   1.4213 -0.2442932E-01 1.834805 
1 1 1   19   15   24 o   29.039   1.0505  113.710   8.1938  121.924   11.892  106.286   11.306   30.010   1.4753   27.974   1.5103 2.035566 2.111330 
1 1 1   19   15   25 o   32.281   0.9665  140.458   8.3796  137.040   11.808  143.926   11.894   31.826   1.3813   32.620   1.3575 -0.7939472 1.936733 
1 1 1   19   15   26 o   5.7425   2.3801   1.2986   6.0131  -1.1898   8.0638   4.4153   9.0248   6.0545   2.6389   7.5068   2.9867 -1.452280 3.985512 
1 1 1   19   15   27 o   29.838   0.9919  120.077   7.9495  132.461   11.545  108.913   10.962   31.278   1.3743   28.313   1.4463 2.964474 1.995125 
1 1 1   19   15   28 o   23.061   1.1759   72.056   7.2592   81.091   10.282   63.077   10.250   24.384   1.5784   21.442   1.7964 2.942455 2.391309 
1 1 1   19   15   29 o   45.667   0.9342  281.255   11.458  275.362   17.613  285.579   15.088   45.052   1.4556   45.949   1.2225 -0.8967133 1.900867 
1 1 1   19   15   30 o   90.054   0.9695  1094.22   23.450  1059.64   34.094  1125.27   32.306   88.372   1.4364   91.140   1.3197 -2.768433 1.950596 
1 1 1   19   15   31 o   44.344   0.9330  265.259   11.113  267.536   15.107  262.573   16.404   44.451   1.2654   44.000   1.3881 0.4508400 1.878271 
1 1 1   19   15   32 o   34.526   0.9142  160.791   8.4774  159.197   11.415  162.751   12.659   34.292   1.2393   34.644   1.3605 -0.3523026 1.840302 
1 1 1   19   15   33 o   34.872   0.9812  164.146   9.1903  161.213   12.999  167.076   12.995   34.467   1.4042   35.095   1.3786 -0.6277618 1.967798 
1 1 1   19   15   34 o   10.241   2.3792   15.065   6.4196   17.217   8.1720   11.595   10.374   10.895   2.7827   9.4457   3.3102 1.449195 4.324398 
1 1 1   19   15   35 o   18.653   1.3219   47.400   6.5797   49.236   8.3926   44.473   10.599   18.934   1.6673   17.819   2.2658 1.115238 2.813161 
1 1 1   19   15   36 o   7.2241   2.3504   7.0335   5.2277   12.991   6.1145  -9.1551   10.079   9.5003   2.3965   5.6701   2.6530 3.830221 3.575137 
1 1 1   19   15   37 o   7.8722   2.3716   8.7093   5.4281   10.887   5.9857  -1.3720   12.879   8.7195   2.4528   7.5747   3.3174 1.144815 4.125676 
1 1 1   19   15   38 o   29.361   1.1871  116.850   9.3615  114.302   12.078  120.683   14.815   28.902   1.5617   29.581   1.8744 -0.6788597 2.439716 
1 1 1   19   15   39 o   17.597   2.6075   44.438   11.952   48.966   17.264   40.271   16.562   17.956   3.7025   16.171   3.8658 1.785841 5.352789 
1 1 1   19   15   40 o   19.086   2.3602   51.828   11.841   30.904   17.352   70.065   16.200   13.968   4.2476   21.995   2.8061 -8.026820 5.090796 
1 1 1   19   15   41 o   26.270   2.0731   96.918   14.509   86.055   21.445  106.087   19.702   23.863   3.4458   27.058   2.7492 -3.195061 4.408145 
1 1 1   19   15   42 o   29.210   1.8675  119.211   14.575  106.333   22.070  129.170   19.408   26.661   3.1424   30.016   2.4282 -3.354671 3.971227 
1 1 1   19   15   43 o   10.381   3.9557   15.034   15.299   1.7250   33.348   18.582   17.217   11.056   5.0478   11.174   4.2110 -0.1177521 6.573686 
1 1 1   19   15   44 o   22.086   3.2004   75.259   18.432   0.0000   0.0000   75.259   18.432  ?   ?    22.086   3.2004 0.000000 3.200449 
1 1 1   19   15   45 o   5.3791   2.6822 -34.5001   15.616   0.0000   0.0000 -34.5001   15.616  ?   ?    5.3791   2.6822 0.000000 2.682240 
1 1 1   19   16  -42 o   27.442   4.0065  123.000   28.660   0.0000   0.0000  123.000   28.660  ?   ?    27.442   4.0065 0.000000 4.006478 
1 1 1   19   16  -41 o   16.680   3.9266   45.303   17.299   0.0000   0.0000   45.303   17.299  ?   ?    16.680   3.9266 0.000000 3.926628 
1 1 1   19   16  -40 o   14.572   4.3792   35.307   18.524   0.0000   0.0000   35.307   18.524  ?   ?    14.572   4.3792 0.000000 4.379177 
1 1 1   19   16  -39 o   44.953   1.7917  279.359   21.633  341.800   59.120  269.706   23.245   45.575   4.9070   44.042   1.9650 1.533176 5.285869 
1 1 1   19   16  -38 o   13.399   3.3060   27.188   11.824   6.1032   17.820   43.775   15.805   9.6450   4.0547   16.936   3.5862 -7.291081 5.413066 
1 1 1   19   16  -37 o   9.9996   3.5050   13.626   11.632   5.5367   16.820   21.040   16.103   9.4369   3.9518   12.006   4.1287 -2.569190 5.715107 
1 1 1   19   16  -36 o   31.345   1.4064  133.684   11.840  137.805   20.206  131.529   14.611   31.347   2.4186   30.929   1.7662 0.4179096 2.994888 
1 1 1   19   16  -35 o   27.492   1.5618  103.354   11.485  105.917   18.800  101.828   14.507   27.416   2.5835   27.132   2.0049 0.2845459 3.270224 
1 1 1   19   16  -34 o   46.294   1.1042  289.874   13.730  289.693   19.261  290.062   19.576   46.119   1.5549   46.138   1.5797 -0.1903152E-01 2.216578 
1 1 1   19   16  -33 o   20.728   1.8875   59.320   10.393   70.988   13.629   43.107   16.067   22.556   2.2810   17.017   3.6261 5.539013 4.283826 
1 1 1   19   16  -32 o   21.360   2.2006   63.528   12.444   80.558   19.985   52.743   15.904   23.635   3.2330   19.057   3.2220 4.578466 4.564391 
1 1 1   19   16  -31 o   23.308   1.2226   73.760   7.6273   72.761   9.0215   76.264   14.282   23.096   1.4619   23.386   2.3036 -0.2904987 2.728333 
1 1 1   19   16  -30 o   26.020   1.1732   91.608   8.1990   93.442   10.089   88.040   14.071   26.192   1.4396   25.223   2.0961 0.9692039 2.542848 
1 1 1   19   16  -29 o   41.475   0.9986  232.249   11.124  234.669   14.752  229.060   16.937   41.608   1.3200   41.040   1.5365 0.5677910 2.025650 
1 1 1   19   16  -28 o   60.942   0.9793  501.272   16.029  479.382   24.604  517.415   21.129   59.377   1.5427   61.809   1.2727 -2.432026 1.999947 
1 1 1   19   16  -27 o   34.442   0.9653  160.056   8.9299  157.808   12.377  162.496   12.896   34.122   1.3505   34.617   1.3870 -0.4944344 1.935903 
1 1 1   19   16  -26 o   6.5930   2.6599   2.9393   7.2633   8.5814   9.0823  -7.0714   12.098   8.4812   3.0828   6.6418   3.0355 1.839367 4.326418 
1 1 1   19   16  -25 f   37.370   0.8889  188.235   8.9221  190.454   13.358  186.448   11.988   37.507   1.3260   37.137   1.2019 0.3698311 1.789638 
1 1 1   19   16  -24 o   47.414   0.8397  302.845   10.694  295.294   15.769  309.275   14.551   46.730   1.2564   47.855   1.1321 -1.124332 1.691178 
1 1 1   19   16  -23 o   85.315   0.9590  981.233   21.975  1002.48   34.440  966.643   28.540   86.001   1.4909   84.562   1.2566 1.438499 1.949855 
1 1 1   19   16  -22 o   19.920   1.3861   53.950   7.3699   55.160   10.187   52.621   10.676   20.033   1.9166   19.526   2.0671 0.5073719 2.818891 
1 1 1   19   16  -21 f   43.434   0.7892  253.960   9.2071  254.495   12.576  253.341   13.517   43.436   1.0779   43.321   1.1617 0.1141205 1.584747 
1 1 1   19   16  -20 o   38.604   0.8166  200.631   8.4676  202.220   11.509  198.755   12.502   38.717   1.1068   38.367   1.2132 0.3505096 1.642213 
1 1 1   19   16  -19 o   30.313   0.8797  123.738   7.1625  127.449   9.6200  119.122   10.729   30.732   1.1655   29.687   1.3456 1.044678 1.780115 
1 1 1   19   16  -18 o   39.575   0.9374  210.965   9.9640  195.564   13.030  232.653   15.462   38.054   1.2749   41.484   1.3877 -3.430557 1.884417 
1 1 1   19   16  -17 o   36.313   0.8130  177.480   7.9296  177.744   10.710  177.161   11.796   36.307   1.0983   36.231   1.2122 0.7557678E-01 1.635763 
1 1 1   19   16  -16 o   11.441   1.9133   18.252   5.6716   19.945   6.8111   14.424   10.243   11.909   2.2108   10.264   3.2854 1.645188 3.959935 
1 1 1   19   16  -15 o   33.186   0.9179  148.300   8.1813  144.083   10.037  156.651   14.124   32.686   1.1432   34.023   1.5456 -1.336834 1.922439 
1 1 1   19   16  -14 o   19.741   1.2288   52.787   6.4834   56.354   7.7221   44.267   11.935   20.371   1.4202   17.799   2.5711 2.572405 2.937266 
1 1 1   19   16  -13 o   32.468   0.8833  141.914   7.7029  138.232   9.9235  147.497   12.218   32.017   1.1540   33.044   1.3767 -1.026829 1.796343 
1 1 1   19   16  -12 o   24.162   1.0109   78.648   6.5608   88.459   8.6553   65.398   10.059   25.603   1.2586   21.903   1.7238 3.700708 2.134394 
1 1 1   19   16  -11 o   49.222   0.7924  325.981   10.476  322.950   13.992  329.848   15.804   48.956   1.0641   49.455   1.1897 -0.4991875 1.596201 
1 1 1   19   16  -10 o   31.427   0.9120  132.958   7.6979  139.599   10.369  124.803   11.490   32.173   1.1999   30.397   1.4074 1.776682 1.849436 
1 1 1   19   16   -9 o   55.696   0.8888  417.538   13.296  399.216   17.639  441.644   20.233   54.409   1.2070   57.204   1.3169 -2.795574 1.786356 
1 1 1   19   16   -8 o   17.005   1.4269   39.329   6.4571   50.996   9.9052   30.706   8.5152   19.291   1.9379   14.866   2.1989 4.424507 2.930949 
1 1 1   19   16   -7 o   19.984   1.2949   54.105   6.9129   48.219   9.9687   59.559   9.5947   18.740   2.0120   20.904   1.7243 -2.164066 2.649790 
1 1 1   19   16   -6 o   51.288   0.8008  353.882   11.031  351.007   16.693  356.110   14.697   51.021   1.2182   51.415   1.0643 -0.3941574 1.617570 
1 1 1   19   16   -5 o   41.198   0.8219  228.357   9.0952  218.815   13.575  236.131   12.252   40.280   1.2547   41.865   1.0896 -1.585224 1.661787 
1 1 1   19   16   -4 o   15.376   1.6223   32.322   6.5987   38.805   9.6105   26.540   9.0763   16.756   2.1877   13.728   2.5555 3.027452 3.364027 
1 1 1   19   16   -3 o   52.614   0.8811  372.518   12.452  367.905   17.013  377.841   18.274   52.239   1.2125   52.927   1.2854 -0.6880722 1.767083 
1 1 1   19   16   -2 o  109.511   1.0378  1615.11   30.524  1598.03   41.223  1635.84   45.416  108.800   1.4106  110.026   1.5368 -1.225975 2.086082 
1 1 1   19   16   -1 o   28.555   0.8952  109.732   6.8660  106.743   10.011  112.386   9.4350   28.128   1.3250   28.873   1.2166 -0.7442570 1.798865 
1 1 1   19   16    0 o   77.663   0.8285  811.461   17.283  812.291   24.497  810.638   24.387   77.632   1.1748   77.554   1.1707 0.7804871E-01 1.658570 
1 1 1   19   16    1 o   33.469   0.8291  150.701   7.4529  138.389   10.584  162.810   10.497   32.038   1.2300   34.761   1.1243 -2.723335 1.666358 
1 1 1   19   16    2 o   19.873   1.1202   53.381   5.9549   62.080   8.5692   45.257   8.2812   21.385   1.5014   18.209   1.7134 3.176781 2.278133 
1 1 1   19   16    3 o   40.075   0.7851  216.029   8.4501  208.222   11.943  223.854   11.957   39.310   1.1312   40.763   1.0921 -1.453510 1.572359 
1 1 1   19   16    4 o   26.272   0.9462   92.918   6.6767  108.926   9.5370   77.530   9.3504   28.421   1.2494   23.915   1.4627 4.505487 1.923642 
1 1 1   19   16    5 o   77.946   0.8640  817.564   18.088  808.023   24.583  828.827   26.710   77.422   1.1822   78.390   1.2686 -0.9680939 1.734022 
1 1 1   19   16    6 o   67.444   0.8642  612.111   15.655  609.335   20.261  616.223   24.661   67.244   1.1218   67.569   1.3588 -0.3249130 1.762063 
1 1 1   19   16    7 o   49.546   0.7697  330.212   10.243  328.326   14.457  332.113   14.514   49.364   1.0904   49.648   1.0884 -0.2842216 1.540633 
1 1 1   19   16    8 o   35.334   0.8758  168.029   8.3120  163.757   12.257  171.666   11.310   34.835   1.3100   35.683   1.1801 -0.8475533 1.763135 
1 1 1   19   16    9 o   24.694   1.0034   82.130   6.6550   80.279   9.3512   84.029   9.4731   24.336   1.4370   24.902   1.4222 -0.5660610 2.021823 
1 1 1   19   16   10 o   9.3922   2.5449   12.471   6.5798   9.1250   9.4525   15.617   9.1647   8.7730   3.1511   10.527   3.0591 -1.753914 4.391737 
1 1 1   19   16   11 o   44.796   0.8842  270.122   10.639  266.526   17.119  272.384   13.579   44.413   1.4351   44.951   1.1247 -0.5384026 1.823287 
1 1 1   19   16   12 o   37.188   0.9211  186.208   9.2005  177.785   13.058  194.511   12.965   36.286   1.3398   37.964   1.2715 -1.678730 1.847132 
1 1 1   19   16   13 o   36.266   0.8465  177.019   8.2455  167.585   11.205  188.161   12.177   35.249   1.1835   37.346   1.2140 -2.097134 1.695431 
1 1 1   19   16   14 o   33.390   0.8785  150.092   7.8788  150.382   10.685  149.746   11.664   33.388   1.1915   33.303   1.3040 0.8535385E-01 1.766350 
1 1 1   19   16   15 o   45.203   0.8673  275.077   10.530  281.815   13.465  264.465   16.897   45.721   1.0965   44.233   1.4222 1.487949 1.795833 
1 1 1   19   16   16 o   42.031   0.9257  237.916   10.451  229.137   12.319  260.452   19.737   41.222   1.1127   43.836   1.6763 -2.613926 2.011970 
1 1 1   19   16   17 o   29.650   1.0519  118.501   8.3774  115.745   10.269  123.987   14.486   29.274   1.3060   30.170   1.7957 -0.8960800 2.220448 
1 1 1   19   16   18 o   52.960   0.8386  377.582   11.929  362.924   15.527  398.693   18.634   51.874   1.1144   54.333   1.2769 -2.459866 1.694786 
1 1 1   19   16   19 o   40.186   0.9431  217.560   10.179  224.607   12.237  201.733   18.340   40.805   1.1165   38.543   1.7716 2.262775 2.094059 
1 1 1   19   16   20 o   32.519   1.0307  142.575   9.0029  132.852   11.255  159.847   15.001   31.349   1.3367   34.333   1.6267 -2.983919 2.105457 
1 1 1   19   16   21 f   33.896   0.8829  154.761   8.0380  144.243   10.737  168.173   12.124   32.680   1.2232   35.277   1.2796 -2.597313 1.770198 
1 1 1   19   16   22 o   52.212   0.8095  367.054   11.352  365.970   15.630  368.263   16.513   52.073   1.1175   52.222   1.1773 -0.1486702 1.623251 
1 1 1   19   16   23 o   25.982   1.1326   91.142   7.9037   93.430   11.228   88.894   11.128   26.188   1.6040   25.536   1.6309 0.6519814 2.287483 
1 1 1   19   16   24 o   25.069   1.0603   84.812   7.1392   78.047   9.4364   93.867   10.918   23.949   1.4741   26.254   1.5551 -2.304998 2.142775 
1 1 1   19   16   25 f   23.747   1.1390   76.188   7.2650   76.771   10.235   75.596   10.314   23.713   1.6165   23.524   1.6427 0.1892242 2.304744 
1 1 1   19   16   26 o   18.295   1.3842   45.618   6.7514   37.452   9.2002   55.146   9.9383   16.389   2.1412   20.012   1.8707 -3.622730 2.843266 
1 1 1   19   16   27 o   20.759   1.4145   58.721   7.8401   60.135   12.604   57.829   10.013   20.769   2.2980   20.499   1.8381 0.2701092 2.942739 
1 1 1   19   16   28 o   34.640   0.9333  161.884   8.6833  161.037   12.384  162.703   12.178   34.467   1.3378   34.652   1.3085 -0.1848488 1.871274 
1 1 1   19   16   29 o   18.919   1.3950   48.824   7.0384   45.891   9.5452   52.318   10.420   18.193   1.9856   19.426   2.0269 -1.233065 2.837414 
1 1 1   19   16   30 o   39.538   1.0488  211.198   11.137  222.788   16.404  201.285   15.170   40.479   1.5087   38.489   1.4674 1.990234 2.104682 
1 1 1   19   16   31 o   16.069   1.5086   35.411   6.4351   33.095   8.1722   39.191   10.440   15.401   2.0246   16.665   2.4018 -1.263298 3.141260 
1 1 1   19   16   32 o   27.287   1.0278  100.584   7.5326   92.280   9.7309  113.000   11.898   26.036   1.3966   28.777   1.5450 -2.740820 2.082706 
1 1 1   19   16   33 o   11.562   1.9982   18.847   5.9809   17.092   7.3895   22.180   10.184   10.872   2.5710   12.292   3.0885 -1.419713 4.018570 
1 1 1   19   16   34 o   8.8857   2.0662   11.288   4.8378   11.475   5.2749   10.295   12.139   8.9441   2.2088   9.4212   3.5387 -0.4771700 4.171521 
1 1 1   19   16   35 o   32.396   1.1396  142.077   9.9158  134.666   12.894  152.804   15.512   31.440   1.5269   33.379   1.7363 -1.938536 2.312146 
1 1 1   19   16   36 o   21.017   1.4278   60.390   8.0122   62.303   10.720   57.968   12.060   21.206   1.9024   20.326   2.2465 0.8796349 2.943755 
1 1 1   19   16   37 o   7.7292   2.9769   6.2136   8.7240   30.962   16.242  -3.8217   10.343   14.128   4.0629   6.3953   2.8761 7.733027 4.977893 
1 1 1   19   16   38 o   22.067   2.1129   68.315   12.370   86.052   18.301   53.394   16.785   24.390   2.8472   18.831   3.4456 5.559080 4.469765 
1 1 1   19   16   39 o   20.274   2.1913   58.201   11.743   55.492   17.438   60.449   15.885   19.049   3.5386   20.225   3.0165 -1.176027 4.649828 
1 1 1   19   16   40 o   18.027   2.7769   47.912   13.014   47.152   19.608   48.511   17.399   16.890   4.3085   17.494   3.8108 -0.6043510 5.751941 
1 1 1   19   16   41 o   18.232   3.3833   51.549   15.957  106.400   40.476   41.455   17.364   22.721   6.3738   15.839   4.0620 6.881307 7.558087 
1 1 1   19   16   42 o   8.7445   3.7214   5.3769   15.316   0.0000   0.0000   5.3769   15.316  ?   ?    8.7445   3.7214 0.000000 3.721414 
1 1 1   19   16   43 o   15.591   4.1868   42.349   17.903   0.0000   0.0000   42.349   17.903  ?   ?    15.591   4.1868 0.000000 4.186777 
1 1 1   19   16   44 o   9.9338   4.3522   9.0430   22.186   0.0000   0.0000   9.0430   22.186  ?   ?    9.9338   4.3522 0.000000 4.352152 
1 1 1   19   17  -40 o   9.6440   4.3539   0.4207   23.969   0.0000   0.0000   0.4207   23.969  ?   ?    9.6440   4.3539 0.000000 4.353901 
1 1 1   19   17  -39 o   17.928   3.8936   51.935   18.213   0.0000   0.0000   51.935   18.213  ?   ?    17.928   3.8936 0.000000 3.893649 
1 1 1   19   17  -38 o   21.769   3.1029   70.870   17.629   0.0000   0.0000   70.870   17.629  ?   ?    21.769   3.1029 0.000000 3.102921 
1 1 1   19   17  -37 o   10.537   3.4407   16.441   11.199  -0.8229   16.093   32.650   15.594   8.3213   3.6740   14.345   3.9308 -6.023550 5.380502 
1 1 1   19   17  -36 f   32.455   1.5829  144.355   13.798  138.943   19.992  149.280   19.068   31.362   2.3913   32.643   2.1875 -1.281115 3.240969 
1 1 1   19   17  -35 o   29.810   1.4795  121.276   11.846  115.939   19.995  124.162   14.704   28.553   2.6370   29.982   1.8348 -1.429594 3.212475 
1 1 1   19   17  -34 o   23.482   1.7614   76.013   11.028   85.613   18.627   70.831   13.685   24.418   2.8966   22.459   2.3011 1.959183 3.699389 
1 1 1   19   17  -33 o   9.0609   3.2765   10.317   10.241   12.790   16.769   8.8457   12.932   10.628   4.1178   9.2515   3.6073 1.376676 5.474359 
1 1 1   19   17  -32 o   23.823   1.2430   77.140   7.9260   80.657   9.6248   69.727   13.971   24.301   1.4817   22.295   2.3693 2.006275 2.794444 
1 1 1   19   17  -31 o   13.143   2.3457   24.600   7.9765   26.523   9.3848   19.597   15.139   13.558   2.6722   11.767   4.0041 1.790550 4.813848 
1 1 1   19   17  -30 o   24.008   1.2300   78.286   7.9049   77.312   10.169   79.772   12.566   23.765   1.6025   24.029   1.9642 -0.2640762 2.534985 
1 1 1   19   17  -29 o   32.156   1.0295  139.713   8.8916  142.526   12.156  136.476   13.040   32.395   1.3971   31.663   1.5333 0.7313213 2.074321 
1 1 1   19   17  -28 o   19.591   1.5201   52.524   7.9359   51.862   9.8227   53.769   13.467   19.361   1.9140   19.468   2.6438 -0.1067963 3.263929 
1 1 1   19   17  -27 o   30.158   1.0603  122.914   8.5884  123.983   11.759  121.691   12.574   30.206   1.4494   29.855   1.5736 0.3511791 2.139354 
1 1 1   19   17  -26 o   42.574   0.9477  244.624   10.837  237.854   17.984  248.483   13.579   41.790   1.6022   42.851   1.1798 -1.060619 1.989739 
1 1 1   19   17  -25 o   22.479   1.4717   68.930   8.8368   68.233   16.470   69.211   10.472   21.902   2.8686   22.453   1.7502 -0.5511074 3.360368 
1 1 1   19   17  -24 o   12.326   1.7938   21.152   5.7644   22.121   6.8428   18.783   10.698   12.532   2.1078   11.369   3.3054 1.162552 3.920259 
1 1 1   19   17  -23 f   11.278   1.8657   17.811   5.4537   18.280   6.8248   16.983   9.0714   11.321   2.3223   10.835   3.0097 0.4867468 3.801448 
1 1 1   19   17  -22 o   5.1873   2.2230  -0.1218   5.5347  -9.7377   6.5371   24.221   10.401   4.1304   1.9892   12.903   3.0494 -8.773109 3.640843 
1 1 1   19   17  -21 o   37.456   0.8897  189.088   8.9508  183.153   12.559  195.214   12.760   36.796   1.2708   37.992   1.2504 -1.196560 1.782831 
1 1 1   19   17  -20 o   10.261   2.1963   14.963   5.8704   19.460   7.5236   7.9643   9.3860   11.674   2.4761   8.4137   3.1212 3.260600 3.984125 
1 1 1   19   17  -19 o   18.731   1.3851   47.746   6.9191   48.486   9.9711   47.058   9.6091   18.741   2.0123   18.471   1.9671 0.2699146 2.814066 
1 1 1   19   17  -18 o   3.9405   1.8672  -6.2563   5.2823  -9.0679   6.6042  -1.2637   8.8005   4.2456   2.0328   6.3248   2.7568 -2.079177 3.425245 
1 1 1   19   17  -17 o   14.881   1.5576   30.339   6.1335   21.196   7.5265   48.414   10.583   12.232   2.3766   18.704   2.1453 -6.472867 3.201641 
1 1 1   19   17  -16 o   47.254   0.8065  300.618   10.237  295.920   13.480  307.019   15.735   46.840   1.0714   47.678   1.2287 -0.8378410 1.630259 
1 1 1   19   17  -15 o   41.207   0.8051  228.586   8.9104  221.456   11.969  237.448   13.345   40.518   1.0999   41.940   1.1846 -1.422520 1.616501 
1 1 1   19   17  -14 o   13.906   1.5827   26.534   5.8062   23.109   7.3405   32.258   9.4896   12.833   2.2094   15.165   2.4104 -2.332393 3.269737 
1 1 1   19   17  -13 o   27.629   0.9661  102.857   7.1695   97.180   9.3530  110.946   11.164   26.821   1.2983   28.599   1.4582 -1.778280 1.952477 
1 1 1   19   17  -12 o   38.761   0.8497  202.276   8.8459  195.080   11.512  212.648   13.822   38.030   1.1271   39.677   1.2970 -1.647198 1.718292 
1 1 1   19   17  -11 o   48.676   0.8091  318.899   10.577  321.252   14.028  315.799   16.103   48.814   1.0699   48.366   1.2396 0.4482956 1.637504 
1 1 1   19   17  -10 o   16.261   1.4624   36.047   6.3185   29.690   8.1498   45.627   10.004   14.609   2.1404   18.186   2.0858 -3.576720 2.988644 
1 1 1   19   17   -9 o   44.371   0.8627  265.056   10.282  265.766   12.991  263.865   16.823   44.398   1.0894   44.179   1.4178 0.2193718 1.787956 
1 1 1   19   17   -8 o   34.240   1.0793  158.049   9.9263  147.648   14.210  167.960   13.872   33.019   1.6023   35.241   1.4655 -2.222244 2.171461 
1 1 1   19   17   -7 o   5.2543   2.3296  -2.1330   6.5365  -9.5486   8.2763   10.161   10.656   4.9512   2.3435   9.2522   3.3429 -4.301063 4.082517 
1 1 1   19   17   -6 o   9.4621   2.7629   12.565   7.4597   14.355   11.416   11.231   9.8547   10.389   3.4773   9.3730   3.2295 1.015968 4.745639 
1 1 1   19   17   -5 o   6.9341   2.6895   4.2932   7.1600  -0.5653   8.9374   12.999   11.963   6.5186   2.8097   10.146   3.5547 -3.627362 4.531022 
1 1 1   19   17   -4 o   13.806   1.6445   26.172   5.9781   28.930   8.0567   22.795   8.9173   14.422   2.1452   12.652   2.7060 1.769994 3.453144 
1 1 1   19   17   -3 o   11.543   1.8763   18.541   5.6173   19.509   8.0122   17.605   7.8777   11.705   2.6145   11.109   2.6727 0.5966311 3.738829 
1 1 1   19   17   -2 f   59.933   0.8425  483.455   13.561  479.507   17.588  489.243   21.297   59.641   1.0980   60.194   1.3172 -0.5526505 1.714838 
1 1 1   19   17   -1 f   34.099   0.8571  156.510   7.8502  168.827   11.030  143.866   11.175   35.382   1.1607   32.647   1.2744 2.734238 1.723747 
1 1 1   19   17    0 o   16.655   1.3295   37.693   5.8980   38.331   8.4227   37.079   8.2616   16.694   1.9130   16.416   1.9094 0.2777081 2.702817 
1 1 1   19   17    1 f   17.166   1.2862   39.998   5.8872   37.743   8.4335   42.141   8.2221   16.560   1.9325   17.542   1.7692 -0.9823971 2.620036 
1 1 1   19   17    2 f   6.0022   2.3261   3.1726   5.3520   5.6712   7.5256   0.6157   7.6130   7.4059   2.7854   6.2474   2.6396 1.158469 3.837420 
1 1 1   19   17    3 o   17.482   1.3214   41.501   6.1587   46.647   8.5907   36.059   8.8337   18.467   1.7530   16.148   2.0855 2.319614 2.724370 
1 1 1   19   17    4 o   29.496   0.9845  117.197   7.7996  117.280   10.023  117.069   12.418   29.477   1.2660   29.367   1.5802 0.1094780 2.024780 
1 1 1   19   17    5 o   37.894   0.8522  193.288   8.6735  192.976   11.708  193.668   12.912   37.827   1.1524   37.878   1.2692 -0.5074692E-01 1.714309 
1 1 1   19   17    6 o   23.799   1.0877   76.354   6.9528   83.169   9.4514   68.317   10.264   24.764   1.4270   22.384   1.7204 2.380394 2.235216 
1 1 1   19   17    7 o   21.099   1.4607   60.480   8.2266   64.729   10.081   52.011   14.232   21.780   1.7378   19.239   2.8395 2.540817 3.329096 
1 1 1   19   17    8 o   64.473   1.0659  560.312   18.458  539.528   27.873  576.544   24.632   63.104   1.6445   65.310   1.4042 -2.206821 2.162450 
1 1 1   19   17    9 o   49.811   1.1157  334.592   14.927  339.523   21.297  329.830   20.929   50.073   1.5835   49.354   1.5789 0.7187576 2.236133 
1 1 1   19   17   10 o   13.334   1.8751   24.616   6.5300   26.400   7.9476   20.911   11.456   13.739   2.2302   12.071   3.3925 1.668441 4.059933 
1 1 1   19   17   11 o   46.778   0.8857  294.655   11.128  286.277   15.329  303.991   16.182   46.050   1.2393   47.447   1.2698 -1.397236 1.774315 
1 1 1   19   17   12 o   6.4018   2.5305   3.2049   6.4392   11.198   8.5817  -7.0937   9.7411   9.1560   3.0130   5.8374   2.6885 3.318553 4.038077 
1 1 1   19   17   13 o   15.031   1.5009   30.878   5.9782   38.121   7.9279   21.332   9.1020   16.659   1.8004   12.198   2.8325 4.461729 3.356295 
1 1 1   19   17   14 o   17.547   1.3282   41.847   6.2136   41.518   8.3223   42.261   9.3402   17.390   1.8082   17.499   2.0246 -0.1089153 2.714515 
1 1 1   19   17   15 o   23.971   1.0945   77.509   7.0470   79.905   9.0834   73.886   11.169   24.265   1.3996   23.250   1.8026 1.015833 2.282202 
1 1 1   19   17   16 o   32.299   0.9341  140.568   8.1035  137.921   10.534  144.406   12.684   31.956   1.2273   32.663   1.4458 -0.7068462 1.896441 
1 1 1   19   17   17 o   18.911   1.3842   48.639   6.9819   52.067   8.4510   41.269   12.392   19.524   1.6263   17.069   2.8000 2.455576 3.238056 
1 1 1   19   17   18 o   13.524   2.0754   25.534   7.2981   24.177   8.2568   30.384   15.605   13.063   2.4431   14.360   3.9311 -1.296428 4.628398 
1 1 1   19   17   19 o   38.211   0.8927  196.739   9.1620  205.202   11.908  184.460   14.343   38.985   1.1372   36.901   1.4472 2.084007 1.840545 
1 1 1   19   17   20 o   60.456   0.8125  492.239   13.193  500.382   18.306  483.440   19.029   60.876   1.1196   59.817   1.1844 1.058704 1.629823 
1 1 1   19   17   21 o   7.7560   2.6640   7.7039   6.7035   17.605   9.0840  -4.1346   9.9330   11.041   2.9897   6.2811   2.8223 4.759936 4.111369 
1 1 1   19   17   22 o   40.526   0.8872  221.389   9.6569  222.687   14.008  220.214   13.331   40.562   1.2857   40.350   1.2301 0.2125320 1.779400 
1 1 1   19   17   23 f   43.863   0.8358  259.282   9.8472  273.245   13.674  244.240   14.192   44.964   1.1322   42.483   1.2438 2.481194 1.681969 
1 1 1   19   17   24 o   33.407   0.9004  150.509   8.0794  146.877   10.941  154.864   11.981   32.941   1.2367   33.806   1.3195 -0.8654480 1.808417 
1 1 1   19   17   25 o   9.0315   2.6745   11.577   6.9470   18.023   9.7570   4.9494   9.8934   11.129   3.1319   7.8210   3.1223 3.308215 4.422384 
1 1 1   19   17   26 o   44.972   0.9184  272.879   11.094  264.474   16.948  279.180   14.675   44.129   1.4299   45.414   1.2031 -1.284271 1.868704 
1 1 1   19   17   27 o   19.785   1.4198   53.430   7.4948   48.236   10.730   58.377   10.473   18.584   2.1919   20.553   1.9193 -1.968904 2.913417 
1 1 1   19   17   28 o   15.878   1.7273   34.820   7.2477   25.419   9.2065   50.141   11.753   13.273   2.6749   18.888   2.3688 -5.615418 3.573000 
1 1 1   19   17   29 o   39.135   0.8960  206.635   9.4179  209.876   13.314  203.390   13.324   39.351   1.2597   38.733   1.2807 0.6187820 1.796390 
1 1 1   19   17   30 o   27.854   1.0656  104.879   7.9719  107.183   10.454  101.677   12.322   28.094   1.3854   27.240   1.6926 0.8546982 2.187319 
1 1 1   19   17   31 o   13.782   1.7649   26.377   6.3832   27.446   7.6941   24.018   11.433   13.967   2.1174   12.732   3.3118 1.234985 3.930818 
1 1 1   19   17   32 o   36.411   1.0261  179.189   10.035  179.508   13.722  178.822   14.713   36.342   1.4057   36.239   1.5116 0.1031723 2.064190 
1 1 1   19   17   33 o   33.634   1.2464  153.433   11.259  178.426   16.306  130.655   15.566   36.125   1.6805   30.786   1.8917 5.338472 2.530314 
1 1 1   19   17   34 o   14.254   2.3292   28.941   8.6093   26.875   13.611   30.318   11.115   13.315   3.6823   14.365   2.9786 -1.049879 4.736152 
1 1 1   19   17   35 o   23.327   1.4772   74.542   9.2075   96.516   14.771   60.577   11.775   26.302   2.1086   20.790   2.1392 5.511848 3.003737 
1 1 1   19   17   36 f   17.054   2.6983   42.194   11.948   57.787   17.531   28.668   16.328   19.596   3.4571   13.525   4.1220 6.071148 5.379818 
1 1 1   19   17   37 o   28.642   1.7191  113.527   13.163  106.980   19.663  118.845   17.720   27.203   2.7279   28.978   2.2955 -1.775517 3.565203 
1 1 1   19   17   38 o   17.354   2.7271   44.318   12.293   54.316   20.139   38.381   15.519   18.256   4.1951   15.549   3.7577 2.707332 5.631988 
1 1 1   19   17   39 o   11.376   4.1430   19.777   16.415   0.0000   0.0000   19.777   16.415  ?   ?    11.376   4.1430 0.000000 4.142955 
1 1 1   19   17   40 o   17.369   3.6808   48.644   16.638   0.0000   0.0000   48.644   16.638  ?   ?    17.369   3.6808 0.000000 3.680803 
1 1 1   19   17   41 o   20.732   4.6200   76.650   25.068   0.0000   0.0000   76.650   25.068  ?   ?    20.732   4.6200 0.000000 4.619955 
1 1 1   19   17   42 o   8.0270   3.8133 -13.6900   22.306   0.0000   0.0000 -13.6900   22.306  ?   ?    8.0270   3.8133 0.000000 3.813255 
1 1 1   19   18  -39 o   9.4039   4.1683   4.0300   20.914   0.0000   0.0000   4.0300   20.914  ?   ?    9.4039   4.1683 0.000000 4.168316 
1 1 1   19   18  -38 o   14.548   4.0873   35.819   16.632   0.0000   0.0000   35.819   16.632  ?   ?    14.548   4.0873 0.000000 4.087309 
1 1 1   19   18  -37 o   21.395   3.3516   70.457   18.627   0.0000   0.0000   70.457   18.627  ?   ?    21.395   3.3516 0.000000 3.351610 
1 1 1   19   18  -36 o   7.6944   3.4123  -1.3407   14.033 -16.9700   32.769   2.1690   15.528   9.9467   4.6943   8.4983   3.6832 1.448420 5.966788 
1 1 1   19   18  -35 o   5.8001   2.7137  -8.7567   10.543   7.0863   16.047 -20.7924   13.986   9.3612   3.8847   5.8523   2.8404 3.508839 4.812405 
1 1 1   19   18  -34 o   7.6600   3.0912   4.8212   9.8121   10.006   17.337   2.3781   11.902   10.096   4.0968   7.7659   3.2918 2.330148 5.255433 
1 1 1   19   18  -33 o   24.329   1.6876   81.594   10.960   80.823   18.717   81.995   13.520   23.566   3.0271   24.221   2.0990 -0.6556854 3.683640 
1 1 1   19   18  -32 o   18.466   1.6453   47.022   8.0750   47.849   10.293   45.699   13.021   18.476   2.1122   17.768   2.8229 0.7082062 3.525642 
1 1 1   19   18  -31 o   8.3725   2.6957   9.7242   6.8881   12.358   9.2957   6.5171   10.258   9.4367   3.1373   8.1895   3.2073 1.247148 4.486568 
1 1 1   19   18  -30 o   5.8800   2.4442   1.4410   6.3672  -6.3311   8.0809   14.167   10.340   5.2192   2.4195   10.043   3.3075 -4.824021 4.098024 
1 1 1   19   18  -29 o   20.569   1.6265   58.093   8.9125   59.119   10.867   55.986   15.576   20.642   1.9845   19.668   3.0472 0.9744453 3.636474 
1 1 1   19   18  -28 o   23.825   1.3491   77.318   8.5976   64.641   10.800   99.251   14.206   21.631   1.8775   26.795   1.9881 -5.163836 2.734511 
1 1 1   19   18  -27 o   19.965   1.6125   54.714   8.5730   68.685   13.424   45.091   11.141   22.159   2.2885   17.879   2.3790 4.280149 3.301087 
1 1 1   19   18  -26 o   33.823   1.0582  154.668   9.6132  162.823   13.208  145.481   14.019   34.610   1.4208   32.663   1.5979 1.947067 2.138267 
1 1 1   19   18  -25 o   58.216   0.8482  457.093   13.263  452.842   17.463  462.887   20.386   57.851   1.1239   58.416   1.2993 -0.5647507 1.717949 
1 1 1   19   18  -24 o   20.647   1.1768   57.896   6.4990   47.855   8.1823   75.059   10.697   18.660   1.6496   23.381   1.7153 -4.721632 2.379823 
1 1 1   19   18  -23 o   45.081   0.9250  274.267   11.201  275.981   15.559  272.424   16.137   45.120   1.2839   44.809   1.3408 0.3107529 1.856378 
1 1 1   19   18  -22 o   15.333   1.6062   32.358   6.5166   37.824   8.5466   24.766   10.072   16.497   1.9677   13.030   2.9469 3.466393 3.543458 
1 1 1   19   18  -21 o   25.059   1.1568   84.940   7.7860   67.425   10.844  103.575   11.186   22.133   1.8409   27.561   1.5169 -5.427347 2.385347 
1 1 1   19   18  -20 o   10.577   2.2642   15.979   6.2380   17.891   8.1740   13.313   9.6532   11.113   2.7528   9.8054   3.1941 1.307283 4.216651 
1 1 1   19   18  -19 o   58.548   0.8322  461.938   13.086  455.333   18.708  468.268   18.313   58.020   1.2005   58.853   1.1585 -0.8327675 1.668307 
1 1 1   19   18  -18 o   27.458   0.9949  101.732   7.3375  112.816   9.8714   88.048   10.969   28.872   1.2730   25.397   1.6164 3.474670 2.057438 
1 1 1   19   18  -17 o   31.992   0.9062  137.970   7.7864  136.233   10.323  140.263   11.860   31.743   1.2107   32.178   1.3723 -0.4353085 1.830034 
1 1 1   19   18  -16 o   38.835   0.8720  203.232   9.0956  209.008   11.857  194.975   14.178   39.340   1.1222   37.939   1.3914 1.400650 1.787490 
1 1 1   19   18  -15 o   9.2609   2.4968   12.229   6.3520   14.700   7.3883   5.2260   12.437   10.125   2.6762   8.5840   3.4745 1.541345 4.385724 
1 1 1   19   18  -14 f   18.036   1.3696   44.279   6.5853   40.172   8.3096   51.214   10.798   17.079   1.8405   19.236   2.1254 -2.156422 2.811571 
1 1 1   19   18  -13 o   34.371   0.9025  159.186   8.3316  162.641   10.922  154.376   12.885   34.703   1.1718   33.765   1.4208 0.9378090 1.841674 
1 1 1   19   18  -12 o   9.5073   2.2586   12.872   5.6820   12.039   7.4756   14.010   8.7436   9.2660   2.7813   9.9751   3.0111 -0.7091312 4.099068 
1 1 1   19   18  -11 o   30.638   0.9695  126.527   7.9777  122.655   11.627  129.971   10.966   30.099   1.4383   31.004   1.3169 -0.9049664 1.950077 
1 1 1   19   18  -10 o   47.497   0.8332  303.786   10.629  296.625   15.804  309.700   14.362   46.854   1.2558   47.906   1.1162 -1.052071 1.680163 
1 1 1   19   18   -9 o   15.105   1.5179   31.211   6.0746   31.550   8.2425   30.808   8.9871   15.065   2.0936   14.825   2.3343 0.2407084 3.135574 
1 1 1   19   18   -8 o   9.4622   2.4461   12.751   6.2622   12.926   9.2386   12.603   8.5175   9.7187   3.1211   9.5467   2.9887 0.1720285 4.321344 
1 1 1   19   18   -7 o   66.788   0.8873  600.790   15.916  583.306   25.150  612.471   20.557   65.657   1.4261   67.371   1.1360 -1.713882 1.823299 
1 1 1   19   18   -6 o   32.853   0.9115  145.389   8.0428  139.372   11.741  150.708   11.040   32.106   1.3615   33.406   1.2304 -1.300873 1.835108 
1 1 1   19   18   -5 o   11.788   2.0255   19.453   6.1819   15.238   8.8224   23.519   8.6649   10.363   2.9986   12.858   2.5984 -2.494665 3.967764 
1 1 1   19   18   -4 o   27.168   1.0135   99.492   7.3955   92.709   11.058  104.980   9.9471   26.109   1.5844   27.870   1.3288 -1.761145 2.067912 
1 1 1   19   18   -3 o   17.114   1.5489   39.991   7.0428   38.831   10.046   41.112   9.8761   16.698   2.3011   17.219   2.1846 -0.5207977 3.172986 
1 1 1   19   18   -2 o   7.2007   2.4717   6.5432   5.7702   5.3558   8.1522   7.7352   8.1683   7.4884   2.8795   8.1072   2.9271 -0.6188664 4.105976 
1 1 1   19   18   -1 o   28.631   0.9943  110.479   7.6459  105.085   10.075  117.804   11.741   27.882   1.3453   29.464   1.4885 -1.581306 2.006350 
1 1 1   19   18    0 o   31.643   0.9166  134.874   7.7899  141.175   10.799  128.037   11.248   32.333   1.2435   30.775   1.3608 1.558031 1.843372 
1 1 1   19   18    1 o   14.836   1.5563   30.134   6.1091   30.765   8.4998   29.460   8.7865   14.856   2.1965   14.497   2.3359 0.3582344 3.206343 
1 1 1   19   18    2 o   10.294   2.3593   15.077   6.3835   13.903   8.3174   16.759   9.9575   9.9301   2.9225   10.866   3.1976 -0.9363747 4.331923 
1 1 1   19   18    3 o   47.924   0.7848  309.121   10.102  307.146   14.230  311.128   14.344   47.717   1.1103   48.025   1.1120 -0.3080635 1.571404 
1 1 1   19   18    4 o   28.365   1.0660  108.493   8.1210  117.036   11.672  100.479   11.306   29.367   1.4847   27.191   1.5545 2.176027 2.149594 
1 1 1   19   18    5 o   34.037   0.9075  156.052   8.2964  144.773   12.254  165.598   11.273   32.717   1.3945   35.023   1.1984 -2.306366 1.838648 
1 1 1   19   18    6 o   22.388   1.1852   67.845   7.1014   72.009   10.021   63.644   10.065   22.987   1.6337   21.579   1.7516 1.407887 2.395254 
1 1 1   19   18    7 o   39.874   0.8980  214.166   9.6180  199.870   14.935  224.297   12.572   38.429   1.4469   40.768   1.1482 -2.338989 1.847110 
1 1 1   19   18    8 o   22.787   1.1572   70.262   7.0592   68.808   10.197   71.600   9.7825   22.451   1.7037   22.926   1.5987 -0.4752579 2.336298 
1 1 1   19   18    9 o   17.589   1.4523   42.161   6.7997   38.304   9.8718   45.642   9.3796   16.580   2.2768   18.205   1.9485 -1.624613 2.996769 
1 1 1   19   18   10 o   9.9609   2.2660   14.113   5.9257   12.432   7.9492   16.216   8.8900   9.4357   2.8762   10.650   2.9869 -1.214476 4.146523 
1 1 1   19   18   11 o   28.651   0.9673  110.650   7.4439  110.956   10.259  110.311   10.818   28.644   1.3335   28.548   1.4108 0.9521484E-01 1.941270 
1 1 1   19   18   12 o   17.424   1.5162   41.449   7.0249   42.697   10.110   40.284   9.7682   17.533   2.1949   17.025   2.1867 0.5077896 3.098254 
1 1 1   19   18   13 o   20.476   1.3137   56.931   7.1868   48.985   10.205   64.749   10.123   18.831   2.0508   21.754   1.7472 -2.923027 2.694171 
1 1 1   19   18   14 f   26.583   1.0149   95.316   7.2462   95.782   9.5611   94.689   11.107   26.572   1.3440   26.370   1.5754 0.2017994 2.070834 
1 1 1   19   18   15 o   21.031   1.2095   59.968   6.8032   60.089   8.7689   59.785   10.783   20.985   1.5671   20.842   1.9488 0.1428318 2.500691 
1 1 1   19   18   16 o   22.516   1.2733   68.793   7.6688   71.587   9.1065   61.981   14.220   22.928   1.4867   21.033   2.5707 1.895370 2.969644 
1 1 1   19   18   17 o   5.4495   2.3012   0.5213   5.7809   1.8071   7.2093  -1.7946   9.6751   6.3176   2.6113   6.5394   2.8693 -0.2218409 3.879663 
1 1 1   19   18   18 o   11.059   2.2253   17.380   6.3810   19.748   8.0288   13.319   10.514   11.718   2.6171   9.9272   3.3370 1.790401 4.240877 
1 1 1   19   18   19 o   46.468   0.9014  291.159   11.250  288.138   15.170  294.852   16.770   46.148   1.2239   46.648   1.3384 -0.5006638 1.813623 
1 1 1   19   18   20 o   10.156   2.4085   14.817   6.4702   17.494   8.6239   11.369   9.7864   10.979   2.8863   9.3063   3.2176 1.672640 4.322458 
1 1 1   19   18   21 o   25.721   1.0911   89.417   7.5376   90.197   9.5102   88.098   12.361   25.748   1.3802   25.323   1.8298 0.4255238 2.291944 
1 1 1   19   18   22 o   18.142   1.4046   44.943   6.7908   44.651   9.0639   45.317   10.253   17.958   1.9084   18.018   2.1617 -0.6021118E-01 2.883565 
1 1 1   19   18   23 o   22.667   1.3831   70.006   8.3804   74.948   13.215   66.681   10.839   23.230   2.1421   21.994   1.8520 1.235285 2.831686 
1 1 1   19   18   24 o   32.876   0.9412  145.907   8.3114  135.912   11.206  158.126   12.391   31.652   1.3182   34.132   1.3516 -2.479967 1.887967 
1 1 1   19   18   25 o   12.403   1.9171   21.569   6.1804   14.892   7.8561   32.413   10.011   10.134   2.7955   15.056   2.5677 -4.922717 3.795740 
1 1 1   19   18   26 o   50.471   0.8242  343.493   11.173  358.319   15.376  326.902   16.265   51.462   1.1124   49.113   1.2330 2.349407 1.660603 
1 1 1   19   18   27 o   17.964   1.5290   44.256   7.3071   47.208   8.9416   38.320   12.678   18.478   1.8255   16.225   3.0205 2.253271 3.529235 
1 1 1   19   18   28 o   32.723   1.0158  144.710   8.9278  131.893   11.302  165.981   14.559   31.165   1.3502   34.899   1.5532 -3.734043 2.058023 
1 1 1   19   18   29 o   22.279   1.1506   67.380   6.8618   60.413   8.3696   81.661   11.984   21.014   1.4926   24.337   1.8471 -3.322838 2.374783 
1 1 1   19   18   30 o   13.449   2.2034   25.632   7.6836   17.623   10.940   33.429   10.794   10.994   3.3783   15.213   2.7425 -4.219306 4.351369 
1 1 1   19   18   31 o   28.896   1.3800  113.567   10.710   95.237   19.750  121.204   12.748   25.777   2.9031   29.746   1.6014 -3.969122 3.315497 
1 1 1   19   18   32 o   5.4819   2.4527  -2.6577   7.4176   7.0232   10.251 -13.2963   10.746   8.2795   3.2163   5.4583   2.6080 2.821204 4.140752 
1 1 1   19   18   33 o   32.636   1.2880  144.864   11.291  159.319   16.294  131.511   15.660   33.983   1.7914   30.814   1.9014 3.168530 2.612388 
1 1 1   19   18   34 o   19.719   1.8243   54.097   9.5526   52.463   13.510   55.731   13.508   19.026   2.7214   19.668   2.6225 -0.6421776 3.779333 
1 1 1   19   18   35 o   23.460   2.1286   77.596   13.267  105.610   20.022   55.669   17.713   26.952   2.8070   19.019   3.5993 7.932791 4.564472 
1 1 1   19   18   36 o   15.653   3.3068   37.681   13.467   68.247   26.856   27.414   15.565   19.721   5.0486   13.039   4.0334 6.682540 6.461919 
1 1 1   19   18   37 o   8.0897   3.5755  -0.0873   15.280   0.0000   0.0000  -0.0873   15.280  ?   ?    8.0897   3.5755 0.000000 3.575457 
1 1 1   19   18   38 o   12.764   4.2286   27.552   16.892   0.0000   0.0000   27.552   16.892  ?   ?    12.764   4.2286 0.000000 4.228568 
1 1 1   19   18   39 o   22.313   4.4873   87.200   25.961   0.0000   0.0000   87.200   25.961  ?   ?    22.313   4.4873 0.000000 4.487295 
1 1 1   19   19    0 o   23.344   1.7734   74.078   11.036   78.792   13.981   66.284   17.976   24.005   2.1926   21.777   3.1659 2.227514 3.851029 
1 1 1   19   19    1 o   11.430   2.1227   18.418   6.2768   10.820   8.9368   25.815   8.8178   9.0742   3.0765   13.482   2.5280 -4.407526 3.981895 
1 1 1   19   19    2 o   9.3489   2.3944   12.471   6.0389   35.874   9.2347  -5.0137   7.9822   16.042   2.2013   5.3991   2.4668 10.64270 3.306223 
1 1 1   19   19    3 o   41.858   0.8077  235.944   9.0813  231.040   12.881  240.792   12.805   41.361   1.1595   42.231   1.1290 -0.8699722 1.618295 
1 1 1   19   19    4 o   15.705   1.5523   33.775   6.4622   32.796   9.5271   34.610   8.7948   15.271   2.4021   15.768   2.1312 -0.4973583 3.211258 
1 1 1   19   19    5 o   13.343   1.8329   24.685   6.3953   24.259   9.6440   25.020   8.5441   12.981   2.8446   13.274   2.4878 -0.2931986 3.779031 
1 1 1   19   19    6 o   21.577   1.2386   63.142   7.1480   72.565   10.771   55.724   9.5557   23.029   1.7545   20.157   1.7834 2.871876 2.501806 
1 1 1   19   19    7 o   42.403   0.8105  242.153   9.2311  251.856   13.031  232.381   13.078   43.187   1.1234   41.473   1.1741 1.713848 1.624961 
1 1 1   19   19    8 o   37.925   0.8427  193.767   8.5840  198.413   11.918  188.758   12.374   38.324   1.1579   37.365   1.2329 0.9588280 1.691385 
1 1 1   19   19    9 o   17.449   1.4812   41.578   6.8760   38.066   9.9691   44.765   9.4963   16.490   2.3146   17.992   1.9989 -1.501921 3.058290 
1 1 1   19   19   10 o   42.508   0.8229  243.419   9.3952  245.935   13.003  240.670   13.590   42.668   1.1347   42.194   1.1991 0.4736252 1.650853 
1 1 1   19   19   11 f   16.214   1.4886   35.962   6.4105   31.159   8.5929   41.990   9.6266   14.912   2.2125   17.385   2.1045 -2.472687 3.053566 
1 1 1   19   19   12 f   31.492   0.9958  133.823   8.4229  145.433   12.465  124.067   11.426   32.751   1.4170   30.252   1.4062 2.499086 1.996367 
1 1 1   19   19   13 f   31.240   1.0164  131.729   8.5282  142.739   12.397  121.836   11.751   32.441   1.4227   29.964   1.4601 2.477129 2.038625 
1 1 1   19   19   14 o   18.300   1.4614   45.739   7.1229   47.486   8.6909   42.163   12.432   18.579   1.7627   17.190   2.7881 1.388994 3.298549 
1 1 1   19   19   15 o   25.757   1.0926   89.650   7.5590   77.450   9.6283  109.250   12.204   23.827   1.5123   28.286   1.6130 -4.459534 2.211075 
1 1 1   19   19   16 o   17.244   1.4199   40.632   6.5181   40.800   8.4227   40.381   10.292   17.177   1.8551   16.952   2.3213 0.2244377 2.971455 
1 1 1   19   19   17 o   26.616   1.0317   95.701   7.3756   93.225   9.7050   99.086   11.348   26.172   1.3855   26.933   1.5756 -0.7609787 2.098105 
1 1 1   19   19   18 o   16.553   1.7670   37.853   7.7344   38.523   10.779   37.143   11.104   16.473   2.5161   16.121   2.6570 0.3518066 3.659301 
1 1 1   19   19   19 o   13.777   1.9825   26.571   7.1249   31.993   9.0562   17.764   11.542   15.042   2.3159   11.092   3.4803 3.949566 4.180404 
1 1 1   19   19   20 o   19.413   1.3295   51.384   6.8906   52.267   9.1822   50.245   10.425   19.468   1.7756   18.993   2.0774 0.4746323 2.732846 
1 1 1   19   19   21 o   10.118   2.3831   14.768   6.3694   20.213   8.3015   6.9740   9.9313   11.793   2.6816   8.2355   3.1750 3.557106 4.155904 
1 1 1   19   19   22 o   31.864   1.1324  137.439   9.6914  138.705   14.145  136.318   13.305   31.824   1.6605   31.619   1.5667 0.2052021 2.282962 
1 1 1   19   19   23 o   4.5190   2.0879  -4.5446   5.9440  -2.5067   7.4601  -8.0876   9.8365   5.5391   2.4703   5.6904   2.6486 -0.1513634 3.621852 
1 1 1   19   19   24 f   19.386   1.3729   51.325   7.1026   50.918   8.7477   52.111   12.167   19.221   1.7124   19.213   2.4109 0.8266449E-02 2.957127 
1 1 1   19   19   25 o   19.276   1.4175   50.803   7.2878   52.535   8.3192   45.089   15.111   19.558   1.5977   17.470   3.3421 2.087212 3.704306 
1 1 1   19   19   26 o   29.398   1.0435  116.881   8.2394  121.346   9.8903  106.751   14.895   29.914   1.2310   27.767   2.0108 2.146563 2.357698 
1 1 1   19   19   27 o   34.407   1.0071  160.042   9.3068  149.014   13.407  170.298   12.930   33.064   1.5097   35.395   1.3600 -2.331768 2.031938 
1 1 1   19   19   28 o   20.544   1.6925   58.149   9.2559   59.126   21.069   57.915   10.303   19.591   4.1339   20.436   1.8988 -0.8450108 4.549158 
1 1 1   19   19   29 o   9.7908   2.7729   13.967   7.6228   16.367   10.713   11.506   10.848   10.610   3.3562   9.4062   3.3760 1.203730 4.760401 
1 1 1   19   19   30 o   26.313   1.3138   94.196   9.2853   91.551   12.728   97.205   13.575   25.716   1.8553   26.473   1.9223 -0.7571526 2.671564 
1 1 1   19   19   31 o   9.1162   3.1894   11.231   9.6296   5.6719   17.663   13.582   11.487   9.5588   4.0286   9.9240   3.4828 -0.3651562 5.325369 
1 1 1   19   19   32 o   23.976   1.7278   79.614   11.052   72.031   19.036   83.471   13.575   21.930   3.3372   24.384   2.0930 -2.454008 3.939213 
1 1 1   19   19   33 o   9.4541   3.6880   10.463   13.522   2.7314   26.469   13.193   15.730   10.541   4.6801   10.264   3.9850 0.2767162 6.146797 
1 1 1   19   19   34 o   38.274   1.7545  203.295   18.036  185.400   40.991  207.592   20.085   33.256   4.7217   38.489   1.9492 -5.232483 5.108198 
1 1 1   19   19   35 o   20.575   2.7497   62.764   14.815   74.170   35.531   60.363   16.300   18.858   6.1272   19.888   3.1569 -1.030294 6.892639 
1 1 1   19   19   36 o   23.183   3.0827   82.090   18.719   0.0000   0.0000   82.090   18.719  ?   ?    23.183   3.0827 0.000000 3.082728 
1 1 1   19   19   37 f   9.5469   4.2846   3.0320   22.822   0.0000   0.0000   3.0320   22.822  ?   ?    9.5469   4.2846 0.000000 4.284629 
1 1 1   20    0  -53 o   5.9357   4.1525 -18.9557   24.616 -18.9557   24.616 -18.9557   24.616   5.9357   4.1525   5.9357   4.1525 0.000000 0.000000 
1 1 1   20    0  -52 o   12.699   5.1176   32.591   17.019   32.591   17.019   32.591   17.019   12.699   5.1176   12.699   5.1176 0.000000 0.000000 
1 1 1   20    0  -51 o   13.644   4.1540   32.337   13.293   32.337   13.293   32.337   13.293   13.644   4.1540   13.644   4.1540 -0.000000 0.000000 
1 1 1   20    0  -50 o   9.3912   4.5030   18.467   13.090   18.467   13.090   18.467   13.090   9.3912   4.5030   9.3912   4.5030 0.000000 0.000000 
1 1 1   20    0  -49 o   5.0132   3.3269  -2.5742   11.880  -2.5742   11.880  -2.5742   11.880   5.0132   3.3269   5.0132   3.3269 0.000000 0.000000 
1 1 1   20    0  -48 o   26.593   2.0671   97.785   14.559   97.785   14.559   97.785   14.559   26.593   2.0671   26.593   2.0671 0.000000 0.000000 
1 1 1   20    0  -47 o   22.485   3.1843   73.520   18.118   73.520   18.118   73.520   18.118   22.485   3.1843   22.485   3.1843 -0.000000 0.000000 
1 1 1   20    0  -46 o   69.517   1.5660  654.095   29.206  654.095   29.206  654.095   29.206   69.517   1.5660   69.517   1.5660 0.000000 0.000000 
1 1 1   20    0  -45 o   32.666   2.4409  147.726   21.141  147.726   21.141  147.726   21.141   32.666   2.4409   32.666   2.4409 0.000000 0.000000 
1 1 1   20    0  -44 o   7.0810   4.8072 -11.9161   27.530 -11.9161   27.530 -11.9161   27.530   7.0810   4.8072   7.0810   4.8072 0.000000 0.000000 
1 1 1   20    0  -43 o   15.567   3.9921   39.102   14.428   39.102   14.428   39.102   14.428   15.567   3.9921   15.567   3.9921 0.000000 0.000000 
1 1 1   20    0  -42 o   39.694   1.6216  213.661   17.223  213.661   17.223  213.661   17.223   39.694   1.6216   39.694   1.6216 0.000000 0.000000 
1 1 1   20    0  -41 o   55.543   1.4490  416.586   21.584  416.586   21.584  416.586   21.584   55.543   1.4490   55.543   1.4490 0.000000 0.000000 
1 1 1   20    0  -40 o   59.204   1.4719  473.117   23.372  473.117   23.372  473.117   23.372   59.204   1.4719   59.204   1.4719 0.000000 0.000000 
1 1 1   20    0  -39 o   51.021   1.4678  351.500   20.077  351.500   20.077  351.500   20.077   51.021   1.4678   51.021   1.4678 0.000000 0.000000 
1 1 1   20    0  -38 o   22.884   3.1451   75.015   18.293   75.015   18.293   75.015   18.293   22.884   3.1451   22.884   3.1451 0.000000 0.000000 
1 1 1   20    0  -37 o   59.813   1.4212  482.426   22.803  482.426   22.803  482.426   22.803   59.813   1.4212   59.813   1.4212 0.000000 0.000000 
1 1 1   20    0  -36 o  110.568   1.7870  1648.84   53.040  1648.84   53.040  1648.84   53.040  110.568   1.7870  110.568   1.7870 0.000000 0.000000 
1 1 1   20    0  -35 o   24.708   2.0829   84.059   13.597   84.059   13.597   84.059   13.597   24.708   2.0829   24.708   2.0829 0.000000 0.000000 
1 1 1   20    0  -34 o   13.542   4.5698   32.146   14.864   32.146   14.864   32.146   14.864   13.542   4.5698   13.542   4.5698 0.000000 0.000000 
1 1 1   20    0  -33 o   67.277   1.4176  609.593   25.591  609.593   25.591  609.593   25.591   67.277   1.4176   67.277   1.4176 -0.000000 0.000000 
1 1 1   20    0  -32 o   24.086   1.8414   79.439   11.752   79.439   11.752   79.439   11.752   24.086   1.8414   24.086   1.8414 0.000000 0.000000 
1 1 1   20    0  -31 o   11.782   3.6999   23.530   10.280   23.530   10.280   23.530   10.280   11.782   3.6999   11.782   3.6999 0.000000 0.000000 
1 1 1   20    0  -30 o  117.883   1.8353  1870.96   58.078  1870.96   58.078  1870.96   58.078  117.883   1.8353  117.883   1.8353 0.000000 0.000000 
1 1 1   20    0  -29 o   47.467   1.3787  303.627   17.544  303.627   17.544  303.627   17.544   47.467   1.3787   47.467   1.3787 0.000000 0.000000 
1 1 1   20    0  -28 o   72.819   1.4312  713.586   27.968  713.586   27.968  713.586   27.968   72.819   1.4312   72.819   1.4312 0.000000 0.000000 
1 1 1   20    0  -27 o  124.909   1.9054  2099.89   63.893  2099.89   63.893  2099.89   63.893  124.909   1.9054  124.909   1.9054 0.000000 0.000000 
1 1 1   20    0  -26 o   4.8154   3.2848  -7.9444   13.176  -7.9444   13.176  -7.9444   13.176   4.8154   3.2848   4.8154   3.2848 0.000000 0.000000 
1 1 1   20    0  -25 o   55.266   1.9150  412.189   28.349  412.189   28.349  412.189   28.349   55.266   1.9150   55.266   1.9150 0.000000 0.000000 
1 1 1   20    0  -24 o  116.171   1.8080  1815.61   56.383  1815.61   56.383  1815.61   56.383  116.171   1.8080  116.171   1.8080 -0.000000 0.000000 
1 1 1   20    0  -23 o   26.711   1.6532   96.989   11.757   96.989   11.757   96.989   11.757   26.711   1.6532   26.711   1.6532 -0.000000 0.000000 
1 1 1   20    0  -22 o   18.676   2.1815   48.784   10.553   48.784   10.553   48.784   10.553   18.676   2.1815   18.676   2.1815 -0.000000 0.000000 
1 1 1   20    0  -21 o   96.825   1.6006  1260.82   41.600  1260.82   41.600  1260.82   41.600   96.825   1.6006   96.825   1.6006 -0.000000 0.000000 
1 1 1   20    0  -20 o   90.366   2.1766  1099.68   52.760  1099.68   52.760  1099.68   52.760   90.366   2.1766   90.366   2.1766 -0.000000 0.000000 
1 1 1   20    0  -19 o   8.1023   4.3977   12.460   13.462   12.460   13.462   12.460   13.462   8.1023   4.3977   8.1023   4.3977 -0.000000 0.000000 
1 1 1   20    0  -18 o   64.796   1.5154  564.982   26.340  564.982   26.340  564.982   26.340   64.796   1.5154   64.796   1.5154 -0.000000 0.000000 
1 1 1   20    0  -17 o   66.765   1.3522  599.542   24.226  599.542   24.226  599.542   24.226   66.765   1.3522   66.765   1.3522 -0.000000 0.000000 
1 1 1   20    0  -16 o   87.022   1.7109  1018.61   39.955  1018.61   39.955  1018.61   39.955   87.022   1.7109   87.022   1.7109 -0.000000 0.000000 
1 1 1   20    0  -15 o   11.633   3.4066   22.294   9.2454   22.294   9.2454   22.294   9.2454   11.633   3.4066   11.633   3.4066 -0.000000 0.000000 
1 1 1   20    0  -14 o  209.860   2.9112  5924.09  164.026  5924.09  164.026  5924.09  164.026  209.860   2.9112  209.860   2.9112 0.000000 0.000000 
1 1 1   20    0  -13 o   86.954   1.4931  1016.58   34.847  1016.58   34.847  1016.58   34.847   86.954   1.4931   86.954   1.4931 -0.000000 0.000000 
1 1 1   20    0  -12 o   20.002   1.9776   55.309   10.386   55.309   10.386   55.309   10.386   20.002   1.9776   20.002   1.9776 -0.000000 0.000000 
1 1 1   20    0  -11 o   60.913   1.0006  498.739   16.360  498.739   16.360  498.739   16.360   60.913   1.0006   60.913   1.0006 -0.000000 0.000000 
1 1 1   20    0  -10 o   42.110   1.1374  238.685   12.843  238.685   12.843  238.685   12.843   42.110   1.1374   42.110   1.1374 -0.000000 0.000000 
1 1 1   20    0   -9 o  136.995   1.6312  2522.09   60.002  2522.09   60.002  2522.09   60.002  136.995   1.6312  136.995   1.6312 -0.000000 0.000000 
1 1 1   20    0   -8 f  160.535   1.8629  3463.44   80.302  3463.44   80.302  3463.44   80.302  160.535   1.8629  160.535   1.8629 -0.000000 0.000000 
1 1 1   20    0   -7 o  100.607   1.2959  1360.19   35.004  1360.19   35.004  1360.19   35.004  100.607   1.2959  100.607   1.2959 0.000000 0.000000 
1 1 1   20    0   -6 o   45.175   1.2650  274.746   15.321  274.746   15.321  274.746   15.321   45.175   1.2650   45.175   1.2650 -0.000000 0.000000 
1 1 1   20    0   -5 o  180.263   2.2590  4367.75  109.338  4367.75  109.338  4367.75  109.338  180.263   2.2590  180.263   2.2590 0.000000 0.000000 
1 1 1   20    0   -4 o   33.909   1.9394  155.970   17.531  155.970   17.531  155.970   17.531   33.909   1.9394   33.909   1.9394 -0.000000 0.000000 
1 1 1   20    0   -3 o  203.261   2.8135  5555.05  153.536  5555.05  153.536  5555.05  153.536  203.261   2.8135  203.261   2.8135 0.000000 0.000000 
1 1 1   20    0   -2 o  114.274   1.5554  1755.00   47.721  1755.00   47.721  1755.00   47.721  114.274   1.5554  114.274   1.5554 -0.000000 0.000000 
1 1 1   20    0   -1 o  141.154   1.8342  2677.83   69.514  2677.83   69.514  2677.83   69.514  141.154   1.8342  141.154   1.8342 0.000000 0.000000 
1 1 1   20    0    0 f  128.520   1.7014  2219.87   58.707  2219.87   58.707  2219.87   58.707  128.520   1.7014  128.520   1.7014 -0.000000 0.000000 
1 1 1   20    0    1 o   89.926   1.2117  1086.72   29.254  1086.72   29.254  1086.72   29.254   89.926   1.2117   89.926   1.2117 0.000000 0.000000 
1 1 1   20    0    2 o  136.603   1.6309  2507.59   59.818  2507.59   59.818  2507.59   59.818  136.603   1.6309  136.603   1.6309 -0.000000 0.000000 
1 1 1   20    0    3 o   52.938   1.2517  377.029   17.775  377.029   17.775  377.029   17.775   52.938   1.2517   52.938   1.2517 -0.000000 0.000000 
1 1 1   20    0    4 o  196.510   2.4439  5190.84  128.946  5190.84  128.946  5190.84  128.946  196.510   2.4439  196.510   2.4439 -0.000000 0.000000 
1 1 1   20    0    5 o   86.272   1.3056  1000.37   30.238  1000.37   30.238  1000.37   30.238   86.272   1.3056   86.272   1.3056 -0.000000 0.000000 
1 1 1   20    0    6 o   17.693   1.5580   43.017   7.2717   43.017   7.2717   43.017   7.2717   17.693   1.5580   17.693   1.5580 -0.000000 0.000000 
1 1 1   20    0    7 o   51.151   1.2266  352.024   16.830  352.024   16.830  352.024   16.830   51.151   1.2266   51.151   1.2266 -0.000000 0.000000 
1 1 1   20    0    8 f   11.682   2.9402   21.472   7.9787   21.472   7.9787   21.472   7.9787   11.682   2.9402   11.682   2.9402 -0.000000 0.000000 
1 1 1   20    0    9 o   52.091   1.1306  364.969   15.802  364.969   15.802  364.969   15.802   52.091   1.1306   52.091   1.1306 -0.000000 0.000000 
1 1 1   20    0   10 o   72.160   1.1000  699.860   21.309  699.860   21.309  699.860   21.309   72.160   1.1000   72.160   1.1000 -0.000000 0.000000 
1 1 1   20    0   11 o  129.672   1.5702  2259.72   54.671  2259.72   54.671  2259.72   54.671  129.672   1.5702  129.672   1.5702 -0.000000 0.000000 
1 1 1   20    0   12 o  157.901   1.8440  3350.96   78.180  3350.96   78.180  3350.96   78.180  157.901   1.8440  157.901   1.8440 -0.000000 0.000000 
1 1 1   20    0   13 o   49.143   1.1072  324.863   14.597  324.863   14.597  324.863   14.597   49.143   1.1072   49.143   1.1072 -0.000000 0.000000 
1 1 1   20    0   14 o   8.2198   3.4070   12.759   7.4820   12.759   7.4820   12.759   7.4820   8.2198   3.4070   8.2198   3.4070 -0.000000 0.000000 
1 1 1   20    0   15 o  106.360   1.3653  1520.34   38.989  1520.34   38.989  1520.34   38.989  106.360   1.3653  106.360   1.3653 -0.000000 0.000000 
1 1 1   20    0   16 o   10.788   2.8590   18.581   7.1570   18.581   7.1570   18.581   7.1570   10.788   2.8590   10.788   2.8590 -0.000000 0.000000 
1 1 1   20    0   17 o   33.770   1.1051  153.673   9.9990  153.673   9.9990  153.673   9.9990   33.770   1.1051   33.770   1.1051 -0.000000 0.000000 
1 1 1   20    0   18 o   21.537   1.5109   63.228   8.6408   63.228   8.6408   63.228   8.6408   21.537   1.5109   21.537   1.5109 0.000000 0.000000 
1 1 1   20    0   19 o  129.482   1.7256  2254.00   59.988  2254.00   59.988  2254.00   59.988  129.482   1.7256  129.482   1.7256 -0.000000 0.000000 
1 1 1   20    0   20 o   31.523   1.3541  134.237   11.417  134.237   11.417  134.237   11.417   31.523   1.3541   31.523   1.3541 -0.000000 0.000000 
1 1 1   20    0   21 o   99.374   1.4401  1327.69   38.421  1327.69   38.421  1327.69   38.421   99.374   1.4401   99.374   1.4401 0.000000 0.000000 
1 1 1   20    0   22 o   93.785   1.5580  1182.93   39.222  1182.93   39.222  1182.93   39.222   93.785   1.5580   93.785   1.5580 0.000000 0.000000 
1 1 1   20    0   23 o   78.169   1.4219  821.889   29.832  821.889   29.832  821.889   29.832   78.169   1.4219   78.169   1.4219 0.000000 0.000000 
1 1 1   20    0   24 o  132.544   1.7664  2362.92   62.861  2362.92   62.861  2362.92   62.861  132.544   1.7664  132.544   1.7664 0.000000 0.000000 
1 1 1   20    0   25 o   6.2208   3.5008   6.9348   8.8877   6.9348   8.8877   6.9348   8.8877   6.2208   3.5008   6.2208   3.5008 -0.000000 0.000000 
1 1 1   20    0   26 o   63.009   1.1842  534.016   20.025  534.016   20.025  534.016   20.025   63.009   1.1842   63.009   1.1842 0.000000 0.000000 
1 1 1   20    0   27 o   62.715   1.1560  529.027   19.458  529.027   19.458  529.027   19.458   62.715   1.1560   62.715   1.1560 0.000000 0.000000 
1 1 1   20    0   28 o  161.393   1.8919  3505.09   81.985  3505.09   81.985  3505.09   81.985  161.393   1.8919  161.393   1.8919 0.000000 0.000000 
1 1 1   20    0   29 o  125.756   1.5533  2127.27   52.448  2127.27   52.448  2127.27   52.448  125.756   1.5533  125.756   1.5533 0.000000 0.000000 
1 1 1   20    0   30 o   15.276   1.9795   32.943   7.7455   32.943   7.7455   32.943   7.7455   15.276   1.9795   15.276   1.9795 0.000000 0.000000 
1 1 1   20    0   31 o  112.761   1.4403  1710.53   43.607  1710.53   43.607  1710.53   43.607  112.761   1.4403  112.761   1.4403 -0.000000 0.000000 
1 1 1   20    0   32 o   22.480   1.4655   68.825   8.7625   68.825   8.7625   68.825   8.7625   22.480   1.4655   22.480   1.4655 -0.000000 0.000000 
1 1 1   20    0   33 o   80.993   1.1982  882.509   26.053  882.509   26.053  882.509   26.053   80.993   1.1982   80.993   1.1982 -0.000000 0.000000 
1 1 1   20    0   34 o   52.488   1.2111  371.054   17.054  371.054   17.054  371.054   17.054   52.488   1.2111   52.488   1.2111 0.000000 0.000000 
1 1 1   20    0   35 o   28.344   1.3083  108.757   9.9118  108.757   9.9118  108.757   9.9118   28.344   1.3083   28.344   1.3083 -0.000000 0.000000 
1 1 1   20    0   36 o  111.032   1.4407  1660.22   42.949  1660.22   42.949  1660.22   42.949  111.032   1.4407  111.032   1.4407 -0.000000 0.000000 
1 1 1   20    0   37 o   25.827   1.6482   90.953   11.327   90.953   11.327   90.953   11.327   25.827   1.6482   25.827   1.6482 0.000000 0.000000 
1 1 1   20    0   38 o   78.304   1.5038  826.753   31.602  826.753   31.602  826.753   31.602   78.304   1.5038   78.304   1.5038 0.000000 0.000000 
1 1 1   20    0   39 o   4.0209   2.6972  -3.0969   8.1766  -3.0969   8.1766  -3.0969   8.1766   4.0209   2.6972   4.0209   2.6972 0.000000 0.000000 
1 1 1   20    0   40 o   27.580   1.3986  103.236   10.300  103.236   10.300  103.236   10.300   27.580   1.3986   27.580   1.3986 0.000000 0.000000 
1 1 1   20    0   41 o   58.356   1.1757  458.933   18.411  458.933   18.411  458.933   18.411   58.356   1.1757   58.356   1.1757 -0.000000 0.000000 
1 1 1   20    0   42 o   3.9167   2.7102  -7.7583   9.7444  -7.7583   9.7444  -7.7583   9.7444   3.9167   2.7102   3.9167   2.7102 0.000000 0.000000 
1 1 1   20    0   43 o   20.447   2.2120   58.619   11.788   58.619   11.788   58.619   11.788   20.447   2.2120   20.447   2.2120 0.000000 0.000000 
1 1 1   20    0   44 o   4.3767   2.9204  -2.8379   9.3699  -2.8379   9.3699  -2.8379   9.3699   4.3767   2.9204   4.3767   2.9204 0.000000 0.000000 
1 1 1   20    0   45 o   55.045   1.3083  409.298   19.318  409.298   19.318  409.298   19.318   55.045   1.3083   55.045   1.3083 0.000000 0.000000 
1 1 1   20    0   46 o   14.814   2.6363   32.561   9.4995   32.561   9.4995   32.561   9.4995   14.814   2.6363   14.814   2.6363 0.000000 0.000000 
1 1 1   20    0   47 o   6.4329   3.5486   8.0413   8.9185   8.0413   8.9185   8.0413   8.9185   6.4329   3.5486   6.4329   3.5486 0.000000 0.000000 
1 1 1   20    0   48 o   9.6818   3.7765   17.703   9.3756   17.703   9.3756   17.703   9.3756   9.6818   3.7765   9.6818   3.7765 0.000000 0.000000 
1 1 1   20    0   49 o   60.605   1.2224  496.092   19.880  496.092   19.880  496.092   19.880   60.605   1.2224   60.605   1.2224 0.000000 0.000000 
1 1 1   20    0   50 o   21.167   2.2753   63.221   12.558   63.221   12.558   63.221   12.558   21.167   2.2753   21.167   2.2753 0.000000 0.000000 
1 1 1   20    0   51 o   25.858   2.4382   94.165   16.588   94.165   16.588   94.165   16.588   25.858   2.4382   25.858   2.4382 0.000000 0.000000 
1 1 1   20    0   52 o   20.537   2.1934   59.755   11.751   59.755   11.751   59.755   11.751   20.537   2.1934   20.537   2.1934 0.000000 0.000000 
1 1 1   20    0   53 o   17.033   3.1161   44.377   12.845   44.377   12.845   44.377   12.845   17.033   3.1161   17.033   3.1161 0.000000 0.000000 
1 1 1   20    0   54 o   19.098   3.0146   55.058   14.311   55.058   14.311   55.058   14.311   19.098   3.0146   19.098   3.0146 0.000000 0.000000 
1 1 1   20    0   55 o   20.427   2.5332   61.199   13.323   61.199   13.323   61.199   13.323   20.427   2.5332   20.427   2.5332 0.000000 0.000000 
1 1 1   20    0   56 o   25.165   2.4797   92.205   16.387   92.205   16.387   92.205   16.387   25.165   2.4797   25.165   2.4797 0.000000 0.000000 
1 1 1   20    1  -53 o   10.029   4.1409   7.7815   18.099   0.0000   0.0000   7.7815   18.099  ?   ?    10.029   4.1409 0.000000 4.140885 
1 1 1   20    1  -52 o   31.250   2.0459  134.940   17.078  121.600   35.608  138.924   19.462   27.887   4.9345   31.590   2.3098 -3.702682 5.448374 
1 1 1   20    1  -51 o   11.145   3.2710   17.970   10.432   23.838   12.949   7.1177   17.610   12.720   3.6180   10.001   4.1017 2.719940 5.469308 
1 1 1   20    1  -50 o   17.439   2.0436   42.129   9.3906   19.192   12.913   67.876   13.681   11.630   3.6852   22.101   2.3403 -10.47054 4.365535 
1 1 1   20    1  -49 o   29.433   1.3654  117.207   10.794  140.347   15.418   94.958   15.118   32.073   1.7970   26.263   2.1624 5.809877 2.811548 
1 1 1   20    1  -48 o   13.273   2.5347   24.980   8.7066   18.685   12.499   30.914   12.135   11.528   3.6223   14.636   3.1780 -3.107704 4.818791 
1 1 1   20    1  -47 o   26.695   1.7802   97.212   12.691  102.319   16.014   88.589   20.810   27.280   2.2044   25.060   3.1622 2.220282 3.854678 
1 1 1   20    1  -46 o   21.673   1.9687   64.457   11.335   50.319   14.847   84.218   17.552   18.834   3.0383   24.587   2.7024 -5.753075 4.066252 
1 1 1   20    1  -45 o   46.351   1.2108  289.994   15.073  295.974   21.940  284.648   20.744   46.697   1.7492   45.812   1.6859 0.8849678 2.429404 
1 1 1   20    1  -44 o   45.712   1.4983  282.715   18.395  281.551   25.731  283.932   26.308   45.452   2.1077   45.632   2.1465 -0.1793938 3.008282 
1 1 1   20    1  -43 o   34.201   1.4721  158.154   13.523  145.951   19.056  170.532   19.193   32.654   2.1854   35.352   2.0298 -2.697865 2.982607 
1 1 1   20    1  -42 o   48.151   1.1802  312.610   15.264  296.672   20.938  330.688   22.299   46.816   1.6651   49.424   1.6798 -2.607658 2.365245 
1 1 1   20    1  -41 o   19.772   1.6787   53.260   8.8308   41.007   12.120   67.125   12.893   17.108   2.7293   22.112   2.2001 -5.003584 3.505638 
1 1 1   20    1  -40 o   31.292   1.2069  131.969   10.144  142.803   14.503  121.590   14.194   32.457   1.6692   29.924   1.7740 2.533119 2.435829 
1 1 1   20    1  -39 o   66.420   1.0315  593.888   18.402  585.777   25.977  602.060   26.072   65.883   1.4680   66.796   1.4532 -0.9126511 2.065611 
1 1 1   20    1  -38 o   46.518   1.1007  291.362   13.753  298.959   18.255  281.391   20.913   47.077   1.4437   45.633   1.7063 1.444328 2.235099 
1 1 1   20    1  -37 o   29.082   1.6505  114.574   12.839  143.026   20.549   96.354   16.444   32.364   2.3807   26.541   2.3303 5.822851 3.331352 
1 1 1   20    1  -36 o   59.374   1.0107  474.365   16.119  481.652   22.956  467.278   22.638   59.770   1.4299   58.871   1.4317 0.8989220 2.023484 
1 1 1   20    1  -35 o   44.433   1.0219  265.632   12.196  258.634   17.130  272.825   17.367   43.802   1.4560   44.990   1.4372 -1.187866 2.045884 
1 1 1   20    1  -34 o   78.205   1.3015  823.627   27.338  836.796   43.692  815.155   35.046   78.662   2.0680   77.731   1.6786 0.9318085 2.663498 
1 1 1   20    1  -33 o   46.859   1.1466  295.449   14.431  290.531   17.828  304.796   24.576   46.442   1.4292   47.510   1.9259 -1.068222 2.398263 
1 1 1   20    1  -32 o   27.126   1.2064   99.008   8.7900   98.287   12.533   99.705   12.331   26.944   1.7412   27.143   1.7000 -0.1994171 2.433426 
1 1 1   20    1  -31 o   34.897   1.0592  163.761   9.9280  163.097   14.002  164.432   14.079   34.803   1.4978   34.945   1.5000 -0.1420441 2.119819 
1 1 1   20    1  -30 o   27.993   1.1747  105.387   8.8324  106.258   12.310  104.463   12.680   28.041   1.6416   27.795   1.7067 0.2457600 2.368084 
1 1 1   20    1  -29 o   14.756   1.9080   29.831   7.3853   23.758   10.133   36.712   10.786   12.990   2.9690   16.291   2.5486 -3.301251 3.912882 
1 1 1   20    1  -28 o   64.085   0.9762  552.011   16.803  559.114   23.883  545.049   23.644   64.469   1.3792   63.653   1.3830 0.8162918 1.953174 
1 1 1   20    1  -27 o   55.872   0.9566  419.550   14.356  423.775   20.329  415.348   20.276   56.132   1.3484   55.570   1.3585 0.5615234 1.914042 
1 1 1   20    1  -26 o   52.634   0.9584  372.310   13.549  366.793   19.153  377.837   19.169   52.223   1.3655   53.005   1.3464 -0.7814827 1.917642 
1 1 1   20    1  -25 o   72.436   1.4111  705.677   27.454  707.044   38.914  704.323   38.739   72.453   1.9997   72.314   1.9945 0.1389847 2.824321 
1 1 1   20    1  -24 o   34.229   1.4765  157.578   13.574  147.590   18.995  168.004   19.406   33.029   2.1529   35.258   2.0582 -2.229633 2.978444 
1 1 1   20    1  -23 o   96.414   1.1326  1249.38   29.330  1254.12   41.542  1244.67   41.416   96.557   1.6018   96.192   1.6030 0.3645172 2.266145 
1 1 1   20    1  -22 o   30.125   1.0818  121.962   8.7535  133.343   12.411  110.697   12.348   31.490   1.4674   28.643   1.6115 2.847313 2.179505 
1 1 1   20    1  -21 o  100.178   1.1563  1348.72   31.112  1347.88   44.023  1349.56   43.976  100.111   1.6372  100.174   1.6344 -0.6277466E-01 2.313406 
1 1 1   20    1  -20 o  162.641   1.6487  3557.18   72.023  3599.75  102.519  3515.69  101.204  163.502   2.3345  161.582   2.3319 1.919708 3.299636 
1 1 1   20    1  -19 o  119.302   2.1139  1915.26   67.736  1815.00  114.242  1969.62   84.117  115.903   3.6697  120.922   2.5899 -5.018745 4.491626 
1 1 1   20    1  -18 o   46.661   1.3242  292.601   16.596  291.554   23.286  293.682   23.659   46.561   1.8620   46.729   1.8850 -0.1688156 2.649610 
1 1 1   20    1  -17 o  137.869   1.4375  2554.66   53.233  2541.29   75.049  2568.19   75.519  137.455   2.0328  138.180   2.0348 -0.7253571 2.876205 
1 1 1   20    1  -16 o  103.866   1.1732  1449.48   32.729  1470.03   46.586  1429.46   45.992  104.574   1.6586  103.121   1.6605 1.453201 2.346961 
1 1 1   20    1  -15 o   55.119   0.9201  408.116   13.622  429.971   19.562  387.541   18.980   56.568   1.2875   53.704   1.3159 2.864193 1.840971 
1 1 1   20    1  -14 f  122.601   1.3119  2019.65   43.201  2041.78   61.469  1998.06   60.729  123.239   1.8570  121.913   1.8546 1.326393 2.624515 
1 1 1   20    1  -13 o   90.809   1.0784  1107.81   26.302  1093.53   37.013  1122.37   37.383   90.207   1.5276   91.389   1.5229 -1.181923 2.157085 
1 1 1   20    1  -12 f   33.168   1.0964  147.788   9.7674  156.250   12.830  136.124   15.064   34.101   1.4008   31.775   1.7721 2.326149 2.258885 
1 1 1   20    1  -11 o  227.094   1.7992  6931.47  109.743  6898.68  154.729  6964.67  155.676  226.464   2.5438  227.544   2.5472 -1.080048 3.599881 
1 1 1   20    1  -10 o   83.284   0.8490  931.661   18.992  925.330   25.709  939.266   28.179   82.994   1.1533   83.614   1.2547 -0.6202164 1.704254 
1 1 1   20    1   -9 o   57.900   0.7436  450.272   11.564  449.868   17.118  450.610   15.683   57.870   1.1013   57.919   1.0081 -0.4903030E-01 1.493076 
1 1 1   20    1   -8 o   82.648   0.8143  917.462   18.076  918.612   25.582  916.315   25.544   82.693   1.1518   82.590   1.1515 0.1034317 1.628677 
1 1 1   20    1   -7 o  105.260   0.9450  1488.22   26.717  1484.42   37.729  1492.06   37.837  105.115   1.3363  105.385   1.3367 -0.2700653 1.890156 
1 1 1   20    1   -6 o  100.517   1.0103  1357.17   27.275  1348.31   38.485  1366.12   38.661  100.178   1.4303  100.837   1.4275 -0.6595993 2.020746 
1 1 1   20    1   -5 o  159.938   1.3135  3436.51   56.425  3395.72   79.254  3478.45   80.352  158.958   1.8563  160.883   1.8595 -1.924500 2.627450 
1 1 1   20    1   -4 o  209.705   1.7452  5909.39   98.298  5875.72  145.278  5937.82  133.497  209.030   2.5876  210.155   2.3650 -1.124832 3.505587 
1 1 1   20    1   -3 o   77.102   0.9712  798.494   20.112  840.140   28.871  759.227   28.034   79.080   1.3593   75.175   1.3884 3.905052 1.943014 
1 1 1   20    1   -2 o  221.855   2.0324  6615.33  121.109  6491.47  179.467  6718.90  164.109  219.659   3.0419  223.513   2.7336 -3.853485 4.089713 
1 1 1   20    1   -1 o  205.528   2.1496  5677.94  118.664  5855.45  160.027  5461.11  176.865  208.644   2.8556  201.447   3.2688 7.197281 4.340451 
1 1 1   20    1    0 o  126.446   1.1893  2147.78   40.391  2187.23   52.702  2091.62   62.880  127.590   1.5379  124.756   1.8765 2.833595 2.426186 
1 1 1   20    1    1 o  209.360   1.9290  5890.63  108.469  6014.10  134.577  5661.69  183.253  211.504   2.3690  205.106   3.3264 6.398483 4.083786 
1 1 1   20    1    2 o  249.035   2.1492  8336.27  143.757  8346.32  203.450  8326.24  203.156  249.072   3.0412  248.773   3.0404 0.2996216 4.300331 
1 1 1   20    1    3 o   83.869   1.0896  944.860   24.546  973.888   33.053  909.165   36.652   85.140   1.4454   82.257   1.6589 2.883148 2.200279 
1 1 1   20    1    4 o  144.371   1.3241  2800.11   51.346  2837.51   73.138  2763.77   72.102  145.307   1.8740  143.406   1.8719 1.900482 2.648760 
1 1 1   20    1    5 o  275.723   2.3664 10221.21  175.249 10337.27  227.861 10053.13  274.202  277.178   3.0607  273.215   3.7366 3.963348 4.830108 
1 1 1   20    1    6 o   53.407   0.7555  383.093   10.837  393.447   14.654  370.596   16.099   54.121   1.0081   52.524   1.1412 1.596737 1.522663 
1 1 1   20    1    7 o  131.498   1.1218  2322.82   39.619  2350.39   56.441  2296.04   55.629  132.258   1.5888  130.720   1.5844 1.537781 2.243814 
1 1 1   20    1    8 o  208.475   1.8233  5841.06  102.093  5867.36  144.802  5815.06  143.965  208.867   2.5811  207.934   2.5777 0.9325409 3.647882 
1 1 1   20    1    9 o  172.416   1.4050  3994.06   65.064  3948.30   91.373  4041.13   92.669  171.387   1.9849  173.389   1.9899 -2.002502 2.810607 
1 1 1   20    1   10 o   75.175   0.7933  759.056   16.018  760.350   22.643  757.760   22.662   75.233   1.1205   75.105   1.1234 0.1283035 1.586721 
1 1 1   20    1   11 o   28.346   0.8418  107.926   6.4087  112.072   9.0228  103.705   9.1042   28.883   1.1631   27.784   1.2200 1.099497 1.685576 
1 1 1   20    1   12 f   66.473   0.7954  593.505   14.200  597.519   19.172  588.627   21.136   66.693   1.0703   66.192   1.1889 0.5004196 1.599653 
1 1 1   20    1   13 o  129.054   1.2756  2237.70   44.216  2250.16   59.478  2222.31   66.108  129.389   1.7115  128.572   1.9143 0.8164063 2.567833 
1 1 1   20    1   14 f   60.674   0.8966  494.513   14.611  480.696   20.344  509.231   20.997   59.814   1.2664   61.563   1.2698 -1.749691 1.793361 
1 1 1   20    1   15 o   71.008   0.8158  677.273   15.559  687.950   21.127  664.618   23.001   71.559   1.0992   70.332   1.2176 1.227013 1.640351 
1 1 1   20    1   16 o   77.295   0.8421  802.555   17.483  812.729   23.788  790.603   25.782   77.776   1.1387   76.706   1.2514 1.069580 1.691933 
1 1 1   20    1   17 o  101.697   0.9804  1389.41   26.779  1405.24   36.410  1370.76   39.524  102.259   1.3256  100.990   1.4571 1.269333 1.969883 
1 1 1   20    1   18 o  206.518   1.8129  5735.39  100.557  5755.47  130.002  5705.48  158.659  206.786   2.3406  205.770   2.8707 1.016357 3.704008 
1 1 1   20    1   19 o   69.841   0.9040  655.296   16.958  676.601   25.774  639.032   22.520   70.951   1.3525   68.958   1.2159 1.992523 1.818656 
1 1 1   20    1   20 o   62.755   0.7920  529.047   13.350  521.563   17.873  538.491   20.078   62.302   1.0681   63.301   1.1809 -0.9989929 1.592276 
1 1 1   20    1   21 o   39.182   0.9465  206.279   9.9607  206.625   13.895  205.914   14.286   39.206   1.3195   39.138   1.3590 0.6863403E-01 1.894214 
1 1 1   20    1   22 o   17.119   1.4890   39.705   6.7783   48.747   10.372   32.964   8.9554   18.915   2.0756   15.489   2.2157 3.426208 3.036015 
1 1 1   20    1   23 o  120.334   1.1044  1946.16   35.694  1959.68   53.136  1935.04   48.184  120.695   1.6391  119.951   1.4956 0.7440720 2.218868 
1 1 1   20    1   24 o   37.004   0.8027  183.970   7.9775  174.838   11.825  191.598   10.807   36.063   1.2208   37.757   1.0657 -1.693546 1.620508 
1 1 1   20    1   25 o   44.879   0.7722  270.601   9.3076  264.007   13.803  276.099   12.604   44.316   1.1597   45.324   1.0354 -1.008072 1.554596 
1 1 1   20    1   26 o   88.107   0.9915  1043.31   23.463  1052.99   35.432  1035.74   31.313   88.472   1.4911   87.760   1.3284 0.7117920 1.996991 
1 1 1   20    1   27 o   66.099   0.8767  587.130   15.565  581.625   23.444  591.469   20.815   65.762   1.3273   66.327   1.1684 -0.5651398 1.768318 
1 1 1   20    1   28 o   66.039   0.7723  586.004   13.698  586.216   19.427  585.794   19.318   66.034   1.0953   66.010   1.0896 0.2336884E-01 1.544974 
1 1 1   20    1   29 o   95.108   0.9115  1215.75   23.284  1227.06   33.083  1204.65   32.777   95.511   1.2896   94.634   1.2895 0.8761902 1.823736 
1 1 1   20    1   30 o   39.991   0.7724  214.910   8.2961  210.307   11.620  219.696   11.849   39.548   1.0939   40.421   1.0914 -0.8732491 1.545228 
1 1 1   20    1   31 o   17.894   1.2006   43.266   5.7368   49.330   8.0551   37.024   8.1723   19.072   1.5869   16.464   1.8819 2.608398 2.461638 
1 1 1   20    1   32 o   61.867   0.7818  514.439   12.991  508.711   18.230  520.347   18.516   61.497   1.1037   62.196   1.1084 -0.6989441 1.564167 
1 1 1   20    1   33 o   45.868   0.7729  282.789   9.5214  266.088   13.214  300.822   13.731   44.472   1.1063   47.288   1.0811 -2.815525 1.546813 
1 1 1   20    1   34 o   83.693   0.9506  942.054   21.368  926.247   29.991  958.352   30.453   82.926   1.3465   84.351   1.3441 -1.425323 1.902576 
1 1 1   20    1   35 o   21.471   1.1887   62.256   6.8283   80.139   10.518   49.227   8.9775   24.318   1.6196   19.010   1.7789 5.307844 2.405709 
1 1 1   20    1   36 o   42.112   0.8243  238.470   9.3234  244.136   13.519  233.331   12.876   42.580   1.1821   41.630   1.1515 0.9500198 1.650224 
1 1 1   20    1   37 o   48.803   0.8621  320.344   11.301  308.092   16.212  331.923   15.760   47.820   1.2623   49.644   1.1820 -1.824883 1.729254 
1 1 1   20    1   38 o   33.348   0.9440  149.635   8.4553  153.828   11.092  143.818   13.065   33.790   1.2221   32.647   1.4899 1.143185 1.926994 
1 1 1   20    1   39 o   58.664   0.8533  462.943   13.446  442.931   17.656  490.567   20.745   57.344   1.1464   60.327   1.2803 -2.982716 1.718504 
1 1 1   20    1   40 o   79.554   1.0053  852.011   21.480  851.957   29.081  852.076   31.864   79.470   1.3624   79.439   1.4934 0.3029633E-01 2.021496 
1 1 1   20    1   41 o   9.6081   2.6512   13.015   7.0651   11.577   8.5567   16.096   12.524   9.2951   3.0057   10.985   3.6411 -1.690102 4.721416 
1 1 1   20    1   42 o   32.237   0.9833  139.951   8.5142  146.338   11.445  132.036   12.741   32.931   1.2939   31.253   1.5178 1.678574 1.994494 
1 1 1   20    1   43 o   34.824   1.3268  163.754   12.410  144.957   21.339  173.361   15.256   32.459   2.4661   35.789   1.5870 -3.329624 2.932671 
1 1 1   20    1   44 o   22.754   1.2745   70.121   7.7575   60.883   11.298   78.362   10.671   21.056   2.0225   23.989   1.6665 -2.932774 2.620643 
1 1 1   20    1   45 o   12.752   1.9783   22.636   6.5565   13.789   9.1840   31.833   9.3632   9.9709   3.1005   15.072   2.3929 -5.101125 3.916506 
1 1 1   20    1   46 o   45.620   0.9064  280.317   11.107  271.879   16.505  287.301   15.015   44.844   1.3703   46.132   1.2118 -1.287846 1.829291 
1 1 1   20    1   47 o   21.324   1.3028   61.668   7.4262   62.672   10.557   60.684   10.449   21.393   1.8557   21.045   1.8679 0.3471680 2.632960 
1 1 1   20    1   48 o   49.872   0.8739  334.969   11.707  328.957   16.624  340.884   16.488   49.348   1.2542   50.242   1.2219 -0.8941231 1.750988 
1 1 1   20    1   49 o   29.704   1.1448  119.112   9.1335  123.873   14.132  115.697   11.969   30.137   1.7534   29.176   1.5328 0.9615421 2.328895 
1 1 1   20    1   50 o   9.0010   3.0773   10.588   8.9423 -11.5333   14.765   23.402   11.238   7.0213   3.2604   12.668   3.2777 -5.646947 4.623150 
1 1 1   20    1   51 o   19.521   1.5654   52.129   8.1384   53.815   10.560   49.663   12.772   19.718   2.0226   18.750   2.6066 0.9677143 3.299237 
1 1 1   20    1   52 o   39.063   1.1960  206.663   12.548  206.700   14.832  206.571   23.535   39.000   1.4159   38.566   2.2822 0.4344788 2.685760 
1 1 1   20    1   53 o   24.291   1.2811   80.360   8.3291   82.612   11.708   78.051   11.852   24.470   1.7939   23.752   1.8729 0.7172165 2.593426 
1 1 1   20    1   54 o   9.4667   3.1886   12.566   9.5995   8.5815   17.352   14.324   11.523   9.9193   4.0703   10.109   3.4917 -0.1893749 5.362716 
1 1 1   20    1   55 o   16.087   2.2885   37.045   9.6093   35.461   12.988   38.962   14.284   15.278   3.2642   15.939   3.4374 -0.6616993 4.740310 
1 1 1   20    1   56 o   8.5461   3.0488   9.8647   8.8346   5.2803   12.705   14.156   12.293   8.3348   3.4576   9.9888   3.5928 -1.654066 4.986326 
1 1 1   20    2  -53 o   20.778   5.6472   74.720   32.340   0.0000   0.0000   74.720   32.340  ?   ?    20.778   5.6472 0.000000 5.647178 
1 1 1   20    2  -52 o   31.612   2.2240  139.183   18.763  111.300   38.599  147.810   21.471   25.817   5.7172   32.441   2.4829 -6.623583 6.233057 
1 1 1   20    2  -51 o   14.600   3.1911   31.299   12.164   37.520   17.789   25.837   16.670   15.683   4.1563   13.198   4.1877 2.485115 5.900150 
1 1 1   20    2  -50 o   22.645   1.9033   70.538   11.469   67.615   14.633   75.194   18.468   21.971   2.5256   22.970   3.0702 -0.9989643 3.975502 
1 1 1   20    2  -49 o   35.443   1.2431  169.827   11.834  155.433   16.550  184.884   16.927   33.730   1.8337   36.873   1.7092 -3.143166 2.506701 
1 1 1   20    2  -48 o   7.7499   2.9990   5.6364   8.8863   6.9310   12.548   4.3338   12.587   8.9467   3.5336   8.4855   3.4725 0.4612303 4.954248 
1 1 1   20    2  -47 o   34.432   1.4509  160.467   13.418  155.762   20.357  164.081   17.842   33.664   2.2646   34.664   1.9239 -1.000252 2.971484 
1 1 1   20    2  -46 o   13.977   2.8933   27.967   10.504   26.816   13.712   29.602   16.340   13.566   3.6730   14.221   4.0710 -0.6548414 5.483036 
1 1 1   20    2  -45 o   16.504   2.0204   37.647   8.7694   38.840   12.618   36.533   12.196   16.521   2.9520   16.013   2.9440 0.5075893 4.169127 
1 1 1   20    2  -44 f   50.185   1.1330  339.746   15.271  341.522   22.748  338.289   20.604   50.179   1.6879   49.984   1.5348 0.1952591 2.281310 
1 1 1   20    2  -43 o   37.025   1.3284  185.182   13.211  196.020   16.753  167.365   21.481   38.035   1.6399   34.923   2.3030 3.111736 2.827233 
1 1 1   20    2  -42 o   47.294   1.1955  301.709   15.187  310.356   19.850  289.505   23.583   47.897   1.5430   46.172   1.9016 1.724407 2.448885 
1 1 1   20    2  -41 o   28.920   1.3877  112.930   10.779  106.102   14.944  120.334   15.562   27.880   2.0091   29.710   1.9612 -1.830521 2.807645 
1 1 1   20    2  -40 o   62.285   1.0398  522.458   17.395  509.703   24.506  535.411   24.695   61.430   1.4852   62.967   1.4602 -1.536163 2.082816 
1 1 1   20    2  -39 o   34.360   1.1350  159.045   10.474  152.230   14.440  166.612   15.217   33.564   1.6017   35.112   1.6135 -1.548077 2.273519 
1 1 1   20    2  -38 o   48.520   1.0293  316.917   13.414  316.986   18.828  316.846   19.116   48.468   1.4463   48.454   1.4689 0.1428223E-01 2.061401 
1 1 1   20    2  -37 o   42.928   1.2424  248.307   14.325  243.364   17.595  258.023   24.670   42.461   1.5428   43.625   2.1054 -1.164253 2.610198 
1 1 1   20    2  -36 o   77.360   1.2300  806.198   25.557  783.753   44.194  817.474   31.325   76.030   2.1642   77.841   1.4983 -1.811317 2.632197 
1 1 1   20    2  -35 o   37.235   1.0919  186.625   10.920  191.917   15.649  181.602   15.245   37.716   1.5448   36.688   1.5471 1.027901 2.186313 
1 1 1   20    2  -34 o   11.743   2.4828   19.418   7.5863   6.4020   10.286   34.942   11.234   8.3800   3.2311   15.805   2.7459 -7.425061 4.240299 
1 1 1   20    2  -33 o   42.207   1.2294  239.825   13.937  246.911   22.571  235.459   17.718   42.743   1.9660   41.787   1.5787 0.9562569 2.521403 
1 1 1   20    2  -32 o   42.866   1.1444  247.247   13.176  229.712   16.106  282.723   22.909   41.294   1.4522   45.765   1.8637 -4.471550 2.362641 
1 1 1   20    2  -31 o   39.531   1.0223  210.150   10.854  207.844   15.173  212.567   15.532   39.287   1.4379   39.729   1.4556 -0.4425545 2.046069 
1 1 1   20    2  -30 o   26.908   1.2205   97.406   8.8208  106.298   12.394   88.279   12.557   28.040   1.6529   25.522   1.8442 2.518583 2.476543 
1 1 1   20    2  -29 o   46.948   0.9834  296.306   12.401  305.949   17.594  286.785   17.482   47.682   1.3738   46.162   1.4100 1.520050 1.968584 
1 1 1   20    2  -28 o   81.131   1.0543  884.927   22.975  884.431   32.647  885.414   32.337   81.063   1.4995   81.109   1.4844 -0.4682159E-01 2.109919 
1 1 1   20    2  -27 o   29.362   1.1274  115.915   8.8912  117.783   12.667  114.101   12.483   29.537   1.6027   29.070   1.6050 0.4669018 2.268152 
1 1 1   20    2  -26 o  110.597   1.2345  1644.78   36.671  1687.76   52.593  1604.11   51.159  111.960   1.7489  109.150   1.7451 2.809181 2.470625 
1 1 1   20    2  -25 o   32.043   1.0857  138.017   9.3442  138.636   13.177  137.391   13.252   32.100   1.5284   31.955   1.5441 0.1450481 2.172584 
1 1 1   20    2  -24 o   38.707   1.2445  201.438   12.938  227.178   20.745  185.052   16.552   41.075   1.8804   37.082   1.6618 3.992485 2.509481 
1 1 1   20    2  -23 o   11.692   3.0166   19.173   9.5364   33.421   13.658   5.6188   13.321   15.416   3.3907   9.0816   3.6238 6.334487 4.962755 
1 1 1   20    2  -22 o   34.289   1.0309  158.004   9.4938  154.859   13.268  161.304   13.591   33.934   1.4557   34.633   1.4611 -0.6987343 2.062461 
1 1 1   20    2  -21 o   53.942   0.9324  390.975   13.510  409.874   19.238  372.588   18.976   55.217   1.2972   52.643   1.3420 2.573292 1.866457 
1 1 1   20    2  -20 f   40.794   0.9687  223.609   10.614  239.433   14.940  207.482   15.082   42.203   1.3180   39.283   1.4294 2.920078 1.944292 
1 1 1   20    2  -19 o   51.277   0.9362  353.267   12.895  348.513   17.989  358.291   18.492   50.919   1.3154   51.628   1.3336 -0.7087555 1.873103 
1 1 1   20    2  -18 o  133.767   1.6244  2406.08   58.362  2393.65   71.327  2431.27  101.516  133.379   1.9910  134.296   2.8143 -0.9172668 3.447422 
1 1 1   20    2  -17 o   59.961   1.3327  483.216   21.464  526.805   31.347  444.741   29.451   62.584   1.8648   57.501   1.9069 5.082809 2.667189 
1 1 1   20    2  -16 o  107.961   1.3872  1566.50   40.226  1612.66   70.693  1544.40   48.918  109.455   2.4046  107.175   1.6993 2.279282 2.944485 
1 1 1   20    2  -15 o   37.806   0.9659  192.011   9.8081  206.842   13.880  177.220   13.862   39.233   1.3172   36.313   1.4212 2.919746 1.937731 
1 1 1   20    2  -14 o   17.621   1.5018   42.033   7.0396   49.066   9.8880   34.805   10.025   19.000   1.9660   15.902   2.4237 3.098250 3.120811 
1 1 1   20    2  -13 o  126.623   1.3435  2154.47   45.692  2112.32   63.964  2198.39   65.294  125.341   1.9000  127.869   1.9012 -2.527786 2.687798 
1 1 1   20    2  -12 o   82.951   1.0306  924.365   22.962  927.741   32.591  921.037   32.356   83.088   1.4604   82.788   1.4551 0.3005219 2.061590 
1 1 1   20    2  -11 o   72.459   0.8044  705.219   15.654  712.088   21.180  696.947   23.241   72.805   1.0831   72.024   1.2014 0.7809906 1.617531 
1 1 1   20    2  -10 o   84.867   0.8309  967.447   18.940  968.241   26.813  966.657   26.758   84.894   1.1759   84.825   1.1745 0.6943512E-01 1.661954 
1 1 1   20    2   -9 o  119.814   1.0404  1928.41   33.480  1936.94   47.460  1919.97   47.238  120.061   1.4717  119.534   1.4713 0.5270538 2.081046 
1 1 1   20    2   -8 o  128.597   1.0981  2221.57   37.929  2208.95   53.508  2234.32   53.772  128.212   1.5538  128.946   1.5526 -0.7342682 2.196570 
1 1 1   20    2   -7 o   93.114   1.1546  1164.76   28.875  1201.02   44.506  1138.40   37.945   94.532   1.7528   92.043   1.5349 2.489532 2.329876 
1 1 1   20    2   -6 f   61.800   0.7283  512.971   12.089  525.837   17.214  500.449   16.982   62.566   1.0243   61.037   1.0359 1.529228 1.456819 
1 1 1   20    2   -5 o   80.609   0.8086  872.764   17.507  875.552   24.815  870.001   24.703   80.732   1.1444   80.475   1.1429 0.2563171 1.617324 
1 1 1   20    2   -4 o  114.412   1.0058  1758.36   30.909  1754.17   43.672  1762.56   43.752  114.263   1.4230  114.535   1.4222 -0.2727280 2.011877 
1 1 1   20    2   -3 o   19.309   1.0225   50.225   5.2844   43.382   7.8948   55.779   7.1127   17.891   1.6619   20.334   1.3093 -2.443220 2.115719 
1 1 1   20    2   -2 o  231.954   2.4041  7234.79  149.776  7210.99  228.254  7252.78  198.483  231.373   3.6729  232.129   3.1835 -0.7562103 4.860559 
1 1 1   20    2   -1 o  168.813   1.6875  3829.55   76.514  3985.15  128.052  3743.15   95.421  172.116   2.7700  166.867   2.1290 5.249619 3.493629 
1 1 1   20    2    0 f  121.652   1.1013  1988.00   35.984  2003.69   53.616  1975.15   48.540  122.111   1.6347  121.244   1.4905 0.8666992 2.212249 
1 1 1   20    2    1 o   77.896   0.8721  815.007   18.246  824.632   26.094  805.800   25.522   78.347   1.2400   77.448   1.2269 0.8994980 1.744392 
1 1 1   20    2    2 o  103.291   0.9399  1433.09   26.076  1441.25   37.023  1425.06   36.733  103.574   1.3309  102.991   1.3279 0.5831070 1.880007 
1 1 1   20    2    3 o   56.875   0.7519  434.471   11.486  429.952   16.898  438.352   15.660   56.574   1.1121   57.125   1.0206 -0.5512505 1.509435 
1 1 1   20    2    4 o  196.525   1.6476  5190.00   86.969  5215.30  118.112  5160.03  128.532  196.952   2.2328  195.884   2.4430 1.068405 3.309589 
1 1 1   20    2    5 o   78.266   0.8793  822.779   18.484  814.683   25.968  831.094   26.315   77.873   1.2415   78.653   1.2457 -0.7803192 1.758703 
1 1 1   20    2    6 f   61.169   0.7715  502.564   12.675  499.038   17.104  506.860   18.877   60.951   1.0448   61.425   1.1442 -0.4742355 1.549436 
1 1 1   20    2    7 o  147.503   1.6127  2923.76   63.892  2925.21   75.636  2920.15  119.382  147.520   1.9089  147.294   3.0176 0.2266235 3.570698 
1 1 1   20    2    8 o  115.852   1.0679  1802.98   33.228  1771.40   44.542  1842.62   49.897  114.818   1.4443  117.097   1.5865 -2.278877 2.145462 
1 1 1   20    2    9 o   82.454   0.8656  913.206   19.171  916.899   25.922  908.747   28.482   82.614   1.1682   82.242   1.2894 0.3712692 1.739880 
1 1 1   20    2   10 o   56.132   0.7643  423.213   11.523  423.855   15.490  422.418   17.243   56.171   1.0267   56.074   1.1449 0.9733582E-01 1.537837 
1 1 1   20    2   11 o   96.759   0.9469  1257.63   24.608  1232.98   32.925  1288.83   37.041   95.795   1.2796   97.936   1.4081 -2.140617 1.902718 
1 1 1   20    2   12 o   80.323   0.8593  866.653   18.538  877.483   25.160  853.789   27.421   80.816   1.1591   79.714   1.2807 1.102196 1.727335 
1 1 1   20    2   13 o  202.504   1.8724  5513.47  101.843  5515.59  136.621  5510.83  152.786  202.451   2.5125  202.311   2.8117 0.1397552 3.770732 
1 1 1   20    2   14 o  122.479   1.1145  2015.47   36.664  1980.38   49.099  2059.70   55.125  121.387   1.5059  123.784   1.6580 -2.396751 2.239856 
1 1 1   20    2   15 o   80.687   0.8597  874.561   18.630  866.113   24.989  885.133   27.954   80.287   1.1588   81.160   1.2824 -0.8722000 1.728389 
1 1 1   20    2   16 o   80.233   0.8189  864.736   17.647  867.250   24.910  862.204   25.003   80.339   1.1544   80.104   1.1621 0.2343445 1.638007 
1 1 1   20    2   17 o   83.779   0.8377  942.908   18.850  939.743   26.638  946.084   26.678   83.626   1.1860   83.907   1.1838 -0.2817764 1.675643 
1 1 1   20    2   18 o   86.809   0.8556  1012.38   19.949  1024.91   28.322  1000.03   28.104   87.329   1.2074   86.263   1.2130 1.066803 1.711505 
1 1 1   20    2   19 o   34.579   0.7733  160.625   7.1821  162.042   10.004  159.117   10.318   34.726   1.0725   34.410   1.1164 0.3156281 1.548084 
1 1 1   20    2   20 f   47.897   0.7291  308.180   9.3800  300.020   13.062  316.869   13.478   47.251   1.0292   48.560   1.0334 -1.308582 1.458496 
1 1 1   20    2   21 o   21.952   1.1138   64.932   6.5458   59.399   9.0340   71.047   9.4977   20.952   1.6179   22.932   1.5512 -1.979721 2.241339 
1 1 1   20    2   22 o   69.265   0.8671  644.615   16.131  631.897   25.305  653.321   20.936   68.552   1.3743   69.719   1.1180 -1.167152 1.771661 
1 1 1   20    2   23 o  150.215   1.4471  3034.84   58.386  3020.69   87.282  3046.30   78.547  149.726   2.1704  150.409   1.9443 -0.6828613 2.913909 
1 1 1   20    2   24 o   74.312   0.8429  742.022   16.824  724.158   24.725  757.423   22.957   73.388   1.2543   75.063   1.1387 -1.674507 1.694102 
1 1 1   20    2   25 o   23.665   0.9396   75.263   5.9721   76.080   8.4538   74.449   8.4380   23.748   1.3307   23.490   1.3430 0.2577972 1.890636 
1 1 1   20    2   26 o   80.614   0.9524  873.407   20.621  865.867   30.881  879.475   27.703   80.226   1.4331   80.869   1.2754 -0.6426392 1.918457 
1 1 1   20    2   27 o   64.954   0.8108  566.935   14.145  559.888   21.103  572.684   19.061   64.525   1.2176   65.267   1.0873 -0.7421036 1.632465 
1 1 1   20    2   28 o   62.080   0.8021  517.896   13.375  515.492   19.923  519.868   18.046   61.912   1.1981   62.182   1.0805 -0.2704048 1.613372 
1 1 1   20    2   29 o   88.372   0.8756  1049.67   20.784  1046.27   29.360  1053.09   29.426   88.192   1.2395   88.480   1.2382 -0.2873459 1.751991 
1 1 1   20    2   30 o   44.920   0.7574  271.164   9.1377  269.471   12.796  272.927   13.054   44.764   1.0642   45.050   1.0788 -0.2852554 1.515397 
1 1 1   20    2   31 o   10.226   1.9735   14.589   5.2238   19.307   7.2991   9.6351   7.4794   11.736   2.3966   8.5946   2.8121 3.141227 3.694854 
1 1 1   20    2   32 o   53.279   0.8013  381.575   11.467  407.224   17.420  361.962   15.233   55.010   1.1790   51.870   1.0934 3.139694 1.607932 
1 1 1   20    2   33 o   28.427   1.1115  108.743   8.4862  109.050   13.271  108.531   11.038   28.372   1.7500   28.342   1.4549 0.2968407E-01 2.275820 
1 1 1   20    2   34 o   16.380   1.3648   36.399   5.9497   38.814   8.4586   34.034   8.3704   16.841   1.9034   15.735   2.0278 1.106327 2.781177 
1 1 1   20    2   35 o   63.418   0.7958  540.784   13.555  526.455   18.979  555.705   19.367   62.534   1.1300   64.249   1.1223 -1.714836 1.592572 
1 1 1   20    2   36 o   18.675   1.2373   47.190   6.1711   42.641   8.4966   52.269   8.9778   17.668   1.8163   19.595   1.7234 -1.926609 2.503814 
1 1 1   20    2   37 o   31.553   0.8951  133.936   7.5861  143.640   10.626  123.848   10.834   32.653   1.2116   30.310   1.3308 2.342819 1.799684 
1 1 1   20    2   38 o   47.820   0.8684  307.633   11.154  319.012   14.715  292.262   17.103   48.668   1.1257   46.551   1.3678 2.117023 1.771489 
1 1 1   20    2   39 o   54.004   0.9721  392.559   14.100  400.811   18.730  381.764   21.421   54.523   1.2790   53.172   1.4999 1.350670 1.971167 
1 1 1   20    2   40 o   5.6424   2.4134  -0.1580   6.5001   4.9047   8.0862  -9.4038   10.928   7.3892   2.8604   6.0272   2.8008 1.361987 4.003307 
1 1 1   20    2   41 o   38.208   0.8893  196.489   9.1262  192.463   12.308  201.406   13.602   37.778   1.2130   38.632   1.3108 -0.8542900 1.785940 
1 1 1   20    2   42 o   29.828   1.2006  120.020   9.6189  122.424   12.958  117.068   14.356   30.030   1.6124   29.318   1.8323 0.7124043 2.440720 
1 1 1   20    2   43 o   40.130   0.9472  216.914   10.210  212.653   13.489  222.630   15.622   39.687   1.2654   40.577   1.4334 -0.8899078 1.912024 
1 1 1   20    2   44 f   47.852   0.9011  308.390   11.581  316.799   17.281  301.534   15.603   48.420   1.3288   47.260   1.2292 1.159996 1.810186 
1 1 1   20    2   45 o   18.894   1.5654   48.688   7.8724   47.231   12.122   49.751   10.353   18.385   2.5213   18.995   2.0622 -0.6107979 3.257275 
1 1 1   20    2   46 o   45.203   0.8790  275.190   10.672  268.614   14.984  281.960   15.203   44.595   1.2510   45.692   1.2388 -1.096951 1.760545 
1 1 1   20    2   47 o   12.754   2.1849   22.827   7.2155   9.8977   10.535   34.251   9.9028   9.1429   3.3206   15.624   2.4395 -6.480877 4.120442 
1 1 1   20    2   48 o   54.523   0.9513  400.649   13.931  403.377   21.772  398.758   18.127   54.569   1.4855   54.326   1.2423 0.2430191 1.936495 
1 1 1   20    2   49 o   21.340   1.5737   62.134   8.9568   60.828   12.843   63.372   12.498   20.921   2.3248   21.394   2.2067 -0.4726067 3.205285 
1 1 1   20    2   50 o   10.777   2.7681   16.775   8.0549   16.524   11.421   17.024   11.362   10.834   3.4693   10.956   3.4553 -0.1223717 4.896422 
1 1 1   20    2   51 o   21.832   1.6294   65.308   9.4857   62.963   11.293   70.924   17.479   21.328   1.9946   22.255   3.0006 -0.9264965 3.603067 
1 1 1   20    2   52 o   39.723   1.0905  213.566   11.635  202.764   14.795  231.073   18.836   38.599   1.4271   41.089   1.7068 -2.489708 2.224809 
1 1 1   20    2   53 o   28.257   1.5205  109.419   11.497  101.783   14.015  125.136   20.107   27.081   1.9396   29.707   2.5445 -2.626831 3.199458 
1 1 1   20    2   54 o   10.284   2.8681   15.713   8.2212   12.042   12.939   18.197   10.646   9.7347   3.6541   11.001   3.3230 -1.266129 4.939125 
1 1 1   20    2   55 o   22.293   1.5939   68.779   9.4808   68.952   15.717   68.680   11.887   21.707   2.7580   22.079   2.0271 -0.3718281 3.422855 
1 1 1   20    3  -52 o   15.675   4.2639   38.689   18.428   0.0000   0.0000   38.689   18.428  ?   ?    15.675   4.2639 0.000000 4.263896 
1 1 1   20    3  -51 o   8.1320   3.5751  -1.6457   15.085 -29.0200   35.609   4.3416   16.653   10.214   4.8424   9.3074   3.9166 0.9070816 6.228046 
1 1 1   20    3  -50 o   15.103   2.7655   32.772   10.805   47.803   13.613   7.1761   17.764   18.276   2.8675   10.012   4.1145 8.263729 5.015118 
1 1 1   20    3  -49 o   10.522   3.4861   15.223   11.481 -15.3625   16.280   45.483   16.193   7.1057   3.3397   17.618   3.5448 -10.51272 4.870212 
1 1 1   20    3  -48 o   10.408   3.1107   15.378   9.3658   18.040   13.384   12.823   13.111   11.413   3.7631   10.223   3.7057 1.189731 5.281419 
1 1 1   20    3  -47 o   12.900   2.7053   23.794   9.0739   15.158   12.441   33.608   13.263   10.666   3.6298   15.217   3.3368 -4.550795 4.930538 
1 1 1   20    3  -46 o   19.083   2.1808   50.391   10.977   60.717   13.368   29.020   19.231   20.901   2.4264   14.170   4.4981 6.730985 5.110855 
1 1 1   20    3  -45 o   26.338   1.5410   94.303   10.854  103.994   16.286   86.558   14.559   27.489   2.2249   25.075   2.1836 2.414106 3.117352 
1 1 1   20    3  -44 o   28.620   1.3589  110.747   10.446  116.000   14.747  105.457   14.799   29.140   1.8944   27.751   1.9988 1.388344 2.753931 
1 1 1   20    3  -43 o   10.535   3.1729   15.625   9.7168   42.636   15.941  -0.3450   12.257   17.145   3.5773   7.6477   3.2934 9.497647 4.862479 
1 1 1   20    3  -42 o   50.238   1.2308  340.659   16.608  333.500   20.337  354.990   28.775   49.641   1.5253   51.040   2.0990 -1.399113 2.594707 
1 1 1   20    3  -41 o   33.158   1.3305  148.459   11.849  162.650   15.585  129.017   18.242   34.652   1.6745   30.684   2.2286 3.968002 2.787562 
1 1 1   20    3  -40 o   27.996   1.4394  106.145   10.787  105.457   14.743  106.938   15.824   27.799   1.9876   27.964   2.1226 -0.1645794 2.907931 
1 1 1   20    3  -39 o   33.765   1.1833  153.668   10.731  158.437   15.150  148.866   15.203   34.227   1.6480   33.124   1.7146 1.102806 2.378196 
1 1 1   20    3  -38 o   35.528   1.1355  170.044   10.836  160.057   15.176  180.429   15.476   34.410   1.6420   36.543   1.5767 -2.133598 2.276482 
1 1 1   20    3  -37 o   39.362   1.0762  208.629   11.378  208.829   16.214  208.436   15.969   39.327   1.5350   39.293   1.5131 0.3400803E-01 2.155404 
1 1 1   20    3  -36 o   19.592   1.8756   52.408   9.7494   55.971   11.954   45.330   16.848   20.184   2.2429   17.812   3.6444 2.372232 4.279295 
1 1 1   20    3  -35 o   39.358   1.2258  208.680   12.958  214.696   22.768  205.799   15.759   39.739   2.1411   39.055   1.5023 0.6838417 2.615555 
1 1 1   20    3  -34 o   5.7712   2.5140  -1.2987   7.3093  -7.9645   10.235   5.6399   10.442   5.9532   2.7468   8.2515   3.2347 -2.298306 4.243624 
1 1 1   20    3  -33 o   61.722   1.0088  512.559   16.723  523.254   23.838  502.194   23.467   62.306   1.4245   61.038   1.4314 1.267807 2.019401 
1 1 1   20    3  -32 o   37.161   1.2756  185.952   12.732  203.656   21.446  176.316   15.821   38.751   2.0680   36.154   1.6293 2.596348 2.632669 
1 1 1   20    3  -31 f   35.277   1.2492  167.515   11.837  165.776   14.496  170.994   20.503   35.072   1.5389   35.494   2.1609 -0.4222870 2.652886 
1 1 1   20    3  -30 o   16.155   1.7675   35.612   7.5442   34.694   10.518   36.584   10.827   15.806   2.5654   16.240   2.5676 -0.4338255 3.629578 
1 1 1   20    3  -29 o   35.476   1.0588  169.243   10.089  170.766   14.222  167.702   14.314   35.611   1.4870   35.289   1.5102 0.3224258 2.119379 
1 1 1   20    3  -28 o   30.161   1.1187  122.334   9.0629  127.864   12.714  116.621   12.922   30.816   1.5361   29.379   1.6442 1.437008 2.250094 
1 1 1   20    3  -27 o   23.013   1.3401   71.495   8.2474   49.232   11.265   97.218   12.108   18.966   2.2555   26.814   1.6899 -7.847849 2.818335 
1 1 1   20    3  -26 o   71.668   0.9910  690.423   19.076  689.647   26.930  691.204   27.025   71.595   1.4004   71.675   1.4038 -0.8043671E-01 1.982888 
1 1 1   20    3  -25 o   8.6878   2.6589   10.209   6.7847   15.602   9.3449   4.1983   9.8664   10.630   3.0890   7.8266   3.1200 2.803752 4.390514 
1 1 1   20    3  -24 o   82.533   1.0488  915.609   23.249  916.272   32.856  914.944   32.902   82.525   1.4823   82.465   1.4854 0.6012726E-01 2.098521 
1 1 1   20    3  -23 o   98.158   1.1507  1295.29   30.338  1307.22   43.132  1283.60   42.681   98.558   1.6293   97.664   1.6271 0.8940964 2.302640 
1 1 1   20    3  -22 o   91.905   1.5666  1136.40   38.672  1118.48   54.001  1155.26   55.406   91.096   2.2070   92.579   2.2282 -1.482460 3.136222 
1 1 1   20    3  -21 f   50.472   0.9495  342.323   12.871  342.973   18.049  341.651   18.361   50.505   1.3305   50.406   1.3562 0.9858704E-01 1.899855 
1 1 1   20    3  -20 o   94.548   1.1156  1201.47   28.330  1176.57   39.718  1227.27   40.421   93.525   1.5811   95.519   1.5755 -1.994270 2.232110 
1 1 1   20    3  -19 o  139.925   1.4590  2632.74   54.835  2628.06   77.447  2637.44   77.649  139.711   2.0639  139.960   2.0656 -0.2487030 2.919951 
1 1 1   20    3  -18 o   41.029   0.9592  226.191   10.571  240.529   14.970  211.932   14.929   42.300   1.3176   39.704   1.3999 2.596622 1.922458 
1 1 1   20    3  -17 o   95.152   1.2006  1216.81   30.684  1250.76   40.833  1172.77   46.507   96.445   1.5763   93.366   1.8545 3.078560 2.433952 
1 1 1   20    3  -16 o   23.139   1.4910   72.276   9.2172   74.743   11.468   67.776   15.490   23.502   1.8313   22.273   2.6407 1.228256 3.213578 
1 1 1   20    3  -15 o   37.778   1.1093  191.771   11.256  212.352   19.721  181.827   13.708   39.735   1.8478   36.780   1.3876 2.954563 2.310814 
1 1 1   20    3  -14 o  126.114   1.5506  2138.06   52.523  2109.01   90.267  2152.94   64.581  125.131   2.6858  126.521   1.9004 -1.389687 3.290131 
1 1 1   20    3  -13 o   36.697   0.9690  180.919   9.5510  190.565   13.671  171.722   13.349   37.656   1.3517   35.745   1.3903 1.910877 1.939117 
1 1 1   20    3  -12 o   80.968   0.8440  880.650   18.355  893.081   24.872  865.783   27.199   81.529   1.1358   80.269   1.2616 1.260017 1.697557 
1 1 1   20    3  -11 o  118.712   1.0324  1893.25   32.919  1855.42   46.078  1932.69   47.046  117.498   1.4600  119.920   1.4606 -2.421799 2.065230 
1 1 1   20    3  -10 o   56.568   0.7012  429.811   10.653  425.559   15.015  434.122   15.118   56.283   0.9932   56.847   0.9902 -0.5634918 1.402455 
1 1 1   20    3   -9 o   95.231   0.8875  1218.22   22.700  1203.07   31.928  1233.71   32.282   94.625   1.2562   95.823   1.2543 -1.197762 1.775200 
1 1 1   20    3   -8 o  150.440   1.3053  3040.96   52.741  3045.45   78.394  3037.24   71.287  150.505   1.9393  150.317   1.7657 0.1885529 2.622672 
1 1 1   20    3   -7 o   63.493   0.8586  541.517   14.642  564.190   22.277  524.271   19.428   64.801   1.2799   62.469   1.1579 2.331821 1.725980 
1 1 1   20    3   -6 o  121.140   1.0506  1971.40   34.185  1984.24   48.551  1958.77   48.141  121.516   1.4876  120.733   1.4846 0.7822723 2.101613 
1 1 1   20    3   -5 o   76.496   0.7904  785.984   16.240  777.650   22.938  794.361   22.997   76.083   1.1225   76.896   1.1135 -0.8133545 1.581048 
1 1 1   20    3   -4 o  103.433   0.9829  1437.13   27.306  1428.56   36.881  1447.53   40.623  103.113   1.3317  103.791   1.4572 -0.6777802 1.974018 
1 1 1   20    3   -3 f   38.385   0.8351  197.907   8.6100  195.279   15.094  199.175   10.483   38.122   1.4741   38.506   1.0136 -0.3842049 1.788952 
1 1 1   20    3   -2 o  164.209   1.6469  3623.78   72.636  3657.43  103.384  3590.98  102.074  164.911   2.3341  163.407   2.3257 1.504211 3.294961 
1 1 1   20    3   -1 o   52.485   0.8213  370.001   11.577  378.430   17.629  363.609   15.351   53.073   1.2367   52.026   1.0986 1.047497 1.654179 
1 1 1   20    3    0 o  177.210   1.5753  4220.03   74.982  4249.59  119.017  4200.57   96.552  177.744   2.4930  176.763   2.0337 0.9808807 3.217273 
1 1 1   20    3    1 o  183.909   1.5526  4545.04   76.692  4619.75  114.832  4484.89  103.041  185.345   2.3067  182.641   2.1005 2.704102 3.119761 
1 1 1   20    3    2 o   53.826   0.8322  389.158   12.031  387.328   18.265  390.561   15.990   53.693   1.2665   53.919   1.1041 -0.2263756 1.680213 
1 1 1   20    3    3 f   71.349   0.7747  683.762   14.847  681.852   21.021  685.664   20.973   71.243   1.0985   71.442   1.0930 -0.1989975 1.549634 
1 1 1   20    3    4 o   68.295   0.8837  626.521   16.210  654.841   24.899  605.686   21.356   69.813   1.3279   67.145   1.1842 2.668091 1.779190 
1 1 1   20    3    5 o   69.843   0.7678  655.213   14.404  651.721   20.375  658.701   20.365   69.651   1.0891   70.024   1.0828 -0.3721313 1.535804 
1 1 1   20    3    6 o  167.737   1.5847  3781.16   71.396  3780.74  107.035  3781.50   95.831  167.654   2.3769  167.697   2.1276 -0.4316711E-01 3.190058 
1 1 1   20    3    7 o   51.349   0.8016  354.171   11.055  363.221   15.682  345.230   15.588   51.997   1.1228   50.692   1.1449 1.304459 1.603578 
1 1 1   20    3    8 o  119.566   1.0933  1920.57   35.111  1964.42   52.772  1885.75   47.032  120.897   1.6251  118.459   1.4782 2.437523 2.196844 
1 1 1   20    3    9 o   47.578   0.7217  304.050   9.2222  292.184   12.951  316.256   13.136   46.636   1.0339   48.520   1.0079 -1.883507 1.443913 
1 1 1   20    3   10 o   50.222   0.7250  338.790   9.7799  341.482   13.792  336.068   13.870   50.417   1.0185   50.016   1.0325 0.4015236 1.450280 
1 1 1   20    3   11 o   80.485   0.8211  870.153   17.749  871.357   25.082  868.945   25.120   80.532   1.1596   80.420   1.1630 0.1116409 1.642312 
1 1 1   20    3   12 o   71.911   0.8471  694.656   16.361  683.841   23.028  705.678   23.248   71.340   1.2018   72.470   1.1944 -1.130333 1.694357 
1 1 1   20    3   13 o   28.248   0.8412  107.190   6.3826  112.035   8.9946  102.277   9.0586   28.876   1.1597   27.589   1.2225 1.286890 1.685049 
1 1 1   20    3   14 o   70.719   0.8390  671.828   15.936  664.929   22.377  678.928   22.700   70.345   1.1843   71.081   1.1890 -0.7364883 1.678192 
1 1 1   20    3   15 o   94.204   0.8929  1192.21   22.593  1212.83   32.202  1172.22   31.708   94.998   1.2620   93.394   1.2640 1.604103 1.786193 
1 1 1   20    3   16 o  141.071   1.1901  2674.44   45.092  2701.74   64.096  2647.69   63.448  141.741   1.6836  140.316   1.6835 1.425018 2.380930 
1 1 1   20    3   17 o   32.834   0.7844  144.828   6.9178  141.175   9.6046  148.765   9.9721   32.412   1.1033   33.272   1.1159 -0.8597450 1.569192 
1 1 1   20    3   18 o  108.411   0.9783  1579.21   28.487  1594.31   40.442  1564.35   40.133  108.899   1.3827  107.871   1.3852 1.028099 1.957157 
1 1 1   20    3   19 o   63.088   0.7561  534.698   12.813  531.826   17.976  537.663   18.268   62.908   1.0639   63.252   1.0753 -0.3438148 1.512636 
1 1 1   20    3   20 o   25.866   0.9890   89.909   6.8709   97.398   9.5716   81.946   9.8692   26.915   1.3240   24.639   1.4984 2.276369 1.999576 
1 1 1   20    3   21 f   40.094   0.8286  215.987   8.9228  203.486   12.295  229.897   12.969   38.907   1.1766   41.355   1.1676 -2.448166 1.657590 
1 1 1   20    3   22 o   39.655   0.7571  211.268   8.0642  198.371   11.213  225.084   11.606   38.417   1.0867   40.923   1.0559 -2.505993 1.515229 
1 1 1   20    3   23 o   74.035   0.8394  736.510   16.691  729.205   24.694  742.655   22.647   73.643   1.2485   74.326   1.1344 -0.6839142 1.686890 
1 1 1   20    3   24 o   53.208   0.8795  380.442   12.569  382.275   18.901  378.989   16.829   53.314   1.3199   53.092   1.1801 0.2219505 1.770529 
1 1 1   20    3   25 o   42.885   0.8403  247.137   9.6795  253.250   14.453  242.166   13.035   43.396   1.2399   42.440   1.1435 0.9560242 1.686733 
1 1 1   20    3   26 o  110.177   0.9982  1631.74   29.539  1625.52   41.633  1638.05   41.918  109.916   1.4102  110.338   1.4144 -0.4222488 1.997334 
1 1 1   20    3   27 o   25.620   0.9282   88.229   6.3871   93.703   8.9898   82.648   9.0762   26.393   1.2681   24.746   1.3709 1.646952 1.867480 
1 1 1   20    3   28 o   40.324   0.8094  218.522   8.7660  205.203   12.930  229.852   11.925   39.057   1.2325   41.344   1.0739 -2.287563 1.634730 
1 1 1   20    3   29 o   33.846   0.9214  153.997   8.3764  170.651   13.979  144.668   10.463   35.601   1.4620   32.793   1.1879 2.807732 1.883705 
1 1 1   20    3   30 o   60.573   0.8454  493.216   13.753  501.018   21.661  487.946   17.802   61.008   1.3219   60.228   1.1005 0.7793617 1.720025 
1 1 1   20    3   31 f   25.426   0.9738   86.940   6.6502   79.031   9.2612   95.360   9.5552   24.179   1.4324   26.578   1.3429 -2.398159 1.963468 
1 1 1   20    3   32 o   11.663   2.0358   18.920   6.1453   15.268   8.3962   23.133   9.0188   10.435   2.8944   12.811   2.7058 -2.376539 3.962171 
1 1 1   20    3   33 o   4.0019   1.8854  -5.8099   5.2446  -5.1443   7.2202  -6.5533   7.6308   5.0843   2.3316   5.0668   2.3497 0.1750851E-01 3.310197 
1 1 1   20    3   34 o   51.235   0.7852  352.957   10.805  343.537   14.977  363.180   15.603   50.517   1.1038   51.940   1.1184 -1.422512 1.571387 
1 1 1   20    3   35 o   25.326   1.0069   86.317   6.8489   82.478   9.4438   90.576   9.9475   24.689   1.4303   25.875   1.4370 -1.186518 2.027460 
1 1 1   20    3   36 o   20.519   1.2749   56.957   6.9911   51.814   9.0811   64.440   10.954   19.500   1.7526   21.740   1.8949 -2.239647 2.581138 
1 1 1   20    3   37 o   28.193   0.9707  106.974   7.3506   98.893   10.128  115.969   10.685   27.040   1.3993   29.324   1.3567 -2.284208 1.948973 
1 1 1   20    3   38 o   22.963   1.2271   71.273   7.5408   68.269   9.3157   76.984   12.843   22.427   1.5561   23.739   2.0339 -1.311052 2.560925 
1 1 1   20    3   39 o   30.293   0.9407  123.522   7.6537  131.358   10.710  115.342   10.942   31.208   1.2777   29.232   1.3936 1.976095 1.890645 
1 1 1   20    3   40 o   40.379   0.8541  219.420   9.2632  216.190   12.786  222.989   13.439   40.043   1.1888   40.661   1.2305 -0.6189880 1.710978 
1 1 1   20    3   41 o   4.8693   2.2152  -3.8280   6.3491  -3.8611   8.0701  -3.7743   10.286   5.6306   2.5356   6.5005   2.8998 -0.8698683 3.852005 
1 1 1   20    3   42 o   4.2063   1.9959  -7.3573   6.0756   0.3253   8.1610 -16.9095   9.0999   6.3924   2.7184   4.5783   2.2373 1.814137 3.520672 
1 1 1   20    3   43 o   25.391   1.2081   87.025   8.2392   88.982   10.608   84.049   13.080   25.586   1.5510   24.769   1.9827 0.8169193 2.517249 
1 1 1   20    3   44 o   28.670   1.0689  110.850   8.2314   95.870   11.412  127.098   11.885   26.546   1.6081   30.647   1.4438 -4.101290 2.161171 
1 1 1   20    3   45 o   36.707   0.9353  181.547   9.2218  178.625   12.905  184.595   13.183   36.352   1.3217   36.953   1.3282 -0.6012535 1.873773 
1 1 1   20    3   46 o   14.599   2.1385   29.697   8.1366   22.703   13.848   33.384   10.055   12.570   3.7883   15.398   2.5185 -2.827450 4.549065 
1 1 1   20    3   47 o   35.091   0.9834  165.993   9.2688  192.379   13.352  141.453   12.877   37.720   1.3179   32.315   1.4836 5.404785 1.984432 
1 1 1   20    3   48 o   34.185   1.0426  157.662   9.5733  145.810   13.864  168.463   13.235   32.779   1.5747   35.273   1.3970 -2.493393 2.105076 
1 1 1   20    3   49 o   22.387   1.7518   68.673   10.450   67.809   13.855   69.813   15.914   22.063   2.3755   22.270   2.7168 -0.2074928 3.608871 
1 1 1   20    3   50 o   13.173   2.1988   24.500   7.5054   34.257   9.8595   11.054   11.574   15.555   2.4402   9.5124   3.4766 6.042691 4.247482 
1 1 1   20    3   51 o   37.012   1.1594  185.529   11.526  179.373   13.887  199.156   20.663   36.316   1.4238   37.968   2.0336 -1.652248 2.482474 
1 1 1   20    3   52 o   6.0995   2.6261  -0.0067   7.7899   4.0299   10.091  -5.9590   12.254   7.6171   3.1123   6.7444   3.0718 0.8726411 4.372887 
1 1 1   20    3   53 o   21.286   1.6604   62.613   9.4178   69.196   13.394   56.176   13.245   22.113   2.2882   19.780   2.5526 2.333414 3.428078 
1 1 1   20    3   54 o   5.2767   2.4648  -7.1973   8.6386 -29.6306   12.380   14.093   12.060   4.8046   2.3946   10.009   3.5631 -5.204609 4.292928 
1 1 1   20    3   55 o   40.979   1.8162  233.791   19.990  269.400   35.528  217.296   24.181   42.444   3.1388   39.019   2.3177 3.424854 3.901736 
1 1 1   20    4  -52 o   19.118   5.6697   64.520   31.203   0.0000   0.0000   64.520   31.203  ?   ?    19.118   5.6697 0.000000 5.669690 
1 1 1   20    4  -51 o   9.5953   3.9997   6.1174   17.118   0.0000   0.0000   6.1174   17.118  ?   ?    9.5953   3.9997 0.000000 3.999667 
1 1 1   20    4  -50 o   15.160   3.7458   34.702   15.164  -5.5920   35.500   43.695   16.771   11.716   5.2931   17.033   3.7658 -5.316960 6.496067 
1 1 1   20    4  -49 f   29.986   1.5633  122.616   12.547  115.354   15.712  135.400   20.846   28.929   2.0350   31.151   2.5129 -2.221487 3.233589 
1 1 1   20    4  -48 o   18.045   2.0093   45.063   9.5734   51.425   13.464   38.557   13.615   19.080   2.7029   16.305   3.2231 2.775093 4.206417 
1 1 1   20    4  -47 o   6.4856   2.7342   0.9432   8.1402   10.844   11.483  -9.0577   11.541   9.5149   3.4651   6.2434   2.8933 3.271469 4.514264 
1 1 1   20    4  -46 o   15.085   2.3443   31.907   9.1899   32.331   12.577   31.421   13.461   14.946   3.2273   14.674   3.4700 0.2726822 4.738828 
1 1 1   20    4  -45 o   41.320   1.2890  230.754   14.306  225.070   18.276  239.746   22.987   40.720   1.6710   41.917   2.0418 -1.196899 2.638394 
1 1 1   20    4  -44 o   33.772   1.4704  154.432   13.338  121.709   22.752  171.566   16.464   29.504   2.9089   35.542   1.7246 -6.038029 3.381747 
1 1 1   20    4  -43 o   6.0596   2.6598  -1.7852   8.3212  -8.7895   12.036   4.6282   11.517   6.4581   2.9794   8.2652   3.3443 -1.807074 4.478913 
1 1 1   20    4  -42 o   28.957   1.4654  113.753   11.360  118.475   18.376  110.832   14.452   29.325   2.3528   28.484   1.9000 0.8409309 3.024163 
1 1 1   20    4  -41 o   49.464   1.2314  330.254   16.360  343.955   20.476  306.073   27.203   50.415   1.5122   47.378   2.1377 3.037182 2.618474 
1 1 1   20    4  -40 o   24.128   1.7007   79.258   10.950   78.747   14.127   80.028   17.332   23.935   2.2230   23.990   2.7389 -0.5525398E-01 3.527513 
1 1 1   20    4  -39 o   36.991   1.2105  184.532   12.027  187.901   16.306  180.512   17.810   37.265   1.6292   36.491   1.8171 0.7734299 2.440513 
1 1 1   20    4  -38 o   28.128   1.2853  106.713   9.7102   96.837   13.525  117.219   13.949   26.660   1.9012   29.369   1.7767 -2.709097 2.602200 
1 1 1   20    4  -37 o   34.473   1.1595  160.126   10.736  150.986   14.952  169.854   15.425   33.416   1.6659   35.449   1.6200 -2.033012 2.323721 
1 1 1   20    4  -36 o   26.143   1.4130   92.475   9.8847   69.234   12.968  124.699   15.270   22.480   2.1749   30.289   1.8864 -7.809071 2.879019 
1 1 1   20    4  -35 o   35.219   1.2985  167.197   12.283  164.266   14.945  173.298   21.562   34.875   1.5954   35.651   2.2635 -0.7752953 2.769287 
1 1 1   20    4  -34 f   30.283   1.4332  123.690   11.657  107.279   20.288  131.778   14.243   27.915   2.7413   31.183   1.7070 -3.268473 3.229303 
1 1 1   20    4  -33 o   70.178   1.0269  662.784   19.356  683.492   27.531  642.545   27.218   71.194   1.4398   69.022   1.4682 2.171127 2.056311 
1 1 1   20    4  -32 o   8.6137   2.8019   9.7793   7.4289   12.179   10.257   7.1314   10.775   9.7498   3.2959   8.6616   3.3151 1.088195 4.674701 
1 1 1   20    4  -31 o   20.709   1.7507   58.303   9.6470   39.356   16.903   67.456   11.748   16.589   3.8652   22.251   1.9867 -5.661819 4.345923 
1 1 1   20    4  -30 o   80.247   1.2088  866.751   26.054  858.464   31.895  883.372   45.171   79.816   1.4878   80.834   2.0805 -1.018074 2.557737 
1 1 1   20    4  -29 o   65.921   0.9903  584.388   17.534  581.863   24.655  586.973   24.942   65.734   1.3964   66.021   1.4065 -0.2867126 1.982008 
1 1 1   20    4  -28 o   25.099   1.2733   84.993   8.5556   84.613   11.867   85.405   12.346   24.989   1.7797   25.097   1.8445 -0.1089115 2.563084 
1 1 1   20    4  -27 o   78.545   1.0363  829.539   21.863  816.688   30.574  842.987   31.276   77.887   1.4615   79.130   1.4715 -1.242775 2.073963 
1 1 1   20    4  -26 o   42.809   0.9778  246.354   11.242  243.932   15.665  248.927   16.144   42.577   1.3698   43.009   1.3975 -0.4320374 1.956885 
1 1 1   20    4  -25 o   78.634   1.0308  831.247   21.771  837.657   30.906  824.933   30.675   78.895   1.4585   78.294   1.4587 0.6015015 2.062736 
1 1 1   20    4  -24 o   70.057   0.9880  659.703   18.592  664.149   26.162  655.166   26.426   70.262   1.3863   69.783   1.4099 0.4788818 1.977259 
1 1 1   20    4  -23 o   73.425   0.9981  724.651   19.685  701.977   27.436  748.706   28.259   72.236   1.4141   74.602   1.4103 -2.365921 1.997133 
1 1 1   20    4  -22 o   20.086   1.4154   54.539   7.5872   50.770   10.562   58.556   10.906   19.300   2.0699   20.754   1.9804 -1.454290 2.864670 
1 1 1   20    4  -21 f   58.937   1.3476  467.152   21.333  456.392   29.874  478.347   30.472   58.213   1.9106   59.598   1.9036 -1.384373 2.697117 
1 1 1   20    4  -20 o   13.598   2.3143   25.618   8.1494   25.490   9.9852   25.873   14.103   13.486   2.8461   13.600   3.7429 -0.1147099 4.702066 
1 1 1   20    4  -19 o   42.097   0.9552  238.142   10.801  220.692   15.096  256.443   15.460   40.511   1.3874   43.672   1.3180 -3.161015 1.913599 
1 1 1   20    4  -18 o   97.265   1.1333  1271.55   29.607  1287.73   42.094  1255.72   41.652   97.841   1.6018   96.617   1.6051 1.224098 2.267594 
1 1 1   20    4  -17 o  149.605   1.5378  3010.09   61.791  3086.23   88.616  2938.03   86.206  151.376   2.1795  147.698   2.1731 3.678192 3.077744 
1 1 1   20    4  -16 o   65.561   0.9555  577.527   16.825  594.697   23.877  560.593   23.713   66.512   1.3366   64.575   1.3672 1.936790 1.911994 
1 1 1   20    4  -15 o   91.688   1.2578  1129.93   30.976  1121.43   37.906  1147.01   53.743   91.323   1.5454   92.303   2.1678 -0.9793396 2.662254 
1 1 1   20    4  -14 o  170.011   1.7105  3887.24   78.109  3909.86  110.754  3864.86  110.174  170.381   2.4202  169.398   2.4215 0.9835205 3.423564 
1 1 1   20    4  -13 o   21.167   0.9955   60.197   5.6597   63.004   6.6609   52.910   10.733   21.622   1.1511   19.723   2.0564 1.899265 2.356607 
1 1 1   20    4  -12 o   96.321   0.9762  1246.48   25.256  1213.22   39.165  1270.16   33.044   94.998   1.5349   97.218   1.2655 -2.219704 1.989346 
1 1 1   20    4  -11 o   29.726   0.7179  118.693   5.7319  116.741   8.1114  120.641   8.1007   29.477   1.0245   29.966   1.0065 -0.4885387 1.436187 
1 1 1   20    4  -10 o   61.286   0.7229  504.513   11.899  490.482   16.689  519.024   16.971   60.421   1.0283   62.155   1.0166 -1.733459 1.446026 
1 1 1   20    4   -9 o   58.648   0.7527  462.020   11.856  455.484   17.763  467.271   15.922   58.224   1.1358   58.976   1.0052 -0.7516251 1.516736 
1 1 1   20    4   -8 o   97.489   0.9463  1276.76   24.779  1299.02   33.778  1250.82   36.462   98.322   1.2791   96.475   1.4071 1.847038 1.901574 
1 1 1   20    4   -7 o   67.614   0.7858  614.075   14.270  618.083   19.399  609.349   21.065   67.828   1.0648   67.344   1.1646 0.4835281 1.578005 
1 1 1   20    4   -6 o   10.952   1.6711   16.493   4.7600   10.620   6.9714   21.622   6.5149   8.8654   2.6915   12.525   2.0042 -3.659268 3.355755 
1 1 1   20    4   -5 f  120.010   1.0907  1934.94   35.159  1949.62   52.384  1922.90   47.429  120.437   1.6194  119.618   1.4762 0.8193893 2.191249 
1 1 1   20    4   -4 o   59.233   0.7939  471.283   12.631  469.541   18.091  472.940   17.644   59.118   1.1393   59.332   1.1072 -0.2142677 1.588691 
1 1 1   20    4   -3 o   34.298   0.8109  158.012   7.4705  151.322   10.612  164.582   10.518   33.560   1.1773   35.001   1.1188 -1.440266 1.624145 
1 1 1   20    4   -2 o   69.038   0.8832  640.239   16.376  649.389   28.986  635.949   19.848   69.512   1.5525   68.802   1.0740 0.7097931 1.887816 
1 1 1   20    4   -1 o   94.107   0.9253  1189.65   23.387  1214.41   35.027  1169.73   31.415   95.066   1.3718   93.306   1.2535 1.760567 1.858267 
1 1 1   20    4    0 o  130.446   1.2223  2286.23   42.824  2313.71   68.244  2268.38   55.001  131.182   1.9369  129.916   1.5762 1.266281 2.497184 
1 1 1   20    4    1 o  265.646   2.2861  9492.12  163.114  9688.69  261.323  9366.66  208.779  268.058   3.6296  263.746   2.9472 4.312134 4.675458 
1 1 1   20    4    2 o  103.688   0.9863  1444.27   27.468  1466.39   41.107  1426.42   36.920  104.460   1.4651  103.033   1.3341 1.427681 1.981522 
1 1 1   20    4    3 o   30.037   0.8585  121.194   6.9262  137.572   10.472  108.458   9.2344   31.999   1.2184   28.412   1.2101 3.586849 1.717243 
1 1 1   20    4    4 o  145.921   1.2747  2861.01   49.961  2868.76   74.293  2854.62   67.504  146.073   1.8936  145.727   1.7247 0.3464355 2.561279 
1 1 1   20    4    5 f  190.030   1.6002  4853.63   81.677  4839.27  120.941  4865.67  110.748  189.655   2.3742  190.200   2.1679 -0.5452271 3.215036 
1 1 1   20    4    6 o   99.821   1.0130  1338.60   27.159  1310.19   38.029  1368.19   38.800   98.739   1.4339  100.901   1.4317 -2.162018 2.026308 
1 1 1   20    4    7 o  116.241   1.1213  1815.37   35.009  1819.48   49.502  1811.26   49.517  116.347   1.5841  116.084   1.5882 0.2632980 2.243112 
1 1 1   20    4    8 o  108.300   1.1261  1575.84   32.756  1578.45   44.036  1572.61   49.012  108.370   1.5129  108.158   1.6871 0.2113647 2.266102 
1 1 1   20    4    9 o   75.480   0.8289  765.301   16.805  750.370   24.666  778.236   22.958   74.728   1.2289   76.107   1.1231 -1.378448 1.664834 
1 1 1   20    4   10 o   25.905   0.9029   90.149   6.2822   92.698   8.7215   87.399   9.0568   26.265   1.2363   25.467   1.3286 0.7975082 1.814857 
1 1 1   20    4   11 o  100.157   1.0096  1347.73   27.158  1373.11   38.782  1323.31   38.044  101.074   1.4286   99.224   1.4275 1.850044 2.019536 
1 1 1   20    4   12 o  161.111   1.3281  3488.57   57.473  3494.26   81.291  3482.89   81.267  161.181   1.8777  160.918   1.8803 0.2629395 2.657313 
1 1 1   20    4   13 o  167.911   1.3758  3789.68   62.048  3800.51   87.850  3778.89   87.647  168.077   1.9460  167.598   1.9470 0.4789581 2.752790 
1 1 1   20    4   14 o   59.197   0.9166  470.805   14.573  462.005   20.335  480.097   20.896   58.629   1.2914   59.766   1.3017 -1.136570 1.833588 
1 1 1   20    4   15 o  103.603   0.9495  1442.16   26.421  1425.61   37.072  1459.25   37.666  102.982   1.3403  104.190   1.3460 -1.207535 1.899453 
1 1 1   20    4   16 o  114.810   1.0202  1771.24   31.460  1786.63   44.654  1756.07   44.330  115.274   1.4423  114.283   1.4442 0.9904327 2.041027 
1 1 1   20    4   17 o   86.745   0.8551  1010.98   19.922  1009.74   28.086  1012.23   28.262   86.673   1.2065   86.779   1.2126 -0.1065140 1.710523 
1 1 1   20    4   18 o   83.236   0.8398  930.868   18.775  929.277   26.494  932.473   26.612   83.146   1.1863   83.289   1.1896 -0.1426468 1.680022 
1 1 1   20    4   19 o   44.176   0.7445  262.181   8.8336  259.176   12.376  265.303   12.613   43.914   1.0493   44.430   1.0569 -0.5158653 1.489310 
1 1 1   20    4   20 o   68.074   0.8533  622.672   15.602  617.888   21.898  627.605   22.233   67.794   1.2026   68.325   1.2115 -0.5304947 1.707067 
1 1 1   20    4   21 f  108.969   0.9861  1595.86   28.861  1583.97   40.592  1608.01   41.044  108.521   1.3926  109.341   1.3976 -0.8198929 1.972972 
1 1 1   20    4   22 o   49.277   0.7462  326.250   9.8760  330.648   13.969  321.854   13.965   49.597   1.0486   48.933   1.0626 0.6645851 1.492838 
1 1 1   20    4   23 o  132.769   1.1420  2369.98   40.724  2390.08   57.804  2350.16   57.384  133.256   1.6150  132.138   1.6169 1.118011 2.285287 
1 1 1   20    4   24 o   68.247   0.8919  625.953   16.349  628.120   24.519  624.219   21.938   68.334   1.3359   68.132   1.1988 0.2017059 1.794927 
1 1 1   20    4   25 o   82.444   0.9925  913.683   21.979  898.005   38.409  921.316   26.800   81.650   1.7514   82.768   1.2055 -1.118217 2.126199 
1 1 1   20    4   26 o   21.865   1.3069   64.550   7.6401   77.556   11.991   55.662   9.9127   23.913   1.8821   20.240   1.8437 3.673765 2.634688 
1 1 1   20    4   27 o   56.810   0.8606  433.789   13.132  442.664   19.850  426.881   17.511   57.358   1.2885   56.336   1.1573 1.021492 1.731884 
1 1 1   20    4   28 o   89.020   0.9224  1065.36   22.055  1090.17   32.795  1044.87   29.800   89.994   1.3567   88.119   1.2591 1.875496 1.850959 
1 1 1   20    4   29 o   7.6270   2.4473   7.6805   5.6809  -6.9921   8.4194   19.943   7.6971   5.3582   2.4789   11.917   2.4852 -6.559002 3.510141 
1 1 1   20    4   30 o   37.510   0.8468  189.163   8.5316  198.025   12.722  181.920   11.501   38.355   1.2349   36.767   1.1646 1.587948 1.697494 
1 1 1   20    4   31 o   18.565   1.3223   46.656   6.5503   45.090   10.125   47.783   8.5900   18.134   2.1187   18.737   1.7263 -0.6029663 2.732965 
1 1 1   20    4   32 o   24.824   0.9879   82.909   6.5869   79.107   9.0070   87.279   9.6577   24.187   1.3923   25.406   1.4210 -1.219072 1.989385 
1 1 1   20    4   33 o   5.9853   2.3731   2.6144   5.6791   5.3397   7.2614  -1.6783   9.1134   7.2724   2.7359   6.4235   2.8024 0.8489017 3.916471 
1 1 1   20    4   34 f   42.010   0.8465  237.373   9.5518  241.466   12.573  231.786   14.689   42.348   1.1054   41.468   1.3188 0.8801346 1.720805 
1 1 1   20    4   35 o   55.528   0.9917  414.992   14.791  403.326   19.783  429.779   22.273   54.692   1.3467   56.436   1.4694 -1.743462 1.993145 
1 1 1   20    4   36 o   74.216   0.9359  741.206   18.656  738.202   23.609  746.199   30.442   74.019   1.1875   74.340   1.5246 -0.3209305 1.932543 
1 1 1   20    4   37 o   32.398   0.8998  141.240   7.8298  142.106   10.767  140.267   11.407   32.468   1.2347   32.249   1.3169 0.2191811 1.805155 
1 1 1   20    4   38 o   21.508   1.1555   62.521   6.6505   60.992   9.0798   64.292   9.7685   21.179   1.6082   21.734   1.6866 -0.5555058 2.330390 
1 1 1   20    4   39 o   51.979   0.8182  363.536   11.423  356.575   15.855  371.050   16.471   51.432   1.1477   52.462   1.1690 -1.029873 1.638203 
1 1 1   20    4   40 o   22.522   1.1508   68.574   6.9382   70.016   9.5567   66.968   10.089   22.692   1.5778   22.167   1.7077 0.5254402 2.324990 
1 1 1   20    4   41 o   45.146   0.9421  274.529   11.424  284.371   15.683  263.401   16.675   45.892   1.2723   44.141   1.4065 1.751041 1.896578 
1 1 1   20    4   42 o   20.395   1.3675   56.480   7.4478   63.913   9.5195   44.750   11.958   21.649   1.6495   17.877   2.5639 3.772255 3.048648 
1 1 1   20    4   43 o   30.508   1.0158  125.470   8.3238  130.248   11.274  119.745   12.341   31.037   1.3524   29.688   1.5531 1.349094 2.059400 
1 1 1   20    4   44 o   7.1080   2.7119   4.9732   7.1964  -4.0712   10.445   13.147   9.9292   6.4943   2.9077   9.8597   3.2408 -3.365351 4.354023 
1 1 1   20    4   45 o   23.606   1.2312   75.476   7.7794   71.803   10.761   79.497   11.260   22.921   1.7614   24.127   1.7494 -1.206274 2.482504 
1 1 1   20    4   46 o   12.038   2.2068   20.425   6.8720   16.418   9.3703   25.088   10.109   10.723   3.0866   13.203   2.9274 -2.479109 4.254075 
1 1 1   20    4   47 o   14.896   2.1078   30.921   8.1981   27.924   11.362   34.175   11.840   13.882   3.1230   15.434   2.9638 -1.552742 4.305539 
1 1 1   20    4   48 o   45.082   1.0055  274.217   12.175  290.416   17.136  257.703   17.302   46.300   1.3780   43.586   1.4779 2.714054 2.020665 
1 1 1   20    4   49 f   17.266   1.7909   41.120   8.1844   46.128   10.214   32.136   13.680   18.204   2.1293   14.729   3.5080 3.474781 4.103680 
1 1 1   20    4   50 o   26.815   1.3879   97.952   9.9621   93.719   13.022  103.926   15.470   26.077   1.8716   27.370   2.1209 -1.293060 2.828589 
1 1 1   20    4   51 o   13.189   2.3836   24.958   8.1332   24.903   10.578   25.036   12.719   12.949   3.0855   12.869   3.5598 0.7953739E-01 4.710907 
1 1 1   20    4   52 o   12.914   2.6653   24.445   8.9381   29.881   12.607   18.950   12.674   14.020   3.3860   11.285   3.6591 2.734834 4.985353 
1 1 1   20    4   53 o   22.641   1.5816   70.780   9.5576   84.026   13.744   58.376   13.300   24.425   2.1160   20.132   2.5145 4.292734 3.286308 
1 1 1   20    4   54 o   8.9862   3.4287   10.013   11.503  -0.2261   28.439   12.016   12.578   10.445   4.7265   9.5575   3.5998 0.8873234 5.941232 
1 1 1   20    5  -51 o   12.048   4.2431   21.308   17.060   0.0000   0.0000   21.308   17.060  ?   ?    12.048   4.2431 0.000000 4.243146 
1 1 1   20    5  -50 o   17.160   4.0534   45.506   18.385   0.0000   0.0000   45.506   18.385  ?   ?    17.160   4.0534 0.000000 4.053418 
1 1 1   20    5  -49 o   28.559   1.7416  111.902   13.295  110.631   19.309  113.048   18.334   28.040   2.5932   28.427   2.4243 -0.3873692 3.549951 
1 1 1   20    5  -48 f   14.987   2.7474   32.212   10.652   28.317   13.261   39.293   17.883   13.821   3.5528   16.116   4.1165 -2.295472 5.437678 
1 1 1   20    5  -47 o   15.771   2.3375   34.922   9.6019   27.006   13.603   42.783   13.556   13.535   3.6557   17.263   3.0342 -3.728449 4.750874 
1 1 1   20    5  -46 o   45.205   1.1195  275.888   13.592  268.885   19.079  283.105   19.369   44.507   1.5960   45.674   1.5789 -1.166924 2.245044 
1 1 1   20    5  -45 o   17.327   2.1447   41.651   9.7680   27.483   12.899   60.696   14.956   13.716   3.4923   20.783   2.7464 -7.067838 4.442860 
1 1 1   20    5  -44 o   36.330   1.3359  178.500   13.036  171.194   16.741  189.750   20.775   35.489   1.7564   37.215   2.0869 -1.726681 2.727589 
1 1 1   20    5  -43 o   17.135   2.4432   41.093   10.926   49.215   18.682   36.870   13.470   18.296   3.9196   15.982   3.2486 2.314013 5.090847 
1 1 1   20    5  -42 o   22.292   1.6425   67.771   9.7651   71.819   14.352   64.283   13.325   22.766   2.3825   21.537   2.3412 1.228758 3.340245 
1 1 1   20    5  -41 o   58.944   1.0698  468.536   16.937  453.695   24.016  483.221   23.889   57.873   1.5450   59.745   1.4887 -1.871868 2.145496 
1 1 1   20    5  -40 o   18.939   2.0637   49.417   10.328   43.128   12.914   60.576   17.202   17.473   2.8499   20.663   3.2031 -3.189999 4.287413 
1 1 1   20    5  -39 o   27.076   1.6605   99.672   12.018  102.652   17.211   96.836   16.788   27.310   2.3697   26.516   2.3826 0.7941837 3.360436 
1 1 1   20    5  -38 o   10.185   2.9955   14.554   8.7407   14.019   11.466   15.297   13.504   10.333   3.4849   10.911   3.7793 -0.5781670 5.140732 
1 1 1   20    5  -37 o   29.204   1.2815  115.047   10.052  110.900   13.911  119.579   14.542   28.553   1.8234   29.650   1.8351 -1.097950 2.586962 
1 1 1   20    5  -36 f   35.315   1.1315  168.025   10.733  167.420   15.085  168.645   15.274   35.195   1.5958   35.321   1.6100 -0.1265450 2.266838 
1 1 1   20    5  -35 o   58.031   1.0815  453.512   16.857  461.361   22.467  443.403   25.498   58.470   1.4306   57.273   1.6575 1.196873 2.189529 
1 1 1   20    5  -34 o   37.872   1.1818  193.228   12.022  182.056   15.564  209.751   18.928   36.715   1.5783   39.377   1.7896 -2.662090 2.386160 
1 1 1   20    5  -33 o   30.205   1.3832  123.033   11.222  137.707   19.608  115.886   13.685   31.756   2.3148   29.227   1.7514 2.529358 2.902698 
1 1 1   20    5  -32 o   56.238   0.9919  425.596   14.982  433.411   21.369  418.041   21.011   56.695   1.4033   55.680   1.4050 1.014648 1.985715 
1 1 1   20    5  -31 f   22.386   1.4201   67.831   8.4946   59.328   11.958   76.491   12.069   20.815   2.1709   23.708   1.9116 -2.892731 2.892548 
1 1 1   20    5  -30 o   6.3454   2.7173  -0.3130   8.2580   12.845   13.538  -8.1102   10.421   10.472   3.7700   6.0109   2.7728 4.460789 4.679885 
1 1 1   20    5  -29 o   72.970   1.1746  716.667   23.020  721.094   28.463  708.295   39.143   73.153   1.4486   72.387   2.0132 0.7655563 2.480259 
1 1 1   20    5  -28 f   41.297   1.0111  229.373   11.215  245.878   16.012  213.481   15.712   42.728   1.3952   39.808   1.4696 2.920483 2.026384 
1 1 1   20    5  -27 o   51.010   0.9653  349.870   13.225  352.430   18.803  347.364   18.605   51.165   1.3682   50.796   1.3637 0.3685837 1.931733 
1 1 1   20    5  -26 o   46.281   0.9608  287.976   11.943  291.591   16.923  284.390   16.857   46.545   1.3537   45.966   1.3654 0.5792084 1.922682 
1 1 1   20    5  -25 o   37.314   1.0143  187.194   10.166  179.677   14.130  195.260   14.637   36.536   1.4399   38.087   1.4308 -1.551891 2.029894 
1 1 1   20    5  -24 o   23.316   1.2814   73.352   7.9941   61.132   10.994   87.059   11.644   21.205   1.9523   25.365   1.7193 -4.159416 2.601449 
1 1 1   20    5  -23 o   73.212   1.0035  720.517   19.732  714.766   27.684  726.456   28.133   72.884   1.4142   73.476   1.4255 -0.5924759 2.007978 
1 1 1   20    5  -22 o   41.351   0.9665  229.825   10.734  223.238   15.023  236.696   15.343   40.736   1.3730   41.947   1.3618 -1.210518 1.933810 
1 1 1   20    5  -21 o   47.067   0.9479  297.738   11.983  293.868   16.881  301.669   17.013   46.742   1.3446   47.359   1.3375 -0.6167412 1.896551 
1 1 1   20    5  -20 o   26.583   1.3402   95.283   9.5386  100.754   16.035   92.287   11.866   27.247   2.2102   26.128   1.7001 1.118727 2.788437 
1 1 1   20    5  -19 o   5.7256   2.5280  -2.3979   7.6189  -4.4528   9.3615   1.6332   13.112   6.1126   2.7437   8.3413   3.4907 -2.228747 4.439893 
1 1 1   20    5  -18 o   12.960   2.3631   23.351   7.9224   21.530   9.5598   27.343   14.156   12.376   2.9226   13.954   3.7122 -1.577245 4.724568 
1 1 1   20    5  -17 o   93.197   1.1019  1167.45   27.583  1183.62   39.194  1151.59   38.826   93.800   1.5557   92.522   1.5624 1.278313 2.204806 
1 1 1   20    5  -16 o   96.578   1.1222  1253.67   29.110  1267.16   41.371  1240.43   40.968   97.056   1.5870   96.026   1.5884 1.029358 2.245386 
1 1 1   20    5  -15 o   46.508   0.9294  290.636   11.609  290.460   16.507  290.809   16.330   46.481   1.3223   46.509   1.3072 -0.2854156E-01 1.859368 
1 1 1   20    5  -14 o   76.519   0.9716  786.759   19.969  789.913   22.868  776.631   40.976   76.666   1.1105   75.955   2.0085 0.7102127 2.295094 
1 1 1   20    5  -13 o   92.419   0.9040  1147.58   22.440  1150.65   30.506  1143.97   33.125   92.525   1.2276   92.249   1.3369 0.2759018 1.814996 
1 1 1   20    5  -12 o   78.854   0.8373  835.362   17.733  826.561   26.279  842.719   24.029   78.420   1.2477   79.189   1.1297 -0.7686386 1.683131 
1 1 1   20    5  -11 o   54.587   0.8056  400.295   11.811  392.304   20.176  404.462   14.569   54.022   1.3905   54.866   0.9886 -0.8437920 1.706107 
1 1 1   20    5  -10 o  120.325   1.2086  1945.69   39.059  1963.13   67.914  1937.07   47.746  120.779   2.0935  120.037   1.4809 0.7420807 2.564334 
1 1 1   20    5   -9 o   57.021   0.9317  436.827   14.269  419.421   20.684  452.636   19.711   55.861   1.3786   58.035   1.2646 -2.173710 1.870700 
1 1 1   20    5   -8 o  178.242   1.5104  4270.83   72.310  4359.66  108.657  4200.22   96.877  179.979   2.2477  176.691   2.0413 3.287827 3.036334 
1 1 1   20    5   -7 o   11.912   1.4857   19.371   4.6503   23.993   6.5712   14.734   6.5818   13.221   1.9055   10.257   2.4270 2.964120 3.085640 
1 1 1   20    5   -6 o   61.359   0.7323  505.730   12.069  515.607   17.206  496.160   16.935   61.949   1.0341   60.770   1.0376 1.179569 1.464855 
1 1 1   20    5   -5 o   56.398   0.7513  427.258   11.380  417.494   16.938  435.294   15.366   55.742   1.1313   56.921   1.0051 -1.178921 1.513258 
1 1 1   20    5   -4 o   82.147   0.9488  906.568   20.934  935.369   32.229  885.548   27.532   83.423   1.4383   81.179   1.2627 2.244728 1.913970 
1 1 1   20    5   -3 o   48.555   0.7454  316.683   9.7214  310.164   13.182  324.454   14.393   48.048   1.0215   49.141   1.0905 -1.093056 1.494181 
1 1 1   20    5   -2 o   55.010   0.7177  406.468   10.604  384.525   14.788  429.692   15.214   53.499   1.0291   56.554   1.0016 -3.055443 1.436046 
1 1 1   20    5   -1 o   59.961   0.7662  482.935   12.339  473.973   18.446  490.195   16.601   59.393   1.1563   60.404   1.0232 -1.011063 1.544012 
1 1 1   20    5    0 o   52.302   0.7190  367.441   10.101  360.235   14.331  374.554   14.239   51.782   1.0304   52.801   1.0040 -1.019650 1.438665 
1 1 1   20    5    1 o   70.120   0.8037  660.459   15.137  669.074   22.709  653.572   20.305   70.565   1.1982   69.746   1.0839 0.8189316 1.615703 
1 1 1   20    5    2 o  121.779   1.1594  1992.61   37.922  2024.93   60.522  1971.72   48.658  122.716   1.8362  121.119   1.4957 1.597351 2.368296 
1 1 1   20    5    3 o  127.539   1.2027  2185.67   41.201  2187.66   65.238  2184.36   53.139  127.545   1.9044  127.478   1.5520 0.6693268E-01 2.456667 
1 1 1   20    5    4 o  144.841   1.3306  2819.30   51.766  2869.43   82.783  2787.11   66.335  146.048   2.1103  143.980   1.7153 2.068588 2.719551 
1 1 1   20    5    5 o  154.884   1.4836  3224.42   61.720  3240.05   92.945  3212.10   82.548  155.175   2.2300  154.535   1.9888 0.6399384 2.988041 
1 1 1   20    5    6 o  118.398   1.0389  1883.38   33.038  1916.47   47.205  1851.61   46.255  119.407   1.4719  117.369   1.4673 2.037643 2.078283 
1 1 1   20    5    7 o   76.780   0.8016  791.902   16.530  789.536   23.435  794.245   23.320   76.655   1.1382   76.883   1.1293 -0.2285919 1.603384 
1 1 1   20    5    8 o   27.343   0.9031  100.441   6.6326  102.579   9.0606   97.973   9.7355   27.629   1.2210   26.999   1.3425 0.6291580 1.814690 
1 1 1   20    5    9 o  133.669   1.1405  2400.91   40.946  2385.76   57.662  2416.32   58.155  133.207   1.6116  134.057   1.6151 -0.8500519 2.281676 
1 1 1   20    5   10 o   92.899   1.0143  1159.56   25.308  1173.91   38.151  1148.29   33.822   93.443   1.5201   92.428   1.3624 1.015358 2.041258 
1 1 1   20    5   11 o   26.047   0.8865   91.151   6.2022   89.433   8.5272   93.081   9.0375   25.796   1.2307   26.316   1.2786 -0.5201015 1.774682 
1 1 1   20    5   12 o  122.581   1.0661  2019.17   35.101  2037.81   49.850  2000.83   49.434  123.109   1.5076  121.987   1.5088 1.122047 2.132887 
1 1 1   20    5   13 o   43.628   0.7332  255.692   8.5918  259.576   12.138  251.792   12.163   43.951   1.0282   43.287   1.0462 0.6644211 1.466862 
1 1 1   20    5   14 o   89.535   0.8692  1077.07   20.902  1079.70   29.515  1074.43   29.604   89.625   1.2261   89.405   1.2328 0.2192459 1.738729 
1 1 1   20    5   15 o  103.694   0.9504  1444.83   26.469  1433.21   37.228  1456.72   37.640  103.247   1.3424  104.090   1.3463 -0.8430099 1.901259 
1 1 1   20    5   16 o   58.907   0.7451  466.176   11.788  487.386   16.831  445.757   16.515   60.221   1.0406   57.591   1.0676 2.630318 1.490874 
1 1 1   20    5   17 o   28.855   0.8421  111.869   6.5263  112.514   9.1152  111.192   9.3485   28.931   1.1730   28.760   1.2102 0.1713085 1.685430 
1 1 1   20    5   18 o   90.717   0.8799  1105.84   21.440  1118.10   30.384  1093.68   30.257   91.193   1.2405   90.191   1.2490 1.002083 1.760377 
1 1 1   20    5   19 o   97.101   1.0068  1267.23   26.257  1283.34   37.289  1251.39   36.978   97.678   1.4213   96.453   1.4274 1.224335 2.014340 
1 1 1   20    5   20 o   76.384   0.8503  784.028   17.446  768.624   25.500  797.581   23.919   75.604   1.2558   77.022   1.1562 -1.418602 1.706972 
1 1 1   20    5   21 o   95.823   0.9530  1234.08   24.528  1257.57   36.633  1214.99   33.022   96.686   1.4107   95.048   1.2935 1.637810 1.913924 
1 1 1   20    5   22 o  105.777   1.0152  1504.02   28.843  1480.06   42.387  1524.68   39.362  104.872   1.5048  106.459   1.3766 -1.586853 2.039474 
1 1 1   20    5   23 o   58.186   0.8671  455.001   13.552  428.875   21.929  471.143   17.237   56.454   1.4462   59.197   1.0841 -2.742710 1.807450 
1 1 1   20    5   24 o   22.056   1.0628   65.407   6.2961   60.367   8.5994   71.230   9.2434   21.122   1.5261   22.954   1.5076 -1.832752 2.145220 
1 1 1   20    5   25 o   60.526   0.8408  492.370   13.668  474.431   20.932  505.705   18.047   59.380   1.3124   61.324   1.0957 -1.943634 1.709688 
1 1 1   20    5   26 o   66.935   0.8276  602.187   14.879  575.050   21.658  626.441   20.475   65.377   1.2334   68.247   1.1170 -2.870003 1.664004 
1 1 1   20    5   27 o   30.801   1.0371  127.587   8.5796  135.732   12.555  120.452   11.751   31.746   1.4725   29.906   1.4630 1.839613 2.075666 
1 1 1   20    5   28 f   45.490   0.8609  278.209   10.519  290.477   15.694  268.201   14.174   46.454   1.2578   44.643   1.1821 1.810764 1.726087 
1 1 1   20    5   29 o   18.945   1.1762   48.492   5.9555   48.478   8.0558   48.508   8.8440   18.893   1.6026   18.877   1.7648 0.1651955E-01 2.383859 
1 1 1   20    5   30 o   21.640   1.1365   63.207   6.5825   56.861   8.4986   72.724   10.406   20.474   1.5571   23.152   1.6850 -2.677795 2.294308 
1 1 1   20    5   31 f   39.806   1.0262  213.217   10.971  218.709   15.293  207.395   15.748   40.279   1.4136   39.214   1.4952 1.064533 2.057665 
1 1 1   20    5   32 o   13.738   1.8655   25.985   6.7056   24.882   9.1785   27.246   9.8203   13.287   2.6646   13.906   2.7266 -0.6194725 3.812459 
1 1 1   20    5   33 o   64.670   0.9253  562.695   16.072  566.626   21.657  557.874   23.980   64.847   1.2434   64.318   1.3881 0.5292816 1.863592 
1 1 1   20    5   34 o   3.9460   1.9046  -9.5281   6.0697  -6.2595   8.5010 -12.9272   8.6691   5.4752   2.5179   4.7728   2.2966 0.7024755 3.407978 
1 1 1   20    5   35 o   52.725   0.8467  373.967   11.991  387.783   15.813  355.273   18.394   53.659   1.0972   51.325   1.3343 2.333645 1.727487 
1 1 1   20    5   36 f   18.323   1.3011   45.507   6.3615   48.202   8.6631   42.354   9.3718   18.796   1.7356   17.555   2.0247 1.240210 2.666769 
1 1 1   20    5   37 o   26.385   1.0091   93.750   7.1511   95.933   9.7244   91.178   10.553   26.626   1.3643   25.932   1.5217 0.6943512 2.043804 
1 1 1   20    5   38 o   7.5979   2.4937   7.5878   5.8799   12.178   7.8271   1.6415   8.9084   9.3806   2.8528   6.9301   2.8867 2.450567 4.058505 
1 1 1   20    5   39 o   38.263   0.8671  197.082   8.9110  191.318   12.121  203.860   13.145   37.659   1.1984   38.865   1.2592 -1.205753 1.738312 
1 1 1   20    5   40 o   56.244   0.9168  426.047   13.849  420.709   19.172  431.873   20.027   55.815   1.2789   56.541   1.3188 -0.7258263 1.837026 
1 1 1   20    5   41 o   27.720   1.0374  103.595   7.7236  103.999   10.720  103.160   11.137   27.686   1.4466   27.562   1.5102 0.1247120 2.091295 
1 1 1   20    5   42 o   36.107   0.9856  175.724   9.5584  183.464   14.437  169.683   12.754   36.813   1.4601   35.425   1.3405 1.387249 1.982098 
1 1 1   20    5   43 o   25.694   1.3211   89.490   9.0861   82.904   11.088  102.956   15.855   24.655   1.6844   27.356   2.1758 -2.701054 2.751605 
1 1 1   20    5   44 o   8.7315   2.8341   10.296   7.6023   1.6338   10.059   21.835   11.610   7.2753   3.0518   12.280   3.4026 -5.004331 4.570653 
1 1 1   20    5   45 o   41.922   0.9689  236.911   10.909  230.553   13.852  247.296   17.702   41.305   1.2486   42.708   1.5432 -1.403355 1.985112 
1 1 1   20    5   46 o   34.519   0.9845  160.675   9.1280  160.512   12.229  160.881   13.716   34.445   1.3218   34.452   1.4823 -0.7003784E-02 1.986077 
1 1 1   20    5   47 o   33.738   1.1754  153.835   10.651  151.352   13.958  157.298   16.481   33.385   1.5566   33.921   1.8155 -0.5360222 2.391444 
1 1 1   20    5   48 f   45.336   1.0963  277.741   13.349  275.371   20.158  279.592   17.815   44.960   1.6693   45.379   1.4617 -0.4183273 2.218796 
1 1 1   20    5   49 o   24.748   1.3501   83.382   8.9404   93.076   11.154   65.964   14.952   26.081   1.6000   21.581   2.6341 4.499559 3.081980 
1 1 1   20    5   50 o   21.005   1.5610   60.564   8.7437   65.171   11.051   52.852   14.298   21.676   1.9179   19.124   2.8723 2.551950 3.453753 
1 1 1   20    5   51 o   20.210   1.7291   56.545   9.2958   38.147   12.685   77.882   13.661   16.049   3.0544   23.547   2.1850 -7.497795 3.755463 
1 1 1   20    5   52 o   25.009   1.7462   86.730   11.656   85.959   20.958   87.075   14.025   23.935   3.3521   24.876   2.1194 -0.9410324 3.965868 
1 1 1   20    5   53 o   8.7372   3.4119   8.6764   11.583 -25.2100   24.458   18.474   13.151   8.0418   3.8666   11.025   3.7320 -2.983213 5.373862 
1 1 1   20    6  -50 o   21.333   3.5322   68.365   19.530   0.0000   0.0000   68.365   19.530  ?   ?    21.333   3.5322 0.000000 3.532159 
1 1 1   20    6  -49 o   17.371   4.1952   46.937   19.353   0.0000   0.0000   46.937   19.353  ?   ?    17.371   4.1952 0.000000 4.195234 
1 1 1   20    6  -48 o   7.5119   3.0922   3.2747   10.054   0.5563   12.577   8.0879   16.736   7.7750   3.3421   9.9039   4.0229 -2.128932 5.230011 
1 1 1   20    6  -47 o   17.935   2.2955   45.026   10.804   37.959   13.554   57.342   17.893   16.129   3.2410   19.810   3.4903 -3.681005 4.763040 
1 1 1   20    6  -46 o   10.257   3.0447   14.998   8.9956   24.969   12.435   4.0517   13.029   13.042   3.4839   8.5142   3.5141 4.528217 4.948368 
1 1 1   20    6  -45 o   18.969   1.8479   49.473   9.2952   44.992   12.636   54.758   13.722   17.838   2.7237   19.736   2.6561 -1.897936 3.804434 
1 1 1   20    6  -44 o   19.866   1.9473   54.316   10.257   69.867   13.703   34.500   15.468   22.456   2.3046   15.297   3.7854 7.159058 4.431724 
1 1 1   20    6  -43 o   20.357   1.7937   56.793   9.7070   61.272   13.427   51.888   14.050   20.982   2.4273   19.169   2.8125 1.812811 3.715105 
1 1 1   20    6  -42 o   39.883   1.3464  215.163   14.423  207.612   25.127  218.874   17.613   38.797   2.4235   40.158   1.6329 -1.361156 2.922273 
1 1 1   20    6  -41 o   29.775   1.5154  120.423   12.079   96.450   20.868  132.503   14.813   26.184   3.0227   31.172   1.7766 -4.987642 3.506155 
1 1 1   20    6  -40 o   25.006   1.4849   84.949   9.9282   76.667   13.843   93.720   14.246   23.583   2.2114   26.139   2.0455 -2.556355 3.012358 
1 1 1   20    6  -39 o   23.402   1.7675   74.754   11.028   80.684   13.807   64.305   18.327   24.228   2.1439   21.255   3.3187 2.972750 3.950963 
1 1 1   20    6  -38 o   19.437   2.1875   52.135   11.222   44.921   15.317   60.494   16.487   17.711   3.3426   20.714   3.0551 -3.003820 4.528399 
1 1 1   20    6  -37 o   30.064   1.2450  121.942   10.053  119.655   14.094  124.310   14.343   29.659   1.7775   30.233   1.7741 -0.5740681 2.511365 
1 1 1   20    6  -36 o   18.282   1.7810   45.699   8.6344   41.477   11.683   50.780   12.817   17.231   2.6058   19.112   2.5613 -1.881353 3.653836 
1 1 1   20    6  -35 o   52.194   1.0153  366.827   14.233  360.038   19.931  373.892   20.333   51.639   1.4370   52.623   1.4386 -0.9838409 2.033336 
1 1 1   20    6  -34 o   6.7704   2.7536   2.5697   7.8536  -0.2743   10.244   6.6249   12.232   7.0521   3.0233   8.8919   3.4962 -1.839780 4.622135 
1 1 1   20    6  -33 o   76.609   1.2275  790.967   25.258  796.229   30.956  780.486   43.689   76.797   1.5007   75.826   2.1452 0.9708862 2.618028 
1 1 1   20    6  -32 o   38.939   1.2439  204.339   13.010  203.486   22.021  204.796   16.125   38.672   2.1282   38.947   1.5415 -0.2744904 2.627856 
1 1 1   20    6  -31 o   10.413   2.6849   15.337   7.5575   15.792   10.693   14.884   10.682   10.738   3.3467   10.497   3.3546 0.2407246 4.738550 
1 1 1   20    6  -30 o   37.264   1.0609  186.907   10.618  182.296   14.675  191.973   15.383   36.762   1.4862   37.722   1.5183 -0.9595528 2.124657 
1 1 1   20    6  -29 o   13.145   2.5345   24.252   8.6239   25.676   14.595   23.488   10.690   13.472   3.8444   12.858   3.1257 0.6137314 4.954711 
1 1 1   20    6  -28 o   6.8060   2.9066  -0.1347   9.4028 -22.1491   12.383   29.838   14.449   5.4177   2.6393   14.466   3.7031 -9.048277 4.547419 
1 1 1   20    6  -27 o   42.480   0.9926  242.714   11.325  235.012   15.740  250.984   16.309   41.769   1.4030   43.165   1.4067 -1.395657 1.986724 
1 1 1   20    6  -26 o   66.939   0.9947  602.598   17.884  580.384   24.839  626.512   25.771   65.648   1.4087   68.207   1.4067 -2.559181 1.990808 
1 1 1   20    6  -25 o   89.026   1.0939  1066.01   26.157  1031.66   36.392  1102.73   37.621   87.512   1.5483   90.477   1.5481 -2.964249 2.189477 
1 1 1   20    6  -24 o   59.542   0.9646  476.641   15.426  497.932   21.888  455.626   21.745   60.826   1.3397   58.180   1.3915 2.646202 1.931610 
1 1 1   20    6  -23 o   60.755   0.9629  496.215   15.713  488.541   22.018  504.180   22.432   60.253   1.3605   61.209   1.3644 -0.9563942 1.926839 
1 1 1   20    6  -22 o   39.650   0.9887  211.344   10.529  215.670   14.836  206.954   14.945   40.035   1.3797   39.215   1.4189 0.8195000 1.979101 
1 1 1   20    6  -21 o   77.206   1.0205  801.321   21.162  815.575   30.134  787.450   29.726   77.851   1.4411   76.496   1.4468 1.354736 2.042056 
1 1 1   20    6  -20 o   59.351   0.9502  473.455   15.147  460.388   21.288  486.854   21.557   58.501   1.3548   60.161   1.3341 -1.659542 1.901399 
1 1 1   20    6  -19 o   44.563   1.1038  266.983   13.212  278.420   23.097  261.420   16.107   45.461   1.8916   44.084   1.3603 1.376190 2.329895 
1 1 1   20    6  -18 o   46.721   1.0039  293.398   12.598  283.667   18.942  301.116   16.870   45.914   1.5360   47.317   1.3274 -1.403030 2.030110 
1 1 1   20    6  -17 o   45.636   1.1078  279.966   13.579  272.257   16.412  296.700   24.180   44.992   1.3581   46.933   1.9182 -1.941467 2.350261 
1 1 1   20    6  -16 o  109.174   1.4092  1603.12   41.323  1608.98   50.587  1591.37   71.641  109.332   1.7227  108.604   2.4560 0.7281265 2.999888 
1 1 1   20    6  -15 o  100.086   1.0145  1346.28   27.273  1361.44   35.050  1323.02   43.420  100.623   1.2969   99.158   1.6303 1.465599 2.083207 
1 1 1   20    6  -14 o   25.165   0.8023   85.084   5.4225   90.691   7.1055   77.264   8.3911   25.977   1.0184   23.936   1.3102 2.041451 1.659412 
1 1 1   20    6  -13 o   98.191   0.9891  1295.66   26.086  1290.74   33.768  1302.93   41.082   97.983   1.2831   98.419   1.5541 -0.4363708 2.015324 
1 1 1   20    6  -12 f   44.374   0.7557  264.536   9.0065  260.313   11.772  270.497   13.987   44.013   0.9958   44.861   1.1608 -0.8476067 1.529424 
1 1 1   20    6  -11 o   43.422   0.7737  253.301   9.0236  251.457   14.556  254.451   11.500   43.251   1.2530   43.515   0.9839 -0.2646255 1.593163 
1 1 1   20    6  -10 o   83.425   0.9066  935.104   20.315  906.368   28.077  966.675   29.429   82.114   1.2730   84.801   1.2921 -2.686638 1.813856 
1 1 1   20    6   -9 o   62.945   0.7984  532.270   13.498  530.627   17.552  534.648   21.115   62.840   1.0399   63.069   1.2465 -0.2294044 1.623310 
1 1 1   20    6   -8 o   12.308   1.3429   20.606   4.3675   9.9694   6.3939   29.909   5.9799   8.5657   2.5725   14.837   1.5222 -6.271114 2.989085 
1 1 1   20    6   -7 o  132.219   1.2322  2349.56   43.758  2392.99   69.770  2321.40   56.181  133.357   1.9479  131.390   1.5920 1.967361 2.515671 
1 1 1   20    6   -6 f   75.530   0.9078  766.446   18.417  804.736   32.347  748.080   22.403   77.363   1.5567   74.612   1.1179 2.751152 1.916523 
1 1 1   20    6   -5 o   93.176   1.0748  1166.57   26.898  1191.62   44.233  1151.87   33.883   94.127   1.7496   92.571   1.3627 1.556091 2.217703 
1 1 1   20    6   -4 o   64.043   0.7705  550.975   13.253  569.155   19.779  536.163   17.854   65.081   1.1315   63.169   1.0523 1.911804 1.545212 
1 1 1   20    6   -3 o   48.090   0.7137  310.658   9.2181  303.487   13.093  317.706   12.980   47.526   1.0257   48.627   0.9938 -1.101307 1.428192 
1 1 1   20    6   -2 o   50.225   0.7140  338.841   9.6319  349.417   13.803  328.802   13.447   50.996   1.0077   49.469   1.0121 1.527302 1.428203 
1 1 1   20    6   -1 o  119.650   1.0447  1923.54   33.573  1951.76   47.897  1896.29   47.073  120.494   1.4800  118.770   1.4756 1.724518 2.089915 
1 1 1   20    6    0 o  113.667   1.0065  1735.93   30.727  1760.26   43.755  1712.25   43.161  114.435   1.4236  112.863   1.4238 1.571487 2.013382 
1 1 1   20    6    1 o  142.072   1.1948  2712.46   45.594  2707.85   64.449  2717.09   64.509  141.905   1.6909  142.147   1.6896 -0.2420349 2.390419 
1 1 1   20    6    2 o   39.763   0.7664  212.396   8.1853  214.817   12.398  210.525   10.898   39.982   1.1545   39.584   1.0250 0.3988037 1.543884 
1 1 1   20    6    3 o   83.607   0.9127  939.112   20.496  967.084   33.136  921.777   26.085   84.818   1.4545   82.821   1.1726 1.996323 1.868342 
1 1 1   20    6    4 o   91.089   1.0762  1114.90   26.329  1144.79   43.955  1098.18   32.881   92.259   1.7738   90.389   1.3544 1.869652 2.231773 
1 1 1   20    6    5 o   18.776   1.1451   47.549   5.7472   51.657   8.7976   44.490   7.5909   19.526   1.6943   18.122   1.5752 1.403650 2.313420 
1 1 1   20    6    6 f   95.615   0.9418  1228.31   24.186  1238.23   36.057  1220.20   32.611   95.975   1.3987   95.282   1.2743 0.6931763 1.892148 
1 1 1   20    6    7 o   62.204   0.7837  519.800   13.094  521.407   19.626  518.512   17.577   62.288   1.1731   62.119   1.0535 0.1689072 1.576738 
1 1 1   20    6    8 o   93.802   0.9280  1182.19   23.380  1175.49   34.494  1187.88   31.799   93.511   1.3734   94.010   1.2594 -0.4990005 1.863376 
1 1 1   20    6    9 o   47.191   0.9365  299.226   11.870  276.824   17.700  317.535   16.001   45.375   1.4523   48.605   1.2257 -3.230282 1.900379 
1 1 1   20    6   10 o   77.451   0.8812  805.965   18.331  791.165   23.593  828.508   29.118   76.725   1.1448   78.502   1.3810 -1.776299 1.793823 
1 1 1   20    6   11 o  144.595   1.2691  2810.55   49.286  2787.81   72.710  2829.88   67.038  143.925   1.8809  145.032   1.7209 -1.106964 2.549401 
1 1 1   20    6   12 f   81.127   0.8262  884.258   18.002  900.956   25.613  867.956   25.307   81.872   1.1647   80.358   1.1725 1.513817 1.652698 
1 1 1   20    6   13 o   59.095   0.7462  469.167   11.844  467.317   16.626  471.072   16.875   58.968   1.0498   59.204   1.0612 -0.2359505 1.492712 
1 1 1   20    6   14 o   51.824   0.7328  360.824   10.200  348.073   14.148  374.625   14.720   50.891   1.0351   52.796   1.0380 -1.905258 1.465876 
1 1 1   20    6   15 o   34.272   0.7908  157.814   7.2799  163.297   10.243  152.216   10.349   34.855   1.0941   33.650   1.1450 1.204784 1.583697 
1 1 1   20    6   16 o   78.098   0.8525  819.562   17.883  817.750   26.425  821.092   24.289   77.985   1.2616   78.152   1.1571 -0.1668243 1.711868 
1 1 1   20    6   17 o   21.918   1.0471   64.571   6.1645   55.465   8.9987   72.624   8.4618   20.231   1.6710   23.197   1.3641 -2.965963 2.157085 
1 1 1   20    6   18 o   39.991   0.9254  214.930   9.9398  222.945   15.656  209.517   12.865   40.709   1.4318   39.474   1.2135 1.235367 1.876863 
1 1 1   20    6   19 o   26.444   0.9678   93.987   6.8740   93.439   10.252   94.433   9.2653   26.313   1.4563   26.498   1.3018 -0.1848164 1.953356 
1 1 1   20    6   20 o   24.151   0.9753   78.398   6.3262   81.075   8.7589   75.479   9.1468   24.514   1.3353   23.640   1.4475 0.8735275 1.969353 
1 1 1   20    6   21 o   53.889   0.7763  390.220   11.237  392.852   16.294  387.833   15.516   54.053   1.1224   53.709   1.0756 0.3437157 1.554533 
1 1 1   20    6   22 o   66.510   0.8125  594.477   14.514  590.025   21.034  598.523   20.054   66.236   1.1823   66.716   1.1191 -0.4803085 1.628001 
1 1 1   20    6   23 o   47.751   0.7989  306.427   10.246  309.987   14.306  302.678   14.682   48.012   1.1094   47.440   1.1522 0.5719032 1.599501 
1 1 1   20    6   24 o   47.410   0.7560  302.059   9.6267  298.239   13.318  306.239   13.932   47.094   1.0528   47.719   1.0870 -0.6253891 1.513262 
1 1 1   20    6   25 o   23.898   0.9914   76.794   6.3634   81.254   8.6019   71.402   9.4573   24.536   1.3100   22.972   1.5417 1.563978 2.023127 
1 1 1   20    6   26 o   11.616   1.9572   18.712   5.8894   15.809   8.3932   21.527   8.2661   10.613   2.8737   12.379   2.5703 -1.765706 3.855462 
1 1 1   20    6   27 o   57.964   0.8672  451.737   13.500  456.625   18.925  446.671   19.264   58.245   1.2097   57.603   1.2451 0.6422348 1.736034 
1 1 1   20    6   28 o   15.822   1.6848   34.157   7.0496   40.925   10.218   28.010   9.7383   17.238   2.2615   14.133   2.6631 3.105692 3.493778 
1 1 1   20    6   29 o   46.403   0.9636  289.671   12.010  292.603   16.175  286.069   17.929   46.606   1.2921   46.064   1.4491 0.5415077 1.941533 
1 1 1   20    6   30 o   56.330   0.9622  426.914   14.559  437.360   18.444  409.649   23.713   56.985   1.2050   55.089   1.6026 1.895836 2.005092 
1 1 1   20    6   31 o   12.549   1.8266   21.737   5.9763   25.613   7.6262   15.568   9.6205   13.580   2.1635   10.581   3.1505 2.998154 3.821790 
1 1 1   20    6   32 o   52.285   0.8882  367.783   12.473  348.750   19.224  381.620   16.392   50.847   1.4077   53.229   1.1466 -2.381981 1.815509 
1 1 1   20    6   33 o   65.132   0.8839  570.758   15.464  546.891   23.476  589.050   20.552   63.674   1.3727   66.125   1.1572 -2.450882 1.795372 
1 1 1   20    6   34 o   19.537   1.3135   51.708   6.8527   40.715   9.5967   63.145   9.7884   17.191   2.1236   21.541   1.7058 -4.350121 2.723813 
1 1 1   20    6   35 o   63.245   0.8627  538.208   14.655  524.704   21.481  549.964   20.043   62.374   1.2822   63.880   1.1682 -1.506828 1.734577 
1 1 1   20    6   36 o   10.433   2.1741   15.346   5.8948   5.3700   7.7571   28.980   9.0686   7.4042   2.8178   14.384   2.4342 -6.979529 3.723641 
1 1 1   20    6   37 o   35.355   0.8884  168.259   8.4367  172.517   11.527  163.346   12.382   35.765   1.1999   34.785   1.3252 0.9799652 1.787756 
1 1 1   20    6   38 o   51.440   0.8186  356.116   11.310  362.337   15.763  349.516   16.236   51.836   1.1321   50.900   1.1876 0.9357605 1.640773 
1 1 1   20    6   39 o   32.783   1.1044  144.947   9.7244  144.991   14.566  144.911   13.061   32.659   1.6661   32.723   1.4861 -0.6406021E-01 2.232538 
1 1 1   20    6   40 o   9.6951   2.5372   13.394   6.6835   12.054   9.4801   14.718   9.4240   9.5109   3.1686   10.247   3.1333 -0.7362328 4.456154 
1 1 1   20    6   41 o   8.7391   2.5834   10.699   6.4865   10.947   8.8295   10.407   9.5608   9.1050   3.0581   9.0802   3.1779 0.2477932E-01 4.410345 
1 1 1   20    6   42 o   19.934   1.4686   54.106   7.8077   63.507   11.288   45.481   10.811   21.493   1.9775   18.084   2.2763 3.408836 3.015303 
1 1 1   20    6   43 o   56.201   0.9673  425.789   14.602  428.178   18.578  421.927   23.618   56.294   1.2287   55.772   1.5767 0.5217438 1.998902 
1 1 1   20    6   44 o   20.156   1.4633   55.319   7.8678   64.274   9.9172   40.112   12.924   21.681   1.7171   16.755   2.9812 4.926090 3.440325 
1 1 1   20    6   45 o   44.864   0.9801  271.426   11.810  273.091   14.698  268.392   19.839   44.952   1.2174   44.442   1.6620 0.5096016 2.060171 
1 1 1   20    6   46 o   36.236   1.0197  177.183   9.9242  179.070   12.671  174.189   15.962   36.374   1.2969   35.787   1.6606 0.5875549 2.107079 
1 1 1   20    6   47 o   47.441   1.0216  303.871   13.018  298.676   17.255  310.736   19.833   46.934   1.3688   47.809   1.5445 -0.8757706 2.063750 
1 1 1   20    6   48 o   36.683   1.0480  181.882   10.325  187.602   12.984  172.042   17.030   37.191   1.2998   35.413   1.7963 1.777283 2.217235 
1 1 1   20    6   49 o   7.5685   2.9396   5.6440   8.5625   2.1001   11.151   10.736   13.366   7.5795   3.1980   9.6680   3.6942 -2.088550 4.886167 
1 1 1   20    6   50 o   13.350   2.8778   26.340   10.015   15.946   14.333   36.256   14.000   10.766   3.8788   15.459   3.4583 -4.692511 5.196568 
1 1 1   20    6   51 o   12.000   3.4399   22.070   11.660   4.5600   30.453   25.078   12.622   11.343   5.0288   12.733   3.5547 -1.389996 6.158287 
1 1 1   20    6   52 o   28.010   2.0136  110.291   15.048  112.006   21.778  108.724   20.817   27.509   2.9959   27.180   2.8961 0.3283672 4.166885 
1 1 1   20    6   53 o   27.708   2.7407  113.053   20.130  146.900   29.170   82.280   27.814   30.678   3.6092   21.608   4.9046 9.069391 6.089496 
1 1 1   20    7  -50 o   12.027   4.8246   18.370   23.746   0.0000   0.0000   18.370   23.746  ?   ?    12.027   4.8246 0.000000 4.824550 
1 1 1   20    7  -49 o   21.174   3.4306   66.981   18.843   0.0000   0.0000   66.981   18.843  ?   ?    21.174   3.4306 0.000000 3.430570 
1 1 1   20    7  -48 f   9.4385   3.9750   4.7856   17.176   0.0000   0.0000   4.7856   17.176  ?   ?    9.4385   3.9750 0.000000 3.975006 
1 1 1   20    7  -47 o   29.570   1.5495  119.400   12.264  112.454   15.078  132.979   21.080   28.545   1.9788   30.776   2.5738 -2.230751 3.246586 
1 1 1   20    7  -46 o   27.613   1.6217  104.142   11.975  108.811   14.810   95.326   20.351   28.116   1.9736   25.905   2.9791 2.211069 3.573541 
1 1 1   20    7  -45 o   42.489   1.1474  243.947   13.094  260.363   18.673  228.063   18.368   43.772   1.5882   40.941   1.6703 2.830467 2.304895 
1 1 1   20    7  -44 o   19.931   1.7626   54.480   9.3384   55.652   12.818   53.154   13.632   19.961   2.4417   19.425   2.6847 0.5364323 3.628981 
1 1 1   20    7  -43 o   10.208   3.3055   14.357   10.346   18.608   12.388   4.5557   18.810   11.468   3.6067   9.9642   4.1762 1.503444 5.518056 
1 1 1   20    7  -42 o   8.1778   2.9955   7.7043   8.5992   20.665   12.085  -5.5873   12.238   11.971   3.5227   6.8930   3.1116 5.078234 4.700152 
1 1 1   20    7  -41 o   10.499   3.2728   15.457   10.226   0.8046   18.431   21.974   12.291   9.4051   4.0443   12.316   3.5323 -2.910531 5.369713 
1 1 1   20    7  -40 o   15.120   2.6364   32.391   10.318   7.6957   17.325   45.962   12.844   10.120   4.0993   18.048   2.7352 -7.928018 4.928022 
1 1 1   20    7  -39 o   31.988   1.2540  138.241   10.774  136.942   15.317  139.513   15.158   31.686   1.8072   31.993   1.7709 -0.3068085 2.530249 
1 1 1   20    7  -38 o   16.278   2.3466   36.983   9.9634   39.773   12.409   31.921   16.716   16.751   2.8607   14.744   4.0819 2.007449 4.984498 
1 1 1   20    7  -37 o   22.871   1.8263   71.464   11.126   84.746   15.807   58.425   15.662   24.774   2.4059   20.375   2.9475 4.399460 3.804799 
1 1 1   20    7  -36 o   32.442   1.2204  141.992   10.634  150.797   14.859  132.747   15.226   33.369   1.6579   31.229   1.8232 2.139606 2.464231 
1 1 1   20    7  -35 o   31.494   1.2593  133.813   10.653  133.726   15.142  133.899   14.989   31.359   1.8054   31.383   1.7856 -0.2459335E-01 2.539301 
1 1 1   20    7  -34 o   7.4068   2.8317   5.2602   7.8557   6.3506   10.855   4.0611   11.383   8.4777   3.3051   8.1683   3.3178 0.3093519 4.683112 
1 1 1   20    7  -33 f   31.823   1.1853  136.494   10.131  139.645   13.713  132.707   15.032   32.143   1.5884   31.256   1.7981 0.8871040 2.399248 
1 1 1   20    7  -32 o   32.507   1.3313  142.526   11.624  150.396   14.073  125.631   20.620   33.365   1.5704   30.241   2.5627 3.123281 3.005543 
1 1 1   20    7  -31 o   63.308   1.1655  539.948   19.819  565.654   34.694  527.497   24.146   64.599   1.9996   62.522   1.4379 2.076832 2.462891 
1 1 1   20    7  -30 o   63.227   1.0016  538.065   17.010  528.661   23.971  547.601   24.141   62.600   1.4257   63.715   1.4106 -1.114532 2.005588 
1 1 1   20    7  -29 o   89.704   1.1167  1083.47   26.905  1056.56   37.656  1111.54   38.455   88.466   1.5848   90.741   1.5778 -2.274963 2.236289 
1 1 1   20    7  -28 o   47.801   1.0496  307.519   13.475  340.849   20.336  281.426   17.993   50.268   1.5062   45.681   1.4664 4.586224 2.102145 
1 1 1   20    7  -27 o   21.112   2.0470   60.865   11.461   42.940   15.798   80.782   16.653   17.394   3.5028   24.245   2.5978 -6.851030 4.360952 
1 1 1   20    7  -26 o   47.003   0.9701  297.164   12.248  299.919   17.236  294.354   17.407   47.185   1.3600   46.742   1.3865 0.4426270 1.942167 
1 1 1   20    7  -25 o   51.758   0.9716  360.281   13.507  376.093   19.276  345.027   18.933   52.846   1.3580   50.612   1.3927 2.233246 1.945236 
1 1 1   20    7  -24 o   45.839   0.9700  282.559   11.942  290.305   16.843  274.726   16.936   46.435   1.3504   45.168   1.3960 1.267044 1.942291 
1 1 1   20    7  -23 o   7.0667   2.6683   4.8973   6.9211  -7.0132   9.6301   17.622   9.9538   5.8538   2.6875   11.232   3.1643 -5.377723 4.151551 
1 1 1   20    7  -22 o  123.920   1.3390  2066.69   44.567  2078.52   63.104  2054.91   62.952  124.143   1.8925  123.434   1.8988 0.7087784 2.680892 
1 1 1   20    7  -21 o  100.949   1.1675  1370.66   31.656  1379.97   44.949  1361.50   44.589  101.214   1.6534  100.535   1.6513 0.6789703 2.336776 
1 1 1   20    7  -20 o   60.850   0.9581  497.742   15.659  497.498   22.244  497.982   22.047   60.805   1.3620   60.836   1.3493 -0.3068542E-01 1.917189 
1 1 1   20    7  -19 o   56.922   0.9483  435.517   14.498  449.914   20.665  421.561   20.346   57.830   1.3305   55.976   1.3533 1.853527 1.897763 
1 1 1   20    7  -18 o   54.672   1.0855  401.870   15.941  406.597   27.800  399.554   19.457   54.931   1.8842   54.499   1.3292 0.4316750 2.305889 
1 1 1   20    7  -17 o   27.384   1.2050  100.836   8.8626   86.951   12.919  113.178   12.180   25.332   1.9130   28.955   1.5721 -3.623510 2.476048 
1 1 1   20    7  -16 o  123.934   1.1822  2065.28   39.352  2032.47   50.068  2118.29   63.649  122.897   1.5168  125.395   1.8898 -2.497818 2.423223 
1 1 1   20    7  -15 o  127.674   1.4426  2192.96   49.470  2184.60   53.092  2248.00  136.265  127.412   1.5514  128.533   3.9471 -1.120583 4.241043 
1 1 1   20    7  -14 o  165.708   1.5682  3695.07   69.795  3609.14   92.283  3809.94  106.688  163.640   2.0996  168.050   2.3637 -4.410034 3.161528 
1 1 1   20    7  -13 o   76.227   0.9714  780.920   19.889  796.015   28.430  766.451   27.834   76.932   1.3759   75.490   1.3727 1.441856 1.943582 
1 1 1   20    7  -12 o   48.702   0.8079  318.685   10.569  320.846   14.649  316.338   15.263   48.856   1.1163   48.509   1.1714 0.3467522 1.618166 
1 1 1   20    7  -11 o   77.193   0.9173  800.729   19.019  799.570   23.274  803.061   33.001   77.126   1.1235   77.258   1.5903 -0.1327438 1.947143 
1 1 1   20    7  -10 o   54.706   0.7112  402.054   10.450  425.004   15.011  380.477   14.556   56.236   0.9938   53.208   1.0185 3.028297 1.423033 
1 1 1   20    7   -9 o   46.813   0.7037  294.399   8.8477  315.871   12.770  274.575   12.270   48.482   0.9807   45.201   1.0107 3.281082 1.408233 
1 1 1   20    7   -8 f   83.056   0.8268  926.835   18.445  946.185   26.360  908.270   25.819   83.900   1.1697   82.202   1.1694 1.698189 1.654028 
1 1 1   20    7   -7 o   67.663   0.8379  615.107   15.228  629.386   24.667  606.315   19.357   68.420   1.3423   67.168   1.0730 1.251945 1.718431 
1 1 1   20    7   -6 o   46.836   0.7843  294.701   9.8658  298.260   14.314  291.481   13.616   47.108   1.1313   46.571   1.0886 0.5370560 1.569992 
1 1 1   20    7   -5 o  102.887   1.0302  1422.53   28.470  1419.83   40.319  1425.21   40.206  102.757   1.4609  102.952   1.4540 -0.1949387 2.061131 
1 1 1   20    7   -4 o   47.141   0.7505  298.546   9.5026  295.618   14.409  300.799   12.641   46.899   1.1439   47.313   0.9947 -0.4136467 1.515902 
1 1 1   20    7   -3 o  148.357   1.3578  2958.96   54.105  2955.18   85.614  2961.47   69.812  148.143   2.1517  148.367   1.7519 -0.2244110 2.774657 
1 1 1   20    7   -2 o  125.201   1.1877  2106.83   39.939  2110.51   63.400  2104.41   51.425  125.234   1.8848  125.096   1.5305 0.1379166 2.427998 
1 1 1   20    7   -1 o   24.611   1.0098   81.387   6.6748   66.053   11.683   88.819   8.1329   22.063   1.9929   25.707   1.1779 -3.643597 2.314997 
1 1 1   20    7    0 o  135.548   1.3281  2469.92   48.354  2493.88   84.104  2458.09   59.098  136.068   2.3013  135.189   1.6276 0.8790283 2.818653 
1 1 1   20    7    1 o  236.708   2.1658  7544.72  137.699  7649.58  240.419  7493.53  167.980  237.711   3.7655  235.747   2.6529 1.963104 4.606201 
1 1 1   20    7    2 o   94.942   1.1683  1211.48   29.793  1273.14   46.745  1169.29   38.664   97.277   1.7891   93.247   1.5437 4.029930 2.363060 
1 1 1   20    7    3 o   48.941   0.9441  321.827   12.410  325.675   23.229  320.290   14.680   49.201   1.7578   48.818   1.1196 0.3825722 2.084078 
1 1 1   20    7    4 o   95.869   1.1018  1235.17   28.372  1233.73   56.564  1235.65   32.796   95.711   2.2003   95.876   1.2736 -0.1649475 2.542322 
1 1 1   20    7    5 o   58.760   0.9664  463.939   15.253  461.600   41.460  464.306   16.403   58.506   2.6384   58.780   1.0390 -0.2744026 2.835564 
1 1 1   20    7    6 o   75.809   0.9781  772.258   19.916  745.267   39.410  781.515   23.081   74.406   1.9720   76.255   1.1269 -1.849129 2.271281 
1 1 1   20    7    7 o  102.913   1.0899  1423.40   30.127  1468.98   52.975  1401.61   36.626  104.469   1.8879  102.103   1.3356 2.366318 2.312583 
1 1 1   20    7    8 f   77.146   1.0384  799.820   21.516  750.201   38.961  821.595   25.809   74.649   1.9432   78.178   1.2291 -3.528847 2.299271 
1 1 1   20    7    9 o   43.236   0.8194  251.162   9.5150  261.031   14.286  243.293   12.756   44.066   1.2070   42.545   1.1163 1.520557 1.644083 
1 1 1   20    7   10 o  126.449   1.2626  2149.70   42.883  2139.22   63.877  2158.30   57.859  126.054   1.8867  126.645   1.7010 -0.5905075 2.540235 
1 1 1   20    7   11 o   82.068   0.9558  905.104   21.069  866.632   30.671  939.480   28.992   80.273   1.4226   83.589   1.2913 -3.316505 1.921262 
1 1 1   20    7   12 o   14.395   1.4756   28.164   5.6244   40.472   8.4242   18.265   7.5548   17.240   1.8481   11.413   2.5309 5.826941 3.133848 
1 1 1   20    7   13 o   44.486   0.7647  265.891   9.1364  261.390   13.265  269.953   12.602   44.096   1.1200   44.815   1.0470 -0.7192726 1.533130 
1 1 1   20    7   14 o   42.798   0.7713  246.100   8.8665  239.435   12.778  252.288   12.313   42.202   1.1273   43.323   1.0581 -1.120548 1.546130 
1 1 1   20    7   15 o  106.679   1.0128  1529.67   29.019  1536.83   42.912  1523.65   39.392  106.874   1.4949  106.429   1.3780 0.4442825 2.033143 
1 1 1   20    7   16 o  105.910   0.9697  1507.64   27.584  1491.84   38.716  1523.92   39.311  105.311   1.3688  106.436   1.3751 -1.125153 1.940204 
1 1 1   20    7   17 o  104.720   1.0556  1474.22   29.690  1452.95   41.561  1496.39   42.428  103.909   1.4891  105.450   1.4980 -1.540718 2.112233 
1 1 1   20    7   18 o  122.713   1.0746  2024.52   35.417  2017.78   49.881  2031.38   50.297  122.442   1.5168  122.852   1.5243 -0.4105072 2.150348 
1 1 1   20    7   19 o   27.848   0.8864  104.228   6.6300  114.574   9.1959   93.028   9.5675   29.189   1.1730   26.260   1.3611 2.928591 1.796826 
1 1 1   20    7   20 o   34.673   0.8029  161.560   7.4773  159.523   10.335  163.796   10.831   34.443   1.1172   34.899   1.1555 -0.4565697 1.607273 
1 1 1   20    7   21 o   64.228   0.8026  554.394   13.846  543.974   19.997  563.990   19.190   63.595   1.1707   64.760   1.1032 -1.165005 1.608614 
1 1 1   20    7   22 o   70.181   0.8567  662.039   16.149  685.350   23.013  639.423   22.667   71.376   1.2004   68.941   1.2242 2.435371 1.714501 
1 1 1   20    7   23 o   31.537   0.8961  133.707   7.5907  127.895   9.9019  141.990   11.821   30.832   1.1957   32.478   1.3551 -1.646019 1.807238 
1 1 1   20    7   24 o   41.162   0.8311  227.753   9.1888  230.741   12.134  223.736   14.070   41.416   1.0908   40.770   1.2849 0.6465874 1.685428 
1 1 1   20    7   25 o   55.184   0.8084  409.377   11.982  403.513   15.736  417.467   18.484   54.767   1.0697   55.690   1.2358 -0.9227448 1.634445 
1 1 1   20    7   26 o   37.055   0.8621  184.629   8.5802  185.482   11.083  183.352   13.556   37.126   1.1114   36.892   1.3681 0.2332001 1.762627 
1 1 1   20    7   27 o   23.483   1.1686   74.241   7.3709   81.925   10.000   65.099   10.907   24.601   1.5209   21.869   1.8750 2.732319 2.414280 
1 1 1   20    7   28 o   5.4398   2.3025   0.2585   5.8099   0.8922   8.0915  -0.4160   8.3474   6.5126   2.7348   6.3557   2.7271 0.1568842 3.862098 
1 1 1   20    7   29 o   63.645   0.9971  545.131   17.045  542.198   23.864  548.185   24.353   63.410   1.4012   63.755   1.4222 -0.3451653 1.996461 
1 1 1   20    7   30 o   32.035   1.0002  138.123   8.6060  136.947   13.135  139.007   11.392   31.850   1.5355   32.110   1.3208 -0.2603626 2.025403 
1 1 1   20    7   31 o   56.446   0.8633  428.625   13.088  446.784   17.890  407.716   19.197   57.589   1.1566   54.991   1.2997 2.598000 1.739839 
1 1 1   20    7   32 o   49.925   0.8232  335.290   11.038  339.559   14.822  329.975   16.539   50.210   1.0991   49.476   1.2446 0.7341652 1.660423 
1 1 1   20    7   33 f   26.939   1.0217   97.720   7.3924  105.341   9.7066   87.195   11.407   27.947   1.2931   25.334   1.6860 2.613234 2.124759 
1 1 1   20    7   34 o   66.197   0.8164  589.547   14.516  578.871   20.018  601.386   21.081   65.540   1.1372   66.794   1.1750 -1.254539 1.635211 
1 1 1   20    7   35 o   77.400   0.9045  806.411   18.803  794.440   27.630  816.737   25.663   76.716   1.3409   77.817   1.2278 -1.101364 1.818144 
1 1 1   20    7   36 o   46.549   0.8858  291.699   11.075  276.285   15.918  306.158   15.418   45.238   1.3101   47.640   1.2049 -2.402130 1.779896 
1 1 1   20    7   37 o   21.744   1.3686   64.136   7.9520   56.571   12.329   69.526   10.406   20.222   2.3114   22.577   1.7292 -2.355736 2.886631 
1 1 1   20    7   38 o   29.067   1.0199  113.890   7.9622  115.757   11.128  111.932   11.398   29.254   1.4162   28.720   1.4826 0.5345535 2.050325 
1 1 1   20    7   39 o   60.801   0.8337  497.781   13.616  504.118   18.976  491.057   19.548   61.113   1.1560   60.302   1.2069 0.8106041 1.671243 
1 1 1   20    7   40 o   21.597   1.2518   63.236   7.2301   68.987   9.4159   54.973   11.286   22.502   1.5677   19.943   2.1405 2.559008 2.653179 
1 1 1   20    7   41 o   35.083   1.0271  166.011   9.6787  160.999   12.263  174.293   15.763   34.501   1.3233   35.829   1.6380 -1.328365 2.105710 
1 1 1   20    7   42 o   16.768   1.5873   38.483   7.0637   36.338   9.3393   41.349   10.798   16.145   2.2118   17.187   2.4049 -1.041866 3.267360 
1 1 1   20    7   43 o   31.482   1.0420  133.710   8.8108  132.362   11.248  135.850   14.174   31.276   1.3390   31.576   1.6773 -0.2994251 2.146162 
1 1 1   20    7   44 o   23.665   1.2176   75.895   7.7131   99.261   10.450   47.933   11.432   27.026   1.4449   18.533   2.3493 8.492947 2.758061 
1 1 1   20    7   45 o   39.136   0.9319  206.530   9.7958  207.015   13.350  205.964   14.419   39.113   1.2707   38.988   1.3769 0.1250343 1.873668 
1 1 1   20    7   46 o   35.096   1.1042  166.469   10.409  174.268   14.078  157.063   15.461   35.824   1.4631   33.946   1.6957 1.878384 2.239675 
1 1 1   20    7   47 o   6.6304   2.7031   2.7293   7.5911  -2.7320   8.9007   17.300   14.539   6.0759   2.7049   11.230   3.9195 -5.153618 4.762239 
1 1 1   20    7   48 f   19.611   1.7464   53.118   9.1027   55.540   10.524   45.921   18.138   19.977   1.9877   17.282   3.9886 2.695492 4.456486 
1 1 1   20    7   49 o   14.724   2.2849   30.930   8.7434   28.877   11.826   33.406   12.986   13.854   3.2364   14.882   3.3318 -1.027182 4.644876 
1 1 1   20    7   50 o   15.181   2.9052   34.193   11.415 -15.9800   23.745   49.272   13.017   8.6027   4.0401   18.392   2.7169 -9.789655 4.868637 
1 1 1   20    7   51 o   11.491   3.9411   20.263   14.668   25.265   18.213   11.030   24.746   12.590   4.3874   11.076   4.7223 1.514031 6.445889 
1 1 1   20    7   52 o   23.419   2.3438   79.037   14.545  102.747   21.247   58.128   19.953   26.110   3.0896   18.815   4.0670 7.295370 5.107499 
1 1 1   20    8  -49 o   17.310   5.3775   52.920   27.634   0.0000   0.0000   52.920   27.634  ?   ?    17.310   5.3775 0.000000 5.377522 
1 1 1   20    8  -48 o   20.320   3.5264   62.166   18.548   0.0000   0.0000   62.166   18.548  ?   ?    20.320   3.5264 0.000000 3.526393 
1 1 1   20    8  -47 o   8.1839   3.6246  -2.4013   15.783 -24.2500   37.352   2.3476   17.414   10.668   5.0278   9.1579   3.9344 1.510223 6.384203 
1 1 1   20    8  -46 o   7.3473   3.0328   2.9729   9.7055   3.0393   11.956   2.8448   16.621   7.9964   3.3386   9.1145   3.8777 -1.118074 5.116964 
1 1 1   20    8  -45 o   24.031   1.8337   79.371   11.746   81.047   14.469   76.131   20.117   24.145   2.2572   22.932   3.3663 1.213346 4.053069 
1 1 1   20    8  -44 o   7.2774   2.9451   3.5849   8.9337   3.1026   12.550   4.0804   12.720   8.2217   3.4257   8.4298   3.4750 -0.2081156 4.879613 
1 1 1   20    8  -43 o   10.528   2.9925   15.907   8.8616   19.241   12.113   12.068   12.998   11.587   3.5538   10.027   3.6813 1.560595 5.116774 
1 1 1   20    8  -42 o   9.9486   3.2598   13.525   10.049   21.557   11.856  -6.9606   18.934   12.184   3.4608   8.6327   3.8860 3.550986 5.203727 
1 1 1   20    8  -41 o   31.149   1.2902  131.235   10.794  136.734   15.024  125.366   15.519   31.648   1.7746   30.257   1.9196 1.390545 2.614181 
1 1 1   20    8  -40 o   37.718   1.3516  192.533   13.693  195.060   24.122  191.331   16.632   37.585   2.4020   37.530   1.6500 0.5498505E-01 2.914125 
1 1 1   20    8  -39 o   10.018   3.2480   13.771   9.9871   22.471   16.919   9.1180   12.373   12.680   4.2333   9.3254   3.5564 3.354265 5.528947 
1 1 1   20    8  -38 o   20.822   1.6566   59.211   9.1878   53.221   12.868   65.441   13.123   19.517   2.5131   21.741   2.2813 -2.223665 3.394093 
1 1 1   20    8  -37 o   29.606   1.4477  118.631   11.512  116.939   14.256  121.801   19.517   29.274   1.8221   29.685   2.4703 -0.4112949 3.069574 
1 1 1   20    8  -36 o   39.130   1.2310  206.700   12.938  215.147   20.527  201.132   16.665   39.773   1.9215   38.528   1.6104 1.244934 2.507101 
1 1 1   20    8  -35 o   45.931   1.0555  284.325   13.022  274.516   18.287  294.415   18.547   45.047   1.5114   46.658   1.4799 -1.611156 2.115343 
1 1 1   20    8  -34 o   11.915   2.7719   20.258   8.7038   26.730   11.961   12.973   12.690   13.625   3.3028   10.270   3.6550 3.354352 4.926190 
1 1 1   20    8  -33 f   25.073   1.3574   85.106   9.1074   81.921   12.746   88.429   13.018   24.491   1.9539   25.459   1.9178 -0.9676781 2.737826 
1 1 1   20    8  -32 o   45.888   1.0198  283.578   12.569  285.504   17.934  281.719   17.622   45.979   1.4522   45.676   1.4364 0.3030167 2.042590 
1 1 1   20    8  -31 o   20.317   1.8059   56.322   9.7518   50.362   11.696   69.913   17.662   19.098   2.3283   22.372   3.0162 -3.273088 3.810346 
1 1 1   20    8  -30 o   12.353   3.1369   21.782   10.427   32.318   16.050   14.087   13.717   14.961   3.9397   10.715   3.8014 4.245964 5.474646 
1 1 1   20    8  -29 o   19.496   1.5685   51.666   8.1439   56.476   11.286   46.440   11.764   20.297   2.1005   18.311   2.4536 1.985861 3.229884 
1 1 1   20    8  -28 f   18.459   1.6509   46.395   8.0984   40.244   11.255   52.998   11.662   17.011   2.5412   19.631   2.2525 -2.620255 3.395808 
1 1 1   20    8  -27 o   13.011   2.3323   23.669   7.8513   26.394   10.788   20.601   11.448   13.631   3.0256   12.071   3.3909 1.560284 4.544518 
1 1 1   20    8  -26 o   40.613   1.4370  222.397   15.675  246.391   23.093  201.898   21.345   42.665   2.0152   38.559   2.0685 4.105770 2.887877 
1 1 1   20    8  -25 o   20.334   1.7602   56.249   9.5188   63.173   16.002   52.458   11.842   21.350   2.8627   19.540   2.3004 1.809885 3.672395 
1 1 1   20    8  -24 o   69.271   0.9898  645.467   18.416  639.953   25.982  651.035   26.107   68.918   1.4036   69.513   1.3983 -0.5950165 1.981272 
1 1 1   20    8  -23 o   48.145   0.9645  311.736   12.473  313.652   17.522  309.767   17.758   48.260   1.3518   47.957   1.3786 0.3025208 1.930806 
1 1 1   20    8  -22 o   86.365   1.0767  1003.33   24.975  1012.56   35.329  994.112   35.312   86.691   1.5173   85.895   1.5306 0.7958450 2.155185 
1 1 1   20    8  -21 o   68.496   0.9862  630.869   18.143  617.651   25.514  644.390   25.804   67.730   1.4025   69.182   1.3887 -1.452309 1.973692 
1 1 1   20    8  -20 o   17.655   1.6249   42.347   7.6188   41.225   10.717   43.493   10.833   17.304   2.3681   17.790   2.3226 -0.4857445 3.316955 
1 1 1   20    8  -19 o   42.469   0.9753  242.488   11.125  243.169   15.589  241.781   15.882   42.507   1.3654   42.383   1.3951 0.1235275 1.952094 
1 1 1   20    8  -18 o   55.508   0.8650  414.120   12.897  401.878   16.807  431.650   20.112   54.664   1.1447   56.639   1.3220 -1.975109 1.748760 
1 1 1   20    8  -17 o   59.446   0.9111  474.988   14.546  466.158   17.696  493.387   25.544   58.878   1.1190   60.535   1.5710 -1.656773 1.928828 
1 1 1   20    8  -16 o   11.186   1.5954   17.186   4.6577   14.756   5.2954   25.490   9.7896   10.289   1.9881   13.479   2.7957 -3.190071 3.430517 
1 1 1   20    8  -15 o   33.463   0.7357  150.461   6.6127  146.552   8.9819  155.088   9.7715   33.018   1.0128   33.964   1.0712 -0.9459953 1.474162 
1 1 1   20    8  -14 o   85.664   0.8409  986.164   19.347  976.391   27.190  996.188   27.536   85.211   1.1880   86.070   1.1911 -0.8592072 1.682304 
1 1 1   20    8  -13 o   39.004   0.7669  204.411   8.0344  195.191   11.884  212.173   10.904   38.101   1.1613   39.729   1.0219 -1.628281 1.546836 
1 1 1   20    8  -12 o  102.461   1.1556  1411.53   31.801  1414.54   40.249  1406.54   51.883  102.535   1.4615  102.180   1.8905 0.3548431 2.389502 
1 1 1   20    8  -11 o   42.241   0.8809  239.778   9.9942  247.441   12.961  228.536   15.697   42.901   1.1248   41.217   1.4179 1.684517 1.809867 
1 1 1   20    8  -10 f   97.601   1.1108  1280.61   29.120  1293.74   37.286  1260.07   46.627   98.069   1.4155   96.736   1.7945 1.332703 2.285625 
1 1 1   20    8   -9 o   34.275   0.8065  157.847   7.4245  156.445   12.650  158.585   9.1702   34.105   1.3809   34.350   0.9939 -0.2451096 1.701440 
1 1 1   20    8   -8 o   79.241   0.8522  843.736   18.138  865.787   30.738  831.956   22.466   80.229   1.4264   78.673   1.0632 1.555344 1.779075 
1 1 1   20    8   -7 o   61.871   0.7766  514.317   12.905  528.924   19.535  503.005   17.191   62.725   1.1595   61.175   1.0462 1.550354 1.561757 
1 1 1   20    8   -6 o   27.089   0.8546   98.605   6.2183  105.560   10.062   94.308   7.9093   28.017   1.3371   26.488   1.1117 1.529755 1.738936 
1 1 1   20    8   -5 o   36.069   0.7561  174.790   7.3252  170.794   11.688  177.374   9.4006   35.643   1.2209   36.330   0.9634 -0.6875610 1.555183 
1 1 1   20    8   -4 o   44.843   0.7276  270.158   8.7634  266.408   13.798  272.693   11.345   44.518   1.1540   45.047   0.9377 -0.5293655 1.486926 
1 1 1   20    8   -3 o   62.523   0.7489  525.185   12.577  532.423   19.750  520.247   16.312   62.934   1.1684   62.220   0.9761 0.7147598 1.522479 
1 1 1   20    8   -2 o   59.257   0.7395  471.748   11.770  467.944   18.395  474.385   15.315   59.001   1.1608   59.415   0.9597 -0.4135361 1.506121 
1 1 1   20    8   -1 o   99.949   0.9280  1342.39   24.914  1363.94   38.939  1327.45   32.417  100.706   1.4396   99.370   1.2146 1.335815 1.883528 
1 1 1   20    8    0 o   74.424   0.7954  744.192   15.900  762.692   24.952  731.545   20.631   75.321   1.2334   73.778   1.0411 1.542809 1.614059 
1 1 1   20    8    1 o   77.267   0.8087  802.143   16.784  777.817   25.701  820.233   22.163   76.062   1.2580   78.121   1.0562 -2.059120 1.642632 
1 1 1   20    8    2 o  107.267   1.0655  1546.45   30.699  1548.95   43.436  1543.96   43.394  107.310   1.5070  107.137   1.5080 0.1729507 2.131930 
1 1 1   20    8    3 o   35.125   0.8266  165.770   7.7986  176.275   13.489  160.497   9.5579   36.205   1.3872   34.557   1.0297 1.647770 1.727598 
1 1 1   20    8    4 o   93.804   0.9374  1182.44   23.617  1196.65   39.422  1174.48   29.495   94.314   1.5562   93.471   1.1748 0.8428421 1.949894 
1 1 1   20    8    5 o   52.020   0.7724  363.569   10.792  362.863   18.129  363.957   13.430   51.949   1.2993   52.041   0.9608 -0.9273148E-01 1.615988 
1 1 1   20    8    6 o   75.670   0.8439  769.377   17.151  766.021   28.607  771.260   21.430   75.469   1.4113   75.751   1.0533 -0.2824860 1.760972 
1 1 1   20    8    7 o   31.448   0.9393  132.904   7.9342  136.912   14.684  131.251   9.4292   31.847   1.7231   31.247   1.1235 0.5997982 2.056976 
1 1 1   20    8    8 o  116.366   1.1286  1820.31   35.274  1824.12   55.977  1817.81   45.429  116.400   1.7905  116.248   1.4550 0.1520615 2.307108 
1 1 1   20    8    9 o   30.768   0.8998  127.213   7.4360  130.836   12.885  125.403   9.1054   31.183   1.5384   30.543   1.1099 0.6404037 1.896979 
1 1 1   20    8   10 f  105.801   1.0635  1504.68   30.223  1531.72   55.388  1493.22   36.065  106.632   1.9339  105.376   1.2743 1.256912 2.315968 
1 1 1   20    8   11 o   53.609   0.7767  386.157   11.183  366.874   16.297  403.316   15.374   52.237   1.1616   54.776   1.0450 -2.538952 1.562439 
1 1 1   20    8   12 o   59.884   0.8282  481.893   13.322  504.083   19.109  460.911   18.582   61.230   1.1619   58.548   1.1816 2.681889 1.657226 
1 1 1   20    8   13 o   64.462   0.7934  558.369   13.737  542.227   20.044  572.667   18.864   63.502   1.1752   65.267   1.0761 -1.764645 1.593438 
1 1 1   20    8   14 o   76.447   0.8135  785.328   16.703  801.188   23.729  769.752   23.517   77.192   1.1445   75.661   1.1572 1.530579 1.627577 
1 1 1   20    8   15 o   91.698   0.9303  1130.16   22.914  1143.08   34.038  1119.45   30.986   92.175   1.3748   91.230   1.2646 0.9448853 1.867966 
1 1 1   20    8   16 o   7.9554   2.4649   8.5082   5.8104   11.085   7.8923   5.4583   8.5857   9.1165   2.8803   7.7214   2.9583 1.395156 4.128873 
1 1 1   20    8   17 o  106.541   0.9746  1525.90   27.890  1521.03   39.216  1530.89   39.673  106.319   1.3733  106.661   1.3848 -0.3423462 1.950316 
1 1 1   20    8   18 o   59.934   0.7645  482.707   12.306  487.840   17.188  477.308   17.628   60.234   1.0624   59.577   1.1016 0.6565094 1.530468 
1 1 1   20    8   19 o   33.654   0.8465  152.229   7.6514  153.238   10.058  150.842   11.788   33.755   1.1094   33.481   1.3108 0.2742882 1.717267 
1 1 1   20    8   20 o   36.886   0.8600  182.883   8.5206  192.192   11.494  171.528   12.695   37.800   1.1321   35.700   1.3239 2.100189 1.741976 
1 1 1   20    8   21 o   47.653   0.9119  305.296   11.672  304.547   14.472  306.690   19.742   47.581   1.1324   47.714   1.5405 -0.1330910 1.911941 
1 1 1   20    8   22 o   43.374   0.8196  252.887   9.5485  257.892   12.576  246.075   14.672   43.786   1.0693   42.757   1.2776 1.029636 1.666079 
1 1 1   20    8   23 o   17.606   1.3278   41.977   6.2330   39.703   7.9367   45.637   10.068   17.065   1.7567   18.257   2.0910 -1.191616 2.730943 
1 1 1   20    8   24 o   14.314   1.5385   27.939   5.8220   29.700   7.7633   25.676   8.8009   14.686   2.0217   13.546   2.5114 1.140343 3.224003 
1 1 1   20    8   25 o   64.806   0.7954  564.655   13.845  539.301   18.983  593.470   20.237   63.299   1.1166   66.399   1.1347 -3.100483 1.591971 
1 1 1   20    8   26 o   39.795   0.8115  212.954   8.6740  212.425   11.852  213.564   12.729   39.724   1.1108   39.823   1.1901 -0.9930038E-01 1.627925 
1 1 1   20    8   27 o   76.303   0.8730  783.139   17.891  772.582   23.900  796.597   26.984   75.738   1.1749   76.880   1.3068 -1.141960 1.757255 
1 1 1   20    8   28 f   13.035   2.1609   23.648   7.3002   17.094   10.198   30.535   10.455   11.047   3.2317   14.730   2.7435 -3.682370 4.239208 
1 1 1   20    8   29 o   28.420   1.0713  108.761   8.1774  102.089   11.057  116.815   12.149   27.458   1.5050   29.371   1.5455 -1.912943 2.157216 
1 1 1   20    8   30 o   64.522   0.8561  560.094   14.837  556.240   21.725  563.463   20.311   64.233   1.2592   64.666   1.1694 -0.4328842 1.718480 
1 1 1   20    8   31 o   29.313   1.0805  115.735   8.5067  122.167   12.956  110.861   11.278   30.019   1.6128   28.615   1.4724 1.403805 2.183816 
1 1 1   20    8   32 o   37.555   1.0146  189.930   10.234  184.549   13.901  196.299   15.123   36.974   1.3998   38.121   1.4769 -1.147659 2.034905 
1 1 1   20    8   33 f   42.672   0.8285  245.015   9.4963  238.177   12.839  253.274   14.110   42.037   1.1371   43.338   1.2122 -1.301037 1.662081 
1 1 1   20    8   34 o   21.777   1.2647   64.207   7.3659   72.791   9.9698   53.890   10.930   23.136   1.6145   19.798   2.0869 3.338425 2.638520 
1 1 1   20    8   35 o   59.542   0.8899  477.312   14.232  474.427   21.543  479.547   18.959   59.263   1.3534   59.623   1.1839 -0.3597679 1.798136 
1 1 1   20    8   36 o   28.433   1.0085  108.949   7.7014  110.748   10.414  106.777   11.442   28.626   1.3544   28.044   1.5247 0.5818119 2.039398 
1 1 1   20    8   37 o   20.795   1.2676   58.633   7.0462   63.737   9.4057   52.105   10.637   21.619   1.6319   19.439   2.0691 2.180174 2.635205 
1 1 1   20    8   38 o   67.164   0.8954  607.732   16.153  601.958   23.466  612.933   22.270   66.725   1.3093   67.357   1.2310 -0.6317825 1.797118 
1 1 1   20    8   39 o   36.578   1.0242  180.461   10.063  177.972   13.567  183.505   15.003   36.259   1.3931   36.791   1.5182 -0.5319214 2.060500 
1 1 1   20    8   40 o   12.736   2.2438   22.860   7.3948   25.990   10.508   19.789   10.408   13.413   2.9928   11.696   3.2140 1.716842 4.391656 
1 1 1   20    8   41 o   6.7330   2.6104   4.1341   6.7428   10.201   8.5626  -5.7686   10.940   8.8381   3.0113   6.4260   2.9173 2.412031 4.192690 
1 1 1   20    8   42 o   30.260   1.0235  123.525   8.3182  134.967   11.189  109.386   12.438   31.583   1.3190   28.329   1.6417 3.254080 2.105886 
1 1 1   20    8   43 o   43.174   0.8923  251.229   10.347  258.172   13.999  242.867   15.362   43.705   1.1925   42.352   1.3505 1.353397 1.801660 
1 1 1   20    8   44 o   21.800   1.2948   64.558   7.5475   63.872   9.9395   65.492   11.599   21.587   1.7288   21.786   2.0047 -0.1992245 2.647175 
1 1 1   20    8   45 o   20.094   1.6874   55.412   9.0229   59.606   12.716   51.158   12.805   20.652   2.3333   19.033   2.5707 1.618322 3.471692 
1 1 1   20    8   46 o   26.890   1.1741   97.911   8.4798  102.593   10.772   90.283   13.750   27.425   1.4677   25.543   2.0207 1.881754 2.497459 
1 1 1   20    8   47 o   28.712   1.3379  112.087   10.318  120.040   13.454  100.732   16.076   29.556   1.7020   26.836   2.2512 2.720154 2.822159 
1 1 1   20    8   48 o   7.6248   2.9751   5.7822   8.8012   4.9655   11.573   6.9025   13.554   8.1472   3.3314   8.9329   3.6232 -0.7857141 4.921955 
1 1 1   20    8   49 o   17.912   2.4572   46.150   11.510   39.576   18.090   50.622   14.920   15.652   4.2110   18.419   3.1277 -2.767737 5.245464 
1 1 1   20    8   50 o   15.507   3.7285   38.162   15.338   35.468   18.440   44.210   27.631   14.595   4.3654   15.624   5.4062 -1.029537 6.948650 
1 1 1   20    8   51 o   16.621   3.5751   43.828   15.486   31.616   18.906   68.730   26.998   13.611   4.4718   19.449   5.1039 -5.838514 6.785774 
1 1 1   20    9  -48 o   29.196   4.0006  132.800   30.547   0.0000   0.0000  132.800   30.547  ?   ?    29.196   4.0006 0.000000 4.000557 
1 1 1   20    9  -47 o   33.629   2.4464  159.992   21.946   0.0000   0.0000  159.992   21.946  ?   ?    33.629   2.4464 0.000000 2.446367 
1 1 1   20    9  -46 o   32.988   2.2604  152.070   19.908  101.700   46.043  163.651   22.078   23.270   6.8840   34.128   2.4243 -10.85827 7.298386 
1 1 1   20    9  -45 o   35.103   1.4094  167.510   13.288  158.825   16.505  183.512   22.403   34.001   1.8139   36.308   2.3093 -2.306587 2.936455 
1 1 1   20    9  -44 o   25.473   1.7219   88.937   11.712   99.716   14.871   71.330   19.006   26.859   2.0775   22.204   3.2862 4.654930 3.887773 
1 1 1   20    9  -43 o   10.678   2.9885   16.472   8.9094   3.8155   12.453   29.745   12.752   8.3075   3.4327   14.215   3.3880 -5.907667 4.823084 
1 1 1   20    9  -42 o   41.245   1.1444  229.849   12.678  240.839   17.815  218.573   18.045   42.105   1.5753   40.081   1.6762 2.023762 2.300264 
1 1 1   20    9  -41 o   18.961   2.1208   49.828   10.616   47.617   12.751   54.820   19.162   18.369   2.6621   19.292   3.8331 -0.9231014 4.666857 
1 1 1   20    9  -40 o   15.633   2.2371   34.175   9.1252   34.500   12.556   33.811   13.284   15.444   3.1341   15.225   3.3403 0.2188282 4.580431 
1 1 1   20    9  -39 o   11.591   3.1597   19.450   10.106   20.904   17.429   18.713   12.405   12.388   4.2933   11.483   3.6088 0.9045639 5.608550 
1 1 1   20    9  -38 o   40.317   1.1858  219.604   12.840  232.109   19.190  209.467   17.278   41.311   1.7295   39.269   1.6381 2.041145 2.382167 
1 1 1   20    9  -37 o   38.557   1.2656  200.967   13.107  203.046   20.835  199.605   16.862   38.512   2.0213   38.342   1.6374 0.1692848 2.601247 
1 1 1   20    9  -36 o   26.304   1.5622   94.122   10.988   91.849   13.490   98.603   18.939   25.890   1.9543   26.601   2.6876 -0.7112579 3.323020 
1 1 1   20    9  -35 o   47.594   1.1515  305.669   14.720  331.959   23.225  288.016   19.031   49.444   1.7488   46.113   1.5366 3.330898 2.327945 
1 1 1   20    9  -34 f   27.828   1.3046  104.596   9.7511  102.456   13.404  107.001   14.211   27.407   1.8315   27.995   1.9013 -0.5874348 2.639909 
1 1 1   20    9  -33 o   55.602   1.1487  416.910   17.155  420.461   23.381  412.771   25.248   55.740   1.5617   55.188   1.7033 0.5519638 2.310834 
1 1 1   20    9  -32 o   21.945   1.5134   65.418   8.8661   53.488   12.125   79.125   12.997   19.666   2.3416   24.044   2.0316 -4.377888 3.100055 
1 1 1   20    9  -31 o   17.360   1.7922   41.258   8.2362   45.761   11.627   36.723   11.669   18.152   2.4470   16.144   2.7921 2.007730 3.712695 
1 1 1   20    9  -30 o   34.486   1.1643  160.297   10.785  159.350   14.083  161.640   16.770   34.339   1.5269   34.494   1.8164 -0.1548882 2.372961 
1 1 1   20    9  -29 o   19.352   2.3278   51.693   11.857   48.027   15.922   56.258   17.765   18.384   3.3479   19.905   3.4476 -1.521032 4.805664 
1 1 1   20    9  -28 o   19.440   1.5786   51.395   8.1712   44.770   11.473   58.215   11.640   17.969   2.4402   20.598   2.1351 -2.628139 3.242440 
1 1 1   20    9  -27 o   35.333   1.0683  168.112   10.138  162.965   14.106  173.611   14.580   34.741   1.5117   35.858   1.5139 -1.116482 2.139429 
1 1 1   20    9  -26 o   17.293   1.7681   40.855   8.0967   41.159   11.227   40.525   11.688   17.215   2.5014   17.048   2.6376 0.1663780 3.635070 
1 1 1   20    9  -25 o   62.153   1.1357  520.196   18.959  520.137   23.352  520.309   32.472   62.106   1.3999   61.996   1.9501 0.1097946 2.400524 
1 1 1   20    9  -24 o   21.962   1.6636   65.497   9.7402   90.485   16.675   52.556   12.000   25.694   2.4459   19.544   2.3321 6.149940 3.379515 
1 1 1   20    9  -23 o   38.028   1.1354  194.665   11.596  182.141   17.900  203.722   15.223   36.716   1.8151   38.872   1.4580 -2.155815 2.328166 
1 1 1   20    9  -22 o   36.250   1.0445  176.801   10.170  167.802   14.484  185.550   14.282   35.278   1.5286   37.106   1.4330 -1.827682 2.095273 
1 1 1   20    9  -21 o   9.0475   2.7520   11.177   7.2834   20.411   10.133   1.3056   10.476   12.014   3.1143   7.4344   3.1163 4.579896 4.405716 
1 1 1   20    9  -20 f   17.128   2.0350   40.183   9.1785   43.501   13.197   37.074   12.774   17.671   2.8796   16.252   3.0381 1.419046 4.185977 
1 1 1   20    9  -19 o   78.458   0.9415  827.691   19.841  814.401   25.839  846.789   30.974   77.792   1.2366   79.292   1.4544 -1.500046 1.909055 
1 1 1   20    9  -18 o   67.825   0.8922  618.420   16.253  619.824   19.837  615.554   28.348   67.885   1.0879   67.596   1.5614 0.2888947 1.903033 
1 1 1   20    9  -17 o   49.739   0.9589  332.619   12.811  342.994   18.437  322.935   17.813   50.480   1.3598   48.982   1.3539 1.497814 1.918915 
1 1 1   20    9  -16 o   38.688   0.8834  201.195   9.1801  188.496   13.492  212.141   12.527   37.425   1.3422   39.713   1.1744 -2.287693 1.783482 
1 1 1   20    9  -15 o   12.244   1.5882   20.524   5.0998   13.265   7.5788   26.531   6.8941   9.7706   2.7640   13.901   1.8959 -4.130326 3.351770 
1 1 1   20    9  -14 o   89.581   0.9083  1078.64   21.854  1061.28   32.319  1093.26   29.665   88.809   1.3549   90.154   1.2251 -1.344276 1.826643 
1 1 1   20    9  -13 o   40.223   0.8421  217.439   9.0978  246.059   15.280  201.721   11.324   42.765   1.3303   38.733   1.0885 4.032524 1.718843 
1 1 1   20    9  -12 o   59.011   0.7309  467.901   11.584  464.897   18.076  469.995   15.090   58.798   1.1446   59.132   0.9501 -0.3335342 1.487537 
1 1 1   20    9  -11 o   74.613   0.7937  748.087   15.906  765.563   24.990  736.185   20.623   75.446   1.2332   74.001   1.0376 1.445763 1.611633 
1 1 1   20    9  -10 o   61.146   0.8232  502.429   13.519  499.589   21.816  504.201   17.226   60.941   1.3328   61.241   1.0472 -0.3004036 1.695012 
1 1 1   20    9   -9 o   73.481   0.9134  725.680   18.027  719.795   27.439  730.149   23.911   73.144   1.3967   73.685   1.2082 -0.5410461 1.846739 
1 1 1   20    9   -8 o   63.108   0.9090  535.249   15.408  538.074   19.900  531.020   24.348   63.258   1.1712   62.822   1.4430 0.4363785 1.858496 
1 1 1   20    9   -7 o   57.812   0.8095  449.117   12.570  445.306   17.905  452.820   17.651   57.549   1.1584   58.034   1.1324 -0.4849892 1.619912 
1 1 1   20    9   -6 o   31.767   0.8665  135.615   7.3932  134.315   10.676  136.814   10.249   31.603   1.2577   31.898   1.1962 -0.2948132 1.735714 
1 1 1   20    9   -5 o   8.9205   2.2782   11.145   5.4778  -5.1283   8.2495   23.980   7.3260   5.5557   2.5265   13.168   2.1451 -7.612719 3.314337 
1 1 1   20    9   -4 o   58.474   0.7782  459.422   12.222  467.732   18.338  452.782   16.393   58.982   1.1576   58.037   1.0516 0.9444389 1.563915 
1 1 1   20    9   -3 o   71.083   0.7829  678.914   14.948  688.694   23.417  672.188   19.419   71.566   1.2182   70.717   1.0224 0.8497009 1.590396 
1 1 1   20    9   -2 o   77.150   0.8095  799.780   16.774  792.349   26.027  805.059   21.938   76.760   1.2624   77.389   1.0554 -0.6287918 1.645444 
1 1 1   20    9   -1 o   52.924   0.7322  376.320   10.409  382.409   16.385  372.201   13.477   53.333   1.1438   52.625   0.9535 0.7078438 1.489139 
1 1 1   20    9    0 o   76.227   0.8833  780.843   18.085  793.329   25.807  768.795   25.350   76.809   1.2509   75.612   1.2482 1.196815 1.767172 
1 1 1   20    9    1 o   26.103   0.9944   91.582   6.9721   86.307   10.137   96.317   9.6043   25.283   1.4995   26.761   1.3362 -1.477879 2.008492 
1 1 1   20    9    2 o   85.412   0.8523  980.308   19.552  980.099   30.354  980.456   25.562   85.366   1.3239   85.400   1.1144 -0.3392029E-01 1.730460 
1 1 1   20    9    3 o   81.439   0.8318  891.207   18.195  890.510   28.260  891.701   23.779   81.373   1.2930   81.444   1.0870 -0.7133484E-01 1.689212 
1 1 1   20    9    4 o   53.410   0.7397  383.272   10.611  380.689   16.442  385.117   13.892   53.212   1.1504   53.529   0.9662 -0.3175125 1.502340 
1 1 1   20    9    5 o   41.683   0.8201  233.469   9.1816  260.461   17.598  223.373   10.763   43.997   1.4892   40.766   0.9829 3.230541 1.784303 
1 1 1   20    9    6 o   35.601   0.8830  170.328   8.4434  170.581   15.005  170.210   10.214   35.601   1.5692   35.583   1.0687 0.1810455E-01 1.898587 
1 1 1   20    9    7 o   35.365   0.8349  168.063   7.9305  159.839   13.291  172.610   9.8828   34.468   1.4356   35.834   1.0268 -1.366631 1.765034 
1 1 1   20    9    8 o  110.240   1.0410  1633.70   30.822  1620.98   50.939  1641.05   38.714  109.715   1.7286  110.457   1.3049 -0.7416611 2.165826 
1 1 1   20    9    9 o   30.662   0.8997  126.352   7.4091  123.649   12.598  127.782   9.1608   30.270   1.5548   30.829   1.1063 -0.5591583 1.908221 
1 1 1   20    9   10 o   19.961   1.2085   53.782   6.4488   51.846   11.228   54.735   7.8776   19.484   2.1831   20.114   1.4683 -0.6303730 2.630938 
1 1 1   20    9   11 o   62.769   0.8971  529.531   15.125  534.655   26.033  526.920   18.583   63.024   1.5379   62.601   1.1052 0.4226952 1.893815 
1 1 1   20    9   12 o   32.984   0.8741  146.219   7.7438  136.455   11.045  155.658   10.860   31.849   1.2912   34.021   1.1885 -2.171618 1.754875 
1 1 1   20    9   13 o   17.304   1.3308   40.523   6.1376   50.973   8.6612   29.982   8.6988   19.382   1.6804   14.733   2.2712 4.648293 2.825231 
1 1 1   20    9   14 o   39.930   0.8278  214.283   8.8785  226.148   12.998  203.905   12.156   41.005   1.1802   38.938   1.1623 2.067852 1.656479 
1 1 1   20    9   15 o   32.156   1.0712  139.041   9.2514  137.773   11.133  141.872   16.632   32.000   1.2953   32.380   1.9209 -0.3801231 2.316849 
1 1 1   20    9   16 o   47.779   0.8299  306.820   10.651  315.944   13.439  291.413   17.464   48.474   1.0322   46.530   1.3974 1.943855 1.737270 
1 1 1   20    9   17 o   27.854   0.9539  104.312   7.1366  106.873   9.1940  100.430   11.320   28.185   1.2145   27.262   1.5523 0.9221134 1.970958 
1 1 1   20    9   18 o   68.485   0.8288  630.427   15.245  631.876   20.346  628.572   23.022   68.540   1.1052   68.345   1.2541 0.1948853 1.671625 
1 1 1   20    9   19 o   35.513   0.8383  169.534   7.9964  163.023   11.022  176.771   11.619   34.808   1.1789   36.245   1.1935 -1.437218 1.677585 
1 1 1   20    9   20 f   54.605   0.7877  400.787   11.552  401.188   15.544  400.292   17.265   54.612   1.0597   54.540   1.1786 0.7164764E-01 1.584955 
1 1 1   20    9   21 o   43.865   0.7786  258.653   9.1739  261.693   12.591  255.214   13.393   44.104   1.0629   43.548   1.1451 0.5555611 1.562361 
1 1 1   20    9   22 o   57.862   0.7728  450.083   12.010  456.425   16.812  443.474   17.162   58.241   1.0747   57.404   1.1131 0.8362923 1.547278 
1 1 1   20    9   23 o   8.8178   2.3330   10.922   5.6110   19.215   7.5474   0.6746   8.3896   11.679   2.4825   6.5835   2.7756 5.095616 3.723823 
1 1 1   20    9   24 o   19.832   1.1797   53.151   6.2554   53.783   8.4384   52.381   9.3202   19.899   1.5921   19.608   1.7895 0.2917709 2.395212 
1 1 1   20    9   25 o   18.712   1.2816   47.402   6.4023   47.203   8.3574   47.684   9.9605   18.617   1.6898   18.657   2.0200 -0.3986359E-01 2.633559 
1 1 1   20    9   26 o   30.409   0.9670  124.446   7.8978  116.681   11.193  132.143   11.145   29.410   1.4170   31.307   1.3254 -1.896856 1.940277 
1 1 1   20    9   27 o   15.095   1.7970   31.262   7.1428   32.693   8.8510   28.589   12.095   15.363   2.2085   14.143   3.2521 1.219903 3.931101 
1 1 1   20    9   28 o   26.439   0.9945   94.103   7.0620  100.439   9.5692   86.526   10.465   27.290   1.3055   25.261   1.5499 2.029055 2.026458 
1 1 1   20    9   29 o   49.322   0.7969  327.235   10.557  318.145   14.517  337.440   15.381   48.595   1.1122   50.042   1.1443 -1.447277 1.595783 
1 1 1   20    9   30 o   19.025   1.2784   49.040   6.4947   47.996   8.6753   50.371   9.7963   18.750   1.7426   19.178   1.9279 -0.4281940 2.598755 
1 1 1   20    9   31 o   6.8253   2.5678   4.7444   6.3967   3.5716   8.8585   6.0221   9.2466   7.3151   2.9424   7.9765   3.0668 -0.6614032 4.249998 
1 1 1   20    9   32 o   52.083   0.9036  365.177   12.640  350.476   19.740  375.394   16.456   50.929   1.4431   52.765   1.1612 -1.836525 1.852229 
1 1 1   20    9   33 o   56.289   0.9442  426.711   14.275  420.006   23.356  430.709   18.036   55.710   1.5609   56.506   1.1884 -0.7959099 1.961766 
1 1 1   20    9   34 f   35.800   1.0406  172.748   10.006  169.349   13.919  176.383   14.395   35.383   1.4646   36.107   1.4843 -0.7238731 2.085245 
1 1 1   20    9   35 o   14.295   1.8194   28.203   6.8274   23.928   9.0457   33.862   10.408   12.953   2.6881   15.497   2.5920 -2.544013 3.734166 
1 1 1   20    9   36 o   9.2681   2.4742   12.221   6.2743   7.4121   7.9881   19.967   10.138   7.9695   2.8920   11.763   3.1471 -3.793455 4.274051 
1 1 1   20    9   37 o   19.407   1.4929   51.337   7.7223   47.977   8.9625   61.022   15.215   18.693   1.8077   20.819   2.7912 -2.126831 3.325445 
1 1 1   20    9   38 o   12.015   2.1599   20.339   6.7139   31.007   8.4060   1.5441   11.158   14.901   2.1635   7.5887   3.2003 7.312777 3.862958 
1 1 1   20    9   39 o   32.923   0.9937  146.199   8.7874  141.919   11.263  152.857   14.048   32.389   1.2947   33.560   1.5584 -1.170254 2.026073 
1 1 1   20    9   40 o   10.892   2.2833   16.880   6.4663   25.870   8.3279   3.2303   10.261   13.526   2.3792   7.6184   3.1285 5.907628 3.930415 
1 1 1   20    9   41 o   56.052   0.8568  423.318   12.898  433.097   17.796  412.496   18.722   56.615   1.1703   55.225   1.2622 1.390362 1.721242 
1 1 1   20    9   42 o   5.8790   2.5013   0.3140   6.9156  -5.7226   9.4945   7.1361   10.093   5.8953   2.6923   8.3712   3.2075 -2.475914 4.187668 
1 1 1   20    9   43 o   20.764   1.4781   58.818   8.1898   54.298   11.433   63.580   11.737   19.760   2.1910   21.439   2.0637 -1.679077 3.009922 
1 1 1   20    9   44 o   13.918   2.5383   27.683   9.1392   38.225   13.125   17.760   12.733   16.205   3.1289   11.200   3.6694 5.004768 4.822307 
1 1 1   20    9   45 o   26.491   1.3952   95.629   9.8925   94.454   13.996   96.803   13.984   26.126   2.0099   26.461   1.9821 -0.3352375 2.822836 
1 1 1   20    9   46 o   15.463   2.0159   33.537   8.1733   33.798   9.9644   33.000   14.289   15.355   2.5023   14.730   3.6341 0.6244888 4.412224 
1 1 1   20    9   47 o   27.552   1.5608  104.282   11.503  108.298   16.244  100.243   16.292   27.781   2.1948   26.668   2.2970 1.113222 3.177031 
1 1 1   20    9   48 o   38.141   1.8857  201.838   19.317  197.775   24.183  209.000   32.110   37.300   2.4271   37.587   3.2114 -0.2874794 4.025425 
1 1 1   20    9   49 o   10.199   3.8447   14.106   14.354   4.3019   17.552   33.900   24.940   9.1680   3.9446   14.070   5.1094 -4.902274 6.454914 
1 1 1   20    9   50 o   16.315   3.0740   40.697   12.976   44.386   18.577   37.182   18.133   16.223   4.2224   14.770   4.3061 1.452821 6.030860 
1 1 1   20   10  -47 o   9.8046   4.0201   9.1667   16.911   0.0000   0.0000   9.1667   16.911  ?   ?    9.8046   4.0201 0.000000 4.020119 
1 1 1   20   10  -46 o   12.074   4.2733   21.583   17.324   0.0000   0.0000   21.583   17.324  ?   ?    12.074   4.2733 0.000000 4.273321 
1 1 1   20   10  -45 o   16.215   3.7316   40.204   15.915  -1.7320   41.569   47.406   17.227   12.536   5.6896   17.630   3.7533 -5.093400 6.816037 
1 1 1   20   10  -44 o   7.6292   3.0946   4.2076   9.8879   11.253   12.372  -8.2491   16.451   9.6319   3.5814   7.7389   3.5380 1.893006 5.034306 
1 1 1   20   10  -43 o   6.5724   2.9074  -2.4006   10.126  -7.4343   12.898   5.6858   16.347   6.8297   3.1262   9.4794   3.9263 -2.649726 5.018881 
1 1 1   20   10  -42 o   6.3841   2.7702  -0.7632   8.8047  -5.2028   12.328   3.8585   12.579   6.9340   3.1272   8.3376   3.4480 -1.403589 4.654911 
1 1 1   20   10  -41 o   33.052   1.2450  147.815   11.052  141.208   15.315  154.997   15.966   32.133   1.7814   33.673   1.7716 -1.540028 2.512380 
1 1 1   20   10  -40 o   11.758   2.9255   20.034   9.2016   14.919   11.956   27.466   14.411   10.504   3.5584   13.632   3.7957 -3.127359 5.202901 
1 1 1   20   10  -39 o   3.6039   1.8184 -26.7045   8.2936 -24.5545   11.095 -29.4274   12.486   4.7553   2.3522   4.9312   2.4489 -0.1758947 3.395567 
1 1 1   20   10  -38 o   39.503   1.3481  211.293   14.303  207.009   25.151  213.341   17.389   38.675   2.4336   39.618   1.6342 -0.9432449 2.931400 
1 1 1   20   10  -37 o   43.892   1.1344  260.200   13.373  268.360   19.862  253.434   18.087   44.429   1.6644   43.209   1.5585 1.220821 2.280169 
1 1 1   20   10  -36 o   7.8483   3.0392   5.8312   9.1311   5.3095   14.225   6.1968   11.908   9.0378   3.6942   8.6345   3.4322 0.4033108 5.042572 
1 1 1   20   10  -35 f   22.043   1.7635   66.491   10.353   68.817   12.576   61.598   18.237   22.337   2.1217   20.700   3.3980 1.636591 4.005978 
1 1 1   20   10  -34 o   53.962   1.1244  392.958   16.297  393.009   25.522  392.922   21.177   53.774   1.7671   53.869   1.4636 -0.9466171E-01 2.294486 
1 1 1   20   10  -33 o   17.483   1.8604   42.006   8.6015   32.174   11.636   53.851   12.772   14.994   2.9942   19.667   2.4725 -4.672586 3.883107 
1 1 1   20   10  -32 o   6.9062   2.8115   2.7557   8.1976  -3.1971   10.876   10.587   12.474   6.7841   3.0065   9.6949   3.5979 -2.910812 4.688716 
1 1 1   20   10  -31 o   35.485   1.1241  169.779   10.714  168.998   15.062  170.580   15.244   35.334   1.5870   35.497   1.5989 -0.1628761 2.252837 
1 1 1   20   10  -30 o   55.865   1.0100  420.392   15.154  422.604   21.296  418.122   21.569   55.929   1.4177   55.626   1.4437 0.3034973 2.023357 
1 1 1   20   10  -29 o   18.805   1.6465   48.213   8.2325   52.507   11.654   43.935   11.631   19.506   2.2666   17.764   2.5075 1.741957 3.380115 
1 1 1   20   10  -28 o   68.189   1.3186  627.400   24.151  602.739   37.381  645.068   31.640   66.598   2.0898   69.033   1.7065 -2.434334 2.697982 
1 1 1   20   10  -27 o   43.449   1.1018  254.338   12.858  258.651   16.870  248.359   19.862   43.768   1.4351   42.836   1.7263 0.9311943 2.244894 
1 1 1   20   10  -26 o   29.459   1.1916  116.963   9.4284  121.097   13.313  112.802   13.355   29.878   1.6655   28.822   1.7332 1.056721 2.403745 
1 1 1   20   10  -25 o   61.631   0.9986  511.341   16.531  503.413   23.096  519.669   23.671   61.079   1.4078   62.055   1.4202 -0.9757423 1.999750 
1 1 1   20   10  -24 o   78.155   1.1994  823.027   25.178  798.562   30.629  874.007   44.214   76.918   1.4825   80.285   2.0504 -3.367279 2.530217 
1 1 1   20   10  -23 o   38.190   1.2291  196.510   12.607  198.162   15.968  193.776   20.543   38.313   1.5517   37.763   2.0328 0.5499954 2.557398 
1 1 1   20   10  -22 o   65.497   1.1508  577.671   20.245  606.964   36.161  564.298   24.434   66.952   2.0109   64.691   1.4062 2.260353 2.453794 
1 1 1   20   10  -21 o   43.258   1.2272  252.025   14.259  230.835   23.949  263.661   17.747   41.218   2.1709   44.215   1.4944 -2.996830 2.635562 
1 1 1   20   10  -20 o   67.304   0.8543  609.128   15.444  615.841   19.547  597.974   25.196   67.648   1.0758   66.610   1.4083 1.037651 1.772207 
1 1 1   20   10  -19 o   41.330   0.8894  229.707   9.8731  222.651   12.746  240.291   15.611   40.671   1.1668   42.233   1.3762 -1.561691 1.804279 
1 1 1   20   10  -18 o   58.418   0.8840  458.868   13.871  469.898   18.514  444.755   20.942   59.090   1.1666   57.465   1.3568 1.624008 1.789370 
1 1 1   20   10  -17 o   92.870   0.8882  1159.63   22.155  1181.70   34.946  1144.79   28.647   93.672   1.3890   92.237   1.1563 1.434471 1.807309 
1 1 1   20   10  -16 o   76.284   0.8439  782.281   17.291  750.139   25.392  810.073   23.611   74.655   1.2663   77.597   1.1329 -2.942268 1.699118 
1 1 1   20   10  -15 f   45.511   0.8652  278.435   10.576  287.469   14.121  266.896   15.960   46.227   1.1373   44.528   1.3344 1.699123 1.753351 
1 1 1   20   10  -14 o   28.686   0.9585  110.641   7.3850  118.286   12.119  106.124   9.3143   29.595   1.5298   28.084   1.2348 1.511171 1.965959 
1 1 1   20   10  -13 o   44.638   0.7574  267.783   9.0813  275.539   15.013  263.306   11.404   45.254   1.2351   44.254   0.9595 0.9997406 1.563989 
1 1 1   20   10  -12 o   61.195   0.7489  503.238   12.309  529.450   19.486  485.832   15.879   62.740   1.1563   60.113   0.9835 2.626923 1.518008 
1 1 1   20   10  -11 o   19.140   1.1318   49.444   5.7929   45.263   10.353   51.349   6.9895   18.184   2.1620   19.488   1.3435 -1.303751 2.545470 
1 1 1   20   10  -10 o   16.989   1.1578   38.998   5.2517   36.059   8.2650   40.989   6.8013   16.239   1.9329   17.388   1.4701 -1.148777 2.428380 
1 1 1   20   10   -9 o   30.117   0.8602  121.911   6.9580  120.500   10.593  122.982   9.2277   29.927   1.3179   30.241   1.1361 -0.3139706 1.739982 
1 1 1   20   10   -8 o  127.397   1.2699  2183.31   43.454  2200.72   58.704  2162.21   64.628  127.816   1.7100  126.647   1.8999 1.168854 2.556118 
1 1 1   20   10   -7 o   49.694   0.7887  331.851   10.527  323.166   15.045  340.182   14.735   49.022   1.1427   50.299   1.0907 -1.277039 1.579648 
1 1 1   20   10   -6 o   26.849   0.8861   96.885   6.3902   97.609   9.9956   96.384   8.3102   26.898   1.3883   26.772   1.1557 0.1259136 1.806394 
1 1 1   20   10   -5 o   17.330   1.1882   40.580   5.4975   41.248   8.7519   40.145   7.0653   17.391   1.9048   17.200   1.5459 0.1909981 2.453161 
1 1 1   20   10   -4 o   47.151   0.7609  298.741   9.6360  287.954   14.533  307.204   12.873   46.274   1.1693   47.804   1.0026 -1.530300 1.540238 
1 1 1   20   10   -3 o   15.778   1.2017   33.673   5.0542   38.610   7.1784   28.818   7.1175   16.859   1.6046   14.505   1.8705 2.353732 2.464480 
1 1 1   20   10   -2 o   66.211   0.7584  589.063   13.488  590.035   19.087  588.095   19.062   66.246   1.0727   66.137   1.0731 0.1090164 1.517307 
1 1 1   20   10   -1 o  109.551   1.1377  1613.79   33.475  1621.28   41.102  1599.04   57.690  109.771   1.3941  108.912   1.9721 0.8588257 2.415100 
1 1 1   20   10    0 o   51.774   0.7655  360.186   10.645  376.831   14.627  341.439   15.523   52.944   1.0286   50.390   1.1469 2.553936 1.540555 
1 1 1   20   10    1 o   79.209   0.8952  843.244   19.045  828.244   24.397  866.647   30.472   78.481   1.1574   80.254   1.4137 -1.773056 1.827016 
1 1 1   20   10    2 o  113.392   1.1081  1728.81   33.747  1706.86   43.248  1762.98   53.961  112.625   1.4297  114.403   1.7561 -1.778313 2.264495 
1 1 1   20   10    3 o   64.013   0.8324  550.676   14.312  553.912   18.497  545.849   22.590   64.186   1.0729   63.699   1.3204 0.4873924 1.701342 
1 1 1   20   10    4 o   29.046   0.9503  113.400   7.4137  104.489   9.6757  126.071   11.538   27.870   1.2925   30.609   1.4034 -2.738840 1.907900 
1 1 1   20   10    5 o   61.390   0.8808  506.517   14.523  484.336   19.263  535.731   22.107   60.011   1.1951   63.106   1.3043 -3.095085 1.768979 
1 1 1   20   10    6 o   27.650   1.1014  102.798   8.1799  102.531   11.687  103.054   11.453   27.550   1.5861   27.624   1.5498 -0.7411385E-01 2.217568 
1 1 1   20   10    7 o   60.674   0.8812  494.792   14.361  499.164   21.842  491.462   19.060   60.910   1.3351   60.451   1.1739 0.4591522 1.777779 
1 1 1   20   10    8 o   24.749   1.0651   82.359   7.0800   85.478   10.257   79.519   9.7853   25.152   1.5254   24.258   1.5093 0.8941879 2.145940 
1 1 1   20   10    9 o  124.591   1.2581  2088.22   42.100  2045.15   62.472  2124.05   56.982  123.169   1.8884  125.570   1.6895 -2.401031 2.533878 
1 1 1   20   10   10 o   80.344   0.9255  867.709   19.972  861.516   31.411  871.912   25.876   80.000   1.4618   80.512   1.1966 -0.5124817 1.889125 
1 1 1   20   10   11 o   86.508   0.9167  1005.99   21.301  991.016   35.221  1014.62   26.747   85.790   1.5285   86.855   1.1465 -1.065804 1.910751 
1 1 1   20   10   12 o  124.047   1.1983  2069.97   39.926  2049.84   62.675  2083.72   51.797  123.288   1.8927  124.388   1.5504 -1.100174 2.446608 
1 1 1   20   10   13 o   44.059   0.8219  260.909   9.7259  256.484   13.870  265.190   13.642   43.665   1.1827   44.402   1.1439 -0.7373161 1.645323 
1 1 1   20   10   14 o   28.699   1.0586  110.765   8.1596  119.472   10.677   98.537   12.652   29.793   1.3342   26.979   1.7556 2.814554 2.205065 
1 1 1   20   10   15 f   72.982   0.8146  715.940   15.968  708.986   24.401  721.147   21.118   72.584   1.2516   73.224   1.0738 -0.6398163 1.649112 
1 1 1   20   10   16 o   48.046   0.7803  310.272   10.069  309.987   15.193  310.496   13.446   47.998   1.1785   48.047   1.0419 -0.4947281E-01 1.573068 
1 1 1   20   10   17 o   40.528   0.8029  220.795   8.7405  228.779   13.256  214.655   11.625   41.231   1.1970   39.945   1.0836 1.285427 1.614623 
1 1 1   20   10   18 o   70.019   0.9143  659.267   17.195  661.044   25.637  657.814   23.182   70.058   1.3624   69.904   1.2347 0.1533356 1.838652 
1 1 1   20   10   19 o   29.798   0.9078  119.406   7.2652  120.710   9.7419  117.773   10.905   29.944   1.2113   29.567   1.3732 0.3767433 1.831078 
1 1 1   20   10   20 o   40.314   0.7961  218.504   8.6204  228.347   11.863  207.493   12.548   41.193   1.0723   39.257   1.1900 1.935341 1.601815 
1 1 1   20   10   21 o   39.966   0.7998  214.771   8.5852  209.623   11.750  220.666   12.574   39.462   1.1086   40.484   1.1564 -1.021866 1.601949 
1 1 1   20   10   22 o   47.200   0.7854  299.566   9.9567  296.789   13.688  302.687   14.509   46.954   1.0854   47.412   1.1394 -0.4584770 1.573604 
1 1 1   20   10   23 o   83.990   0.9540  949.241   21.520  949.552   30.323  948.925   30.546   83.922   1.3453   83.892   1.3556 0.3025818E-01 1.909849 
1 1 1   20   10   24 o   35.570   0.9378  170.256   8.9592  183.579   12.699  157.054   12.641   36.903   1.2812   34.123   1.3793 2.780266 1.882540 
1 1 1   20   10   25 o   13.461   1.7391   24.911   6.1407   27.029   8.1003   22.050   9.4159   13.934   2.2404   12.449   2.8742 1.485029 3.644252 
1 1 1   20   10   26 o   21.781   1.3046   64.215   7.5971   62.859   9.8288   66.228   11.974   21.488   1.7174   21.998   2.0502 -0.5105133 2.674454 
1 1 1   20   10   27 o   19.806   1.2514   53.105   6.6227   47.823   8.5610   60.978   10.451   18.720   1.7219   21.133   1.8602 -2.412724 2.534813 
1 1 1   20   10   28 o   32.642   0.9867  143.474   8.6506  144.960   11.821  141.761   12.693   32.774   1.3429   32.396   1.4588 0.3778992 1.982750 
1 1 1   20   10   29 o   27.207   1.1240   99.766   8.2138  105.808   11.471   93.409   11.767   27.934   1.5348   26.216   1.6800 1.718578 2.275475 
1 1 1   20   10   30 o   40.966   0.8812  225.900   9.6964  219.685   13.018  233.645   14.532   40.359   1.2009   41.606   1.3004 -1.247196 1.770119 
1 1 1   20   10   31 o   36.906   0.8684  183.354   8.6077  178.338   11.569  189.575   12.884   36.361   1.1846   37.475   1.2800 -1.114243 1.743997 
1 1 1   20   10   32 o   21.069   1.2269   60.116   6.9128   59.876   9.1387   60.438   10.569   20.959   1.6363   21.006   1.8936 -0.4672241E-01 2.502638 
1 1 1   20   10   33 o   20.825   1.2353   58.764   6.8789   57.489   8.9907   60.565   10.683   20.527   1.6445   21.016   1.9136 -0.4885960 2.523179 
1 1 1   20   10   34 o   19.944   1.3517   54.037   7.1983   54.115   8.9598   53.896   12.089   19.895   1.6928   19.700   2.3299 0.1946793 2.879952 
1 1 1   20   10   35 f   26.561   1.2435   95.343   8.8711   90.482   13.106   99.453   12.051   25.697   1.9126   27.010   1.6694 -1.312393 2.538690 
1 1 1   20   10   36 o   40.284   1.0986  219.070   11.887  215.833   15.314  223.977   18.857   39.915   1.4284   40.578   1.7301 -0.6637955 2.243591 
1 1 1   20   10   37 o   7.5280   2.7168   6.6999   7.0359  -1.8088   9.4302   17.384   10.567   6.4545   2.8324   11.026   3.3062 -4.571042 4.353518 
1 1 1   20   10   38 o   27.802   1.1223  104.400   8.3807  105.224   11.577  103.494   12.148   27.797   1.5569   27.543   1.6496 0.2536297 2.268330 
1 1 1   20   10   39 o   28.113   1.0629  106.688   8.0258  109.752   10.572  102.522   12.330   28.463   1.3829   27.403   1.6833 1.060287 2.178572 
1 1 1   20   10   40 o   53.268   0.8602  382.374   12.307  398.941   16.939  363.852   17.911   54.333   1.1607   51.852   1.2860 2.481178 1.732412 
1 1 1   20   10   41 o   16.322   1.6338   36.588   7.0664   37.933   9.0593   34.498   11.293   16.510   2.0897   15.518   2.8129 0.9920330 3.504207 
1 1 1   20   10   42 o   40.686   0.9129  223.269   9.9759  222.114   13.425  224.692   14.908   40.509   1.2338   40.708   1.3635 -0.1991425 1.838857 
1 1 1   20   10   43 o   38.687   1.1573  202.535   12.026  191.961   16.950  213.253   17.064   37.506   1.6825   39.559   1.6060 -2.053356 2.325984 
1 1 1   20   10   44 o   20.100   1.5045   55.336   8.0634   63.804   9.9237   38.883   13.833   21.526   1.7311   16.216   3.2885 5.309830 3.716282 
1 1 1   20   10   45 o   11.639   2.7648   19.921   8.5149   22.025   9.5521   11.779   18.789   12.195   2.9487   10.689   4.2902 1.505625 5.205838 
1 1 1   20   10   46 o   11.320   3.7255   19.087   13.120   28.533   18.661   9.8520   18.450   13.455   4.4438   10.254   4.2011 3.200619 6.115269 
1 1 1   20   10   47 o   10.699   3.8425   16.378   14.056   14.077   17.975   20.000   22.549   10.712   4.2298   12.068   4.7464 -1.355622 6.357654 
1 1 1   20   10   48 o   15.255   3.3019   35.971   13.137   34.906   19.399   36.873   17.853   14.353   4.5132   14.877   4.2541 -0.5239477 6.202129 
1 1 1   20   10   49 o   9.9108   3.6320   14.133   12.644   16.907   18.948   11.906   16.977   10.984   4.3410   10.006   4.0563 0.9775620 5.941175 
1 1 1   20   11  -46 o   8.4442   4.0127 -20.1600   24.737   0.0000   0.0000 -20.1600   24.737  ?   ?    8.4442   4.0127 0.000000 4.012681 
1 1 1   20   11  -45 o   34.625   2.4699  170.355   22.819   0.0000   0.0000  170.355   22.819  ?   ?    34.625   2.4699 0.000000 2.469872 
1 1 1   20   11  -44 o   25.479   2.6608   92.758   17.940   70.140   42.989   97.527   19.742   19.227   6.7382   26.005   2.8745 -6.778095 7.325719 
1 1 1   20   11  -43 o   26.455   1.9268   96.808   13.597   88.207   18.471  106.980   20.088   24.839   2.8185   27.409   2.7665 -2.569811 3.949365 
1 1 1   20   11  -42 o   9.4734   3.2411   12.086   9.9195   34.036   12.342 -27.9681   16.672   15.239   3.1202   6.2494   3.0483 8.989967 4.362150 
1 1 1   20   11  -41 o   31.346   1.2970  133.169   10.920  130.333   15.500  135.964   15.387   30.802   1.8826   31.483   1.8275 -0.6807804 2.623723 
1 1 1   20   11  -40 f   29.028   1.3375  114.192   10.428  126.876   14.432  100.337   15.084   30.445   1.7726   26.957   2.0999 3.488268 2.748009 
1 1 1   20   11  -39 o   26.430   1.5251   95.176   10.780  104.856   14.231   82.140   16.514   27.630   1.9297   24.220   2.5782 3.409956 3.220417 
1 1 1   20   11  -38 o   27.538   1.4960  103.220   11.024  108.573   14.250   95.245   17.395   28.133   1.8970   26.133   2.5091 1.999573 3.145476 
1 1 1   20   11  -37 o   17.573   1.9786   42.741   9.1767   52.424   13.063   33.305   12.894   19.301   2.5848   15.106   3.2726 4.194162 4.170214 
1 1 1   20   11  -36 o   10.058   2.9550   14.420   8.5100   7.3572   11.767   22.165   12.322   8.8100   3.4393   12.326   3.5372 -3.515783 4.933593 
1 1 1   20   11  -35 o   15.187   2.4885   32.595   9.7993   15.025   16.352   42.440   12.241   11.132   4.1217   17.302   2.7242 -6.169857 4.940578 
1 1 1   20   11  -34 o   26.480   1.4300   95.270   10.133   88.498   13.750  103.319   14.991   25.367   2.0352   27.416   2.0506 -2.049051 2.889160 
1 1 1   20   11  -33 o   50.636   1.1305  346.144   15.375  359.493   24.317  337.254   19.845   51.412   1.7610   49.888   1.4810 1.523739 2.300976 
1 1 1   20   11  -32 o   33.992   1.2514  156.105   11.425  156.116   14.968  156.089   17.686   33.920   1.6429   33.790   1.9571 0.1293297 2.555277 
1 1 1   20   11  -31 o   21.734   1.5922   64.345   9.2296   71.357   12.952   57.111   13.155   22.768   2.1432   20.262   2.4683 2.506268 3.268931 
1 1 1   20   11  -30 o   27.113   1.3526   99.335   9.8500  106.201   13.611   91.785   14.273   27.907   1.8259   25.877   2.0709 2.029926 2.760918 
1 1 1   20   11  -29 o   38.440   1.0788  199.174   11.138  204.788   15.734  193.536   15.770   38.909   1.5056   37.817   1.5526 1.092651 2.162701 
1 1 1   20   11  -28 o   9.2941   2.8621   11.911   7.8477   19.616   10.659   2.7903   11.597   11.720   3.2647   7.9851   3.3072 3.735152 4.647142 
1 1 1   20   11  -27 o   7.1755   2.8667   3.6929   8.3470   24.634   12.959 -11.1553   10.912   13.087   3.5822   5.8226   2.7358 7.264752 4.507397 
1 1 1   20   11  -26 o   37.078   1.8983  186.966   18.841  184.101   21.713  195.700   37.912   36.710   2.2124   37.236   3.8461 -0.5260162 4.437025 
1 1 1   20   11  -25 o   13.557   2.5174   25.875   8.8296   26.901   11.407   24.342   13.946   13.706   3.1629   13.055   3.7679 0.6504021 4.919460 
1 1 1   20   11  -24 o   19.809   1.6323   53.418   8.6076   59.843   11.994   46.594   12.360   20.873   2.1712   18.296   2.5874 2.576555 3.377701 
1 1 1   20   11  -23 o   50.741   1.0112  346.654   13.782  370.529   19.667  323.620   19.318   52.398   1.3975   48.957   1.4691 3.441582 2.027614 
1 1 1   20   11  -22 o   23.104   0.9736   71.850   6.0418   71.593   6.4865   73.534   16.603   23.059   1.0473   23.041   2.7363 0.1762009E-01 2.929850 
1 1 1   20   11  -21 o   44.544   0.8905  266.947   10.654  271.140   13.971  261.120   16.470   44.864   1.1594   43.998   1.3937 0.8666611 1.812912 
1 1 1   20   11  -20 o   24.785   1.1290   82.727   7.5162   79.481   9.4622   88.276   12.373   24.229   1.4609   25.484   1.8196 -1.255552 2.333457 
1 1 1   20   11  -19 o   32.578   0.9615  142.797   8.4132  143.335   13.011  142.410   11.029   32.596   1.4861   32.511   1.2630 0.8520508E-01 1.950328 
1 1 1   20   11  -18 f   55.379   0.7782  412.336   11.575  403.286   19.828  417.015   14.256   54.704   1.3495   55.676   0.9533 -0.9719810 1.652249 
1 1 1   20   11  -17 o   39.962   0.7880  214.711   8.4582  205.316   12.477  222.699   11.505   39.050   1.1896   40.681   1.0530 -1.630745 1.588656 
1 1 1   20   11  -16 f   25.030   0.9042   84.252   6.0785   94.092   9.4624   77.338   7.9315   26.396   1.3391   23.934   1.2380 2.461010 1.823682 
1 1 1   20   11  -15 o   50.007   0.7845  336.164   10.536  352.543   15.786  323.005   14.149   51.182   1.1483   48.997   1.0752 2.184612 1.573109 
1 1 1   20   11  -14 o   36.523   0.8411  179.334   8.2507  170.444   14.577  183.525   10.008   35.562   1.5261   36.938   1.0088 -1.376434 1.829349 
1 1 1   20   11  -13 o   48.135   1.0046  311.621   12.988  267.276   24.465  329.024   15.327   44.476   2.0480   49.449   1.1540 -4.973743 2.350717 
1 1 1   20   11  -12 o   17.758   1.2279   42.641   5.8208   49.863   9.1179   37.674   7.5622   19.143   1.7943   16.627   1.7181 2.515741 2.484242 
1 1 1   20   11  -11 o   80.177   0.8647  864.180   18.621  882.016   27.910  849.872   24.997   80.951   1.2836   79.477   1.1710 1.473930 1.737504 
1 1 1   20   11  -10 o   83.565   0.8803  938.765   19.757  961.040   29.688  921.055   26.471   84.499   1.3081   82.739   1.1911 1.760674 1.769150 
1 1 1   20   11   -9 o   41.751   0.7331  234.261   8.2215  225.461   11.573  243.228   11.682   40.945   1.0523   42.529   1.0227 -1.584328 1.467391 
1 1 1   20   11   -8 o   64.032   0.7562  551.021   13.005  556.287   18.455  545.826   18.329   64.315   1.0683   63.707   1.0712 0.6078262 1.512846 
1 1 1   20   11   -7 o   20.461   1.0801   56.461   5.9149   57.469   7.7747   55.074   9.1140   20.613   1.4128   20.144   1.7003 0.4689445 2.210670 
1 1 1   20   11   -6 o   51.379   0.7922  354.777   10.932  361.418   14.366  345.638   16.852   51.844   1.0317   50.685   1.2379 1.158588 1.611417 
1 1 1   20   11   -5 o   11.804   1.5955   19.106   4.9287   21.050   7.0319   17.228   6.9101   12.300   2.2097   11.079   2.3922 1.221601 3.256601 
1 1 1   20   11   -4 o   41.342   0.7353  229.673   8.1645  225.608   11.638  233.611   11.457   40.960   1.0579   41.682   1.0233 -0.7219429 1.471832 
1 1 1   20   11   -3 o   45.888   0.7510  282.977   9.2563  291.494   12.818  273.696   13.380   46.561   1.0250   45.113   1.1043 1.448288 1.506666 
1 1 1   20   11   -2 o   19.170   1.1749   49.613   6.0202   51.292   7.8803   47.261   9.3297   19.459   1.5199   18.627   1.8911 0.8317966 2.426118 
1 1 1   20   11   -1 o   23.777   0.9310   75.997   5.9454   82.094   8.6017   70.420   8.2270   24.666   1.3030   22.836   1.3473 1.830481 1.874272 
1 1 1   20   11    0 o   69.472   0.7772  648.608   14.502  653.773   20.619  643.552   20.400   69.724   1.1010   69.177   1.0979 0.5469208 1.554888 
1 1 1   20   11    1 o   35.036   0.7742  164.965   7.2852  172.109   10.484  158.297   10.130   35.775   1.0911   34.309   1.0993 1.465858 1.548898 
1 1 1   20   11    2 o   25.696   0.9288   88.764   6.4105   84.367   9.5023   92.437   8.6844   24.995   1.4213   26.213   1.2335 -1.217625 1.881881 
1 1 1   20   11    3 o   46.552   0.8129  291.255   10.165  313.202   16.676  278.280   12.822   48.247   1.2869   45.492   1.0494 2.754665 1.660477 
1 1 1   20   11    4 o   85.593   0.8924  984.777   20.515  971.778   30.411  995.633   27.791   84.978   1.3324   86.031   1.2027 -1.053123 1.794933 
1 1 1   20   11    5 o   78.425   0.8188  826.643   17.248  839.602   24.578  814.066   24.212   79.007   1.1582   77.796   1.1587 1.210823 1.638335 
1 1 1   20   11    6 o   18.560   1.1304   46.504   5.6085   46.465   7.9930   46.541   7.8715   18.501   1.6250   18.520   1.5981 -0.1846695E-01 2.279134 
1 1 1   20   11    7 o   58.557   0.7856  460.841   12.356  451.062   18.267  469.089   16.777   57.906   1.1745   59.061   1.0576 -1.155193 1.580507 
1 1 1   20   11    8 o   40.538   0.7924  220.862   8.6278  208.616   12.657  231.492   11.792   39.378   1.1967   41.489   1.0582 -2.110992 1.597448 
1 1 1   20   11    9 o   90.764   0.8842  1107.44   21.555  1102.84   30.394  1112.09   30.574   90.530   1.2500   90.909   1.2522 -0.3782806 1.769274 
1 1 1   20   11   10 o   31.002   0.9584  129.233   7.9803  146.009   13.251  119.685   9.9966   32.925   1.4984   29.823   1.2480 3.102032 1.950051 
1 1 1   20   11   11 o   41.269   0.8718  228.954   9.6635  233.673   16.029  226.260   12.112   41.655   1.4327   41.013   1.0995 0.6427536 1.805975 
1 1 1   20   11   12 o   58.312   0.9942  457.284   15.572  476.681   24.307  443.781   20.280   59.481   1.5214   57.415   1.3150 2.065796 2.011005 
1 1 1   20   11   13 o   58.698   0.9099  463.266   14.345  458.379   21.566  467.143   19.210   58.342   1.3763   58.915   1.2140 -0.5731468 1.835166 
1 1 1   20   11   14 o   40.662   0.8061  222.262   8.8035  229.874   13.323  216.363   11.729   41.327   1.2003   40.102   1.0889 1.225136 1.620616 
1 1 1   20   11   15 o   39.263   0.8514  207.271   8.9786  212.953   14.389  203.649   11.490   39.763   1.3473   38.903   1.0996 0.8593750 1.739086 
1 1 1   20   11   16 f   21.581   1.1130   62.842   6.4294   56.297   9.3390   68.739   8.8647   20.351   1.7247   22.535   1.4727 -2.183678 2.267942 
1 1 1   20   11   17 o   39.567   0.8735  210.535   9.2834  216.204   14.161  206.262   12.294   40.061   1.3160   39.142   1.1694 0.9190178 1.760507 
1 1 1   20   11   18 f   17.490   1.3299   41.459   6.2007   47.956   8.9891   35.560   8.5645   18.753   1.8070   16.085   2.0274 2.668039 2.715842 
1 1 1   20   11   19 o   10.598   2.1496   15.767   5.9098   12.964   8.4905   18.401   8.2311   9.7213   2.9743   11.396   2.7259 -1.674219 4.034461 
1 1 1   20   11   20 o   69.136   0.8558  642.922   15.892  662.320   23.471  626.499   21.596   70.109   1.2464   68.199   1.1790 1.910263 1.715648 
1 1 1   20   11   21 o   41.931   0.8910  236.550   10.035  236.474   14.019  236.631   14.371   41.888   1.2461   41.899   1.2770 -0.1016235E-01 1.784208 
1 1 1   20   11   22 o   45.913   0.8806  283.619   10.860  292.532   15.297  274.563   15.419   46.589   1.2225   45.128   1.2721 1.460232 1.764305 
1 1 1   20   11   23 o   32.101   0.9180  138.679   7.9147  136.789   10.556  141.106   11.962   31.854   1.2338   32.338   1.3772 -0.4836426 1.849006 
1 1 1   20   11   24 o   21.402   1.2501   61.973   7.1548   66.334   10.010   57.418   10.230   22.077   1.7013   20.499   1.8789 1.578051 2.534684 
1 1 1   20   11   25 o   13.776   1.9122   26.214   6.8844   19.679   8.7167   37.049   11.224   11.751   2.8013   16.254   2.6631 -4.503190 3.865143 
1 1 1   20   11   26 o   21.123   1.2961   60.423   7.3178   71.565   10.232   48.759   10.469   22.935   1.6726   18.825   2.1067 4.110159 2.689961 
1 1 1   20   11   27 o   76.621   0.9217  790.362   18.968  777.824   26.058  804.493   27.664   75.924   1.2778   77.198   1.3342 -1.274178 1.847400 
1 1 1   20   11   28 o   55.354   0.8656  412.430   12.870  414.903   17.582  409.577   18.889   55.466   1.1802   55.089   1.2766 0.3768806 1.738555 
1 1 1   20   11   29 o   51.528   0.8593  357.417   11.893  345.633   15.298  375.418   18.908   50.629   1.1250   52.722   1.3352 -2.093021 1.745969 
1 1 1   20   11   30 o   28.775   1.0058  111.575   7.7736  117.645   10.148  102.954   12.094   29.516   1.2800   27.515   1.6439 2.001141 2.083507 
1 1 1   20   11   31 o   5.7889   2.4361   0.6982   6.4428  -2.0772   7.7174   7.0814   11.704   5.7693   2.5459   8.7940   3.4309 -3.024630 4.272320 
1 1 1   20   11   32 o   13.322   1.9584   24.676   6.7983   24.474   8.2680   25.097   11.945   13.155   2.4294   13.141   3.3686 0.1426792E-01 4.153235 
1 1 1   20   11   33 o   26.752   1.1395   96.623   8.1876  102.208   10.107   85.961   13.965   27.482   1.3692   24.991   2.1000 2.490625 2.506938 
1 1 1   20   11   34 o   6.4892   2.5742   3.2777   6.6861   5.8912   8.6659  -0.5662   10.510   7.7367   2.9702   7.0311   3.0387 0.7056117 4.249237 
1 1 1   20   11   35 o   41.314   0.9068  230.072   10.063  219.034   13.003  246.553   15.889   40.254   1.2026   42.663   1.3866 -2.408409 1.835507 
1 1 1   20   11   36 o   43.765   0.9377  258.277   11.023  260.082   15.141  256.243   16.078   43.839   1.2859   43.490   1.3764 0.3488770 1.883630 
1 1 1   20   11   37 o   25.358   1.1905   86.933   8.1082   86.209   10.396   88.058   12.955   25.149   1.5466   25.318   1.9193 -0.1695824 2.464923 
1 1 1   20   11   38 o   61.192   0.9644  505.090   15.850  505.191   20.502  504.940   24.990   61.107   1.2491   60.981   1.5257 0.1255989 1.971830 
1 1 1   20   11   39 o   66.213   0.9796  591.519   17.421  578.139   23.624  607.468   25.793   65.325   1.3464   66.922   1.4349 -1.596809 1.967727 
1 1 1   20   11   40 f   33.017   1.0888  147.279   9.6553  148.953   13.496  145.525   13.819   33.111   1.5176   32.713   1.5727 0.3971863 2.185532 
1 1 1   20   11   41 o   57.740   0.9699  450.031   15.042  437.468   23.294  459.017   19.701   56.714   1.5292   58.212   1.2600 -1.497814 1.981430 
1 1 1   20   11   42 o   16.674   1.8745   38.569   8.2496   41.753   10.494   33.420   13.347   17.214   2.3295   15.002   3.3921 2.212848 4.114969 
1 1 1   20   11   43 o   12.572   2.2543   22.549   7.3324   22.475   8.6483   22.738   13.829   12.426   2.6708   12.329   3.7998 0.9642887E-01 4.644491 
1 1 1   20   11   44 o   12.210   3.5809   22.587   12.507   11.183   14.151   63.270   26.730   9.8263   3.7896   19.507   5.0590 -9.680346 6.320947 
1 1 1   20   11   45 o   15.305   4.4881   38.286   19.647   38.286   19.647   0.0000   0.0000   15.305   4.4881  ?   ?  0.000000 4.488107 
1 1 1   20   11   46 o   15.796   3.1413   37.778   12.859   33.289   18.306   42.149   18.066   14.211   4.3706   16.089   4.1525 -1.877776 6.028708 
1 1 1   20   11   47 o   21.131   2.3876   64.472   13.313   65.183   19.073   63.796   18.592   20.391   3.6149   20.216   3.5538 0.1750965 5.069210 
1 1 1   20   11   48 o   22.522   2.2721   73.186   13.556   66.820   20.342   78.273   18.182   20.257   3.8799   22.691   3.0615 -2.433720 4.942318 
1 1 1   20   12  -45 o   22.794   4.5295   86.280   26.753   0.0000   0.0000   86.280   26.753  ?   ?    22.794   4.5295 0.000000 4.529485 
1 1 1   20   12  -44 o   18.580   3.8317   53.997   18.487   0.0000   0.0000   53.997   18.487  ?   ?    18.580   3.8317 0.000000 3.831745 
1 1 1   20   12  -43 o   20.874   3.5148   65.635   19.006   0.0000   0.0000   65.635   19.006  ?   ?    20.874   3.5148 0.000000 3.514775 
1 1 1   20   12  -42 o   24.660   1.9506   84.371   12.814   77.836   18.944   89.884   17.399   23.110   3.1327   25.146   2.6143 -2.036238 4.080253 
1 1 1   20   12  -41 o   17.753   2.3233   44.434   10.812   37.299   13.778   55.873   17.445   15.856   3.3405   19.435   3.4691 -3.578813 4.815986 
1 1 1   20   12  -40 o   35.147   1.2183  167.325   11.501  155.622   16.008  179.808   16.534   33.691   1.7752   36.290   1.6962 -2.599014 2.455340 
1 1 1   20   12  -39 o   10.591   2.9879   16.241   8.8688   6.5358   12.272   26.850   12.831   8.7301   3.4798   13.454   3.5128 -4.724146 4.944613 
1 1 1   20   12  -38 o   27.121   1.4896  100.187   10.810  111.339   14.218   84.910   16.640   28.483   1.8689   24.620   2.5536 3.862827 3.164395 
1 1 1   20   12  -37 o   17.887   2.1778   44.575   10.247   51.489   13.102   33.684   16.444   19.098   2.6234   14.983   4.0080 4.115314 4.790247 
1 1 1   20   12  -36 o   20.172   1.7597   55.880   9.4388   34.795   13.258   77.551   13.441   15.424   3.3000   23.676   2.1366 -8.251396 3.931306 
1 1 1   20   12  -35 o   26.205   1.6360   93.769   11.458  100.857   20.356   90.482   13.862   26.736   2.8802   25.626   2.0306 1.109957 3.524035 
1 1 1   20   12  -34 f   15.080   2.2936   31.957   8.9973   29.442   12.957   34.299   12.503   14.146   3.4427   15.376   3.1338 -1.229985 4.655417 
1 1 1   20   12  -33 o   19.513   1.9622   52.531   10.145   65.320   16.107   44.122   13.061   21.487   2.8621   17.597   2.8617 3.889471 4.047333 
1 1 1   20   12  -32 o   32.679   1.3856  144.624   12.161  138.082   14.983  157.254   20.819   31.803   1.7610   33.752   2.3105 -1.949245 2.905041 
1 1 1   20   12  -31 o   6.8165   2.8433   1.6797   8.6598  -4.6516   11.146   11.321   13.755   6.6483   2.9882   10.031   3.7671 -3.383232 4.808392 
1 1 1   20   12  -30 o   13.436   2.4294   25.512   8.4444   23.312   11.576   28.016   12.346   12.674   3.3499   13.879   3.3501 -1.205215 4.737562 
1 1 1   20   12  -29 o   39.903   1.5644  215.742   16.766  222.098   22.732  208.159   24.830   40.288   2.1080   38.898   2.3882 1.390640 3.185427 
1 1 1   20   12  -28 o   10.082   2.9324   14.357   8.4176   24.385   12.483   5.9940   11.399   12.980   3.5004   8.5094   3.3658 4.470138 4.856097 
1 1 1   20   12  -27 o   35.494   1.1736  169.952   11.189  175.671   15.250  163.286   16.466   36.021   1.5763   34.646   1.7754 1.374557 2.374182 
1 1 1   20   12  -26 o   22.047   1.5209   66.057   8.9512   62.973   12.862   68.955   12.465   21.366   2.2763   22.412   2.0951 -1.045502 3.093667 
1 1 1   20   12  -25 o   39.822   1.2366  213.950   13.226  235.255   23.105  203.565   16.131   41.587   2.0685   38.793   1.5481 2.793343 2.583681 
1 1 1   20   12  -24 o   21.295   1.6396   61.733   9.3060   48.663   12.214   79.820   14.368   18.712   2.4922   24.103   2.2452 -5.391716 3.354424 
1 1 1   20   12  -23 o   59.696   1.0365  480.037   16.619  475.082   19.120  495.344   33.609   59.357   1.1993   60.367   2.0728 -1.010136 2.394749 
1 1 1   20   12  -22 o   39.354   0.9281  208.479   9.8101  204.058   12.536  215.465   15.758   38.904   1.1997   39.937   1.4690 -1.033485 1.896646 
1 1 1   20   12  -21 o   20.582   1.2472   57.333   6.8620   59.391   8.6900   53.924   11.184   20.906   1.5588   19.809   2.1359 1.097054 2.644227 
1 1 1   20   12  -20 o   15.658   1.4138   33.359   5.8816   45.003   7.8944   18.832   8.8178   18.172   1.6349   11.500   2.8652 6.671852 3.298813 
1 1 1   20   12  -19 o   68.685   0.7859  634.511   14.498  627.678   22.743  639.188   18.818   68.238   1.2409   68.903   1.0168 -0.6650238 1.604246 
1 1 1   20   12  -18 o   28.368   0.9043  108.279   6.8899  108.632   10.148  107.977   9.3842   28.383   1.3312   28.305   1.2343 0.7748795E-01 1.815409 
1 1 1   20   12  -17 o   54.230   0.7759  395.476   11.302  404.657   18.679  390.174   14.195   54.795   1.2692   53.844   0.9815 0.9510727 1.604429 
1 1 1   20   12  -16 o   62.411   0.8807  523.955   14.764  535.089   25.230  518.157   18.206   62.975   1.4916   62.038   1.0926 0.9372978 1.848978 
1 1 1   20   12  -15 o   45.306   0.9265  276.138   11.274  262.031   22.919  280.641   12.950   44.006   1.9391   45.663   1.0558 -1.656170 2.207884 
1 1 1   20   12  -14 o   38.144   0.8694  195.681   8.9075  195.500   14.965  195.780   11.085   38.077   1.4633   38.139   1.0821 -0.6238556E-01 1.819947 
1 1 1   20   12  -13 o   46.597   0.7682  291.912   9.6146  286.542   12.775  298.927   14.601   46.147   1.0307   47.122   1.1537 -0.9752693 1.547012 
1 1 1   20   12  -12 o   78.016   0.9608  818.693   20.132  789.790   35.127  832.832   24.568   76.494   1.7097   78.657   1.1629 -2.163445 2.067700 
1 1 1   20   12  -11 o   28.795   0.8604  111.486   6.6543  118.935   9.5271  104.392   9.2982   29.724   1.1933   27.845   1.2433 1.879292 1.723292 
1 1 1   20   12  -10 o   42.846   0.7449  246.755   8.5725  243.586   12.052  249.999   12.196   42.551   1.0546   43.107   1.0533 -0.5565262 1.490499 
1 1 1   20   12   -9 o   34.308   0.7703  158.216   7.0980  151.389   9.8943  165.455   10.188   33.544   1.0982   35.068   1.0817 -1.524632 1.541450 
1 1 1   20   12   -8 f   40.827   0.7889  224.061   8.6507  241.408   13.267  211.230   11.410   42.355   1.1662   39.625   1.0721 2.729473 1.584088 
1 1 1   20   12   -7 o   29.923   0.8237  120.370   6.6203  117.802   9.3877  122.911   9.3375   29.587   1.1813   30.223   1.1503 -0.6364288 1.648824 
1 1 1   20   12   -6 o   65.266   0.7989  572.581   14.004  573.084   18.889  571.968   20.869   65.270   1.0774   65.194   1.1918 0.7578278E-01 1.606626 
1 1 1   20   12   -5 o   65.439   0.8317  575.651   14.618  566.045   18.825  590.239   23.200   64.869   1.0805   66.216   1.3045 -1.346771 1.693841 
1 1 1   20   12   -4 o   11.928   1.9010   19.673   5.8857   25.418   7.4945   10.428   9.5073   13.554   2.1288   9.1854   3.1716 4.368752 3.819795 
1 1 1   20   12   -3 o   47.920   0.7807  308.643   10.048  309.527   13.570  307.571   14.951   47.972   1.0532   47.812   1.1642 0.1598930 1.569917 
1 1 1   20   12   -2 o   19.035   1.0863   48.897   5.5309   44.588   8.0109   52.822   7.6457   18.111   1.6655   19.751   1.4514 -1.639866 2.209152 
1 1 1   20   12   -1 o   45.281   0.7410  275.563   9.0126  274.332   12.901  276.736   12.596   45.162   1.0635   45.361   1.0338 -0.1992912 1.483230 
1 1 1   20   12    0 o   15.044   1.3355   30.706   5.3403   29.203   7.8027   32.030   7.3247   14.564   2.0516   15.303   1.8176 -0.7391415 2.740899 
1 1 1   20   12    1 o   59.981   0.7876  483.565   12.688  473.842   18.824  491.661   17.176   59.343   1.1810   60.460   1.0577 -1.116901 1.585378 
1 1 1   20   12    2 o   29.692   0.8876  118.521   7.0782  127.814   10.916  111.779   9.2980   30.813   1.3189   28.822   1.2011 1.991774 1.783851 
1 1 1   20   12    3 o   63.627   0.7613  544.110   13.011  562.086   18.643  527.042   18.167   64.643   1.0737   62.595   1.0805 2.048180 1.523311 
1 1 1   20   12    4 o   55.538   0.7451  414.557   11.115  418.173   15.891  411.093   15.554   55.758   1.0611   55.285   1.0475 0.4729271 1.490989 
1 1 1   20   12    5 o   24.869   0.9389   83.161   6.2712   83.999   8.9189   82.341   8.8194   24.943   1.3362   24.694   1.3346 0.2481003 1.888543 
1 1 1   20   12    6 o   17.039   1.2254   39.277   5.5705   38.864   7.9241   39.681   7.8326   16.881   1.7742   17.066   1.7328 -0.1841717 2.480001 
1 1 1   20   12    7 o   53.412   0.7486  383.437   10.740  379.435   15.166  387.462   15.211   53.110   1.0632   53.670   1.0552 -0.5595245 1.497910 
1 1 1   20   12    8 f   54.144   0.7910  394.066   11.503  402.962   17.215  386.889   15.461   54.721   1.1713   53.627   1.0734 1.093536 1.588759 
1 1 1   20   12    9 o   57.397   0.7962  442.856   12.275  455.316   18.419  432.901   16.464   58.164   1.1790   56.724   1.0806 1.440002 1.599331 
1 1 1   20   12   10 o   93.822   0.9041  1183.70   22.783  1169.15   31.973  1198.70   32.474   93.183   1.2775   94.353   1.2814 -1.169533 1.809393 
1 1 1   20   12   11 o   28.649   1.0540  110.431   8.1105  107.526   11.189  113.647   11.773   28.206   1.4821   28.996   1.5170 -0.7895336 2.120842 
1 1 1   20   12   12 o   21.260   1.1753   61.030   6.6850   59.470   9.9940   62.293   8.9932   20.909   1.7970   21.434   1.5731 -0.5251045 2.388287 
1 1 1   20   12   13 o   56.946   0.8417  436.064   12.874  430.795   19.970  439.812   16.842   56.549   1.3148   57.165   1.0969 -0.6159554 1.712269 
1 1 1   20   12   14 o   33.095   0.9719  147.359   8.6397  139.668   13.989  152.101   10.985   32.128   1.6265   33.606   1.2170 -1.478958 2.031369 
1 1 1   20   12   15 o   19.995   1.3193   54.114   7.0455   45.508   9.8790   63.021   10.051   18.219   2.0547   21.526   1.7536 -3.307699 2.701322 
1 1 1   20   12   16 o   77.180   0.9221  801.393   19.116  802.086   30.364  800.937   24.603   77.108   1.4661   77.112   1.1879 -0.4455566E-02 1.886943 
1 1 1   20   12   17 o   9.1317   2.4167   11.746   6.0200  -0.7892   8.5303   24.184   8.4968   6.3513   2.7413   13.118   2.5029 -6.766731 3.711994 
1 1 1   20   12   18 o   69.128   0.8255  642.777   15.327  640.411   23.204  644.608   20.415   68.930   1.2533   69.185   1.0986 -0.2545700 1.666663 
1 1 1   20   12   19 o   16.690   1.4729   37.892   6.5350   32.373   9.4696   42.910   9.0297   15.245   2.3914   17.693   1.9315 -2.448185 3.073975 
1 1 1   20   12   20 o   19.385   1.3996   50.974   7.2381   48.005   9.9282   54.341   10.575   18.707   2.0073   19.917   2.0040 -1.209749 2.836379 
1 1 1   20   12   21 o   30.656   1.0346  126.569   8.5186  118.705   12.957  132.556   11.305   29.582   1.6371   31.343   1.3429 -1.761068 2.117477 
1 1 1   20   12   22 o   39.281   0.9910  207.773   10.456  211.633   16.458  205.161   13.539   39.568   1.5487   38.997   1.2926 0.5711212 2.017243 
1 1 1   20   12   23 o   45.988   0.9697  284.770   11.978  269.090   16.092  304.249   17.935   44.649   1.3419   47.465   1.4068 -2.815456 1.944151 
1 1 1   20   12   24 o   22.919   1.1431   70.810   7.0369   75.510   9.1402   63.970   11.026   23.596   1.4492   21.627   1.9181 1.969164 2.404017 
1 1 1   20   12   25 o   50.085   0.8017  337.533   10.784  349.909   14.979  324.216   15.538   50.952   1.0946   49.032   1.1799 1.920624 1.609413 
1 1 1   20   12   26 o   23.764   1.0713   76.113   6.8378   72.915   9.1290   80.199   10.321   23.176   1.4742   24.290   1.5907 -1.113848 2.168759 
1 1 1   20   12   27 o   66.260   0.8755  591.102   15.582  590.994   21.734  591.217   22.352   66.175   1.2228   66.178   1.2575 -0.3173828E-02 1.753986 
1 1 1   20   12   28 o   34.051   0.9518  156.201   8.7048  150.448   11.087  165.447   14.056   33.382   1.2365   34.964   1.4967 -1.581757 1.941415 
1 1 1   20   12   29 o   19.146   1.3931   49.836   7.1149   54.192   8.7737   41.469   12.160   19.922   1.6546   17.145   2.7322 2.776777 3.194201 
1 1 1   20   12   30 o   34.804   0.9468  163.243   8.8511  169.028   11.292  154.027   14.254   35.380   1.1883   33.704   1.5745 1.675999 1.972600 
1 1 1   20   12   31 o   31.183   0.9609  131.089   8.0476  134.747   10.695  126.313   12.219   31.572   1.2612   30.528   1.4902 1.043657 1.952265 
1 1 1   20   12   32 o   37.940   0.8782  193.965   8.9491  197.295   12.105  189.952   13.290   38.212   1.1794   37.466   1.3207 0.7467117 1.770663 
1 1 1   20   12   33 o   35.760   0.9646  172.466   9.2647  166.776   12.798  178.732   13.430   35.092   1.3578   36.323   1.3765 -1.231739 1.933522 
1 1 1   20   12   34 f   28.264   1.0424  107.835   7.9132  113.621   10.429   99.984   12.148   28.964   1.3406   27.055   1.6801 1.908918 2.149432 
1 1 1   20   12   35 o   19.900   1.3391   53.883   7.1159   54.946   9.1842   52.286   11.256   20.012   1.7255   19.390   2.2002 0.6224918 2.796133 
1 1 1   20   12   36 o   37.183   0.9404  186.488   9.3921  181.304   12.537  193.119   14.178   36.596   1.2755   37.739   1.3987 -1.143215 1.892979 
1 1 1   20   12   37 o   27.078   1.0904   99.047   7.9305  104.013   10.410   92.181   12.242   27.660   1.4059   25.941   1.7675 1.718370 2.258442 
1 1 1   20   12   38 o   9.5025   2.7907   12.863   7.5911   7.6780   10.683   18.151   10.789   8.6071   3.2994   11.205   3.3363 -2.597821 4.692217 
1 1 1   20   12   39 o   44.421   0.9624  266.312   11.482  269.861   16.788  263.191   15.740   44.592   1.4017   44.061   1.3300 0.5315895 1.932246 
1 1 1   20   12   40 o   11.335   2.4276   18.474   7.1682   16.639   8.7653   22.178   12.456   10.692   2.9541   12.248   3.5683 -1.556231 4.632487 
1 1 1   20   12   41 o   15.472   1.7866   33.209   7.2882   38.955   8.7505   20.196   13.169   16.714   1.9883   11.738   3.7218 4.976199 4.219624 
1 1 1   20   12   42 o   11.726   3.0969   20.438   9.8988   16.814   11.897   28.593   17.846   10.794   3.5473   13.614   4.3343 -2.819233 5.600864 
1 1 1   20   12   43 o   17.398   3.4181   45.690   15.403   26.871   19.043   81.300   26.195   13.173   4.4907   22.571   4.4790 -9.398424 6.342550 
1 1 1   20   12   44 o   19.774   3.1558   58.367   16.197   76.200   22.703   39.880   23.115   22.044   3.9811   15.335   4.9383 6.708740 6.343144 
1 1 1   20   12   45 o   9.9889   3.6863   13.751   13.059   31.708   20.097   0.6271   17.180   13.765   4.6137   8.6487   3.8085 5.116286 5.982527 
1 1 1   20   12   46 o   18.635   2.7641   51.637   13.415   45.689   19.929   56.566   18.141   16.314   4.4328   18.828   3.7192 -2.514191 5.786372 
1 1 1   20   12   47 o   9.7074   3.5366   13.767   11.963   10.904   17.740   16.155   16.201   9.8703   4.0894   10.532   4.0566 -0.6615658 5.760158 
1 1 1   20   13  -44 o   9.7339   4.4322  -3.0110   25.490   0.0000   0.0000  -3.0110   25.490  ?   ?    9.7339   4.4322 0.000000 4.432174 
1 1 1   20   13  -43 o   8.3811   3.7742  -3.4623   17.879   0.0000   0.0000  -3.4623   17.879  ?   ?    8.3811   3.7742 0.000000 3.774183 
1 1 1   20   13  -42 o   20.404   3.6835   63.825   19.444   0.0000   0.0000   63.825   19.444  ?   ?    20.404   3.6835 0.000000 3.683501 
1 1 1   20   13  -41 o   21.465   2.1936   64.763   12.469   57.156   17.408   72.778   17.868   19.537   3.4431   22.322   3.0608 -2.785389 4.606878 
1 1 1   20   13  -40 o   5.0817   2.4378 -12.8640   9.5996 -10.8548   11.632 -17.1540   16.998   6.0115   2.8246   7.0658   3.3485 -1.054271 4.380762 
1 1 1   20   13  -39 o   19.920   2.0676   55.234   10.901   68.915   13.748   32.063   17.891   22.168   2.3445   14.451   4.2949 7.716907 4.893178 
1 1 1   20   13  -38 o   26.656   1.4570   96.862   10.392  108.538   14.541   84.674   14.857   28.065   1.9409   24.654   2.2691 3.410976 2.985950 
1 1 1   20   13  -37 o   32.041   1.2625  139.061   10.865  145.583   15.149  132.153   15.592   32.617   1.7355   31.021   1.8802 1.595621 2.558738 
1 1 1   20   13  -36 o   15.819   2.3108   35.200   9.5290   37.055   12.432   32.558   14.836   16.011   3.0013   14.767   3.7373 1.244092 4.793210 
1 1 1   20   13  -35 o   26.494   1.5741   95.790   11.151  112.624   14.340   70.040   17.735   28.644   1.8742   22.131   3.0660 6.513033 3.593451 
1 1 1   20   13  -34 o   25.555   1.7312   89.431   11.813   80.546   21.088   93.494   14.260   23.594   3.4280   26.030   2.0563 -2.436636 3.997479 
1 1 1   20   13  -33 o   15.957   2.2196   35.656   9.2555   43.111   13.088   28.198   13.090   17.346   2.9125   13.810   3.5189 3.535453 4.567905 
1 1 1   20   13  -32 o   21.856   2.6006   67.100   14.967   10.800   31.158   83.986   17.064   12.724   5.3559   24.468   2.6383 -11.74430 5.970444 
1 1 1   20   13  -31 o   9.4245   3.4713   10.496   11.571  -2.5747   16.651   22.700   16.090   8.5136   3.7492   12.605   4.1246 -4.091387 5.573907 
1 1 1   20   13  -30 o   14.418   2.6194   29.591   9.7701   24.600   12.312   38.080   16.057   12.959   3.4686   16.032   3.7888 -3.073355 5.136750 
1 1 1   20   13  -29 o   17.077   1.9419   40.280   8.7487   44.710   12.329   35.788   12.416   17.802   2.6601   15.777   3.0403 2.025890 4.039781 
1 1 1   20   13  -28 o   12.847   2.7481   23.649   9.1958   21.292   11.888   27.159   14.509   12.138   3.4717   13.619   3.8146 -1.480927 5.157870 
1 1 1   20   13  -27 o   34.997   1.1441  165.301   10.754  160.533   15.337  169.913   15.085   34.395   1.6601   35.402   1.5864 -1.006496 2.296242 
1 1 1   20   13  -26 f   53.705   1.0146  388.766   14.636  385.312   20.729  392.199   20.667   53.364   1.4462   53.844   1.4291 -0.4795036 2.033194 
1 1 1   20   13  -25 o   12.955   2.4224   23.694   8.1187   18.307   11.457   29.128   11.507   11.382   3.4491   14.236   3.0973 -2.854041 4.635729 
1 1 1   20   13  -24 o   10.422   2.3398   15.420   6.3894   21.771   7.7288   1.7081   11.356   12.414   2.4049   7.7156   3.2399 4.697952 4.034895 
1 1 1   20   13  -23 o   40.689   0.8640  222.860   9.4429  216.272   13.101  229.983   13.623   40.036   1.2183   41.284   1.2285 -1.247982 1.730204 
1 1 1   20   13  -22 o   16.248   1.4812   35.983   6.3934   38.089   8.1592   32.634   10.290   16.654   1.8556   15.229   2.6096 1.424398 3.202101 
1 1 1   20   13  -21 o   34.150   1.0164  157.097   9.3226  157.607   11.557  156.147   15.774   34.177   1.2590   33.903   1.7381 0.2737503 2.146144 
1 1 1   20   13  -20 o   55.299   0.9138  411.667   13.572  415.612   17.813  406.207   20.956   55.516   1.1946   54.837   1.4228 0.6789246 1.857790 
1 1 1   20   13  -19 o   26.571   0.9183   95.041   6.5538   96.087   10.042   94.265   8.6501   26.638   1.4085   26.439   1.2181 0.1990738 1.862185 
1 1 1   20   13  -18 o   41.288   0.8191  229.353   9.0840  227.411   13.446  230.983   12.321   41.068   1.2190   41.403   1.1080 -0.3357658 1.647262 
1 1 1   20   13  -17 o   27.879   0.9329  104.619   6.9857   98.117   9.9403  110.964   9.8195   26.928   1.3790   28.684   1.2746 -1.756002 1.877811 
1 1 1   20   13  -16 o   46.003   0.8518  284.727   10.525  313.461   17.670  268.925   13.103   48.199   1.3649   44.682   1.0918 3.517349 1.747858 
1 1 1   20   13  -15 o   29.752   0.8403  119.078   6.7152  132.570   9.2388  103.968   9.7775   31.373   1.0964   27.766   1.3111 3.607080 1.709084 
1 1 1   20   13  -14 o   36.580   0.7708  179.953   7.5735  178.648   10.488  181.376   10.948   36.424   1.0720   36.697   1.1107 -0.2734070 1.543695 
1 1 1   20   13  -13 o   30.210   0.9538  122.819   7.7396  126.170   12.755  120.866   9.7372   30.528   1.5607   29.951   1.2104 0.5776253 1.975099 
1 1 1   20   13  -12 o   26.381   0.9397   93.641   6.6581  104.668   9.6008   83.424   9.2415   27.868   1.2827   24.833   1.3911 3.034462 1.892217 
1 1 1   20   13  -11 f   58.256   0.9048  456.542   14.157  467.366   22.681  449.633   18.119   58.866   1.4345   57.780   1.1675 1.085739 1.849590 
1 1 1   20   13  -10 o   50.931   1.0009  349.069   13.692  339.772   25.229  352.951   16.302   50.122   1.8740   51.193   1.1856 -1.071018 2.217567 
1 1 1   20   13   -9 o   35.096   0.8024  165.623   7.5634  156.692   10.920  173.856   10.486   34.111   1.1919   35.939   1.0863 -1.828114 1.612665 
1 1 1   20   13   -8 o   46.631   0.7402  292.326   9.2709  297.062   13.134  287.622   13.088   46.984   1.0408   46.230   1.0541 0.7538071 1.481297 
1 1 1   20   13   -7 o   38.334   0.7635  197.557   7.8608  203.458   11.146  191.717   11.088   38.882   1.0673   37.742   1.0938 1.140541 1.528231 
1 1 1   20   13   -6 o   23.737   0.9847   75.802   6.2780   70.482   8.5199   82.122   9.2865   22.827   1.3963   24.645   1.4088 -1.817940 1.983535 
1 1 1   20   13   -5 o   64.022   0.8502  551.154   14.619  538.271   18.491  572.634   23.876   63.244   1.0885   65.192   1.3636 -1.948803 1.744779 
1 1 1   20   13   -4 o   24.504   1.0136   80.784   6.6713   88.294   8.8394   70.845   10.169   25.572   1.2912   22.853   1.6682 2.718866 2.109532 
1 1 1   20   13   -3 o   46.783   0.7742  294.230   9.7278  296.148   13.427  292.111   14.113   46.914   1.0656   46.588   1.1278 0.3263435 1.551623 
1 1 1   20   13   -2 f   53.538   0.7471  385.296   10.743  374.144   15.118  396.674   15.270   52.731   1.0674   54.298   1.0471 -1.566463 1.495209 
1 1 1   20   13   -1 o   26.737   0.9296   96.147   6.6758   97.997   9.9947   94.657   8.9702   26.934   1.3863   26.513   1.2596 0.4207020 1.873090 
1 1 1   20   13    0 o   25.870   1.0066   90.032   6.9946   89.062   11.803   90.557   8.6838   25.631   1.7245   25.934   1.2467 -0.3025856 2.127922 
1 1 1   20   13    1 o   55.398   0.7816  412.578   11.629  394.210   17.326  427.639   15.688   54.114   1.1920   56.379   1.0360 -2.264286 1.579345 
1 1 1   20   13    2 f   10.103   1.9827   14.272   5.1881   12.233   7.5434   16.101   7.1469   9.4129   2.7868   10.681   2.5302 -1.267697 3.764067 
1 1 1   20   13    3 o   78.264   0.8238  823.546   17.318  806.645   24.371  840.784   24.613   77.410   1.1722   79.034   1.1595 -1.623108 1.648724 
1 1 1   20   13    4 o   67.822   0.7829  618.390   14.261  606.014   20.098  630.943   20.241   67.103   1.1151   68.471   1.1006 -1.368134 1.566749 
1 1 1   20   13    5 o   34.422   0.8074  159.308   7.4652  162.589   10.696  156.192   10.424   34.755   1.1459   34.064   1.1393 0.6901398 1.615846 
1 1 1   20   13    6 o   33.982   0.8182  155.264   7.4680  159.874   10.738  150.946   10.393   34.461   1.1601   33.486   1.1556 0.9757957 1.637431 
1 1 1   20   13    7 o   25.620   0.9219   88.289   6.3438   80.120   8.8102   97.086   9.1421   24.347   1.3526   26.848   1.2678 -2.500702 1.853856 
1 1 1   20   13    8 o   20.446   1.1609   56.467   6.3492   66.221   9.3051   47.969   8.6853   22.098   1.5781   18.766   1.7430 3.332199 2.351296 
1 1 1   20   13    9 o   26.746   1.0643   96.281   7.6456  102.073   10.375   89.398   11.311   27.480   1.4104   25.681   1.6485 1.799528 2.169527 
1 1 1   20   13   10 o   57.365   0.8475  442.578   13.058  458.876   18.531  426.504   18.403   58.372   1.1820   56.271   1.2177 2.101437 1.696967 
1 1 1   20   13   11 f   24.925   0.9771   83.596   6.5411   81.190   9.0213   86.263   9.4983   24.501   1.3764   25.253   1.4059 -0.7523308 1.967520 
1 1 1   20   13   12 o   37.304   0.8590  187.184   8.6072  186.661   12.728  187.624   11.683   37.216   1.2733   37.323   1.1655 -0.1063957 1.726193 
1 1 1   20   13   13 o   26.612   1.0315   95.334   7.3726  107.511   11.153   85.884   9.8255   28.186   1.4784   25.187   1.4587 2.999788 2.076847 
1 1 1   20   13   14 o   32.953   1.1632  146.292   10.295  148.886   18.116  145.055   12.512   33.072   2.0496   32.788   1.4208 0.2846680 2.493862 
1 1 1   20   13   15 o   47.773   0.8174  306.998   10.488  285.509   15.052  327.280   14.623   46.025   1.2176   49.293   1.1045 -3.267696 1.643882 
1 1 1   20   13   16 o   32.728   1.0705  144.266   9.4105  142.917   13.165  145.676   13.457   32.529   1.5068   32.839   1.5257 -0.3101616 2.144336 
1 1 1   20   13   17 o   66.623   0.9944  597.631   17.793  595.675   35.318  598.297   20.599   66.258   1.9846   66.631   1.1510 -0.3721924 2.294180 
1 1 1   20   13   18 o   61.778   0.9208  513.731   15.278  535.276   22.639  495.711   20.704   62.980   1.3384   60.622   1.2715 2.357944 1.846079 
1 1 1   20   13   19 o   31.135   1.0091  130.558   8.4390  131.857   12.393  129.435   11.523   31.239   1.4771   30.962   1.3857 0.2769337 2.025278 
1 1 1   20   13   20 o   30.464   0.9929  124.992   8.1245  128.327   11.497  121.666   11.482   30.826   1.3886   30.011   1.4245 0.8149242 1.989316 
1 1 1   20   13   21 o   55.524   0.8463  414.900   12.621  415.800   18.159  414.059   17.553   55.521   1.2177   55.412   1.1794 0.1087990 1.695210 
1 1 1   20   13   22 o   16.224   1.7344   36.071   7.4411   34.936   9.3655   38.013   12.254   15.853   2.2638   16.392   2.8888 -0.5388880 3.670183 
1 1 1   20   13   23 o   17.091   1.4723   39.781   6.6924   39.798   9.4969   39.764   9.4323   16.966   2.1311   16.962   2.1164 0.4142761E-02 3.003441 
1 1 1   20   13   24 o   12.902   1.9842   23.149   6.6558   24.475   9.1863   21.685   9.6566   13.116   2.6976   12.293   2.9600 0.8230410 4.004865 
1 1 1   20   13   25 o   7.6144   2.5584   7.5028   6.1798   12.748   7.8545  -1.0194   10.012   9.5432   2.8479   6.8180   2.9562 2.725228 4.104831 
1 1 1   20   13   26 f   17.586   1.6162   42.264   7.5485   47.388   8.9212   29.351   14.163   18.591   1.8095   14.181   3.6849 4.410427 4.105207 
1 1 1   20   13   27 o   37.449   0.9549  188.988   9.6048  188.575   11.842  189.783   16.419   37.374   1.1797   37.404   1.6344 -0.2962494E-01 2.015664 
1 1 1   20   13   28 o   5.6458   2.3730   0.7286   6.1018   2.2725   7.6026  -2.0663   10.229   6.5780   2.6961   6.7087   2.9468 -0.1307101 3.994051 
1 1 1   20   13   29 o   20.958   1.2880   59.625   7.2153   61.645   9.1923   56.383   11.646   21.246   1.6231   20.176   2.1839 1.070400 2.721012 
1 1 1   20   13   30 o   35.911   0.9285  173.856   8.9553  176.142   11.617  170.508   14.059   36.099   1.1981   35.458   1.4762 0.6410675 1.901208 
1 1 1   20   13   31 o   15.190   1.6739   31.760   6.7159   34.819   8.5250   26.756   10.904   15.821   2.0547   13.568   3.0644 2.253077 3.689487 
1 1 1   20   13   32 o   41.196   1.0046  229.043   11.116  223.665   14.114  237.830   18.041   40.644   1.2929   41.820   1.6061 -1.175312 2.061832 
1 1 1   20   13   33 o   35.483   0.9590  169.867   9.1395  180.411   11.853  154.407   14.353   36.519   1.2084   33.696   1.5859 2.822430 1.993813 
1 1 1   20   13   34 o   13.845   1.8965   26.672   6.8673   33.417   8.6235   14.980   11.354   15.461   2.1334   10.424   3.4674 5.036743 4.071129 
1 1 1   20   13   35 o   27.366   1.1675  101.281   8.5816  114.975   10.866   78.575   13.991   29.116   1.3894   23.796   2.2145 5.319769 2.614238 
1 1 1   20   13   36 o   14.453   1.9801   29.121   7.4845   24.808   9.5739   35.901   12.002   13.095   2.8063   15.774   2.9411 -2.679037 4.065123 
1 1 1   20   13   37 o   37.659   0.9789  191.442   9.9015  201.182   12.791  176.877   15.641   38.546   1.2354   36.038   1.6159 2.507858 2.034065 
1 1 1   20   13   38 o   34.628   1.0076  161.966   9.3717  168.510   11.920  151.373   15.166   35.263   1.2585   33.257   1.7036 2.006660 2.118055 
1 1 1   20   13   39 o   20.216   1.4094   55.820   7.6047   47.869   9.5789   69.376   12.507   18.568   1.9499   22.331   2.1102 -3.763889 2.873116 
1 1 1   20   13   40 o   10.550   2.6127   16.235   7.3649   14.921   8.0484   22.997   18.262   10.111   2.8442   12.573   4.3926 -2.461411 5.232990 
1 1 1   20   13   41 o   34.077   1.8885  160.709   17.217  157.270   23.278  164.863   25.583   33.256   2.6274   33.901   2.8357 -0.6447411 3.865788 
1 1 1   20   13   42 o   12.978   3.4221   25.829   12.099   17.464   17.804   33.008   16.493   11.330   4.2792   14.402   4.0786 -3.072685 5.911559 
1 1 1   20   13   43 o   16.928   2.9180   42.612   12.788   50.374   19.675   36.934   16.828   17.586   4.2194   15.108   4.0599 2.477677 5.855444 
1 1 1   20   13   44 o   11.628   4.2365   20.785   17.167   11.480   24.246   30.140   24.311   10.960   4.6738   13.394   5.0124 -2.433989 6.853348 
1 1 1   20   13   45 o   7.4784   3.2759   0.5117   12.566   2.0806   20.169  -0.4836   16.065   9.2204   4.0899   8.1586   3.6328 1.061802 5.470314 
1 1 1   20   13   46 o   8.9060   3.8233   5.7235   16.422   0.0000   0.0000   5.7235   16.422  ?   ?    8.9060   3.8233 0.000000 3.823258 
1 1 1   20   14  -43 o   15.381   5.0920   43.560   24.496   0.0000   0.0000   43.560   24.496  ?   ?    15.381   5.0920 0.000000 5.091959 
1 1 1   20   14  -42 o   18.028   4.0863   52.871   19.330   0.0000   0.0000   52.871   19.330  ?   ?    18.028   4.0863 0.000000 4.086335 
1 1 1   20   14  -41 o   8.8004   3.8147   2.2117   16.662   0.0000   0.0000   2.2117   16.662  ?   ?    8.8004   3.8147 0.000000 3.814677 
1 1 1   20   14  -40 o   23.046   2.7272   76.640   16.554  125.900   46.597   69.525   17.709   25.664   6.6911   21.707   3.1277 3.956696 7.386034 
1 1 1   20   14  -39 o   30.783   1.7289  130.482   14.237  110.627   19.340  153.970   21.035   27.896   2.6116   33.091   2.3827 -5.194675 3.535216 
1 1 1   20   14  -38 o   19.835   2.0317   54.819   10.672   51.694   13.518   59.986   17.385   18.986   2.7293   20.192   3.3210 -1.205975 4.298630 
1 1 1   20   14  -37 o   41.690   1.1516  235.325   12.895  230.540   18.154  240.197   18.320   41.091   1.6449   41.951   1.6259 -0.8597031 2.312820 
1 1 1   20   14  -36 o   16.839   2.0948   39.594   9.2695   35.047   12.981   44.325   13.241   15.442   3.2334   17.543   2.9122 -2.100734 4.351544 
1 1 1   20   14  -35 f   35.237   1.5053  168.838   14.247  150.292   19.966  188.076   20.335   32.916   2.2723   36.940   2.0577 -4.024406 3.065537 
1 1 1   20   14  -34 o   27.293   1.7864  102.162   13.023   98.314   15.801  110.312   22.996   26.617   2.2308   27.787   3.1360 -1.170275 3.848487 
1 1 1   20   14  -33 o   20.588   2.3494   59.284   12.759   55.061   19.768   62.300   16.704   19.167   3.9704   20.829   3.0786 -1.661690 5.024115 
1 1 1   20   14  -32 o   14.616   2.3537   30.202   8.9266   27.275   12.618   33.135   12.631   13.577   3.4523   15.045   3.2228 -1.467834 4.722810 
1 1 1   20   14  -31 o   34.057   1.1988  156.924   10.966  162.175   15.621  151.823   15.397   34.497   1.6859   33.324   1.7261 1.173172 2.412835 
1 1 1   20   14  -30 o   41.670   1.5133  235.890   16.938  256.033   24.230  216.641   23.686   43.190   2.0887   39.608   2.2356 3.581093 3.059516 
1 1 1   20   14  -29 o   30.122   1.5966  123.703   12.871  141.214   18.696  107.926   17.746   31.985   2.1894   27.867   2.3942 4.118046 3.244305 
1 1 1   20   14  -28 o   8.4774   2.9324   9.2333   8.1288   6.6425   11.416   11.898   11.577   8.5833   3.3768   9.7437   3.4886 -1.160435 4.855179 
1 1 1   20   14  -27 o   38.998   1.1864  205.518   12.427  207.587   16.292  202.639   19.217   39.108   1.5510   38.551   1.8559 0.5566788 2.418693 
1 1 1   20   14  -26 o   12.652   1.7605   22.178   5.8208   20.405   6.6468   28.011   12.056   12.043   2.1330   13.869   3.2866 -1.826550 3.918057 
1 1 1   20   14  -25 o   4.7737   2.0728  -0.6961   4.9365  -6.9007   6.4840   7.8594   7.6139   4.4612   2.1002   8.0080   2.8332 -3.546861 3.526672 
1 1 1   20   14  -24 o   41.481   0.8769  231.750   9.7704  229.138   13.666  234.482   13.974   41.188   1.2353   41.663   1.2488 -0.4749107 1.756553 
1 1 1   20   14  -23 o   27.287   1.1218  100.449   8.2217   98.756   12.266  101.830   11.079   26.924   1.7050   27.383   1.5122 -0.4584885 2.278995 
1 1 1   20   14  -22 o   57.175   0.8637  440.148   13.264  452.054   18.834  428.433   18.682   57.871   1.2117   56.333   1.2347 1.537712 1.729965 
1 1 1   20   14  -21 o   45.241   0.8179  275.485   9.9380  281.333   14.984  270.893   13.279   45.656   1.2219   44.821   1.1030 0.8344460 1.646139 
1 1 1   20   14  -20 o   55.289   0.7737  411.317   11.490  412.474   17.864  410.500   15.006   55.290   1.2029   55.196   1.0122 0.9478760E-01 1.572126 
1 1 1   20   14  -19 o   33.427   1.0927  150.623   9.8103  151.104   11.518  149.354   18.721   33.457   1.2818   33.050   2.1202 0.4070740 2.477525 
1 1 1   20   14  -18 o   5.9358   2.5763  -0.9930   7.6198   9.3119   10.368 -13.0945   11.236   9.0025   3.2905   5.7405   2.7210 3.261986 4.269824 
1 1 1   20   14  -17 o   21.195   1.1046   60.712   6.2663   63.937   7.4687   53.045   11.516   21.728   1.2855   19.608   2.2262 2.119791 2.570648 
1 1 1   20   14  -16 o   58.057   0.7663  453.444   11.950  448.909   16.631  458.285   17.182   57.718   1.0728   58.314   1.0970 -0.5951614 1.534354 
1 1 1   20   14  -15 f   34.059   0.8167  156.087   7.4709  168.528   10.318  142.374   10.832   35.365   1.0862   32.488   1.2414 2.876457 1.649489 
1 1 1   20   14  -14 o   47.125   0.8077  298.781   10.224  300.129   15.265  297.685   13.768   47.179   1.2046   47.003   1.0906 0.1754112 1.624946 
1 1 1   20   14  -13 o   37.627   0.8401  190.496   8.4902  210.309   12.762  174.763   11.372   39.496   1.2030   36.007   1.1759 3.488964 1.682243 
1 1 1   20   14  -12 o   64.766   0.7788  564.218   13.548  582.879   19.236  545.849   19.085   65.778   1.0888   63.649   1.1164 2.128788 1.559402 
1 1 1   20   14  -11 o   58.857   0.7630  465.917   12.062  453.939   16.736  478.866   17.401   58.053   1.0733   59.624   1.0866 -1.570503 1.527305 
1 1 1   20   14  -10 f   29.346   0.9111  115.892   7.1817  123.242   10.449  109.311   9.8872   30.231   1.2869   28.471   1.2929 1.760435 1.824204 
1 1 1   20   14   -9 o   41.570   0.8997  232.532   10.045  210.326   17.221  243.984   12.367   39.448   1.6253   42.563   1.0818 -3.114906 1.952419 
1 1 1   20   14   -8 o   25.179   1.2102   85.435   8.1841   72.599   11.727   97.623   11.427   23.074   1.9093   26.835   1.5925 -3.760374 2.486318 
1 1 1   20   14   -7 o   10.978   2.2025   16.937   6.2686   15.811   8.3856   18.363   9.4377   10.576   2.8761   11.374   3.0335 -0.7978106 4.180169 
1 1 1   20   14   -6 o   20.343   1.2242   55.964   6.6576   51.615   9.4286   60.289   9.4018   19.447   1.8265   21.055   1.6764 -1.608122 2.479172 
1 1 1   20   14   -5 o   53.859   0.8077  390.135   11.684  386.388   18.023  392.852   15.345   53.545   1.2532   54.018   1.0577 -0.4732208 1.639845 
1 1 1   20   14   -4 o   8.5616   2.4309   10.226   5.8509   16.130   8.3668   4.5758   8.1850   10.680   2.8598   7.3516   2.8689 3.328074 4.050766 
1 1 1   20   14   -3 o   16.364   1.5875   36.493   6.8896   42.991   10.180   31.002   9.3584   17.669   2.1922   14.916   2.4188 2.753039 3.264399 
1 1 1   20   14   -2 o   86.864   1.0504  1015.72   24.507  1003.41   39.636  1023.33   31.182   86.167   1.7126   87.126   1.3325 -0.9593506 2.169928 
1 1 1   20   14   -1 o   69.023   0.8639  640.835   16.017  646.463   25.658  637.241   20.502   69.240   1.3797   68.794   1.1096 0.4461899 1.770463 
1 1 1   20   14    0 o   25.423   0.9581   86.970   6.5420   83.064   9.6457   90.298   8.9026   24.771   1.4561   25.885   1.2805 -1.113403 1.939077 
1 1 1   20   14    1 o   42.768   0.7879  245.972   9.0513  232.909   13.322  257.172   12.336   41.581   1.1929   43.709   1.0508 -2.127174 1.589647 
1 1 1   20   14    2 o   31.447   0.8643  133.020   7.3006  133.538   10.826  132.588   9.8866   31.478   1.2805   31.375   1.1732 0.1031971 1.736714 
1 1 1   20   14    3 o   28.492   0.9102  109.214   6.9655  107.586   10.327  110.572   9.4350   28.247   1.3611   28.647   1.2262 -0.4001713 1.832009 
1 1 1   20   14    4 o   27.140   0.9426   99.110   6.8713   98.730   10.186   99.427   9.3086   27.019   1.4084   27.161   1.2760 -0.1420422 1.900477 
1 1 1   20   14    5 o   69.689   0.8265  653.216   15.471  673.672   23.204  636.845   20.759   70.708   1.2218   68.766   1.1239 1.942276 1.660135 
1 1 1   20   14    6 o   19.428   1.1729   51.034   6.0917   46.488   8.8431   55.139   8.4036   18.451   1.8076   20.147   1.5653 -1.696178 2.391159 
1 1 1   20   14    7 o   39.383   0.8377  208.633   8.8615  220.975   13.574  199.467   11.698   40.491   1.2481   38.482   1.1318 2.008682 1.684858 
1 1 1   20   14    8 o   36.699   0.9386  181.247   9.2519  175.746   12.595  187.694   13.635   36.103   1.2988   37.303   1.3609 -1.199848 1.881241 
1 1 1   20   14    9 o   18.131   1.3858   44.611   6.6978   40.934   10.429   47.192   8.7379   17.198   2.3166   18.593   1.7711 -1.394373 2.916089 
1 1 1   20   14   10 f   47.957   0.8728  309.449   11.242  304.123   18.725  312.451   14.057   47.460   1.4689   48.164   1.0866 -0.7037277 1.827187 
1 1 1   20   14   11 o   60.113   0.8426  486.165   13.605  486.081   20.905  486.226   17.919   60.033   1.2965   60.076   1.1105 -0.4319382E-01 1.707065 
1 1 1   20   14   12 o   53.755   0.8361  388.781   12.072  355.234   18.063  415.857   16.228   51.315   1.3105   55.561   1.0874 -4.245178 1.702941 
1 1 1   20   14   13 o   50.526   0.8959  343.582   12.158  356.082   20.040  336.301   15.295   51.346   1.4531   49.954   1.1399 1.391899 1.846854 
1 1 1   20   14   14 o   56.624   0.8393  431.428   12.764  424.809   19.010  436.862   17.224   56.119   1.2612   56.935   1.1264 -0.8160095 1.690965 
1 1 1   20   14   15 f   8.6207   2.7254   10.071   7.0654   7.4250   9.1419   13.995   11.134   8.2828   3.0788   10.284   3.4341 -2.000761 4.612200 
1 1 1   20   14   16 o   13.949   1.6679   26.710   6.1248   35.517   8.2251   15.748   9.1762   16.060   1.9466   10.565   3.0584 5.494303 3.625302 
1 1 1   20   14   17 o   24.052   1.0995   77.975   7.1031   72.321   9.2251   86.210   11.132   23.081   1.4961   25.180   1.6552 -2.098919 2.231205 
1 1 1   20   14   18 o   6.6555   2.4497   4.8485   5.7607   5.2939   7.4672   4.1937   9.0538   7.2915   2.7671   7.5011   2.9893 -0.2095866 4.073414 
1 1 1   20   14   19 o   35.958   0.9534  174.144   9.2081  179.056   12.751  168.791   13.311   36.417   1.3036   35.343   1.4023 1.074139 1.914639 
1 1 1   20   14   20 o   27.920   1.0993  105.101   8.2436  105.407   10.908  104.694   12.589   27.882   1.4616   27.741   1.6977 0.1409092 2.240228 
1 1 1   20   14   21 o   35.849   1.0933  173.281   10.527  173.814   12.900  172.216   18.214   35.868   1.3390   35.543   1.9150 0.3257523 2.336683 
1 1 1   20   14   22 o   43.775   0.9483  258.151   11.149  250.601   14.616  268.660   17.243   43.078   1.2632   44.567   1.4405 -1.488235 1.915932 
1 1 1   20   14   23 o   28.522   1.0860  109.713   8.3192  111.160   11.177  107.916   12.458   28.624   1.4586   28.161   1.6543 0.4628487 2.205466 
1 1 1   20   14   24 o   21.607   1.3130   63.334   7.5838   75.659   11.063   52.408   10.416   23.534   1.7630   19.506   2.0173 4.027996 2.679130 
1 1 1   20   14   25 o   24.024   1.2199   78.161   7.8453   83.598   10.675   71.775   11.569   24.771   1.6133   22.880   1.8997 1.891594 2.492289 
1 1 1   20   14   26 o   36.591   0.9033  180.426   8.8782  182.776   11.595  177.096   13.802   36.786   1.1736   36.161   1.4211 0.6244011 1.843016 
1 1 1   20   14   27 o   29.223   1.0277  115.226   8.0665  115.722   10.297  114.438   12.979   29.243   1.3109   28.965   1.6754 0.2784309 2.127354 
1 1 1   20   14   28 o   42.472   0.8885  243.141   10.135  231.992   13.073  259.940   16.047   41.429   1.1748   43.805   1.3639 -2.375725 1.800087 
1 1 1   20   14   29 o   43.432   0.8467  254.216   9.8767  248.145   13.259  261.786   14.804   42.847   1.1521   43.983   1.2532 -1.136044 1.702293 
1 1 1   20   14   30 o   43.334   0.8572  253.126   9.9775  245.361   13.390  262.817   14.960   42.596   1.1704   44.060   1.2642 -1.463909 1.722762 
1 1 1   20   14   31 o   38.746   0.9826  202.620   10.226  210.908   13.737  192.320   15.313   39.458   1.2962   37.619   1.5155 1.838451 1.994209 
1 1 1   20   14   32 o   21.763   1.2260   64.311   7.1372   70.815   9.4430   55.645   10.900   22.768   1.5535   20.036   2.0546 2.731840 2.575736 
1 1 1   20   14   33 o   22.812   1.2716   70.703   7.7601   52.795   10.384   93.359   11.679   19.522   2.0090   26.120   1.6735 -6.598536 2.614697 
1 1 1   20   14   34 o   18.339   1.5955   46.116   7.7806   43.707   10.683   48.838   11.355   17.653   2.3084   18.673   2.3134 -1.020687 3.268119 
1 1 1   20   14   35 f   12.332   2.0527   21.415   6.5600   18.452   8.2558   26.491   10.805   11.273   2.7509   13.456   3.0589 -2.182862 4.113971 
1 1 1   20   14   36 o   28.644   1.1492  111.026   8.8410  124.240   12.385   97.297   12.625   30.174   1.5332   26.619   1.7760 3.555277 2.346213 
1 1 1   20   14   37 o   9.7716   2.7734   13.806   7.6175   18.472   9.8015   6.6886   12.105   11.217   3.1329   8.6784   3.4571 2.538095 4.665465 
1 1 1   20   14   38 o   5.5972   2.3101   1.5166   5.6298   0.0172   6.7170   5.0568   10.321   5.6994   2.4459   7.9040   3.1772 -2.204554 4.009611 
1 1 1   20   14   39 o   18.040   2.1133   45.707   10.046   42.778   12.634   50.741   16.564   17.150   2.8423   18.389   3.4810 -1.239092 4.493968 
1 1 1   20   14   40 o   13.079   3.2285   25.890   11.273   18.913   16.352   32.210   15.562   11.492   4.1427   14.321   3.9279 -2.828454 5.708767 
1 1 1   20   14   41 o   14.056   3.4404   30.545   12.883   42.425   19.492   21.329   17.168   16.049   4.3935   11.899   4.2495 4.149336 6.112412 
1 1 1   20   14   42 o   12.017   3.5894   22.696   12.473   34.419   19.393   14.424   16.290   14.279   4.5153   10.466   4.0575 3.813091 6.070522 
1 1 1   20   14   43 o   9.7234   3.5673   13.379   12.203   5.8708   18.334   19.350   16.350   9.3931   4.0363   11.237   4.1282 -1.843520 5.773555 
1 1 1   20   14   44 o   11.953   4.7346   22.870   22.586   0.0000   0.0000   22.870   22.586  ?   ?    11.953   4.7346 0.000000 4.734557 
1 1 1   20   14   45 o   7.4232   3.4424  -6.9356   16.377   0.0000   0.0000  -6.9356   16.377  ?   ?    7.4232   3.4424 0.000000 3.442354 
1 1 1   20   15  -41 o   14.511   5.1872   38.180   25.586   0.0000   0.0000   38.180   25.586  ?   ?    14.511   5.1872 0.000000 5.187224 
1 1 1   20   15  -40 f   25.767   2.9420   98.120   19.996   0.0000   0.0000   98.120   19.996  ?   ?    25.767   2.9420 0.000000 2.941976 
1 1 1   20   15  -39 o   14.228   3.9639   32.246   15.712   0.0000   0.0000   32.246   15.712  ?   ?    14.228   3.9639 0.000000 3.963895 
1 1 1   20   15  -38 o   11.362   3.4752   19.412   11.592   4.0293   16.981   32.836   15.863   9.1899   3.9149   14.460   3.9655 -5.270370 5.572367 
1 1 1   20   15  -37 o   28.863   1.9163  115.381   14.771  105.920   22.938  122.084   19.308   26.911   3.2384   29.405   2.4674 -2.494453 4.071342 
1 1 1   20   15  -36 o   17.748   2.0232   43.981   9.4721   54.608   13.501   33.680   13.292   19.561   2.6370   15.008   3.3789 4.552407 4.286056 
1 1 1   20   15  -35 o   15.666   2.2295   34.593   9.1162   44.608   12.578   23.509   13.231   17.635   2.7447   12.546   3.6843 5.089407 4.594324 
1 1 1   20   15  -34 o   36.462   1.2026  180.072   11.778  173.596   16.341  187.073   16.990   35.647   1.7067   37.004   1.7095 -1.356850 2.415592 
1 1 1   20   15  -33 o   18.757   2.0232   48.869   10.032   52.879   12.874   42.670   16.007   19.344   2.5391   16.924   3.6302 2.420441 4.430078 
1 1 1   20   15  -32 o   37.412   1.7536  191.201   17.621  169.653   23.728  217.697   26.311   34.829   2.5543   39.511   2.4921 -4.681679 3.568603 
1 1 1   20   15  -31 o   22.256   1.7035   67.968   10.105   82.129   14.372   54.121   14.212   24.303   2.2265   19.484   2.7958 4.819208 3.574044 
1 1 1   20   15  -30 o   43.434   1.0982  255.027   12.812  245.566   17.693  265.456   18.576   42.482   1.5506   44.163   1.5661 -1.681168 2.203872 
1 1 1   20   15  -29 o   15.457   2.5206   33.950   10.104   37.316   12.832   28.456   16.392   16.024   3.0935   13.780   4.1145 2.243577 5.147740 
1 1 1   20   15  -28 o   43.288   1.2533  253.733   14.572  249.045   23.898  256.508   18.386   42.576   2.0898   43.420   1.5765 -0.8444214 2.617773 
1 1 1   20   15  -27 f   52.904   1.0023  377.796   14.242  387.670   19.535  366.591   20.810   53.476   1.3600   51.953   1.4913 1.523327 2.018340 
1 1 1   20   15  -26 o   10.442   2.1682   15.509   5.8824   5.8569   7.7683   28.481   9.0063   7.4706   2.8254   14.169   2.4556 -6.698199 3.743372 
1 1 1   20   15  -25 o   18.569   1.4040   46.992   6.9509   61.019   9.3988   30.061   10.327   21.115   1.6709   14.488   2.7544 6.626907 3.221641 
1 1 1   20   15  -24 o   47.877   0.8826  308.898   11.350  300.702   15.869  317.483   16.240   47.155   1.2530   48.454   1.2479 -1.299267 1.768344 
1 1 1   20   15  -23 o   63.596   0.9444  545.205   16.131  548.077   21.389  541.416   24.565   63.674   1.2506   63.215   1.4468 0.4582367 1.912387 
1 1 1   20   15  -22 o   29.220   0.9726  115.104   7.6336  101.756   12.586  122.872   9.6013   27.310   1.7246   30.163   1.1851 -2.852148 2.092575 
1 1 1   20   15  -21 o   37.815   0.9029  192.649   9.1705  194.984   14.204  190.979   12.009   37.961   1.3931   37.608   1.1889 0.3537254 1.831394 
1 1 1   20   15  -20 o   35.367   1.0361  168.649   9.8419  187.404   15.489  155.951   12.745   37.189   1.5507   33.954   1.3976 3.235802 2.087535 
1 1 1   20   15  -19 o   16.321   1.2422   36.176   5.4044   34.883   6.7685   38.450   8.9767   15.966   1.5999   16.676   2.0471 -0.7104225 2.598186 
1 1 1   20   15  -18 o   14.197   1.4388   27.539   5.4108   31.807   6.8431   20.420   8.8383   15.221   1.7031   11.937   2.8042 3.283430 3.280885 
1 1 1   20   15  -17 o   30.219   0.9387  123.006   7.6187  123.735   9.4629  121.663   12.845   30.284   1.1634   29.926   1.6039 0.3581543 1.981410 
1 1 1   20   15  -16 o   62.320   0.8333  522.782   13.948  525.548   20.517  520.406   19.019   62.402   1.2241   62.116   1.1400 0.2855911 1.672713 
1 1 1   20   15  -15 o   66.059   0.8253  587.336   14.643  583.879   19.408  591.904   22.310   65.808   1.0980   66.219   1.2544 -0.4112320 1.667068 
1 1 1   20   15  -14 o   10.258   2.1225   14.848   5.6552   11.060   6.6178   25.103   10.888   8.8945   2.6038   13.214   3.1182 -4.319318 4.062363 
1 1 1   20   15  -13 o   5.1412   2.1964  -0.0822   5.3724   4.3448   6.2868 -12.0671   10.344   6.6694   2.5371   5.5111   2.6119 1.158317 3.641270 
1 1 1   20   15  -12 f   25.307   0.9900   86.268   6.7291   96.485   8.7517   71.493   10.525   26.743   1.2184   22.905   1.7233 3.837580 2.110535 
1 1 1   20   15  -11 o   7.3230   2.3357   7.1836   5.1805   10.018   6.8282   3.3398   7.9524   8.5677   2.6750   6.9642   2.7926 1.603521 3.867013 
1 1 1   20   15  -10 o   34.452   0.8465  159.742   7.8332  154.139   10.491  166.801   11.775   33.812   1.1553   35.162   1.2468 -1.349991 1.699726 
1 1 1   20   15   -9 o   32.101   0.8761  138.695   7.5539  142.387   10.297  134.392   11.116   32.496   1.1797   31.555   1.3115 0.9405041 1.764037 
1 1 1   20   15   -8 o   8.4672   2.4863   9.9713   6.0257   14.885   8.3437   4.6148   8.7114   10.265   2.8989   7.4997   2.9500 2.765309 4.135914 
1 1 1   20   15   -7 o   26.058   1.0357   91.462   7.2488   93.880   11.425   89.833   9.3780   26.293   1.6258   25.761   1.3602 0.5317345 2.119741 
1 1 1   20   15   -6 o   35.850   0.9313  173.017   8.9680  164.000   12.858  181.559   12.514   34.854   1.3734   36.687   1.2700 -1.832314 1.870646 
1 1 1   20   15   -5 o   41.384   0.8182  230.424   9.0951  224.251   13.716  235.269   12.150   40.776   1.2524   41.788   1.0825 -1.012280 1.655403 
1 1 1   20   15   -4 o   43.458   0.8055  254.081   9.4018  249.839   14.086  257.489   12.626   43.046   1.2184   43.719   1.0752 -0.6734467 1.624952 
1 1 1   20   15   -3 o   78.777   0.8747  835.119   18.508  835.482   27.548  834.820   24.988   78.696   1.3033   78.696   1.1822 -0.4577637E-03 1.759595 
1 1 1   20   15   -2 o   64.760   0.8683  564.357   15.103  572.866   21.562  556.160   21.163   65.181   1.2316   64.224   1.2268 0.9564285 1.738376 
1 1 1   20   15   -1 o   9.7916   2.1863   13.543   5.6045   26.613   8.1432   1.7805   7.7253   13.808   2.2749   6.5458   2.7042 7.262720 3.533775 
1 1 1   20   15    0 o   31.441   0.8556  133.013   7.2255  127.797   10.344  137.983   10.097   30.784   1.2510   31.995   1.1750 -1.211147 1.716268 
1 1 1   20   15    1 o   28.010   0.9021  105.589   6.7866  103.851   9.7563  107.218   9.4467   27.745   1.3092   28.197   1.2473 -0.4520550 1.808260 
1 1 1   20   15    2 o   12.337   1.7084   20.981   5.5091   23.792   7.8043   18.189   7.7778   13.031   2.3146   11.316   2.6121 1.715229 3.490023 
1 1 1   20   15    3 o   54.634   0.7633  401.489   11.201  405.862   15.887  397.165   15.796   54.889   1.0776   54.297   1.0831 0.5921555 1.527872 
1 1 1   20   15    4 o   36.738   0.8054  181.573   7.9473  173.295   11.193  189.989   11.286   35.857   1.1622   37.549   1.1190 -1.692345 1.613387 
1 1 1   20   15    5 o   67.369   0.7944  610.558   14.374  606.561   20.322  614.560   20.332   67.089   1.1278   67.531   1.1210 -0.4422989 1.590111 
1 1 1   20   15    6 o   54.647   0.8366  401.830   12.279  408.365   16.003  392.476   19.146   55.054   1.0822   53.930   1.3218 1.124554 1.708338 
1 1 1   20   15    7 o   29.300   0.9020  115.559   7.0986  127.652   9.9772  103.161   10.102   30.768   1.2073   27.644   1.3605 3.123747 1.818979 
1 1 1   20   15    8 o   23.576   1.0411   74.875   6.5927   79.856   9.1764   69.561   9.4780   24.275   1.4135   22.626   1.5693 1.649101 2.112040 
1 1 1   20   15    9 o   62.758   0.7832  529.873   13.201  547.012   18.783  513.141   18.558   63.710   1.0976   61.702   1.1198 2.008392 1.568050 
1 1 1   20   15   10 o   22.428   1.1445   67.990   6.8712   77.104   10.111   60.167   9.3667   23.820   1.5894   21.014   1.6734 2.805912 2.307904 
1 1 1   20   15   11 o   36.581   1.0311  180.292   10.131  163.642   16.352  190.663   12.907   34.702   1.7602   37.587   1.2785 -2.884705 2.175491 
1 1 1   20   15   12 f   19.521   1.3324   51.691   6.9441   51.918   10.295   51.501   9.4059   19.444   1.9998   19.400   1.8266 0.4364204E-01 2.708462 
1 1 1   20   15   13 o   23.953   1.1420   77.368   7.3471   84.056   11.015   72.006   9.8614   24.857   1.6593   23.008   1.6058 1.849049 2.309141 
1 1 1   20   15   14 o   7.8990   2.5986   8.2250   6.3837   16.715   9.1839   0.2887   8.8796   10.839   3.0344   6.6525   2.8324 4.186975 4.150898 
1 1 1   20   15   15 o   48.573   0.9257  317.737   12.077  323.774   17.722  312.504   16.501   48.957   1.3478   48.111   1.2769 0.8451385 1.856606 
1 1 1   20   15   16 o   26.954   1.0407   97.921   7.5346  100.304   9.6300   94.158   12.099   27.251   1.3157   26.295   1.7226 0.9562569 2.167580 
1 1 1   20   15   17 o   27.839   1.0828  104.493   8.0963  111.703   9.7704   88.692   14.464   28.762   1.2647   25.416   2.1387 3.346357 2.484676 
1 1 1   20   15   18 o   7.0537   2.6159   5.3855   6.5922   5.2329   7.8983   5.7360   11.968   7.3886   2.8359   8.6016   3.4340 -1.213038 4.453619 
1 1 1   20   15   19 o   16.197   1.7216   35.997   7.3751   38.367   8.1891   25.819   16.967   16.700   1.8572   13.431   4.2205 3.269032 4.611064 
1 1 1   20   15   20 o   24.308   1.1095   79.714   7.2440   86.170   9.2610   69.539   11.627   25.206   1.3731   22.518   1.9414 2.687881 2.377947 
1 1 1   20   15   21 o   5.6866   2.4189   0.2179   6.4649   11.169   8.9315 -11.8335   9.3697   9.1821   3.0757   5.1436   2.4514 4.038500 3.933129 
1 1 1   20   15   22 o   28.992   1.0232  113.355   7.9674  108.864   11.439  117.588   11.104   28.302   1.5102   29.474   1.4026 -1.171169 2.061115 
1 1 1   20   15   23 o   30.039   1.0862  121.788   8.7640  129.047   12.418  114.584   12.371   30.853   1.4985   29.012   1.5936 1.840267 2.187501 
1 1 1   20   15   24 o   17.617   1.5453   42.435   7.2382   42.854   9.6904   41.906   10.886   17.576   2.0939   17.290   2.4097 0.2861290 3.192317 
1 1 1   20   15   25 o   7.1074   2.6378   5.5597   6.7053  -2.9940   8.8513   17.079   10.272   6.0446   2.6937   10.914   3.2567 -4.869598 4.226327 
1 1 1   20   15   26 o   32.013   0.9804  138.281   8.4297  143.906   12.325  133.337   11.555   32.576   1.4086   31.365   1.3716 1.211260 1.966101 
1 1 1   20   15   27 f   30.959   1.0245  129.409   8.5191  127.337   12.066  131.468   12.030   30.625   1.4669   31.124   1.4390 -0.4991970 2.054887 
1 1 1   20   15   28 o   27.602   1.0305  102.889   7.6398   98.211   10.060  109.264   11.743   26.869   1.3988   28.304   1.5506 -1.434977 2.088286 
1 1 1   20   15   29 o   20.158   1.3776   55.380   7.4142   54.830   10.168   56.004   10.835   19.921   1.9243   20.102   2.0348 -0.1810570 2.800558 
1 1 1   20   15   30 o   4.7184   2.1901  -5.5120   6.6515  -4.9929   8.3944  -6.3879   10.903   5.5486   2.5330   6.3004   2.8804 -0.7518234 3.835744 
1 1 1   20   15   31 o   6.9717   2.7366   4.2843   7.4825   10.243   10.962  -0.9133   10.238   9.2115   3.3809   6.8449   2.9787 2.366635 4.505880 
1 1 1   20   15   32 o   24.163   1.2634   79.322   8.1713   74.124   11.440   84.738   11.676   23.202   1.8511   24.845   1.7610 -1.642908 2.554941 
1 1 1   20   15   33 o   10.289   2.3324   15.208   6.2971   16.427   8.0412   13.276   10.126   10.633   2.7831   9.8228   3.2748 0.8104258 4.297679 
1 1 1   20   15   34 o   7.7441   2.5828   8.0094   6.2984   8.3848   7.9677   7.3842   10.284   8.1664   2.8973   8.4158   3.2345 -0.2493420 4.342364 
1 1 1   20   15   35 o   17.979   1.4999   44.315   7.1772   39.413   8.8003   54.053   12.403   16.817   1.9867   19.578   2.4094 -2.761780 3.122880 
1 1 1   20   15   36 o   13.539   1.9387   25.710   6.8489   32.115   8.3571   12.610   11.952   15.104   2.1183   9.8405   3.5424 5.263331 4.127407 
1 1 1   20   15   37 o   27.147   1.3026  100.212   9.4978  105.379   13.983   95.787   12.942   27.586   1.8987   26.318   1.8424 1.267649 2.645670 
1 1 1   20   15   38 o   11.183   3.3646   18.754   10.930   23.276   16.389   15.131   14.669   12.376   4.1663   10.611   3.9084 1.765160 5.712643 
1 1 1   20   15   39 o   9.2454   3.4185   11.052   11.241  -8.4114   16.753   26.991   15.161   7.6523   3.5248   13.067   3.9696 -5.414551 5.308674 
1 1 1   20   15   40 f   23.587   2.2073   79.096   13.822   47.679   21.745  100.393   17.904   16.693   4.6678   26.352   2.5618 -9.659033 5.324609 
1 1 1   20   15   41 o   10.376   3.6222   16.146   12.417   3.6826   19.312   24.930   16.212   9.3219   4.0729   12.363   4.1439 -3.041115 5.810322 
1 1 1   20   15   42 o   17.906   3.6561   51.682   16.989   0.0000   0.0000   51.682   16.989  ?   ?    17.906   3.6561 0.000000 3.656124 
1 1 1   20   15   43 o   14.360   4.2205   36.320   17.357   0.0000   0.0000   36.320   17.357  ?   ?    14.360   4.2205 0.000000 4.220510 
1 1 1   20   16  -40 o   15.941   4.9750   47.210   23.621   0.0000   0.0000   47.210   23.621  ?   ?    15.941   4.9750 0.000000 4.974969 
1 1 1   20   16  -39 o   8.8678   3.8274   3.8579   16.629   0.0000   0.0000   3.8579   16.629  ?   ?    8.8678   3.8274 0.000000 3.827384 
1 1 1   20   16  -38 o   20.365   3.3283   63.134   17.576   0.0000   0.0000   63.134   17.576  ?   ?    20.365   3.3283 0.000000 3.328264 
1 1 1   20   16  -37 o   18.905   3.0395   53.058   14.911   79.790   35.447   47.312   16.435   20.614   6.0237   17.495   3.6170 3.118589 7.026272 
1 1 1   20   16  -36 o   23.166   2.0029   74.961   12.340   86.353   18.807   66.350   16.352   24.367   2.9325   21.325   2.9325 3.041925 4.147183 
1 1 1   20   16  -35 o   41.461   1.1275  233.057   12.556  241.072   17.897  225.289   17.620   41.974   1.5875   40.562   1.6173 1.411453 2.266209 
1 1 1   20   16  -34 o   13.235   2.6388   25.417   9.0516   13.805   12.328   38.998   13.332   10.150   3.6036   16.255   3.1676 -6.105205 4.797841 
1 1 1   20   16  -33 o   24.484   1.5388   82.042   10.068   88.975   14.232   75.096   14.245   25.297   2.1140   23.143   2.3230 2.153177 3.140916 
1 1 1   20   16  -32 o   35.822   1.2215  173.914   11.753  190.567   16.619  157.252   16.623   37.356   1.6564   33.824   1.8367 3.532776 2.473260 
1 1 1   20   16  -31 f   20.729   1.8799   59.365   10.352   59.813   13.732   58.776   15.756   20.577   2.5385   20.206   2.9938 0.3704624 3.925145 
1 1 1   20   16  -30 f   10.931   3.3861   17.253   10.965   15.675   13.393   20.461   19.097   10.763   3.7616   12.301   4.4704 -1.538741 5.842438 
1 1 1   20   16  -29 o   16.581   2.3224   38.743   10.059   42.449   13.186   33.584   15.558   17.133   2.9733   14.906   3.8565 2.226826 4.869638 
1 1 1   20   16  -28 o   19.308   1.4427   50.935   7.4279   61.745   8.9339   26.729   13.368   21.235   1.5777   13.377   3.6287 7.857852 3.956861 
1 1 1   20   16  -27 o   41.996   0.9872  238.153   11.135  238.963   14.407  236.953   17.548   41.989   1.2775   41.716   1.5661 0.2728806 2.021050 
1 1 1   20   16  -26 o   43.855   0.9906  259.695   11.668  265.494   15.890  252.909   17.189   44.244   1.3372   43.133   1.4837 1.110374 1.997354 
1 1 1   20   16  -25 o   18.482   1.5909   46.826   7.8201   53.202   11.136   40.621   10.984   19.551   2.1565   16.950   2.4866 2.600275 3.291477 
1 1 1   20   16  -24 o   11.371   2.7545   18.737   8.3239   15.091   10.244   25.823   14.281   10.342   3.2829   13.192   3.8144 -2.850736 5.032639 
1 1 1   20   16  -23 o   37.644   0.8401  190.980   8.4943  189.335   13.111  192.170   11.151   37.388   1.3056   37.713   1.1008 -0.3251457 1.707770 
1 1 1   20   16  -22 o   27.170   1.1347   99.749   8.2804  102.822   14.036   98.109   10.255   27.365   1.9218   26.861   1.4266 0.5042477 2.393383 
1 1 1   20   16  -21 o   6.6023   2.5735   3.8655   6.5808   3.2395   8.8359   4.6452   9.8618   7.1817   2.9208   7.7792   3.1132 -0.5974822 4.268816 
1 1 1   20   16  -20 o   35.985   0.9126  174.540   8.8210  178.641   12.834  170.868   12.144   36.335   1.3151   35.544   1.2721 0.7905998 1.829622 
1 1 1   20   16  -19 o   29.948   0.8960  120.852   7.2075  117.674   9.6848  124.797   10.790   29.509   1.2219   30.372   1.3227 -0.8636551 1.800764 
1 1 1   20   16  -18 o   8.6055   2.3055   10.509   5.4362   9.3842   6.7844   12.528   9.0864   8.3230   2.6748   9.5757   3.0974 -1.252685 4.092533 
1 1 1   20   16  -17 o   13.570   1.7730   25.441   6.3076   22.410   8.8392   28.586   9.0036   12.511   2.7090   14.237   2.4425 -1.725875 3.647540 
1 1 1   20   16  -16 o   21.766   1.1498   64.120   6.6982   58.581   8.1660   75.512   11.710   20.749   1.4749   23.484   1.8720 -2.735725 2.383251 
1 1 1   20   16  -15 o   36.148   0.8266  175.931   8.0256  180.859   10.886  170.062   11.879   36.614   1.1069   35.483   1.2465 1.131340 1.667000 
1 1 1   20   16  -14 o   32.703   0.8435  144.001   7.4095  157.984   10.104  127.731   10.899   34.224   1.0992   30.743   1.3199 3.480459 1.717629 
1 1 1   20   16  -13 o   26.349   0.9468   93.533   6.7002   89.892   8.8209   98.500   10.302   25.798   1.2730   26.948   1.4284 -1.150043 1.913339 
1 1 1   20   16  -12 o   31.972   0.8892  137.653   7.6354  139.516   10.068  135.131   11.715   32.155   1.1657   31.616   1.3796 0.5393066 1.806096 
1 1 1   20   16  -11 o   24.676   1.0164   82.067   6.7363   88.991   8.8006   72.269   10.468   25.670   1.2764   23.022   1.7050 2.648609 2.129880 
1 1 1   20   16  -10 o   18.827   1.2459   48.060   6.2649   47.816   8.1854   48.406   9.7344   18.713   1.6452   18.765   1.9603 -0.5200195E-01 2.559198 
1 1 1   20   16   -9 o   15.096   1.5234   31.147   6.0925   31.282   7.8126   30.938   9.7325   15.039   1.9825   14.824   2.5354 0.2144947 3.218459 
1 1 1   20   16   -8 o   11.873   2.0176   19.699   6.2040   9.4984   7.7750   37.577   10.293   8.5386   2.8696   16.407   2.4073 -7.868433 3.745664 
1 1 1   20   16   -7 o   7.2628   2.6856   5.7585   6.9381   2.9652   10.232   8.1362   9.4399   7.6018   3.1231   8.5097   3.1353 -0.9078989 4.425364 
1 1 1   20   16   -6 f   27.439   1.1639  101.558   8.5778   98.093   11.962  105.225   12.307   26.855   1.6666   27.820   1.6545 -0.9650383 2.348368 
1 1 1   20   16   -5 o   27.773   1.1205  104.009   8.3584  110.233   11.518   97.085   12.148   28.507   1.5097   26.710   1.7022 1.796349 2.275234 
1 1 1   20   16   -4 o   19.527   1.5514   51.921   8.0700   40.889   9.9996   72.527   13.666   17.179   2.2190   22.951   2.2458 -5.771648 3.157169 
1 1 1   20   16   -3 f   36.258   0.8243  176.931   8.0277  176.900   11.200  176.964   11.512   36.218   1.1514   36.220   1.1834 -0.2201080E-02 1.651045 
1 1 1   20   16   -2 o   46.782   0.7699  294.468   9.6735  301.335   13.776  287.789   13.587   47.281   1.0848   46.204   1.0948 1.076561 1.541228 
1 1 1   20   16   -1 o   21.902   1.1528   64.871   6.7576   55.370   9.0400   76.905   10.174   20.146   1.6861   23.781   1.6021 -3.635162 2.325878 
1 1 1   20   16    0 o   4.8992   2.1574  -1.4779   5.5133  -6.8161   7.6149   4.4029   7.9926   5.0046   2.3298   7.2225   2.8304 -2.217947 3.665913 
1 1 1   20   16    1 o   6.1658   2.3392   3.7294   5.3351   3.9177   7.4924   3.5358   7.5986   6.9469   2.7348   6.8891   2.7407 0.5776262E-01 3.871715 
1 1 1   20   16    2 o   14.554   1.4830   28.933   5.7160   30.318   8.1209   27.574   8.0469   14.780   2.1051   14.060   2.2031 0.7197361 3.047207 
1 1 1   20   16    3 f   22.159   1.0577   66.179   6.2950   58.989   8.8049   73.697   9.0035   20.816   1.5868   23.305   1.4455 -2.488571 2.146493 
1 1 1   20   16    4 o   8.4995   2.4183   10.135   5.7843   8.7761   7.8937   11.710   8.5003   8.3532   2.8896   9.3041   2.9945 -0.9508896 4.161333 
1 1 1   20   16    5 o   9.9803   2.4319   14.164   6.4594   23.439   7.9960  -3.2572   10.959   12.896   2.3967   6.8082   3.0176 6.087666 3.853576 
1 1 1   20   16    6 f   33.167   0.9028  148.126   8.0429  148.187   10.774  148.050   12.088   33.139   1.2104   33.104   1.3595 0.3581619E-01 1.820288 
1 1 1   20   16    7 o   24.273   1.0730   79.423   6.9957   85.165   9.2674   71.816   10.666   25.067   1.3818   22.947   1.7436 2.120234 2.224791 
1 1 1   20   16    8 o   6.8485   2.6840   3.9381   7.1876   3.8921   8.6947   4.0373   12.773   7.3174   2.9250   8.5156   3.4930 -1.198132 4.555945 
1 1 1   20   16    9 o   25.319   1.2966   86.801   8.7878   80.265   12.044   94.242   12.851   24.238   1.8644   26.282   1.8319 -2.043961 2.613788 
1 1 1   20   16   10 o   21.909   1.5277   65.279   8.9336   75.290   11.816   51.917   13.650   23.463   1.8910   19.248   2.7158 4.214546 3.309264 
1 1 1   20   16   11 o   33.388   1.0437  150.265   9.3594  137.145   12.091  169.880   14.784   31.847   1.4135   35.420   1.5540 -3.572393 2.100691 
1 1 1   20   16   12 o   43.632   0.8460  256.305   9.9140  257.565   12.976  254.539   15.366   43.701   1.1055   43.404   1.3181 0.2963371 1.720306 
1 1 1   20   16   13 o   7.0103   2.4885   5.8847   5.8791   7.5537   7.6727   3.5114   9.1495   7.9470   2.8406   7.3690   2.9811 0.5780363 4.117716 
1 1 1   20   16   14 o   31.676   0.9893  135.224   8.4170  141.807   12.222  129.286   11.609   32.379   1.4054   30.918   1.3979 1.461426 1.982218 
1 1 1   20   16   15 o   33.440   0.9508  150.678   8.5401  151.743   12.339  149.698   11.833   33.497   1.3714   33.279   1.3238 0.2185364 1.906082 
1 1 1   20   16   16 o   45.029   0.8800  273.099   10.643  266.502   14.105  281.823   16.219   44.429   1.1820   45.657   1.3226 -1.228729 1.773820 
1 1 1   20   16   17 o   27.940   0.9933  105.243   7.4541  113.701   9.8352   93.826   11.426   29.007   1.2624   26.247   1.6289 2.759977 2.060779 
1 1 1   20   16   18 o   12.608   2.0984   22.277   6.8559   17.867   8.0028   34.440   13.291   11.155   2.7001   15.405   3.3107 -4.250731 4.272194 
1 1 1   20   16   19 o   24.601   1.1619   81.737   7.6772   84.564   10.257   78.135   11.577   24.923   1.5397   23.889   1.8180 1.034382 2.382405 
1 1 1   20   16   20 o   32.223   0.9446  139.986   8.1754  153.482   11.169  124.412   11.999   33.694   1.2342   30.293   1.4747 3.401134 1.923001 
1 1 1   20   16   21 o   43.027   0.8714  249.492   10.071  251.068   14.018  247.810   14.477   43.094   1.2111   42.802   1.2593 0.2921371 1.747151 
1 1 1   20   16   22 o   22.738   1.2972   70.217   7.8895   65.834   10.592   75.679   11.824   21.896   1.8175   23.466   1.8921 -1.569521 2.623580 
1 1 1   20   16   23 o   47.354   0.8949  302.348   11.382  303.838   15.969  300.810   16.226   47.379   1.2549   47.134   1.2817 0.2446327 1.793757 
1 1 1   20   16   24 o   18.310   1.4926   45.839   7.2768   50.724   9.7352   39.653   10.954   19.162   1.9173   16.743   2.5134 2.418556 3.161218 
1 1 1   20   16   25 o   21.492   1.2666   62.778   7.2793   63.269   10.274   62.282   10.315   21.447   1.8001   21.272   1.8231 0.1755295 2.562059 
1 1 1   20   16   26 o   48.125   0.8595  312.308   11.110  315.975   16.545  309.298   14.992   48.288   1.2757   47.810   1.1675 0.4781723 1.729275 
1 1 1   20   16   27 o   34.360   1.0034  159.458   9.2607  160.440   14.170  158.725   12.235   34.335   1.5365   34.208   1.3317 0.1277657 2.033269 
1 1 1   20   16   28 o   4.9878   2.2969  -5.0732   7.1078 -10.6572   9.1095   3.6173   11.364   5.1322   2.4377   7.9479   3.2813 -2.815728 4.087743 
1 1 1   20   16   29 o   30.062   1.0878  122.200   8.7833  116.861   12.472  127.453   12.372   29.242   1.5940   30.605   1.5050 -1.363754 2.192205 
1 1 1   20   16   30 f   8.6718   2.5472   10.690   6.3236   13.030   8.1471   7.1453   10.029   9.5628   2.9110   8.3082   3.1940 1.254600 4.321563 
1 1 1   20   16   31 f   17.937   1.4661   44.040   7.0013   38.530   9.1120   51.981   10.939   16.604   2.0895   19.302   2.1464 -2.698381 2.995471 
1 1 1   20   16   32 o   29.429   1.0479  117.094   8.2833  113.650   10.434  122.964   13.622   28.931   1.3428   29.949   1.7004 -1.017746 2.166674 
1 1 1   20   16   33 o   6.6207   2.5293   4.4423   6.2645   2.6209   7.4519   8.8311   11.568   6.5459   2.6745   8.9737   3.4349 -2.427755 4.353313 
1 1 1   20   16   34 o   6.9440   2.4754   5.9366   5.8230   1.0271   7.1482   15.622   10.040   6.0771   2.5621   10.384   3.2438 -4.307014 4.133641 
1 1 1   20   16   35 o   21.137   1.4372   61.198   8.1111   70.915   11.155   50.298   11.815   22.620   1.8523   18.823   2.3909 3.797318 3.024418 
1 1 1   20   16   36 o   20.601   2.2079   59.885   12.026   76.813   18.097   46.497   16.094   22.918   3.0130   17.473   3.5505 5.445419 4.656653 
1 1 1   20   16   37 o   25.135   1.9261   88.224   12.904   74.542   19.015   99.905   17.569   22.312   3.2699   26.417   2.5062 -4.104168 4.119862 
1 1 1   20   16   38 o   18.653   2.4849   50.410   12.140   35.711   19.127   60.327   15.710   14.599   4.4638   20.117   2.9991 -5.518665 5.377768 
1 1 1   20   16   39 o   15.389   3.8578   38.531   15.915   65.050   44.987   34.737   17.015   16.998   6.6981   14.415   4.1623 2.582369 7.886004 
1 1 1   20   16   40 o   13.109   4.1767   29.165   16.569   0.0000   0.0000   29.165   16.569  ?   ?    13.109   4.1767 0.000000 4.176713 
1 1 1   20   16   41 o   15.134   4.0331   39.293   16.691   0.0000   0.0000   39.293   16.691  ?   ?    15.134   4.0331 0.000000 4.033137 
1 1 1   20   16   42 o   10.833   4.5489   16.730   22.386   0.0000   0.0000   16.730   22.386  ?   ?    10.833   4.5489 0.000000 4.548934 
1 1 1   20   17  -38 o   10.530   4.5263   10.700   23.071   0.0000   0.0000   10.700   23.071  ?   ?    10.530   4.5263 0.000000 4.526281 
1 1 1   20   17  -37 o   8.5101   3.7654   0.4066   16.992   0.0000   0.0000   0.4066   16.992  ?   ?    8.5101   3.7654 0.000000 3.765387 
1 1 1   20   17  -36 o   16.974   3.3550   44.325   14.754   83.820   36.390   36.556   16.140   20.632   6.1237   15.032   3.9470 5.599619 7.285502 
1 1 1   20   17  -35 o   26.668   2.1297  100.146   15.127  123.167   30.003   92.300   17.516   27.969   4.1171   25.302   2.6152 2.666672 4.877456 
1 1 1   20   17  -34 o   31.908   1.4853  139.292   12.730  156.124   20.179  128.167   16.406   33.308   2.2691   30.308   2.0271 3.000616 3.042672 
1 1 1   20   17  -33 o   13.161   2.5777   25.188   8.7862   13.472   12.330   37.274   12.524   10.022   3.5989   15.880   3.0470 -5.857661 4.715571 
1 1 1   20   17  -32 o   15.157   2.3082   32.667   9.1001   29.092   12.964   36.140   12.777   13.870   3.4846   15.621   3.1538 -1.751700 4.699870 
1 1 1   20   17  -31 o   22.250   1.6150   67.990   9.5856   74.080   13.598   61.975   13.514   23.008   2.2284   20.938   2.4494 2.069592 3.311372 
1 1 1   20   17  -30 o   15.045   2.3924   32.200   9.3437   38.140   13.079   26.007   13.354   16.117   3.1341   13.143   3.6517 2.973772 4.812248 
1 1 1   20   17  -29 f   22.357   1.4654   68.301   8.7510   69.160   11.330   67.031   13.778   22.366   1.9041   21.841   2.3876 0.5256863 3.053890 
1 1 1   20   17  -28 o   17.761   1.5229   43.265   7.1944   39.389   9.1866   49.412   11.570   16.787   2.0822   18.736   2.3508 -1.949116 3.140382 
1 1 1   20   17  -27 o   17.404   1.6342   41.682   7.5495   51.557   9.4842   24.604   12.472   19.310   1.8513   12.841   3.5141 6.468977 3.971910 
1 1 1   20   17  -26 o   18.352   1.7697   46.486   8.6150   47.606   9.9857   43.226   17.037   18.492   2.0448   16.913   3.8383 1.578451 4.348993 
1 1 1   20   17  -25 o   34.719   1.0743  163.000   10.018  161.197   13.160  165.485   15.450   34.438   1.4227   34.821   1.6519 -0.3827515 2.180126 
1 1 1   20   17  -24 o   33.782   0.9625  154.091   8.7331  139.461   12.582  167.692   12.131   32.025   1.4628   35.167   1.2843 -3.142078 1.946586 
1 1 1   20   17  -23 o   40.737   1.0027  224.154   10.971  227.560   18.570  222.328   13.598   40.829   1.6934   40.506   1.2499 0.3223305 2.104717 
1 1 1   20   17  -22 o   27.442   1.0092  101.712   7.4388   90.072   10.103  115.492   10.993   25.703   1.4696   29.165   1.4033 -3.462767 2.032018 
1 1 1   20   17  -21 o   30.601   0.9582  126.381   7.8759  123.514   10.740  129.718   11.584   30.184   1.3248   30.916   1.3951 -0.7328796 1.923847 
1 1 1   20   17  -20 o   4.3576   1.9977  -3.6074   5.2948  -7.5470   6.5133   4.0690   9.0918   4.3771   2.0739   7.4149   2.9814 -3.037810 3.631805 
1 1 1   20   17  -19 o   6.8907   2.4836   5.6112   5.8769   3.3407   7.4829   9.2661   9.4938   6.7574   2.7091   8.7284   3.1550 -1.970943 4.158541 
1 1 1   20   17  -18 f   8.5561   2.3809   10.402   5.6718   11.174   7.2865   9.2162   9.0350   8.9429   2.7586   8.6358   3.0829 0.3070946 4.136912 
1 1 1   20   17  -17 o   30.156   0.9100  122.594   7.3708  118.685   9.7839  127.725   11.209   29.624   1.2296   30.708   1.3590 -1.083780 1.832706 
1 1 1   20   17  -16 o   29.588   0.9207  118.013   7.3166  122.904   9.7243  111.633   11.108   30.154   1.2007   28.661   1.4476 1.493078 1.880695 
1 1 1   20   17  -15 o   25.319   1.0791   86.527   7.3384   89.381   8.9504   80.674   12.818   25.671   1.3024   24.225   1.9875 1.446539 2.376178 
1 1 1   20   17  -14 o   13.407   1.7603   24.856   6.1854   23.712   7.5838   27.129   10.690   12.972   2.2587   13.709   2.9877 -0.7365589 3.745366 
1 1 1   20   17  -13 o   29.160   0.9496  114.615   7.4369  120.299   9.7424  106.678   11.513   29.838   1.2156   28.007   1.5363 1.831507 1.959068 
1 1 1   20   17  -12 o   9.3127   2.3241   12.360   5.7948   6.9662   7.2713   21.748   9.5931   7.6721   2.7628   12.276   2.9469 -4.603580 4.039464 
1 1 1   20   17  -11 o   13.787   1.6247   26.138   5.9006   26.094   7.6892   26.201   9.2026   13.654   2.1693   13.570   2.6197 0.8358669E-01 3.401275 
1 1 1   20   17  -10 o   13.087   1.7300   23.658   5.9318   19.461   7.9550   28.914   8.9025   11.665   2.6048   14.333   2.3972 -2.667522 3.539956 
1 1 1   20   17   -9 f   30.066   0.9572  121.829   7.7298  134.715   11.627  111.621   10.348   31.558   1.3717   28.731   1.3409 2.827446 1.918234 
1 1 1   20   17   -8 o   40.537   0.8542  221.288   9.3000  212.989   14.019  227.811   12.428   39.695   1.3149   41.088   1.1262 -1.393547 1.731281 
1 1 1   20   17   -7 o   33.413   0.8744  150.361   7.8474  148.598   10.921  152.244   11.283   33.171   1.2258   33.571   1.2514 -0.4005280 1.751707 
1 1 1   20   17   -6 o   31.157   1.0070  130.858   8.4269  125.589   13.972  133.870   10.565   30.368   1.7200   31.482   1.2494 -1.114246 2.125936 
1 1 1   20   17   -5 o   25.350   1.0345   86.640   7.0437   82.743   10.457   89.877   9.5300   24.658   1.5873   25.743   1.3834 -1.084808 2.105540 
1 1 1   20   17   -4 o   25.837   1.0297   89.994   7.1454   80.526   10.522   98.096   9.7339   24.318   1.6203   26.938   1.3453 -2.619593 2.105983 
1 1 1   20   17   -3 o   25.318   1.0436   86.428   7.0967   72.123   10.584   98.111   9.5654   22.987   1.7269   26.943   1.3218 -3.956297 2.174688 
1 1 1   20   17   -2 f   31.057   1.0244  130.028   8.5453  119.241   12.208  140.391   11.965   29.632   1.5392   32.221   1.3826 -2.589296 2.068970 
1 1 1   20   17   -1 o   29.133   0.9283  114.332   7.2640  121.757   10.285  106.943   10.261   30.022   1.2755   28.126   1.3583 1.896622 1.863237 
1 1 1   20   17    0 o   46.809   0.8356  294.992   10.505  284.368   13.967  308.830   15.940   45.910   1.1327   47.822   1.2410 -1.911758 1.680224 
1 1 1   20   17    1 o   22.529   1.1106   68.464   6.7200   73.379   9.3455   63.202   9.6698   23.233   1.5058   21.519   1.6865 1.713209 2.260876 
1 1 1   20   17    2 f   37.569   0.8562  190.054   8.6400  202.384   11.932  176.463   12.527   38.728   1.1471   36.140   1.2906 2.587868 1.726657 
1 1 1   20   17    3 o   29.673   0.9923  118.666   7.9088  112.279   10.514  126.988   12.002   28.818   1.3584   30.632   1.4588 -1.813971 1.993309 
1 1 1   20   17    4 o   10.865   2.1205   16.646   5.9662   22.517   8.2860   10.326   8.5976   12.588   2.5384   8.9035   3.0175 3.684451 3.943177 
1 1 1   20   17    5 o   21.379   1.3023   61.987   7.4423   68.432   10.610   55.744   10.442   22.375   1.7802   20.142   1.9547 2.233149 2.643848 
1 1 1   20   17    6 o   42.797   0.8575  246.640   9.8565  258.926   14.769  236.774   13.235   43.782   1.2560   41.882   1.1765 1.899776 1.720948 
1 1 1   20   17    7 o   55.357   0.8501  412.645   12.639  407.568   17.728  417.893   18.025   54.941   1.2013   55.632   1.2063 -0.6903534 1.702460 
1 1 1   20   17    8 o   33.881   0.9266  154.663   8.4320  143.061   12.337  164.834   11.551   32.516   1.4126   34.934   1.2311 -2.418259 1.873748 
1 1 1   20   17    9 f   7.1356   2.4815   6.3245   5.8250   4.8152   7.9058   8.1170   8.6154   7.2777   2.8252   8.3003   3.0047 -1.022598 4.124323 
1 1 1   20   17   10 o   24.632   1.0472   81.828   6.9282   89.396   9.4725   73.123   10.159   25.669   1.3790   23.156   1.6441 2.513145 2.145870 
1 1 1   20   17   11 o   24.162   1.1140   78.787   7.2293   77.378   10.399   80.105   10.058   23.823   1.6350   24.259   1.5517 -0.4359951 2.254077 
1 1 1   20   17   12 o   59.893   0.8017  483.000   12.897  496.497   18.108  469.103   18.374   60.652   1.1116   58.942   1.1606 1.710186 1.607048 
1 1 1   20   17   13 o   37.362   0.8580  188.035   8.6099  192.639   11.838  182.863   12.546   37.768   1.1670   36.778   1.2700 0.9897003 1.724742 
1 1 1   20   17   14 o   18.531   1.4644   46.818   7.2292   56.164   10.540   38.515   9.9341   20.194   1.9683   16.607   2.2879 3.587494 3.018055 
1 1 1   20   17   15 o   25.060   1.1660   84.837   7.8481   85.080   11.296   84.611   10.912   24.959   1.6950   24.903   1.6406 0.5605698E-01 2.358975 
1 1 1   20   17   16 o   17.030   1.5971   39.727   7.2199   42.177   8.8286   34.781   12.545   17.480   1.9116   15.508   3.1198 1.971945 3.658918 
1 1 1   20   17   17 o   35.305   0.9083  168.035   8.6129  165.030   11.564  171.779   12.908   34.932   1.2325   35.614   1.3494 -0.6822777 1.827536 
1 1 1   20   17   18 f   18.142   1.4318   44.908   6.9201   42.914   8.8988   47.957   11.007   17.624   1.9105   18.544   2.2563 -0.9208336 2.956556 
1 1 1   20   17   19 o   10.533   2.3537   15.887   6.4913   14.595   8.0721   18.254   10.921   10.078   2.8531   11.242   3.3588 -1.163798 4.406960 
1 1 1   20   17   20 o   16.516   1.6809   37.538   7.3526   18.035   10.230   58.376   10.575   11.148   3.2299   20.562   1.9375 -9.414396 3.766470 
1 1 1   20   17   21 o   43.586   0.8732  256.179   10.223  258.452   13.611  253.236   15.484   43.710   1.1593   43.216   1.3340 0.4939423 1.767366 
1 1 1   20   17   22 o   17.133   1.5167   40.230   6.9078   32.016   8.8095   53.343   11.131   15.079   2.2434   19.569   2.1533 -4.489761 3.109615 
1 1 1   20   17   23 o   23.712   1.1789   76.112   7.5082   75.187   10.275   77.173   10.999   23.425   1.6434   23.706   1.7395 -0.2807369 2.393074 
1 1 1   20   17   24 o   41.448   0.9772  232.006   10.879  235.612   17.194  229.599   14.049   41.598   1.5389   41.153   1.2710 0.4444351 1.995924 
1 1 1   20   17   25 o   26.663   1.1291   96.197   8.0860   95.839   11.621   96.533   11.258   26.453   1.6437   26.567   1.5850 -0.1138935 2.283438 
1 1 1   20   17   26 o   22.528   1.3946   69.212   8.3968   73.623   13.190   66.206   10.888   22.999   2.1606   21.899   1.8690 1.100462 2.856836 
1 1 1   20   17   27 o   18.206   1.8524   45.880   8.9320   59.111   13.084   34.335   12.223   20.489   2.4246   15.317   3.0780 5.172760 3.918235 
1 1 1   20   17   28 o   6.4443   2.5407   3.5254   6.4759   6.2658   8.5159  -0.2324   9.9723   7.7293   2.9499   6.8515   2.9605 0.8777866 4.179276 
1 1 1   20   17   29 f   6.0427   2.5209   1.3965   6.8085   1.4736   8.4944   1.2580   11.386   6.6628   2.8001   7.5305   3.2068 -0.8677077 4.257291 
1 1 1   20   17   30 o   39.156   0.9772  207.167   10.277  213.593   13.234  197.403   16.313   39.684   1.2416   38.029   1.5971 1.655724 2.022956 
1 1 1   20   17   31 o   18.635   1.3215   47.413   6.5716   47.623   8.2058   47.036   10.973   18.589   1.6610   18.269   2.2864 0.3203640 2.826081 
1 1 1   20   17   32 o   11.049   2.5858   17.819   7.5381   13.952   10.264   22.346   11.107   9.9400   3.2963   12.215   3.3051 -2.274815 4.667896 
1 1 1   20   17   33 o   20.018   1.4965   55.036   7.9880   61.667   11.062   47.811   11.547   21.027   1.9821   18.328   2.4037 2.698483 3.115463 
1 1 1   20   17   34 o   18.333   1.9865   47.131   9.6250   41.584   13.729   52.494   13.498   16.677   3.1811   19.028   2.7183 -2.351538 4.184290 
1 1 1   20   17   35 o   18.092   2.5432   47.365   12.017   52.105   17.817   43.409   16.276   18.276   3.7552   16.656   3.7308 1.619619 5.293463 
1 1 1   20   17   36 o   15.062   2.9732   34.178   11.601   25.672   17.576   40.743   15.442   12.638   4.3143   16.068   3.6599 -3.429826 5.657565 
1 1 1   20   17   37 o   8.4405   3.7422   0.0310   16.866   0.0000   0.0000   0.0310   16.866  ?   ?    8.4405   3.7422 0.000000 3.742174 
1 1 1   20   17   38 o   13.089   4.0993   28.939   16.022   0.0000   0.0000   28.939   16.022  ?   ?    13.089   4.0993 0.000000 4.099301 
1 1 1   20   17   39 f   40.797   2.1541  238.978   23.521   0.0000   0.0000  238.978   23.521  ?   ?    40.797   2.1541 0.000000 2.154128 
1 1 1   20   17   40 o   14.969   4.8712   43.910   22.454   0.0000   0.0000   43.910   22.454  ?   ?    14.969   4.8712 0.000000 4.871192 
1 1 1   20   18  -36 o   30.069   3.6625  144.000   28.968   0.0000   0.0000  144.000   28.968  ?   ?    30.069   3.6625 0.000000 3.662454 
1 1 1   20   18  -35 o   20.851   3.0734   65.892   16.696   0.0000   0.0000   65.892   16.696  ?   ?    20.851   3.0734 0.000000 3.073434 
1 1 1   20   18  -34 o   7.3722   3.3031  -2.6672   13.504   5.3750   34.280  -4.1444   14.692   11.572   5.2171   7.5046   3.3965 4.066923 6.225266 
1 1 1   20   18  -33 o   12.432   3.6781   24.193   13.144   15.879   26.253   26.974   15.184   11.861   4.9494   13.014   3.9768 -1.152591 6.349131 
1 1 1   20   18  -32 o   36.621   1.2654  182.670   12.447  182.320   20.270  182.882   15.771   36.091   2.1001   36.485   1.6093 -0.3937531 2.645808 
1 1 1   20   18  -31 o   31.614   1.3089  136.098   11.114  137.125   15.423  134.989   16.030   31.478   1.8322   31.184   1.9232 0.2936745 2.656274 
1 1 1   20   18  -30 o   21.179   1.3678   61.337   7.7391   63.624   9.4365   56.637   13.526   21.487   1.6476   19.895   2.5928 1.592035 3.071994 
1 1 1   20   18  -29 o   26.854   1.1251   97.722   8.1152  123.502   11.503   72.175   11.451   30.109   1.4224   22.823   1.8848 7.285601 2.361302 
1 1 1   20   18  -28 o   8.9509   2.7836   11.365   7.4024   22.619   10.632   0.7794   10.312   12.330   3.1872   7.1079   3.0399 5.221952 4.404515 
1 1 1   20   18  -27 o   30.170   1.1612  123.329   9.4098  119.405   12.128  129.264   14.915   29.552   1.5332   30.641   1.8205 -1.089008 2.380100 
1 1 1   20   18  -26 o   15.685   1.8887   34.248   7.7968   31.994   9.8864   37.956   12.681   14.939   2.5558   16.113   3.0415 -1.174153 3.972744 
1 1 1   20   18  -25 o   37.365   1.2244  189.299   12.289  192.916   16.928  185.271   17.867   37.564   1.6778   36.759   1.8097 0.8049660 2.467782 
1 1 1   20   18  -24 o   9.5649   2.7931   13.189   7.6235   22.862   10.609   2.8600   10.962   12.423   3.1692   7.6766   3.2004 4.746832 4.503977 
1 1 1   20   18  -23 o   28.153   0.9813  107.091   7.4205  113.945   9.8469   98.082   11.289   28.982   1.2649   26.771   1.5769 2.211124 2.021559 
1 1 1   20   18  -22 o   38.527   0.8469  200.233   8.7635  192.579   11.708  209.983   13.215   37.711   1.1559   39.351   1.2503 -1.639484 1.702797 
1 1 1   20   18  -21 o   19.760   1.3262   53.233   6.9978   51.968   8.6794   55.582   11.829   19.435   1.6792   19.922   2.2501 -0.4866505 2.807635 
1 1 1   20   18  -20 o   19.240   1.4495   50.618   7.4357   53.583   10.745   47.893   10.301   19.623   2.0699   18.528   2.1073 1.094141 2.953868 
1 1 1   20   18  -19 o   15.979   1.5192   35.057   6.4418   38.049   8.4012   30.789   10.035   16.548   1.9262   14.642   2.6493 1.906181 3.275520 
1 1 1   20   18  -18 o   28.417   1.1091  109.214   8.4650  112.192   12.334  106.562   11.639   28.648   1.6094   27.933   1.5575 0.7145481 2.239682 
1 1 1   20   18  -17 o   6.0884   2.4486   2.5857   6.1335   0.0498   8.1730   5.8553   9.2803   6.2910   2.6989   7.8469   3.0568 -1.555804 4.077757 
1 1 1   20   18  -16 o   32.733   0.9419  144.582   8.2811  142.979   10.759  146.913   12.971   32.496   1.2327   32.883   1.4686 -0.3878365 1.917380 
1 1 1   20   18  -15 o   8.3278   2.4999   9.7424   6.0393   15.702   7.5511  -0.8366   10.061   10.424   2.6817   6.8086   2.9578 3.615130 3.992472 
1 1 1   20   18  -14 o   35.946   0.9073  174.254   8.7594  170.257   11.233  180.455   13.992   35.481   1.1787   36.468   1.4285 -0.9873734 1.851995 
1 1 1   20   18  -13 f   58.260   0.9138  457.702   14.299  451.082   17.284  472.053   25.450   57.779   1.1137   58.913   1.6084 -1.133743 1.956336 
1 1 1   20   18  -12 o   47.173   0.8080  299.785   10.238  304.982   14.094  293.978   14.897   47.516   1.1043   46.629   1.1894 0.8868217 1.623057 
1 1 1   20   18  -11 o   24.559   1.1342   81.492   7.4816   81.309   10.809   81.661   10.366   24.394   1.6596   24.465   1.5860 -0.7119370E-01 2.295601 
1 1 1   20   18  -10 o   29.182   1.0206  114.910   7.9997  101.903   11.675  126.420   10.983   27.341   1.5968   30.556   1.3382 -3.214645 2.083417 
1 1 1   20   18   -9 o   17.194   1.3868   40.298   6.3497   41.707   8.7108   38.699   9.2753   17.384   1.8963   16.682   2.1177 0.7019272 2.842675 
1 1 1   20   18   -8 o   19.530   1.3284   51.858   6.9268   40.831   10.221   61.225   9.4202   17.100   2.2822   21.158   1.6713 -4.057455 2.828752 
1 1 1   20   18   -7 o   26.356   1.0041   93.697   7.1078  102.418   9.9793   84.718   10.126   27.506   1.3508   24.946   1.5185 2.560169 2.032356 
1 1 1   20   18   -6 o   18.445   1.2900   46.237   6.3506   50.084   9.0245   42.463   8.9383   19.102   1.7794   17.540   1.9291 1.561520 2.624472 
1 1 1   20   18   -5 o   34.530   0.9105  160.689   8.4445  166.930   12.795  155.873   11.240   35.118   1.3565   33.958   1.2323 1.159817 1.832695 
1 1 1   20   18   -4 o   20.194   1.2200   55.309   6.5863   60.374   9.6587   50.906   9.0044   21.002   1.7276   19.266   1.7595 1.735531 2.465847 
1 1 1   20   18   -3 o   30.234   0.9411  123.219   7.6421  115.419   11.156  130.114   10.490   29.192   1.4229   31.023   1.2589 -1.831238 1.899828 
1 1 1   20   18   -2 o   33.638   0.8673  152.442   7.8357  164.018   11.398  142.068   10.790   34.839   1.2180   32.421   1.2391 2.418316 1.737524 
1 1 1   20   18   -1 o   26.845   1.0447   97.227   7.5325   98.680   11.114   95.993   10.244   26.930   1.5430   26.582   1.4402 0.3478966 2.110663 
1 1 1   20   18    0 o   27.788   1.0108  104.143   7.5441  104.129   10.567  104.158   10.774   27.692   1.4255   27.690   1.4537 0.2292633E-02 2.036055 
1 1 1   20   18    1 o   8.7742   2.6884   10.706   6.9338   16.953   8.8070   0.5205   11.246   10.857   2.9453   7.4478   3.1797 3.409463 4.334185 
1 1 1   20   18    2 o   12.093   2.1409   20.579   6.6992   24.069   10.123   17.858   8.9362   12.905   2.9805   11.131   2.9438 1.773758 4.189217 
1 1 1   20   18    3 o   14.987   1.6684   30.883   6.6023   38.680   9.6626   24.056   9.0423   16.663   2.2138   12.964   2.6851 3.698700 3.480069 
1 1 1   20   18    4 o   27.178   0.9842   99.602   7.1846   92.492   10.141  106.768   10.180   26.087   1.4531   28.088   1.3494 -2.000362 1.983034 
1 1 1   20   18    5 o   11.366   2.1412   18.238   6.2967   13.615   8.9983   22.673   8.8144   9.8685   3.0691   12.575   2.6911 -2.706209 4.081785 
1 1 1   20   18    6 o   40.165   0.8741  217.370   9.4300  215.777   14.082  218.664   12.697   39.935   1.3129   40.231   1.1750 -0.2959480 1.761908 
1 1 1   20   18    7 o   26.108   1.0272   91.960   7.2029   94.381   10.140   89.496   10.233   26.353   1.4381   25.648   1.4919 0.7048569 2.072155 
1 1 1   20   18    8 o   29.889   0.9421  120.442   7.5630  120.085   10.600  120.813   10.794   29.787   1.3249   29.874   1.3452 -0.8654976E-01 1.888133 
1 1 1   20   18    9 o   32.431   0.9011  141.769   7.8497  148.980   11.000  134.286   11.205   33.193   1.2338   31.497   1.3245 1.695793 1.810139 
1 1 1   20   18   10 o   23.421   1.1062   74.083   6.9588   71.811   9.5376   76.669   10.176   22.946   1.5568   23.700   1.6080 -0.7548046 2.238149 
1 1 1   20   18   11 o   41.780   0.8793  235.272   9.8673  235.194   14.406  235.341   13.543   41.687   1.2866   41.719   1.2086 -0.3192902E-01 1.765262 
1 1 1   20   18   12 o   31.685   0.9425  135.401   8.0212  140.742   10.880  129.041   11.872   32.251   1.2561   30.846   1.4329 1.404703 1.905491 
1 1 1   20   18   13 f   21.701   1.2028   63.886   6.9833   65.099   9.3184   62.332   10.547   21.823   1.6009   21.285   1.8637 0.5378666 2.456891 
1 1 1   20   18   14 o   38.070   0.9451  195.518   9.6637  202.998   12.165  182.722   15.910   38.745   1.1690   36.644   1.6165 2.100838 1.994877 
1 1 1   20   18   15 o   31.546   1.0838  134.465   9.1828  125.247   12.278  146.169   13.834   30.359   1.5057   32.780   1.5713 -2.420612 2.176253 
1 1 1   20   18   16 o   17.369   1.5757   41.380   7.2709   41.821   10.170   40.918   10.399   17.281   2.2442   17.063   2.3299 0.2173748 3.234915 
1 1 1   20   18   17 o   34.968   1.0136  165.154   9.5202  169.279   12.110  158.478   15.405   35.343   1.2757   34.084   1.6827 1.259506 2.111598 
1 1 1   20   18   18 o   7.5290   2.6787   6.9902   6.8154   3.6946   8.9747   11.480   10.475   7.2839   2.9504   9.4130   3.3239 -2.129156 4.444468 
1 1 1   20   18   19 o   19.665   1.4836   52.892   7.7783   51.760   11.200   53.947   10.811   19.243   2.2068   19.694   2.0751 -0.4504242 3.029137 
1 1 1   20   18   20 o   21.718   1.3619   64.294   7.9042   68.069   10.320   58.937   12.294   22.247   1.7410   20.520   2.2686 1.727055 2.859634 
1 1 1   20   18   21 o   15.794   1.6593   34.422   6.9338   37.560   8.9634   29.746   10.942   16.386   2.0837   14.273   2.9516 2.113318 3.613060 
1 1 1   20   18   22 o   28.694   1.0127  111.280   7.8048  105.569   10.366  118.755   11.859   27.871   1.3848   29.493   1.5020 -1.622210 2.042944 
1 1 1   20   18   23 o   25.922   1.0936   90.918   7.6139   82.564   9.9163  102.917   11.884   24.574   1.5097   27.411   1.6214 -2.836302 2.215412 
1 1 1   20   18   24 o   36.035   0.9225  175.333   8.9289  176.656   11.822  173.577   13.624   36.098   1.2193   35.722   1.4200 0.3756104 1.871607 
1 1 1   20   18   25 o   24.386   1.5910   81.480   10.364   82.943   13.402   79.305   16.346   24.442   2.0606   23.663   2.6156 0.7788162 3.329789 
1 1 1   20   18   26 o   29.215   1.1757  115.649   9.2254  122.221   11.683  104.760   15.036   29.965   1.4516   27.489   2.0514 2.476028 2.512998 
1 1 1   20   18   27 o   12.085   2.1896   20.799   6.8456   17.969   8.5779   25.763   11.360   11.067   2.8638   13.157   3.2368 -2.090432 4.321834 
1 1 1   20   18   28 o   19.234   1.4031   50.605   7.1986   59.554   9.9034   40.581   10.482   20.760   1.7937   16.917   2.3721 3.842743 2.973963 
1 1 1   20   18   29 o   24.474   1.1994   81.264   7.8841   83.377   10.004   77.799   12.808   24.671   1.5171   23.642   2.0369 1.029053 2.539784 
1 1 1   20   18   30 o   9.4682   2.7924   13.022   7.5861   26.434   11.917   3.8847   9.8364   13.233   3.3498   7.5093   3.0710 5.723818 4.544483 
1 1 1   20   18   31 o   11.482   2.5123   19.260   7.5324   19.082   10.212   19.472   11.155   11.282   3.2144   11.383   3.3932 -0.1014147 4.673982 
1 1 1   20   18   32 o   10.176   3.1067   15.339   9.2692   14.526   13.496   16.064   12.753   10.312   3.7564   10.571   3.6720 -0.2596254 5.252975 
1 1 1   20   18   33 o   15.548   2.8790   35.963   11.580   31.899   17.980   38.844   15.138   13.964   4.3377   15.748   3.6501 -1.784607 5.669092 
1 1 1   20   18   34 o   28.758   1.9640  116.189   15.080  134.690   29.284  109.513   17.592   29.310   3.8099   27.623   2.3947 1.687004 4.499997 
1 1 1   20   18   35 o   12.998   3.7997   27.526   14.101   7.8070   34.305   31.535   15.469   11.567   5.2167   13.809   3.9632 -2.242037 6.551415 
1 1 1   20   18   36 o   17.464   3.9772   50.838   18.238   0.0000   0.0000   50.838   18.238  ?   ?    17.464   3.9772 0.000000 3.977178 
1 1 1   20   18   37 o   9.7208   4.3452   4.3480   23.222   0.0000   0.0000   4.3480   23.222  ?   ?    9.7208   4.3452 0.000000 4.345178 
1 1 1   20   19  -34 o   10.277   4.1324   14.142   17.467   0.0000   0.0000   14.142   17.467  ?   ?    10.277   4.1324 0.000000 4.132373 
1 1 1   20   19  -33 o   27.833   2.1843  110.844   16.198   85.860   35.175  117.568   18.248   20.413   6.0107   28.485   2.4077 -8.071133 6.475043 
1 1 1   20   19  -32 o   10.310   3.7841   15.302   13.733   26.950   32.603   12.790   15.142   13.236   5.5187   9.9870   3.9007 3.248801 6.758031 
1 1 1   20   19  -31 o   5.0871   2.4828 -18.4650   11.104   11.720   31.614 -22.7127   11.859   11.891   5.2029   5.0389   2.4809 6.852481 5.764098 
1 1 1   20   19  -30 o   22.737   1.9390   72.361   11.728   79.670   25.539   70.408   13.203   22.133   4.4504   22.279   2.2365 -0.1467438 4.980774 
1 1 1   20   19  -29 o   6.0136   2.7491  -5.3181   9.9305   1.6991   16.611  -9.2209   12.388   8.7778   3.8069   6.3757   2.9692 2.402118 4.827868 
1 1 1   20   19  -28 o   19.929   1.5544   54.693   8.2543   57.743   10.628   50.056   13.103   20.331   1.9711   18.605   2.7011 1.726385 3.343821 
1 1 1   20   19  -27 o   22.490   1.6715   69.739   10.025   60.323   17.909   74.037   12.098   20.091   3.4425   23.062   1.9722 -2.970528 3.967400 
1 1 1   20   19  -26 o   12.945   2.3038   23.995   7.7168   27.604   10.601   19.927   11.255   13.670   2.9720   11.556   3.3993 2.113605 4.515308 
1 1 1   20   19  -25 o   7.6409   2.6887   7.4533   6.8485   11.650   9.5567   3.0231   9.8192   9.2627   3.1809   7.3551   3.0444 1.907651 4.403015 
1 1 1   20   19  -24 o   12.274   1.8564   21.140   5.9289   19.679   7.3242   23.917   10.098   11.677   2.4150   12.721   3.0036 -1.044013 3.854108 
1 1 1   20   19  -23 o   41.964   0.9642  237.978   10.868  228.944   13.940  251.975   17.353   41.068   1.2638   42.989   1.5029 -1.921143 1.963611 
1 1 1   20   19  -22 o   26.686   1.1168   96.437   8.0049  103.733   9.9033   82.686   13.596   27.628   1.3346   24.374   2.0972 3.254038 2.485852 
1 1 1   20   19  -21 o   25.750   1.3083   90.293   9.0191   92.730   11.483   86.371   14.571   25.990   1.6536   24.870   2.2041 1.119909 2.755447 
1 1 1   20   19  -20 o   26.465   1.1951   94.954   8.4953   97.020   10.258   90.443   15.158   26.658   1.4379   25.441   2.2412 1.217079 2.662792 
1 1 1   20   19  -19 o   21.648   1.2158   63.743   7.0406   78.293   9.2518   43.721   10.853   23.939   1.4457   17.586   2.3569 6.353338 2.764973 
1 1 1   20   19  -18 o   18.432   1.3796   46.437   6.7802   46.089   8.5668   47.023   11.093   18.260   1.7689   18.268   2.3126 -0.7383347E-02 2.911550 
1 1 1   20   19  -17 o   43.809   0.8798  259.020   10.352  267.634   13.638  247.312   15.900   44.456   1.1422   42.651   1.3880 1.805412 1.797530 
1 1 1   20   19  -16 o   20.358   1.3829   56.581   7.5170   57.574   10.419   55.502   10.856   20.384   1.9258   19.969   2.0533 0.4150620 2.815130 
1 1 1   20   19  -15 o   23.682   1.1674   75.952   7.4256   74.030   9.5139   78.948   11.878   23.262   1.5313   23.923   1.8633 -0.6603851 2.411745 
1 1 1   20   19  -14 f   30.404   1.0413  124.959   8.5033  127.461   11.988  122.426   12.064   30.611   1.4580   29.990   1.4977 0.6212864 2.090179 
1 1 1   20   19  -13 o   9.9521   2.6604   14.341   7.2483   8.2263   10.935   19.134   9.6805   8.7415   3.3411   11.420   3.0837 -2.678548 4.546715 
1 1 1   20   19  -12 o   28.067   1.2184  106.702   9.1849  105.942   12.345  107.645   13.746   27.818   1.6599   27.981   1.8393 -0.1633148 2.477539 
1 1 1   20   19  -11 o   26.280   1.0438   93.327   7.3680   97.555   10.013   88.335   10.881   26.769   1.3975   25.414   1.6023 1.354851 2.126082 
1 1 1   20   19  -10 o   23.202   1.2247   73.098   7.6049   82.977   11.168   64.558   10.384   24.604   1.7005   21.660   1.8013 2.943974 2.477157 
1 1 1   20   19   -9 o   31.181   1.0000  131.283   8.3748  128.266   12.203  133.968   11.515   30.722   1.4788   31.425   1.3642 -0.7030411 2.011954 
1 1 1   20   19   -8 o   16.966   1.4102   39.326   6.3678   39.237   8.7436   39.427   9.2923   16.811   1.9740   16.815   2.1035 -0.4539490E-02 2.884669 
1 1 1   20   19   -7 o   23.068   1.1183   71.931   6.9290   75.367   9.5955   68.188   10.016   23.498   1.5287   22.307   1.6842 1.190996 2.274512 
1 1 1   20   19   -6 o   34.492   0.8809  160.414   8.1611  159.699   11.366  161.175   11.725   34.349   1.2320   34.500   1.2653 -0.1510201 1.766046 
1 1 1   20   19   -5 o   23.369   1.0935   73.788   6.8635   66.544   9.5804   81.427   9.8378   22.053   1.6290   24.437   1.5062 -2.384474 2.218599 
1 1 1   20   19   -4 o   30.778   0.9868  127.845   8.1574  130.845   12.374  125.540   10.848   31.041   1.4842   30.439   1.3269 0.6019287 1.990885 
1 1 1   20   19   -3 o   9.7661   2.4594   13.700   6.4474   29.728   10.006   2.3206   8.4312   14.409   2.6841   6.8447   2.8261 7.564143 3.897639 
1 1 1   20   19   -2 o   16.447   1.7837   37.317   7.7530   42.575   11.481   32.909   10.511   17.363   2.5368   15.182   2.6755 2.180487 3.686943 
1 1 1   20   19   -1 o   12.120   2.1454   20.739   6.7281   23.225   9.1421   17.802   9.9376   12.682   2.7621   11.087   3.1750 1.595165 4.208303 
1 1 1   20   19    0 o   13.365   1.8120   24.802   6.3368   19.798   8.9688   29.790   8.9545   11.679   2.8778   14.517   2.3790 -2.837408 3.733816 
1 1 1   20   19    1 o   19.414   1.3072   51.272   6.7762   55.582   9.4897   46.788   9.6792   20.111   1.7750   18.382   1.9923 1.729071 2.668295 
1 1 1   20   19    2 o   32.914   0.9923  146.210   8.7724  145.806   12.167  146.648   12.660   32.793   1.3813   32.876   1.4337 -0.8241653E-01 1.990878 
1 1 1   20   19    3 o   13.951   2.1897   27.363   7.9348   32.768   11.291   22.089   11.153   15.079   2.8930   12.277   3.3079 2.802364 4.394515 
1 1 1   20   19    4 o   26.417   1.0903   94.287   7.7362   97.031   11.615   92.099   10.372   26.652   1.6303   26.000   1.4915 0.6527081 2.209638 
1 1 1   20   19    5 o   52.419   0.8426  370.358   11.863  364.533   17.489  375.322   16.144   51.891   1.2549   52.690   1.1408 -0.7989159 1.695891 
1 1 1   20   19    6 o   28.998   0.9675  113.473   7.5355  107.244   10.374  120.431   10.964   28.122   1.3734   29.801   1.3698 -1.679689 1.939754 
1 1 1   20   19    7 o   12.640   1.9132   22.332   6.2924   23.783   8.7237   20.758   9.0849   12.864   2.6139   11.949   2.8673 0.9151602 3.879905 
1 1 1   20   19    8 o   6.5519   2.4758   4.4509   5.9614   4.6673   8.1301   4.1992   8.7674   7.2636   2.8522   7.3434   2.9366 -0.7986212E-01 4.093673 
1 1 1   20   19    9 o   21.714   1.1767   63.981   6.8372   61.688   9.3833   66.578   9.9831   21.212   1.6602   22.030   1.7003 -0.8185749 2.376440 
1 1 1   20   19   10 o   28.213   0.9981  107.489   7.5636  110.894   10.363  103.608   11.064   28.591   1.3495   27.564   1.5001 1.026924 2.017780 
1 1 1   20   19   11 o   18.328   1.4595   45.936   7.1250   51.965   10.022   39.773   10.132   19.370   1.9529   16.816   2.3039 2.554470 3.020176 
1 1 1   20   19   12 o   62.889   0.8877  533.580   14.994  537.116   20.977  529.886   21.441   62.961   1.2404   62.519   1.2769 0.4416847 1.780195 
1 1 1   20   19   13 o   31.770   1.0992  136.525   9.3799  143.596   12.740  128.156   13.861   32.494   1.4597   30.587   1.6938 1.907087 2.236009 
1 1 1   20   19   14 f   35.069   0.9776  166.114   9.2079  165.760   13.105  166.460   12.940   34.926   1.3970   35.006   1.3763 -0.7964325E-01 1.961068 
1 1 1   20   19   15 o   22.837   1.3198   71.025   8.0610   61.792   11.614   79.606   11.197   21.077   2.0787   24.062   1.7444 -2.985027 2.713631 
1 1 1   20   19   16 o   34.816   1.0511  163.919   9.8294  179.136   14.826  151.987   13.129   36.258   1.5224   33.416   1.4628 2.841938 2.111325 
1 1 1   20   19   17 o   14.570   1.8600   29.579   7.1132   28.140   9.3958   31.511   10.887   13.978   2.5983   14.719   2.8570 -0.7412128 3.861807 
1 1 1   20   19   18 o   26.135   1.1406   92.507   8.0064   98.188   10.146   83.128   13.035   26.830   1.4129   24.488   1.9993 2.342022 2.448139 
1 1 1   20   19   19 o   38.883   0.8979  204.117   9.3778  205.414   12.607  202.510   14.032   38.924   1.2059   38.600   1.3534 0.3236504 1.812677 
1 1 1   20   19   20 o   21.416   1.3225   62.539   7.5703   70.385   9.5587   49.337   12.399   22.653   1.5809   18.621   2.5458 4.032410 2.996732 
1 1 1   20   19   21 o   6.5892   2.6074   3.6646   6.8438   3.1867   8.6662   4.4566   11.156   7.0545   2.8835   8.0053   3.2718 -0.9508400 4.361066 
1 1 1   20   19   22 o   41.329   0.9753  230.855   10.826  234.113   13.204  224.172   18.911   41.557   1.1829   40.446   1.7408 1.111015 2.104665 
1 1 1   20   19   23 o   12.435   2.4118   22.241   7.7647   17.441   10.180   28.919   12.007   10.899   3.2398   13.927   3.2663 -3.028247 4.600536 
1 1 1   20   19   24 o   4.0375   1.9490  -9.6524   6.3616 -16.6113   7.6296   6.2217   11.523   3.9630   1.9585   8.4207   3.3669 -4.457644 3.895045 
1 1 1   20   19   25 o   31.384   0.9761  133.166   8.2280  132.298   10.826  134.353   12.661   31.204   1.2917   31.381   1.5021 -0.1771584 1.981128 
1 1 1   20   19   26 o   35.242   0.9733  167.952   9.2127  173.480   12.633  161.672   13.465   35.716   1.3169   34.431   1.4560 1.284718 1.963159 
1 1 1   20   19   27 o   24.940   1.1681   84.405   7.8243   77.575   9.8929   95.813   12.786   23.766   1.5584   26.320   1.8198 -2.554506 2.395939 
1 1 1   20   19   28 o   15.895   1.9178   35.399   8.0224   40.772   12.806   31.928   10.292   16.634   2.9755   14.797   2.6887 1.837029 4.010301 
1 1 1   20   19   29 o   19.306   1.8931   52.065   9.6906   52.525   17.943   51.875   11.514   18.432   3.7519   19.105   2.2895 -0.6729374 4.395321 
1 1 1   20   19   30 o   21.166   1.8828   62.619   10.591   75.001   18.742   56.809   12.838   22.407   3.2054   19.883   2.4562 2.524250 4.038276 
1 1 1   20   19   31 o   8.4306   3.3348   7.4933   11.191   10.087   26.483   6.9295   12.348   11.174   4.8264   8.5562   3.4625 2.618034 5.939971 
1 1 1   20   19   32 o   12.437   3.8067   24.900   13.907   86.560   35.092   13.412   15.147   20.930   5.9570   10.098   3.9132 10.83165 7.127358 
1 1 1   20   19   33 o   17.611   3.1023   47.585   14.138   43.400   32.523   48.560   15.699   14.830   5.7378   17.540   3.4552 -2.709902 6.697814 
1 1 1   20   19   34 o   8.5162   3.8171  -0.1584   18.050   0.0000   0.0000  -0.1584   18.050  ?   ?    8.5162   3.8171 0.000000 3.817061 
1 1 1   20   19   35 o   19.605   4.9686   73.080   26.197   0.0000   0.0000   73.080   26.197  ?   ?    19.605   4.9686 0.000000 4.968558 
1 1 1   20   20    0 o   11.226   3.0175   17.986   9.2942   5.2447   13.915   28.247   12.488   9.0276   3.6678   13.994   3.3640 -4.966850 4.976821 
1 1 1   20   20    1 o   12.198   2.1791   21.124   6.8771   30.669   10.926   14.862   8.8501   14.517   2.9037   10.146   3.0219 4.370873 4.190866 
1 1 1   20   20    2 o   12.401   2.2678   21.908   7.2755   32.827   11.901   15.391   9.1936   14.973   3.0625   10.316   3.0817 4.657120 4.344643 
1 1 1   20   20    3 o   22.586   1.4181   69.613   8.5588   65.708   12.954   72.639   11.402   21.677   2.2581   22.942   1.8666 -1.265024 2.929661 
1 1 1   20   20    4 o   26.925   1.2016   98.228   8.6898  107.331   12.841   90.539   11.803   27.967   1.7179   25.676   1.7214 2.290375 2.431930 
1 1 1   20   20    5 o   10.650   2.3989   16.360   6.6969   19.836   9.7976   13.312   9.1747   11.606   3.0887   9.7116   3.1094 1.894346 4.382747 
1 1 1   20   20    6 o   9.2134   2.8468   12.047   7.7562   10.814   11.100   13.224   10.842   9.3293   3.4055   9.8640   3.3880 -0.5346994 4.803728 
1 1 1   20   20    7 o   18.519   1.4091   46.898   6.9562   53.326   9.5952   39.776   10.099   19.636   1.8408   16.791   2.2998 2.845402 2.945798 
1 1 1   20   20    8 f   13.627   1.8381   25.904   6.5560   16.545   8.7958   37.604   9.8341   10.636   2.9668   16.313   2.3090 -5.676782 3.759442 
1 1 1   20   20    9 o   27.492   1.0284  102.197   7.5937   96.717   10.193  109.032   11.383   26.623   1.4308   28.248   1.5057 -1.625063 2.077091 
1 1 1   20   20   10 o   23.746   1.1718   76.407   7.4733   79.964   9.8057   71.476   11.543   24.174   1.5179   22.725   1.9088 1.448488 2.438815 
1 1 1   20   20   11 o   44.672   0.9597  269.640   11.515  267.850   15.651  271.752   17.003   44.406   1.3122   44.686   1.4166 -0.2803192 1.930989 
1 1 1   20   20   12 o   17.946   1.4749   44.166   7.0464   43.502   9.2961   45.061   10.803   17.660   1.9948   17.870   2.3045 -0.2098160 3.047912 
1 1 1   20   20   13 o   12.355   2.0483   21.593   6.5592   16.430   8.5496   28.980   10.226   10.585   2.9147   14.103   2.7985 -3.518080 4.040699 
1 1 1   20   20   14 o   27.073   1.1010   99.249   8.0059   96.347   10.994  102.526   11.681   26.524   1.5500   27.348   1.5972 -0.8237686 2.225653 
1 1 1   20   20   15 o   38.853   1.0289  204.214   10.738  200.881   16.423  206.704   14.191   38.339   1.5948   38.985   1.3553 -0.6457062 2.092891 
1 1 1   20   20   16 o   10.665   2.6336   16.613   7.4989   26.569   9.9061   3.2514   11.476   13.471   2.8279   7.8614   3.2757 5.609647 4.327526 
1 1 1   20   20   17 f   7.3490   2.7540   6.0397   7.3437   2.3091   8.2956   19.554   15.789   6.7444   2.7955   11.707   4.0847 -4.962937 4.949688 
1 1 1   20   20   18 o   41.526   0.9546  233.074   10.647  246.112   13.951  214.888   16.477   42.586   1.2197   39.668   1.5465 2.918171 1.969602 
1 1 1   20   20   19 f   15.850   1.6726   34.764   7.0130   37.601   8.7752   29.749   11.667   16.379   2.0388   14.150   3.1509 2.229343 3.753002 
1 1 1   20   20   20 o   16.591   1.5622   37.924   6.8794   36.054   8.6861   41.071   11.268   16.023   2.0665   16.935   2.5569 -0.9124260 3.287569 
1 1 1   20   20   21 o   24.717   1.1685   82.858   7.7573   88.461   9.8588   73.751   12.569   25.433   1.4492   23.001   2.0562 2.431528 2.515617 
1 1 1   20   20   22 o   17.985   1.7749   44.852   8.4619   42.023   11.224   48.577   12.880   17.138   2.5130   18.371   2.6901 -1.232992 3.681294 
1 1 1   20   20   23 o   7.7689   2.5710   8.2341   6.2450   10.541   7.9775   4.5831   10.036   8.7287   2.9066   7.6988   3.1195 1.029945 4.263752 
1 1 1   20   20   24 o   9.0945   2.4599   12.037   6.1540   7.4593   7.7063   20.093   10.224   7.7931   2.8386   11.575   3.1874 -3.782360 4.268116 
1 1 1   20   20   25 o   13.561   2.3636   26.491   8.2961   22.586   14.006   28.602   10.297   12.159   3.8364   13.912   2.8515 -1.752631 4.780086 
1 1 1   20   20   26 o   16.907   1.9608   40.169   8.7388   41.640   12.617   38.814   12.115   16.803   2.9004   16.217   2.8872 0.5860252 4.092505 
1 1 1   20   20   27 o   9.8338   3.2564   14.078   10.018   2.5263   17.831   19.407   12.111   9.0783   3.9407   11.286   3.5682 -2.207558 5.316084 
1 1 1   20   20   28 o   5.8285   2.7482 -10.3282   11.184  -7.8900   29.258 -10.7454   12.103   10.027   4.6326   6.0844   2.8658 3.942672 5.447422 
1 1 1   20   20   29 o   15.881   2.8700   37.851   11.792   45.680   32.596   36.672   12.648   15.434   5.7985   15.466   3.1518 -0.3205585E-01 6.599696 
1 1 1   20   20   30 o   24.499   2.1812   85.887   14.203   54.110   34.408   92.414   15.593   16.143   5.9785   25.319   2.3187 -9.176601 6.412363 
1 1 1   20   20   31 o   22.437   2.5186   74.052   14.916   36.560   33.115   83.594   16.706   13.832   5.6432   23.729   2.6674 -9.897507 6.241855 
1 1 1   20   20   32 o   27.519   2.3814  110.803   17.428   96.780   30.597  117.537   21.204   22.555   5.1622   27.838   2.8773 -5.283245 5.909964 
1 1 1   21    0  -52 o   18.406   4.5217   56.807   19.358   56.807   19.358   56.807   19.358   18.406   4.5217   18.406   4.5217 0.000000 0.000000 
1 1 1   21    0  -51 o   6.9295   4.4031   4.5350   17.881   4.5350   17.881   4.5350   17.881   6.9295   4.4031   6.9295   4.4031 0.000000 0.000000 
1 1 1   21    0  -50 o   28.379   2.0852  111.675   15.697  111.675   15.697  111.675   15.697   28.379   2.0852   28.379   2.0852 0.000000 0.000000 
1 1 1   21    0  -49 o   57.852   1.5669  454.148   24.307  454.148   24.307  454.148   24.307   57.852   1.5669   57.852   1.5669 0.000000 0.000000 
1 1 1   21    0  -48 o   30.726   2.4354  131.364   19.809  131.364   19.809  131.364   19.809   30.726   2.4354   30.726   2.4354 0.000000 0.000000 
1 1 1   21    0  -47 o   9.5238   4.3637   18.498   12.189   18.498   12.189   18.498   12.189   9.5238   4.3637   9.5238   4.3637 0.000000 0.000000 
1 1 1   21    0  -46 o   24.002   3.6204   84.854   21.771   84.854   21.771   84.854   21.771   24.002   3.6204   24.002   3.6204 0.000000 0.000000 
1 1 1   21    0  -45 o   25.889   2.7849   94.802   18.798   94.802   18.798   94.802   18.798   25.889   2.7849   25.889   2.7849 0.000000 0.000000 
1 1 1   21    0  -44 o   5.4111   3.5803  -2.5959   13.594  -2.5959   13.594  -2.5959   13.594   5.4111   3.5803   5.4111   3.5803 0.000000 0.000000 
1 1 1   21    0  -43 o   9.2412   4.8466   17.667   15.874   17.667   15.874   17.667   15.874   9.2412   4.8466   9.2412   4.8466 0.000000 0.000000 
1 1 1   21    0  -42 o   34.825   1.6768  164.939   15.601  164.939   15.601  164.939   15.601   34.825   1.6768   34.825   1.6768 0.000000 0.000000 
1 1 1   21    0  -41 o   10.920   4.2831   22.489   12.033   22.489   12.033   22.489   12.033   10.920   4.2831   10.920   4.2831 0.000000 0.000000 
1 1 1   21    0  -40 o   14.302   3.5795   32.562   11.895   32.562   11.895   32.562   11.895   14.302   3.5795   14.302   3.5795 0.000000 0.000000 
1 1 1   21    0  -39 o   48.335   1.4927  315.710   19.336  315.710   19.336  315.710   19.336   48.335   1.4927   48.335   1.4927 0.000000 0.000000 
1 1 1   21    0  -38 f   16.824   2.8254   41.440   11.685   41.440   11.685   41.440   11.685   16.824   2.8254   16.824   2.8254 0.000000 0.000000 
1 1 1   21    0  -37 o   79.194   2.2218  849.701   47.176  849.701   47.176  849.701   47.176   79.194   2.2218   79.194   2.2218 0.000000 0.000000 
1 1 1   21    0  -36 o   40.246   1.4823  218.996   15.974  218.996   15.974  218.996   15.974   40.246   1.4823   40.246   1.4823 0.000000 0.000000 
1 1 1   21    0  -35 o   4.4225   2.9848  -4.6641   10.310  -4.6641   10.310  -4.6641   10.310   4.4225   2.9848   4.4225   2.9848 0.000000 0.000000 
1 1 1   21    0  -34 o   67.173   1.4381  608.101   25.920  608.101   25.920  608.101   25.920   67.173   1.4381   67.173   1.4381 0.000000 0.000000 
1 1 1   21    0  -33 o   45.834   1.9548  284.651   23.966  284.651   23.966  284.651   23.966   45.834   1.9548   45.834   1.9548 0.000000 0.000000 
1 1 1   21    0  -32 o   81.123   1.5123  886.365   32.924  886.365   32.924  886.365   32.924   81.123   1.5123   81.123   1.5123 0.000000 0.000000 
1 1 1   21    0  -31 o   56.390   1.3822  428.394   20.906  428.394   20.906  428.394   20.906   56.390   1.3822   56.390   1.3822 0.000000 0.000000 
1 1 1   21    0  -30 o   32.151   1.5441  139.989   13.264  139.989   13.264  139.989   13.264   32.151   1.5441   32.151   1.5441 0.000000 0.000000 
1 1 1   21    0  -29 o   24.515   1.8144   82.180   11.797   82.180   11.797   82.180   11.797   24.515   1.8144   24.515   1.8144 0.000000 0.000000 
1 1 1   21    0  -28 o   88.177   1.5421  1046.42   36.498  1046.42   36.498  1046.42   36.498   88.177   1.5421   88.177   1.5421 0.000000 0.000000 
1 1 1   21    0  -27 o   29.809   1.5794  120.470   12.564  120.470   12.564  120.470   12.564   29.809   1.5794   29.809   1.5794 0.000000 0.000000 
1 1 1   21    0  -26 o   92.930   1.5803  1162.04   39.418  1162.04   39.418  1162.04   39.418   92.930   1.5803   92.930   1.5803 0.000000 0.000000 
1 1 1   21    0  -25 o   6.6985   3.6849   8.3911   9.5864   8.3911   9.5864   8.3911   9.5864   6.6985   3.6849   6.6985   3.6849 0.000000 0.000000 
1 1 1   21    0  -24 o   40.921   1.9391  226.706   21.203  226.706   21.203  226.706   21.203   40.921   1.9391   40.921   1.9391 0.000000 0.000000 
1 1 1   21    0  -23 o   90.951   2.2169  1114.81   54.084  1114.81   54.084  1114.81   54.084   90.951   2.2169   90.951   2.2169 0.000000 0.000000 
1 1 1   21    0  -22 o   30.670   1.5343  127.363   12.567  127.363   12.567  127.363   12.567   30.670   1.5343   30.670   1.5343 0.000000 0.000000 
1 1 1   21    0  -21 o   79.379   1.4572  847.587   31.044  847.587   31.044  847.587   31.044   79.379   1.4572   79.379   1.4572 0.000000 0.000000 
1 1 1   21    0  -20 o   82.335   1.4777  911.803   32.654  911.803   32.654  911.803   32.654   82.335   1.4777   82.335   1.4777 0.000000 0.000000 
1 1 1   21    0  -19 f   68.783   1.3781  636.432   25.437  636.432   25.437  636.432   25.437   68.783   1.3781   68.783   1.3781 0.000000 0.000000 
1 1 1   21    0  -18 o   19.360   2.1795   52.271   10.964   52.271   10.964   52.271   10.964   19.360   2.1795   19.360   2.1795 0.000000 0.000000 
1 1 1   21    0  -17 o   56.230   1.8549  426.297   27.945  426.297   27.945  426.297   27.945   56.230   1.8549   56.230   1.8549 0.000000 0.000000 
1 1 1   21    0  -16 o   42.762   1.3247  246.358   15.182  246.358   15.182  246.358   15.182   42.762   1.3247   42.762   1.3247 0.000000 0.000000 
1 1 1   21    0  -15 o   7.0992   3.6578   9.9057   8.9244   9.9057   8.9244   9.9057   8.9244   7.0992   3.6578   7.0992   3.6578 0.000000 0.000000 
1 1 1   21    0  -14 o   75.924   1.4066  775.180   28.661  775.180   28.661  775.180   28.661   75.924   1.4066   75.924   1.4066 0.000000 0.000000 
1 1 1   21    0  -13 f  179.485   2.5325  4332.97  122.032  4332.97  122.032  4332.97  122.032  179.485   2.5325  179.485   2.5325 0.000000 0.000000 
1 1 1   21    0  -12 o   90.632   1.5268  1104.42   37.143  1104.42   37.143  1104.42   37.143   90.632   1.5268   90.632   1.5268 0.000000 0.000000 
1 1 1   21    0  -11 o  136.374   1.6263  2499.54   59.550  2499.54   59.550  2499.54   59.550  136.374   1.6263  136.374   1.6263 0.000000 0.000000 
1 1 1   21    0  -10 o   8.2697   2.5522   11.467   4.9606   11.467   4.9606   11.467   4.9606   8.2697   2.5522   8.2697   2.5522 0.000000 0.000000 
1 1 1   21    0   -9 o   53.531   0.9842  385.262   14.140  385.262   14.140  385.262   14.140   53.531   0.9842   53.531   0.9842 0.000000 0.000000 
1 1 1   21    0   -8 o  135.906   1.6241  2482.30   59.265  2482.30   59.265  2482.30   59.265  135.906   1.6241  135.906   1.6241 0.000000 0.000000 
1 1 1   21    0   -7 o   34.733   1.1593  162.572   10.788  162.572   10.788  162.572   10.788   34.733   1.1593   34.733   1.1593 0.000000 0.000000 
1 1 1   21    0   -6 o   2.8731   2.0018  -5.2747   5.5602  -5.2747   5.5602  -5.2747   5.5602   2.8731   2.0018   2.8731   2.0018 0.000000 0.000000 
1 1 1   21    0   -5 o   98.420   1.2821  1301.73   33.878  1301.73   33.878  1301.73   33.878   98.420   1.2821   98.420   1.2821 0.000000 0.000000 
1 1 1   21    0   -4 o   47.072   1.3390  298.348   16.898  298.348   16.898  298.348   16.898   47.072   1.3390   47.072   1.3390 0.000000 0.000000 
1 1 1   21    0   -3 o   87.961   1.1991  1039.79   28.317  1039.79   28.317  1039.79   28.317   87.961   1.1991   87.961   1.1991 0.000000 0.000000 
1 1 1   21    0   -2 o   98.602   1.4107  1306.71   37.344  1306.71   37.344  1306.71   37.344   98.602   1.4107   98.602   1.4107 0.000000 0.000000 
1 1 1   21    0   -1 o   60.793   1.4832  497.313   24.185  497.313   24.185  497.313   24.185   60.793   1.4832   60.793   1.4832 0.000000 0.000000 
1 1 1   21    0    0 o  143.673   2.0829  2775.02   80.339  2775.02   80.339  2775.02   80.339  143.673   2.0829  143.673   2.0829 0.000000 0.000000 
1 1 1   21    0    1 o  131.688   2.2548  2332.11   79.700  2332.11   79.700  2332.11   79.700  131.688   2.2548  131.688   2.2548 0.000000 0.000000 
1 1 1   21    0    2 o  200.803   3.2231  5424.66  173.734  5424.66  173.734  5424.66  173.734  200.803   3.2231  200.803   3.2231 0.000000 0.000000 
1 1 1   21    0    3 o   70.062   1.3405  660.061   25.204  660.061   25.204  660.061   25.204   70.062   1.3405   70.062   1.3405 0.000000 0.000000 
1 1 1   21    0    4 o   64.890   1.2931  566.249   22.517  566.249   22.517  566.249   22.517   64.890   1.2931   64.890   1.2931 0.000000 0.000000 
1 1 1   21    0    5 o   77.669   1.3882  811.065   28.938  811.065   28.938  811.065   28.938   77.669   1.3882   77.669   1.3882 0.000000 0.000000 
1 1 1   21    0    6 o   7.9875   3.4760   12.275   7.7292   12.275   7.7292   12.275   7.7292   7.9875   3.4760   7.9875   3.4760 0.000000 0.000000 
1 1 1   21    0    7 o   93.857   1.5463  1184.30   38.957  1184.30   38.957  1184.30   38.957   93.857   1.5463   93.857   1.5463 0.000000 0.000000 
1 1 1   21    0    8 o   76.194   1.3977  780.611   28.582  780.611   28.582  780.611   28.582   76.194   1.3977   76.194   1.3977 0.000000 0.000000 
1 1 1   21    0    9 o  192.009   2.1891  4955.85  112.863  4955.85  112.863  4955.85  112.863  192.009   2.1891  192.009   2.1891 0.000000 0.000000 
1 1 1   21    0   10 o  116.541   1.4522  1825.30   45.440  1825.30   45.440  1825.30   45.440  116.541   1.4522  116.541   1.4522 0.000000 0.000000 
1 1 1   21    0   11 o  269.382   3.2800  9763.26  237.243  9763.26  237.243  9763.26  237.243  269.382   3.2800  269.382   3.2800 0.000000 0.000000 
1 1 1   21    0   12 o   37.553   1.5541  190.418   15.614  190.418   15.614  190.418   15.614   37.553   1.5541   37.553   1.5541 0.000000 0.000000 
1 1 1   21    0   13 f   27.077   1.4486   99.332   10.466   99.332   10.466   99.332   10.466   27.077   1.4486   27.077   1.4486 0.000000 0.000000 
1 1 1   21    0   14 o   94.152   1.3880  1191.62   35.083  1191.62   35.083  1191.62   35.083   94.152   1.3880   94.152   1.3880 0.000000 0.000000 
1 1 1   21    0   15 o   26.855   1.5929   97.911   11.397   97.911   11.397   97.911   11.397   26.855   1.5929   26.855   1.5929 0.000000 0.000000 
1 1 1   21    0   16 o   46.474   1.1292  290.633   14.076  290.633   14.076  290.633   14.076   46.474   1.1292   46.474   1.1292 0.000000 0.000000 
1 1 1   21    0   17 o   36.274   1.2159  177.351   11.816  177.351   11.816  177.351   11.816   36.274   1.2159   36.274   1.2159 0.000000 0.000000 
1 1 1   21    0   18 o  216.728   2.6813  6321.02  156.028  6321.02  156.028  6321.02  156.028  216.728   2.6813  216.728   2.6813 0.000000 0.000000 
1 1 1   21    0   19 f   7.5813   3.6384   11.369   8.5479   11.369   8.5479   11.369   8.5479   7.5813   3.6384   7.5813   3.6384 0.000000 0.000000 
1 1 1   21    0   20 o   35.032   1.3868  165.675   13.003  165.675   13.003  165.675   13.003   35.032   1.3868   35.032   1.3868 0.000000 0.000000 
1 1 1   21    0   21 o  124.095   1.8811  2071.70   62.666  2071.70   62.666  2071.70   62.666  124.095   1.8811  124.095   1.8811 0.000000 0.000000 
1 1 1   21    0   22 o   80.495   1.4487  871.592   31.298  871.592   31.298  871.592   31.298   80.495   1.4487   80.495   1.4487 0.000000 0.000000 
1 1 1   21    0   23 o   19.589   1.6025   52.606   8.3018   52.606   8.3018   52.606   8.3018   19.589   1.6025   19.589   1.6025 0.000000 0.000000 
1 1 1   21    0   24 o   25.948   1.2716   91.127   8.8140   91.127   8.8140   91.127   8.8140   25.948   1.2716   25.948   1.2716 0.000000 0.000000 
1 1 1   21    0   25 o   83.606   1.1923  939.829   26.763  939.829   26.763  939.829   26.763   83.606   1.1923   83.606   1.1923 0.000000 0.000000 
1 1 1   21    0   26 o   56.899   1.1371  435.553   17.362  435.553   17.362  435.553   17.362   56.899   1.1371   56.899   1.1371 0.000000 0.000000 
1 1 1   21    0   27 o   72.413   1.1308  705.140   21.982  705.140   21.982  705.140   21.982   72.413   1.1308   72.413   1.1308 0.000000 0.000000 
1 1 1   21    0   28 o   53.674   1.0549  387.567   15.195  387.567   15.195  387.567   15.195   53.674   1.0549   53.674   1.0549 0.000000 0.000000 
1 1 1   21    0   29 o   48.240   1.0671  313.178   13.811  313.178   13.811  313.178   13.811   48.240   1.0671   48.240   1.0671 0.000000 0.000000 
1 1 1   21    0   30 o  101.434   1.3463  1384.07   36.665  1384.07   36.665  1384.07   36.665  101.434   1.3463  101.434   1.3463 0.000000 0.000000 
1 1 1   21    0   31 o   56.309   1.0792  426.642   16.308  426.642   16.308  426.642   16.308   56.309   1.0792   56.309   1.0792 0.000000 0.000000 
1 1 1   21    0   32 o   99.023   1.3335  1319.49   35.453  1319.49   35.453  1319.49   35.453   99.023   1.3335   99.023   1.3335 0.000000 0.000000 
1 1 1   21    0   33 o   71.516   1.2695  688.539   24.368  688.539   24.368  688.539   24.368   71.516   1.2695   71.516   1.2695 0.000000 0.000000 
1 1 1   21    0   34 o   35.325   1.1847  168.392   11.212  168.392   11.212  168.392   11.212   35.325   1.1847   35.325   1.1847 0.000000 0.000000 
1 1 1   21    0   35 o   42.717   1.1375  245.937   13.030  245.937   13.030  245.937   13.030   42.717   1.1375   42.717   1.1375 0.000000 0.000000 
1 1 1   21    0   36 o   60.048   1.2621  485.831   20.335  485.831   20.335  485.831   20.335   60.048   1.2621   60.048   1.2621 0.000000 0.000000 
1 1 1   21    0   37 o   5.1085   3.1710   2.4648   8.7121   2.4648   8.7121   2.4648   8.7121   5.1085   3.1710   5.1085   3.1710 0.000000 0.000000 
1 1 1   21    0   38 f   31.514   1.3439  134.433   11.328  134.433   11.328  134.433   11.328   31.514   1.3439   31.514   1.3439 0.000000 0.000000 
1 1 1   21    0   39 o   16.828   2.1081   40.023   9.1232   40.023   9.1232   40.023   9.1232   16.828   2.1081   16.828   2.1081 0.000000 0.000000 
1 1 1   21    0   40 o   18.404   2.0096   47.381   9.6329   47.381   9.6329   47.381   9.6329   18.404   2.0096   18.404   2.0096 0.000000 0.000000 
1 1 1   21    0   41 o   14.570   3.0625   32.394   10.552   32.394   10.552   32.394   10.552   14.570   3.0625   14.570   3.0625 0.000000 0.000000 
1 1 1   21    0   42 o   17.106   3.0803   43.549   12.789   43.549   12.789   43.549   12.789   17.106   3.0803   17.106   3.0803 0.000000 0.000000 
1 1 1   21    0   43 o   30.603   1.5694  127.459   12.822  127.459   12.822  127.459   12.822   30.603   1.5694   30.603   1.5694 0.000000 0.000000 
1 1 1   21    0   44 o   5.2106   3.2578   2.4084   9.3634   2.4084   9.3634   2.4084   9.3634   5.2106   3.2578   5.2106   3.2578 0.000000 0.000000 
1 1 1   21    0   45 o   7.6744   3.8183   12.069   9.5411   12.069   9.5411   12.069   9.5411   7.6744   3.8183   7.6744   3.8183 0.000000 0.000000 
1 1 1   21    0   46 o   35.826   1.3337  173.908   12.793  173.908   12.793  173.908   12.793   35.826   1.3337   35.826   1.3337 0.000000 0.000000 
1 1 1   21    0   47 o   35.012   1.3615  166.218   12.759  166.218   12.759  166.218   12.759   35.012   1.3615   35.012   1.3615 0.000000 0.000000 
1 1 1   21    0   48 o   16.879   2.4439   41.200   10.403   41.200   10.403   41.200   10.403   16.879   2.4439   16.879   2.4439 0.000000 0.000000 
1 1 1   21    0   49 o   12.868   3.9543   28.605   11.951   28.605   11.951   28.605   11.951   12.868   3.9543   12.868   3.9543 0.000000 0.000000 
1 1 1   21    0   50 o   28.332   2.2422  111.854   16.817  111.854   16.817  111.854   16.817   28.332   2.2422   28.332   2.2422 0.000000 0.000000 
1 1 1   21    0   51 o   27.769   2.0788  107.305   15.305  107.305   15.305  107.305   15.305   27.769   2.0788   27.769   2.0788 0.000000 0.000000 
1 1 1   21    0   52 o   30.881   1.8885  131.985   15.530  131.985   15.530  131.985   15.530   30.881   1.8885   30.881   1.8885 0.000000 0.000000 
1 1 1   21    0   53 f   4.1992   2.9520 -12.4834   12.896 -12.4834   12.896 -12.4834   12.896   4.1992   2.9520   4.1992   2.9520 0.000000 0.000000 
1 1 1   21    0   54 o   6.8785   3.8058   10.234   10.293   10.234   10.293   10.234   10.293   6.8785   3.8058   6.8785   3.8058 0.000000 0.000000 
1 1 1   21    0   55 o   8.2334   4.4989   16.151   14.179   16.151   14.179   16.151   14.179   8.2334   4.4989   8.2334   4.4989 0.000000 0.000000 
1 1 1   21    1  -52 o   7.8955   3.8766 -47.5800   28.317   0.0000   0.0000 -47.5800   28.317  ?   ?    7.8955   3.8766 0.000000 3.876575 
1 1 1   21    1  -51 o   9.9552   3.6232   12.557   12.552  -8.0729   17.801   32.957   17.701   8.1224   3.7005   14.651   4.2497 -6.528745 5.635043 
1 1 1   21    1  -50 o   26.287   1.9174   95.058   13.444   94.718   18.096   95.477   20.087   25.972   2.6303   25.942   2.9344 0.3015900E-01 3.940656 
1 1 1   21    1  -49 o   20.694   1.8193   58.813   10.009   49.242   13.899   69.125   14.427   18.607   2.8736   22.259   2.4539 -3.651567 3.778793 
1 1 1   21    1  -48 o   15.967   2.2391   35.582   9.3385   25.792   13.150   45.542   13.264   13.278   3.5977   17.917   2.8519 -4.638252 4.590918 
1 1 1   21    1  -47 o   16.483   2.1777   37.761   9.4051   27.236   13.328   48.200   13.274   13.656   3.5873   18.491   2.7569 -4.834399 4.524292 
1 1 1   21    1  -46 o   21.388   2.0343   62.924   11.546   47.410   17.792   74.211   15.175   18.006   3.7984   23.118   2.4829 -5.111753 4.537875 
1 1 1   21    1  -45 o   48.261   1.2401  314.578   16.075  271.996   25.909  341.229   20.497   44.618   2.1619   50.192   1.5204 -5.573887 2.643035 
1 1 1   21    1  -44 o   11.416   3.1386   18.705   9.9227   34.117   16.049   9.1669   12.625   15.239   3.9036   9.4171   3.5923 5.822201 5.304920 
1 1 1   21    1  -43 o   30.369   1.6023  125.302   13.023  125.063   19.776  125.485   17.305   30.104   2.4674   30.254   2.1435 -0.1500912 3.268435 
1 1 1   21    1  -42 o   24.478   1.6377   81.530   10.705   86.876   13.932   73.821   16.728   25.174   2.0790   23.007   2.7622 2.166883 3.457137 
1 1 1   21    1  -41 o   40.477   1.1122  220.848   12.092  228.869   16.890  212.413   17.319   41.137   1.5286   39.612   1.6278 1.525085 2.233038 
1 1 1   21    1  -40 f   49.250   1.1194  326.867   14.807  340.281   22.293  316.277   19.808   50.147   1.6551   48.374   1.5245 1.773453 2.250269 
1 1 1   21    1  -39 o   17.489   1.8933   41.924   8.7516   46.120   12.314   37.643   12.440   18.203   2.5919   16.327   2.9452 1.876055 3.923245 
1 1 1   21    1  -38 o   8.1384   2.8615   8.0371   7.7556   3.4196   10.616   13.322   11.357   7.8385   3.1963   10.177   3.4681 -2.338549 4.716325 
1 1 1   21    1  -37 f   46.448   1.0260  290.418   12.800  300.070   18.247  281.066   17.960   47.159   1.4406   45.638   1.4652 1.521408 2.054756 
1 1 1   21    1  -36 o   11.263   3.3235   17.738   10.744   13.429   15.615   21.611   14.806   10.925   4.0311   12.521   3.9438 -1.596756 5.639480 
1 1 1   21    1  -35 o   32.403   1.1573  141.392   10.072  147.331   14.336  135.602   14.155   33.034   1.6157   31.642   1.6714 1.391397 2.324696 
1 1 1   21    1  -34 o   35.825   1.0874  172.747   10.463  193.843   15.041  152.963   14.565   37.913   1.4770   33.666   1.6108 4.247452 2.185488 
1 1 1   21    1  -33 o   59.323   0.9990  473.453   15.917  469.983   22.471  476.947   22.549   59.053   1.4167   59.489   1.4112 -0.4366875 1.999684 
1 1 1   21    1  -32 o  100.200   1.6553  1354.31   44.548  1341.74   62.676  1367.14   63.331   99.514   2.3449  100.450   2.3473 -0.9363174 3.317926 
1 1 1   21    1  -31 o   44.769   1.0111  269.563   12.158  266.746   17.041  272.484   17.351   44.502   1.4257   44.977   1.4363 -0.4750977 2.023710 
1 1 1   21    1  -30 o   15.139   1.9180   31.415   7.6242   24.811   10.733   38.143   10.832   13.250   3.0750   16.604   2.5071 -3.353301 3.967542 
1 1 1   21    1  -29 o   27.259   1.1911   99.953   8.7208   97.804   12.261  102.154   12.407   26.887   1.7066   27.483   1.6889 -0.5958328 2.401058 
1 1 1   21    1  -28 o   59.872   0.9717  481.891   15.627  489.288   22.302  474.756   21.903   60.299   1.3770   59.397   1.3729 0.9018326 1.944489 
1 1 1   21    1  -27 o   77.186   1.0259  800.926   21.268  785.833   29.852  816.484   30.307   76.415   1.4544   77.892   1.4486 -1.476677 2.052790 
1 1 1   21    1  -26 o   94.293   1.1274  1195.43   28.552  1193.45   40.359  1197.42   40.397   94.160   1.5958   94.316   1.5947 -0.1566925 2.256022 
1 1 1   21    1  -25 o   32.472   1.1383  141.766   9.9278  126.960   12.662  165.391   15.994   30.716   1.5348   35.050   1.6990 -4.334049 2.289590 
1 1 1   21    1  -24 o   28.236   1.1322  107.181   8.5863  109.461   12.073  104.848   12.214   28.477   1.5848   27.863   1.6393 0.6134815 2.280050 
1 1 1   21    1  -23 o   68.694   1.2425  634.479   22.925  593.035   35.048  665.468   30.307   66.354   1.9666   70.324   1.6045 -3.970245 2.538086 
1 1 1   21    1  -22 o   84.723   1.4985  965.537   34.101  928.121   47.428  1005.58   49.065   82.997   2.1275   86.393   2.1145 -3.395752 2.999564 
1 1 1   21    1  -21 o   62.587   0.9538  526.381   16.033  532.221   22.691  520.557   22.659   62.915   1.3428   62.221   1.3558 0.6939697 1.908243 
1 1 1   21    1  -20 o  147.273   1.5209  2917.02   60.161  2886.79   84.564  2947.99   85.606  146.402   2.1505  147.945   2.1543 -1.542892 3.043988 
1 1 1   21    1  -19 f   20.444   1.3565   56.436   7.4065   63.181   10.346   49.347   10.607   21.595   1.8002   19.028   2.1110 2.566965 2.774327 
1 1 1   21    1  -18 o  123.257   1.3235  2042.18   43.816  2037.04   61.873  2047.35   62.058  123.044   1.8722  123.354   1.8731 -0.3108978 2.648289 
1 1 1   21    1  -17 o  154.814   1.5813  3222.73   65.752  3225.98   93.032  3219.48   92.943  154.796   2.2376  154.640   2.2377 0.1559448 3.164508 
1 1 1   21    1  -16 o   98.329   1.6009  1299.99   42.281  1298.96   59.834  1301.02   59.755   98.232   2.2678   98.310   2.2630 -0.7820892E-01 3.203730 
1 1 1   21    1  -15 o   97.364   1.3073  1274.01   34.188  1248.48   58.336  1287.37   42.193   96.314   2.2550   97.855   1.6053 -1.540810 2.768083 
1 1 1   21    1  -14 o   74.216   0.9828  739.983   19.590  725.361   27.406  755.262   28.014   73.465   1.3889   74.964   1.3913 -1.498802 1.965921 
1 1 1   21    1  -13 o  100.085   1.1404  1345.90   30.657  1331.58   43.090  1360.57   43.626   99.528   1.6119  100.605   1.6145 -1.077621 2.281388 
1 1 1   21    1  -12 o   39.578   0.8355  210.411   8.8811  205.472   11.345  218.228   14.272   39.107   1.0801   40.299   1.3186 -1.191647 1.704498 
1 1 1   21    1  -11 o  151.027   1.2518  3064.73   50.779  3058.10   71.715  3071.41   71.909  150.824   1.7703  151.152   1.7712 -0.3277588 2.504251 
1 1 1   21    1  -10 o  106.608   0.9546  1526.74   27.335  1539.45   38.824  1514.26   38.492  107.036   1.3505  106.156   1.3500 0.8794403 1.909510 
1 1 1   21    1   -9 o  123.199   1.0633  2039.02   35.185  2045.38   49.863  2032.72   49.656  123.370   1.5048  122.988   1.5032 0.3822250 2.126964 
1 1 1   21    1   -8 o   66.719   0.7413  597.908   13.285  607.998   18.936  588.129   18.643   67.275   1.0479   66.166   1.0490 1.108406 1.482769 
1 1 1   21    1   -7 o   55.496   0.7911  413.682   11.792  390.033   16.433  438.783   16.930   53.882   1.1355   57.151   1.1029 -3.268764 1.582961 
1 1 1   21    1   -6 o   67.249   0.8283  607.447   14.961  613.458   21.289  601.582   21.029   67.574   1.1729   66.917   1.1700 0.6572113 1.656705 
1 1 1   21    1   -5 o  198.445   1.5903  5292.15   84.762  5336.12  120.514  5249.12  119.240  199.201   2.2524  197.572   2.2470 1.629913 3.181592 
1 1 1   21    1   -4 o  100.895   1.0122  1367.47   27.430  1374.42   38.819  1360.53   38.764  101.138   1.4290  100.626   1.4343 0.5125656 2.024641 
1 1 1   21    1   -3 o  112.667   0.9965  1705.17   30.155  1724.66   42.921  1686.17   42.377  113.295   1.4105  112.024   1.4084 1.271248 1.993248 
1 1 1   21    1   -2 o   99.704   1.0051  1335.34   26.916  1347.54   38.319  1323.47   37.815  100.145   1.4246   99.247   1.4186 0.8982544 2.010437 
1 1 1   21    1   -1 o  120.129   1.0919  1938.59   35.230  1919.44   47.447  1962.12   52.595  119.520   1.4780  120.834   1.6206 -1.314804 2.193340 
1 1 1   21    1    0 o  119.425   1.0869  1915.92   34.863  1905.43   51.502  1924.80   47.366  119.076   1.6103  119.686   1.4734 -0.6099243 2.182663 
1 1 1   21    1    1 o   47.472   0.8985  302.706   11.456  289.381   18.940  310.394   14.387   46.407   1.5195   48.068   1.1143 -1.661728 1.884338 
1 1 1   21    1    2 o  208.902   1.9253  5866.13  108.030  5814.91  161.214  5907.87  145.539  207.868   2.8875  209.566   2.5856 -1.698288 3.875986 
1 1 1   21    1    3 o   75.524   1.0476  766.222   21.250  807.914   41.456  751.362   24.749   77.524   1.9909   74.784   1.2321 2.739311 2.341369 
1 1 1   21    1    4 o   68.308   0.8835  626.753   16.210  613.111   24.106  638.014   21.901   67.552   1.3286   68.914   1.1832 -1.361450 1.779080 
1 1 1   21    1    5 o   73.357   0.9023  722.832   17.778  716.205   26.579  728.197   23.915   73.010   1.3554   73.622   1.2094 -0.6122894 1.816529 
1 1 1   21    1    6 o   97.493   1.0513  1276.84   27.528  1290.29   41.528  1266.29   36.766   97.987   1.5779   97.078   1.4101 0.9091263 2.116139 
1 1 1   21    1    7 o  134.615   1.4038  2434.92   50.757  2434.62   71.829  2435.23   71.733  134.570   1.9873  134.586   1.9844 -0.1696777E-01 2.808389 
1 1 1   21    1    8 o  104.048   1.0406  1454.33   29.081  1493.27   41.704  1417.49   40.572  105.415   1.4729  102.705   1.4708 2.709473 2.081503 
1 1 1   21    1    9 o  107.705   1.0656  1558.42   30.826  1556.91   43.563  1559.93   43.628  107.635   1.5069  107.739   1.5076 -0.1040955 2.131561 
1 1 1   21    1   10 o   48.680   0.9177  318.329   11.999  310.814   16.618  326.516   17.344   48.096   1.2864   49.295   1.3099 -1.199440 1.835994 
1 1 1   21    1   11 o   47.644   0.8123  304.909   10.395  310.358   14.814  299.624   14.590   48.062   1.1476   47.224   1.1503 0.8384361 1.624812 
1 1 1   21    1   12 o  104.780   1.1662  1475.10   32.821  1486.79   46.618  1463.62   46.217  105.169   1.6503  104.346   1.6491 0.8229141 2.333009 
1 1 1   21    1   13 o  107.207   1.0676  1544.16   30.741  1529.56   43.245  1559.07   43.709  106.677   1.5093  107.701   1.5110 -1.024178 2.135653 
1 1 1   21    1   14 o  124.791   1.1877  2092.53   39.810  2105.32   56.455  2079.89   56.145  125.137   1.6797  124.379   1.6806 0.7582397 2.376095 
1 1 1   21    1   15 o   71.396   0.8610  684.781   16.510  678.510   23.299  691.107   23.399   71.057   1.2208   71.714   1.2148 -0.6568069 1.722194 
1 1 1   21    1   16 o   45.129   0.8031  273.586   9.7347  269.149   13.680  278.138   13.856   44.754   1.1380   45.496   1.1339 -0.7413139 1.606478 
1 1 1   21    1   17 o   85.099   0.8875  972.932   20.285  966.232   30.061  978.532   27.486   84.786   1.3201   85.330   1.1993 -0.5444260 1.783477 
1 1 1   21    1   18 o   60.590   0.7827  493.179   12.738  486.443   18.931  498.751   17.219   60.162   1.1715   60.923   1.0523 -0.7607231 1.574709 
1 1 1   21    1   19 f   87.381   0.9028  1025.90   21.188  1023.95   31.478  1027.50   28.650   87.273   1.3429   87.432   1.2200 -0.1591873 1.814283 
1 1 1   21    1   20 o  157.044   1.3623  3315.95   57.464  3398.08   86.592  3251.32   76.816  158.864   2.0294  155.431   1.8400 3.432800 2.739350 
1 1 1   21    1   21 o  131.726   1.3085  2332.96   46.297  2302.01   69.090  2358.19   62.371  130.755   1.9673  132.376   1.7542 -1.621063 2.635818 
1 1 1   21    1   22 o   44.920   0.7856  271.108   9.4788  282.578   14.319  262.160   12.647   45.849   1.1627   44.165   1.0661 1.684040 1.577518 
1 1 1   21    1   23 o   31.881   0.8645  136.579   7.4028  133.109   11.048  139.406   9.9729   31.462   1.3074   32.202   1.1530 -0.7403336 1.743175 
1 1 1   21    1   24 o   48.679   0.8724  318.434   11.407  327.959   17.378  311.224   15.120   49.383   1.3102   48.113   1.1700 1.269650 1.756559 
1 1 1   21    1   25 o   54.592   0.7950  400.451   11.657  408.868   16.594  392.252   16.379   55.148   1.1203   54.015   1.1290 1.132671 1.590480 
1 1 1   21    1   26 o   39.998   0.7609  214.971   8.1746  209.136   11.484  220.964   11.639   39.441   1.0840   40.542   1.0689 -1.100567 1.522362 
1 1 1   21    1   27 o   33.554   0.8330  151.299   7.5071  147.790   10.837  154.536   10.409   33.149   1.2172   33.900   1.1432 -0.7509842 1.669846 
1 1 1   21    1   28 o   28.376   0.8707  108.224   6.6362  108.317   9.4017  108.132   9.3684   28.377   1.2335   28.353   1.2302 0.2413368E-01 1.742127 
1 1 1   21    1   29 o   23.787   0.9723   76.074   6.2119   86.486   8.7819   65.649   8.7879   25.319   1.2957   22.030   1.4940 3.288631 1.977584 
1 1 1   21    1   30 o   27.113   0.9072   98.827   6.6065  100.294   9.2753   97.315   9.4121   27.299   1.2650   26.889   1.3032 0.4101868 1.816183 
1 1 1   21    1   31 o   90.415   0.8908  1099.13   21.632  1107.04   30.730  1091.36   30.457   90.688   1.2616   90.043   1.2593 0.6442642 1.782575 
1 1 1   21    1   32 o   89.999   0.9829  1089.46   23.760  1093.62   33.646  1085.33   33.558   90.100   1.3903   89.758   1.3920 0.3422699 1.967393 
1 1 1   21    1   33 o   13.491   1.7373   24.973   6.1489   15.956   9.1336   32.447   8.3156   10.678   3.0391   15.350   2.0697 -4.671924 3.676864 
1 1 1   21    1   34 o   13.963   1.6968   26.709   6.2330   23.316   9.4631   29.309   8.2837   12.835   2.8218   14.549   2.1875 -1.713860 3.570379 
1 1 1   21    1   35 o   61.066   0.8161  501.486   13.386  498.299   19.346  504.413   18.539   60.826   1.1842   61.207   1.1277 -0.3801346 1.635252 
1 1 1   21    1   36 o   28.110   0.9917  106.342   7.4876  106.814   10.459  105.847   10.725   28.144   1.3836   27.976   1.4320 0.1678905 1.991216 
1 1 1   21    1   37 f   54.444   0.8517  398.722   12.455  401.227   16.649  395.539   18.770   54.580   1.1357   54.169   1.2901 0.4111595 1.718743 
1 1 1   21    1   38 o   41.894   0.8449  236.102   9.5074  228.721   12.954  244.719   13.997   41.201   1.1706   42.611   1.2230 -1.410118 1.692926 
1 1 1   21    1   39 o   14.700   1.7321   29.637   6.7076   22.283   8.7895   39.891   10.379   12.534   2.6912   16.963   2.3404 -4.429110 3.566532 
1 1 1   21    1   40 f   44.152   0.8887  262.364   10.539  263.451   13.945  260.917   16.095   44.207   1.1745   43.965   1.3630 0.2420654 1.799194 
1 1 1   21    1   41 o   27.324   1.0975  100.630   8.0544   89.652   10.740  114.740   12.176   25.696   1.5635   29.081   1.5646 -3.385090 2.211916 
1 1 1   21    1   42 o   24.786   1.4681   83.372   9.7299   79.089   13.913   87.473   13.612   23.986   2.1834   25.275   2.0221 -1.288544 2.975952 
1 1 1   21    1   43 o   28.399   1.1209  108.786   8.5497  110.450   12.846  107.462   11.456   28.489   1.6863   28.134   1.5217 0.3546467 2.271314 
1 1 1   21    1   44 o   50.621   0.8520  345.038   11.584  352.140   16.486  338.110   16.282   51.073   1.2018   50.043   1.2113 1.029816 1.706343 
1 1 1   21    1   45 o   28.218   1.0924  107.411   8.2799  105.416   12.093  109.171   11.361   27.835   1.6246   28.355   1.4970 -0.5204487 2.209104 
1 1 1   21    1   46 o   23.075   1.2160   72.102   7.5099   73.600   10.571   70.576   10.671   23.223   1.7067   22.726   1.7619 0.4968033 2.452986 
1 1 1   21    1   47 o   14.806   1.7763   30.209   6.9228   31.583   9.6701   28.766   9.9151   14.970   2.4926   14.219   2.6948 0.7512159 3.670852 
1 1 1   21    1   48 o   19.214   1.5949   50.435   8.1563   41.186   12.422   57.446   10.814   17.032   2.8136   20.421   1.9971 -3.389492 3.450328 
1 1 1   21    1   49 o   38.263   1.1956  197.909   12.287  192.876   20.130  200.898   15.512   37.502   2.0058   38.479   1.5009 -0.9770164 2.505162 
1 1 1   21    1   50 o   14.216   2.2882   28.525   8.4405   16.200   11.579   42.498   12.330   10.740   3.4982   17.262   2.7517 -6.521351 4.450783 
1 1 1   21    1   51 o   27.930   1.5081  106.517   11.271  121.067   14.549   84.676   17.825   29.667   1.8349   24.410   2.7677 5.257261 3.320688 
1 1 1   21    1   52 o   14.716   2.3985   30.951   9.1536   31.154   10.568   30.341   18.318   14.620   2.7930   13.975   4.3842 0.6452284 5.198314 
1 1 1   21    1   53 o   24.213   1.4828   80.441   9.5968   68.681   12.185   99.655   15.575   22.139   2.0732   26.636   2.1966 -4.497337 3.020497 
1 1 1   21    1   54 o   10.218   3.3444   15.396   10.579   41.671   17.697   0.7873   13.196   16.096   4.0862   7.8125   3.3906 8.283214 5.309737 
1 1 1   21    1   55 o   11.127   2.8512   18.745   8.5597   12.773   12.823   23.544   11.496   9.7384   3.6412   12.279   3.3792 -2.541032 4.967595 
1 1 1   21    2  -51 o   6.8309   3.2535 -18.2516   16.450   0.0000   0.0000 -18.2516   16.450  ?   ?    6.8309   3.2535 0.000000 3.253471 
1 1 1   21    2  -50 o   6.7997   3.0719  -5.1387   11.956  -6.5670   16.044  -3.3554   17.928   7.8348   3.5473   8.6682   3.8499 -0.8334165 5.235018 
1 1 1   21    2  -49 o   16.197   2.6805   37.362   11.254   36.447   14.226   38.893   18.397   15.732   3.4607   16.021   4.2175 -0.2895231 5.455614 
1 1 1   21    2  -48 o   8.6366   3.4108   6.5286   11.689   16.682   16.697  -3.2314   16.370   11.491   4.1793   8.3772   3.7017 3.113457 5.582955 
1 1 1   21    2  -47 o   10.599   3.0804   16.027   9.2923   33.946   13.392  -0.6100   12.904   15.277   3.3556   7.7774   3.3641 7.499328 4.751583 
1 1 1   21    2  -46 o   35.753   1.2220  172.664   11.735  186.691   16.889  159.572   16.317   37.078   1.6959   34.215   1.7817 2.862709 2.459765 
1 1 1   21    2  -45 o   30.421   1.5708  125.773   12.791  121.650   15.552  134.389   22.484   29.820   1.9525   31.090   2.7199 -1.269539 3.348202 
1 1 1   21    2  -44 o   17.220   2.2836   41.267   10.302   60.086   16.963   30.271   12.967   20.554   3.1749   14.429   3.4013 6.124517 4.652886 
1 1 1   21    2  -43 o   12.084   3.0806   21.050   10.028   29.046   15.867   15.731   12.941   14.094   4.0036   10.878   3.7020 3.215804 5.452859 
1 1 1   21    2  -42 o   5.9326   2.7056  -5.7913   9.5463 -17.8907   16.121   0.7425   11.847   6.8961   3.2661   7.6951   3.2738 -0.7990150 4.624394 
1 1 1   21    2  -41 o   22.078   1.7872   66.561   10.507   71.801   13.305   57.879   17.126   22.843   2.1956   20.179   3.2718 2.663488 3.940192 
1 1 1   21    2  -40 o   8.1671   2.9178   7.9400   8.0947   1.6138   11.478   14.200   11.417   7.7483   3.2556   10.364   3.4775 -2.616012 4.763605 
1 1 1   21    2  -39 o   37.357   1.1199  188.064   11.237  192.261   16.019  183.998   15.766   37.707   1.5817   36.886   1.5914 0.8207245 2.243720 
1 1 1   21    2  -38 o   44.104   1.0464  261.962   12.396  275.218   17.640  249.031   17.422   45.147   1.4547   42.936   1.5107 2.210705 2.097289 
1 1 1   21    2  -37 o   53.267   1.0172  381.998   14.553  390.159   20.511  373.726   20.651   53.770   1.4203   52.618   1.4613 1.151981 2.037738 
1 1 1   21    2  -36 o   39.964   1.0688  215.046   11.473  218.480   16.046  211.455   16.410   40.233   1.4849   39.573   1.5439 0.6601563 2.142067 
1 1 1   21    2  -35 o   37.160   1.5728  186.444   15.698  175.410   21.833  198.256   22.588   35.869   2.2780   38.157   2.2135 -2.288315 3.176333 
1 1 1   21    2  -34 o   15.065   2.0056   31.259   7.9134   35.353   11.273   27.280   11.112   15.886   2.7409   13.857   3.0667 2.029868 4.113047 
1 1 1   21    2  -33 o   35.770   1.0746  172.212   10.324  167.600   14.421  177.062   14.787   35.248   1.5232   36.230   1.5196 -0.9816399 2.151624 
1 1 1   21    2  -32 o   18.786   1.6489   47.987   8.2362   63.529   11.558   31.952   11.740   21.579   2.0175   15.047   3.0101 6.532604 3.623629 
1 1 1   21    2  -31 f   26.805   1.7446   97.374   12.492  102.141   17.604   92.538   17.729   27.344   2.4221   25.987   2.5739 1.356972 3.534373 
1 1 1   21    2  -30 o   17.201   1.7186   40.300   7.8337   44.152   10.963   36.281   11.197   17.913   2.3342   16.144   2.6761 1.769075 3.551062 
1 1 1   21    2  -29 o   33.964   1.0758  155.156   9.8141  152.797   13.712  157.633   14.053   33.679   1.5158   34.207   1.5295 -0.5279160 2.153373 
1 1 1   21    2  -28 o   76.470   1.0263  786.315   21.079  791.696   29.787  780.917   29.835   76.684   1.4462   76.158   1.4585 0.5254288 2.053957 
1 1 1   21    2  -27 f   41.641   0.9871  233.114   11.040  234.260   15.600  231.965   15.627   41.721   1.3921   41.516   1.4014 0.2054367 1.975355 
1 1 1   21    2  -26 o   24.268   1.3019   79.454   8.4549   88.294   12.079   70.963   11.839   25.540   1.7718   22.861   1.9465 2.678265 2.632183 
1 1 1   21    2  -25 o   73.918   1.0041  734.478   19.934  742.689   28.241  726.325   28.142   74.296   1.4152   73.471   1.4261 0.8241196 2.009131 
1 1 1   21    2  -24 o   73.893   1.0075  733.926   19.995  738.093   28.398  729.830   28.158   74.069   1.4275   73.653   1.4233 0.4154282 2.015841 
1 1 1   21    2  -23 o  127.524   1.3633  2187.35   46.696  2203.20   66.289  2171.74   65.791  127.885   1.9299  126.969   1.9292 0.9160004 2.728762 
1 1 1   21    2  -22 o   71.243   1.0709  682.244   20.493  704.519   31.986  666.734   26.690   72.352   1.6459   70.405   1.4114 1.946960 2.168238 
1 1 1   21    2  -21 o  209.799   2.9316  5949.31  165.196  5879.31  231.867  6021.47  235.417  207.891   4.1525  210.381   4.1662 -2.489517 5.882225 
1 1 1   21    2  -20 o   54.562   0.9317  400.051   13.654  402.145   19.270  397.940   19.349   54.689   1.3119   54.401   1.3242 0.2872963 1.864040 
1 1 1   21    2  -19 o   60.336   0.9393  489.180   15.222  489.847   21.497  488.510   21.556   60.360   1.3260   60.277   1.3315 0.8271408E-01 1.879115 
1 1 1   21    2  -18 o   21.034   1.3360   59.722   7.5086   60.831   10.454   58.541   10.792   21.180   1.8564   20.762   1.9584 0.4173012 2.698394 
1 1 1   21    2  -17 o   60.337   0.9339  489.153   15.135  508.225   21.589  470.718   21.225   61.487   1.3072   59.173   1.3354 2.313656 1.868759 
1 1 1   21    2  -16 o   98.402   1.1367  1301.28   30.042  1311.27   42.536  1291.35   42.436   98.745   1.6038   97.991   1.6123 0.7535400 2.274163 
1 1 1   21    2  -15 o   92.802   1.2687  1157.51   31.623  1151.86   38.673  1168.93   54.938   92.556   1.5556   93.184   2.1950 -0.6273956 2.690372 
1 1 1   21    2  -14 o   95.733   1.4037  1231.92   36.094  1277.80   58.052  1203.00   46.085   97.432   2.2183   94.573   1.8143 2.858894 2.865726 
1 1 1   21    2  -13 o   67.743   1.1019  616.620   20.049  650.001   35.473  600.952   24.303   69.516   1.8999   66.868   1.3532 2.648415 2.332494 
1 1 1   21    2  -12 o   48.483   0.7737  315.748   10.075  323.139   12.590  302.584   16.802   49.044   0.9558   47.450   1.3184 1.593430 1.628374 
1 1 1   21    2  -11 o   48.036   0.6872  309.939   8.8665  308.244   12.516  311.645   12.562   47.900   0.9728   48.164   0.9711 -0.2635384 1.374561 
1 1 1   21    2  -10 o  153.836   1.2713  3180.07   52.529  3168.46   74.159  3191.76   74.417  153.510   1.7986  154.073   1.7983 -0.5635834 2.543372 
1 1 1   21    2   -9 o   13.328   1.1624   24.049   4.1194   24.272   5.8701   23.833   5.7824   13.333   1.6763   13.211   1.6667 0.1217356 2.363865 
1 1 1   21    2   -8 o   59.860   0.7574  481.300   12.178  496.696   18.431  469.369   16.224   60.803   1.1286   59.109   1.0219 1.693996 1.522491 
1 1 1   21    2   -7 o   15.312   1.2274   31.704   5.0053   26.776   6.4535   39.145   7.9293   14.004   1.7542   16.973   1.7652 -2.968892 2.488609 
1 1 1   21    2   -6 o   39.571   0.7165  210.327   7.6150  206.546   10.796  214.069   10.742   39.211   1.0251   39.919   1.0019 -0.7080269 1.433426 
1 1 1   21    2   -5 o   81.450   0.8161  891.120   17.853  891.599   25.291  890.644   25.205   81.464   1.1559   81.420   1.1526 0.4355621E-01 1.632330 
1 1 1   21    2   -4 o   68.989   0.7592  639.289   14.067  642.585   19.924  636.012   19.864   69.161   1.0726   68.806   1.0748 0.3546829 1.518456 
1 1 1   21    2   -3 o   98.026   0.9964  1290.84   26.233  1304.25   37.314  1277.73   36.889   98.519   1.4101   97.513   1.4085 1.006569 1.993041 
1 1 1   21    2   -2 o  201.604   1.6871  5462.84   91.352  5598.88  125.668  5310.40  133.030  204.027   2.2932  198.674   2.4930 5.353241 3.387293 
1 1 1   21    2   -1 o   66.411   0.7829  592.414   13.965  601.569   19.218  582.172   20.328   66.918   1.0693   65.828   1.1497 1.089348 1.570079 
1 1 1   21    2    0 o   82.374   0.8230  911.440   18.209  927.278   25.986  896.159   25.524   83.079   1.1646   81.673   1.1635 1.405876 1.646210 
1 1 1   21    2    1 o   79.936   0.8132  858.285   17.460  862.328   24.821  854.326   24.564   80.116   1.1535   79.744   1.1469 0.3724136 1.626611 
1 1 1   21    2    2 o   67.207   0.7932  606.687   14.318  614.661   21.411  600.237   19.256   67.639   1.1786   66.843   1.0726 0.7960129 1.593557 
1 1 1   21    2    3 o  142.858   1.2522  2742.02   48.046  2743.50   71.324  2740.79   65.010  142.857   1.8588  142.798   1.6950 0.5821228E-01 2.515601 
1 1 1   21    2    4 o   63.279   0.9159  537.885   15.567  565.654   26.013  522.393   19.430   64.878   1.4928   62.356   1.1601 2.522087 1.890577 
1 1 1   21    2    5 o   19.427   1.2727   50.927   6.6040   48.934   10.021   52.457   8.7802   18.973   1.9965   19.684   1.6767 -0.7115078 2.607200 
1 1 1   21    2    6 o   78.171   0.9908  820.897   20.803  843.466   34.441  807.932   26.103   79.218   1.6187   77.544   1.2533 1.673882 2.047154 
1 1 1   21    2    7 o  116.621   1.0736  1827.16   33.630  1810.31   49.700  1841.40   45.675  116.056   1.5944  117.056   1.4527 -1.000511 2.156978 
1 1 1   21    2    8 o   32.144   0.8725  138.793   7.5324  130.374   11.922  144.387   9.7178   31.147   1.4251   32.783   1.1036 -1.635670 1.802461 
1 1 1   21    2    9 o  157.139   1.3573  3318.23   57.284  3343.55   85.388  3297.51   77.247  157.676   2.0162  156.605   1.8365 1.070419 2.727232 
1 1 1   21    2   10 o   90.581   0.9142  1102.22   22.243  1110.76   33.176  1095.26   29.979   90.914   1.3586   90.283   1.2363 0.6313171 1.836915 
1 1 1   21    2   11 o   24.721   0.9766   82.103   6.4842   83.054   10.212   81.460   8.3933   24.809   1.5401   24.588   1.2753 0.2215595 1.999590 
1 1 1   21    2   12 o  159.809   1.5200  3433.01   65.242  3379.28   97.034  3477.35   88.138  158.461   2.2799  160.777   2.0410 -2.316559 3.059978 
1 1 1   21    2   13 o  141.038   1.2432  2673.19   47.094  2697.20   70.245  2653.59   63.471  141.613   1.8468  140.481   1.6821 1.131622 2.498065 
1 1 1   21    2   14 o  145.270   1.2740  2836.23   49.708  2820.79   73.537  2849.22   67.451  144.808   1.8907  145.556   1.7253 -0.7481079 2.559565 
1 1 1   21    2   15 o   52.279   0.7666  367.145   10.764  359.589   15.869  373.585   14.650   51.729   1.1422   52.729   1.0344 -1.000137 1.540971 
1 1 1   21    2   16 o   74.260   0.8307  740.849   16.569  759.917   24.888  725.671   22.205   75.193   1.2323   73.484   1.1250 1.708855 1.668627 
1 1 1   21    2   17 o   90.477   0.9156  1099.89   22.250  1128.10   33.417  1077.42   29.821   91.604   1.3582   89.530   1.2401 2.073540 1.839179 
1 1 1   21    2   18 o   93.769   0.9366  1181.45   23.588  1200.73   35.187  1165.71   31.789   94.500   1.3863   93.121   1.2710 1.379410 1.880742 
1 1 1   21    2   19 o   29.307   0.8893  115.409   7.0004  117.158   10.558  114.037   9.3513   29.519   1.3317   29.126   1.1953 0.3925285 1.789474 
1 1 1   21    2   20 o   65.731   0.8939  580.567   15.782  566.471   23.423  592.286   21.358   64.905   1.3436   66.377   1.1980 -1.471107 1.800137 
1 1 1   21    2   21 o   43.269   0.7871  251.545   9.1476  257.998   13.758  246.431   12.247   43.808   1.1692   42.818   1.0649 0.9895554 1.581476 
1 1 1   21    2   22 o  121.578   1.1160  1987.03   36.444  1968.24   53.841  2002.91   49.510  120.930   1.6576  122.013   1.5108 -1.082695 2.242798 
1 1 1   21    2   23 o   57.467   0.7887  443.737   12.174  429.764   17.911  455.737   16.598   56.537   1.1795   58.227   1.0613 -1.689766 1.586692 
1 1 1   21    2   24 o   7.6185   2.3922   7.7381   5.4523   10.006   8.1738   5.9201   7.3183   8.8425   2.9420   7.4776   2.7596 1.364900 4.033723 
1 1 1   21    2   25 o   56.123   0.9680  423.375   14.591  425.995   22.566  421.492   19.128   56.262   1.4933   55.980   1.2722 0.2820816 1.961711 
1 1 1   21    2   26 o   75.837   0.8798  772.982   17.920  777.118   25.384  768.872   25.302   76.010   1.2433   75.606   1.2460 0.4045944 1.760205 
1 1 1   21    2   27 f   77.981   0.8311  817.283   17.407  831.075   24.772  803.831   24.465   78.607   1.1733   77.307   1.1782 1.299690 1.662815 
1 1 1   21    2   28 o   18.569   1.1866   46.574   5.8874   49.161   8.2901   43.941   8.3624   19.032   1.6377   17.971   1.7549 1.061640 2.400331 
1 1 1   21    2   29 o  118.938   1.0588  1902.62   33.824  1938.61   48.300  1867.98   47.382  119.968   1.4989  117.763   1.4980 2.205658 2.119177 
1 1 1   21    2   30 o   62.068   0.8174  517.871   13.627  496.204   20.096  536.314   18.541   60.717   1.2322   63.139   1.0933 -2.421333 1.647340 
1 1 1   21    2   31 f   63.305   0.8528  538.832   14.500  556.464   22.945  527.110   18.709   64.278   1.3290   62.586   1.1129 1.691399 1.733477 
1 1 1   21    2   32 o   13.867   1.7596   26.377   6.4064   22.746   9.1452   29.876   8.9772   12.689   2.7618   14.663   2.3594 -1.974776 3.632394 
1 1 1   21    2   33 o   30.047   0.8851  121.426   7.1429  115.800   9.9391  127.435   10.272   29.319   1.2621   30.759   1.2434 -1.439129 1.771723 
1 1 1   21    2   34 o   25.701   0.9858   88.885   6.8052   87.350   9.4070   90.570   9.8568   25.416   1.3832   25.877   1.4237 -0.4603996 1.984970 
1 1 1   21    2   35 o   42.241   0.8511  240.007   9.6567  244.222   13.496  235.585   13.823   42.580   1.1801   41.815   1.2308 0.7652588 1.705123 
1 1 1   21    2   36 o   74.744   0.8858  751.601   17.782  744.144   23.816  760.997   26.731   74.318   1.1931   75.126   1.3248 -0.8085327 1.782844 
1 1 1   21    2   37 o   35.894   1.0043  173.448   9.6824  176.915   13.154  169.347   14.304   36.216   1.3523   35.414   1.5038 0.8013992 2.022403 
1 1 1   21    2   38 o   47.020   0.8694  297.486   10.979  305.716   14.688  287.062   16.529   47.631   1.1481   46.128   1.3341 1.503361 1.760090 
1 1 1   21    2   39 o   5.4101   2.3280  -0.4321   6.1143   9.1455   8.0465 -13.5189   9.4057   8.5029   2.9188   5.0089   2.4056 3.494053 3.782392 
1 1 1   21    2   40 o   34.040   0.9292  156.018   8.4960  154.463   11.447  157.926   12.678   33.834   1.2596   34.195   1.3804 -0.3608551 1.868687 
1 1 1   21    2   41 o   45.207   1.0300  275.407   12.507  267.434   16.694  285.607   18.882   44.483   1.3973   45.941   1.5302 -1.457520 2.072162 
1 1 1   21    2   42 o   28.713   1.0947  111.178   8.4419  115.069   12.621  108.028   11.356   29.094   1.6216   28.212   1.5041 0.8827629 2.211738 
1 1 1   21    2   43 o   18.392   1.5097   46.107   7.3921   42.451   11.106   49.015   9.9050   17.433   2.4386   18.870   1.9841 -1.436598 3.143782 
1 1 1   21    2   44 o   38.196   1.0089  196.678   10.351  193.437   15.593  199.230   13.840   37.785   1.5364   38.387   1.3423 -0.6016426 2.040236 
1 1 1   21    2   45 o   24.844   1.1472   83.310   7.6551   82.396   10.736   84.254   10.918   24.592   1.6348   24.867   1.6439 -0.2747879 2.318377 
1 1 1   21    2   46 o   10.671   2.5592   16.290   7.2406   13.595   10.566   18.676   9.9416   10.052   3.3450   11.394   3.1453 -1.342241 4.591550 
1 1 1   21    2   47 o   21.617   1.4371   63.561   8.2966   82.266   13.014   50.753   10.769   24.473   1.9972   19.152   2.1295 5.321747 2.919562 
1 1 1   21    2   48 o   35.070   1.1343  166.125   10.684  160.063   15.081  172.234   15.139   34.318   1.6361   35.613   1.5827 -1.294407 2.276328 
1 1 1   21    2   49 o   6.0138   2.6118  -0.8280   7.8410   11.196   10.913 -13.6607   11.274   9.4513   3.3867   5.6556   2.6936 3.795712 4.327264 
1 1 1   21    2   50 o   13.851   2.7278   27.713   9.7870   29.601   12.500   24.721   15.733   14.130   3.3454   12.906   4.0655 1.224510 5.264979 
1 1 1   21    2   51 o   18.288   1.7327   46.215   8.4096   51.511   10.914   38.475   13.193   19.174   2.1566   16.155   3.1538 3.019197 3.820634 
1 1 1   21    2   52 o   7.6564   2.9433   6.2050   8.5162   10.082   10.059  -3.6068   16.002   8.9059   3.2432   8.0452   3.6008 0.8607073 4.846035 
1 1 1   21    2   53 o   13.560   2.4637   26.728   8.6427   24.242   11.096   30.562   13.781   12.610   3.2542   14.012   3.6318 -1.401693 4.876473 
1 1 1   21    2   54 o   17.987   1.9804   45.694   9.4091   41.125   13.080   50.593   13.545   16.515   3.0614   18.505   2.8139 -1.989296 4.158157 
1 1 1   21    3  -51 o   24.232   5.1423   96.780   32.432   0.0000   0.0000   96.780   32.432  ?   ?    24.232   5.1423 0.000000 5.142260 
1 1 1   21    3  -50 o   24.626   2.7543   86.386   17.906  108.200   41.359   81.354   19.864   24.999   6.1918   23.654   3.2094 1.344881 6.974126 
1 1 1   21    3  -49 f   8.0835   3.3555   3.4197   11.977   5.6286   16.633   1.0412   17.260   9.5356   3.9560   9.0487   3.9024 0.4869232 5.556842 
1 1 1   21    3  -48 o   43.512   1.3099  256.411   15.309  259.007   19.217  251.904   25.324   43.628   1.6400   42.745   2.2133 0.8839417 2.754696 
1 1 1   21    3  -47 o   34.520   1.2269  161.095   11.376  157.977   15.858  164.400   16.327   34.027   1.7410   34.709   1.7571 -0.6814461 2.473515 
1 1 1   21    3  -46 o   27.011   1.4816   99.152   10.708  107.056   15.018   90.979   15.271   27.933   2.0152   25.674   2.2368 2.259026 3.010718 
1 1 1   21    3  -45 o   32.370   1.3566  141.740   11.795  123.295   15.886  164.402   17.608   30.006   1.9822   34.694   1.8967 -4.687515 2.743518 
1 1 1   21    3  -44 o   20.826   1.9171   59.557   10.603   60.723   13.587   57.741   16.959   20.882   2.4702   20.101   3.2522 0.7813740 4.083964 
1 1 1   21    3  -43 o   16.498   2.3799   38.055   10.240   8.0706   17.286   54.267   12.711   10.184   4.1053   19.736   2.4506 -9.552263 4.781106 
1 1 1   21    3  -42 o   49.900   1.2498  336.338   16.750  356.068   27.749  325.027   21.010   51.106   2.0215   48.965   1.5975 2.141163 2.576551 
1 1 1   21    3  -41 o   24.799   1.7465   83.875   11.559   85.926   17.359   82.242   15.492   24.862   2.6399   24.391   2.3957 0.4709530 3.564895 
1 1 1   21    3  -40 o   28.946   1.3425  113.188   10.437  116.043   14.449  110.073   15.093   29.174   1.8535   28.378   1.9929 0.7966404 2.721583 
1 1 1   21    3  -39 o   21.011   1.6338   60.115   9.1478   63.565   12.554   56.210   13.357   21.491   2.2061   20.117   2.5279 1.373631 3.355155 
1 1 1   21    3  -38 o   27.026   1.3334   98.573   9.6788  101.579   13.535   95.427   13.846   27.310   1.8562   26.444   1.9634 0.8659554 2.701936 
1 1 1   21    3  -37 o   50.188   1.0376  339.210   13.986  314.684   19.512  365.129   20.058   48.265   1.5051   52.003   1.4361 -3.738461 2.080320 
1 1 1   21    3  -36 o   51.826   1.0188  361.627   14.181  367.772   20.144  355.590   19.967   52.200   1.4368   51.326   1.4484 0.8739128 2.040157 
1 1 1   21    3  -35 o   44.090   1.0930  261.780   12.943  259.458   17.195  264.814   19.659   43.846   1.4601   44.266   1.6535 -0.4195328 2.205925 
1 1 1   21    3  -34 o   59.961   1.3306  484.726   21.430  511.811   33.423  465.818   27.925   61.456   2.0248   58.691   1.7715 2.764412 2.690352 
1 1 1   21    3  -33 o   43.263   1.0283  251.918   11.949  251.038   16.790  252.821   17.007   43.140   1.4491   43.291   1.4627 -0.1511955 2.058928 
1 1 1   21    3  -32 o   33.047   1.1358  147.035   10.081  144.246   14.350  149.753   14.166   32.646   1.6418   33.311   1.5833 -0.6646919 2.280868 
1 1 1   21    3  -31 o   24.331   1.3372   79.998   8.7052   78.605   12.253   81.419   12.370   24.038   1.9136   24.470   1.8969 -0.4318085 2.694469 
1 1 1   21    3  -30 o   14.676   2.8626   30.297   10.878   37.270   15.191   22.958   15.585   16.180   3.5894   12.930   4.0421 3.250812 5.405778 
1 1 1   21    3  -29 o   40.154   1.0181  216.871   10.980  213.854   15.322  220.056   15.742   39.843   1.4317   40.415   1.4502 -0.5720139 2.037874 
1 1 1   21    3  -28 o   63.824   0.9852  547.789   16.889  568.217   24.072  527.988   23.700   64.962   1.3796   62.617   1.4092 2.345383 1.972108 
1 1 1   21    3  -27 o   83.657   1.0647  941.201   23.923  958.354   34.105  924.586   33.566   84.357   1.5052   82.857   1.5083 1.499954 2.130872 
1 1 1   21    3  -26 o   28.045   1.1806  105.793   8.8932   91.946   12.395  120.483   12.767   26.058   1.7817   29.867   1.5973 -3.808212 2.392823 
1 1 1   21    3  -25 o   40.092   0.9897  216.086   10.657  214.426   14.957  217.798   15.190   39.917   1.3950   40.229   1.4058 -0.3120308 1.980473 
1 1 1   21    3  -24 o   63.991   0.9698  550.433   16.669  533.214   23.303  568.475   23.854   62.953   1.3782   65.002   1.3663 -2.049217 1.940637 
1 1 1   21    3  -23 o   91.810   1.1063  1133.27   27.280  1126.82   38.451  1139.80   38.710   91.497   1.5646   92.022   1.5662 -0.5254745 2.213806 
1 1 1   21    3  -22 o   90.239   1.0929  1094.72   26.490  1092.68   37.402  1096.77   37.524   90.108   1.5454   90.276   1.5475 -0.1679840 2.187025 
1 1 1   21    3  -21 o  149.905   1.5464  3023.81   62.261  3023.80   88.028  3023.81   88.073  149.756   2.1885  149.756   2.1896 -0.6103516E-04 3.095773 
1 1 1   21    3  -20 o   73.698   1.4171  730.562   28.051  747.258   39.743  713.988   39.597   74.478   1.9867   72.797   2.0251 1.681274 2.836961 
1 1 1   21    3  -19 o   88.679   1.2508  1057.33   29.792  1030.25   36.030  1115.89   52.975   87.510   1.5329   90.995   2.1675 -3.484665 2.654809 
1 1 1   21    3  -18 o   68.316   0.9680  627.178   17.761  641.022   25.358  613.844   24.886   69.043   1.3674   67.563   1.3714 1.479729 1.936602 
1 1 1   21    3  -17 o   99.463   1.1464  1329.74   30.627  1337.80   43.464  1321.78   43.163   99.721   1.6228   99.122   1.6212 0.5988083 2.293848 
1 1 1   21    3  -16 o  107.175   1.2022  1543.99   34.606  1543.93   48.961  1544.05   48.919  107.125   1.7016  107.129   1.7001 -0.4440308E-02 2.405413 
1 1 1   21    3  -15 o  100.221   1.1501  1349.95   30.959  1358.10   43.926  1341.92   43.640  100.484   1.6276   99.884   1.6266 0.6003342 2.301072 
1 1 1   21    3  -14 o  138.067   1.6618  2563.90   61.626  2567.66   75.547  2556.44  106.538  138.115   2.0365  137.657   2.8815 0.4588165 3.528483 
1 1 1   21    3  -13 o   98.996   1.2032  1317.11   31.993  1291.43   37.411  1387.01   61.725   98.012   1.4211  101.493   2.2643 -3.481010 2.673315 
1 1 1   21    3  -12 o   78.541   0.8634  828.729   18.214  853.659   28.895  812.293   23.462   79.693   1.3499   77.748   1.1235 1.944168 1.756313 
1 1 1   21    3  -11 o   84.005   0.8971  948.046   20.241  952.459   31.806  945.043   26.240   84.177   1.4068   83.861   1.1650 0.3163147 1.826509 
1 1 1   21    3  -10 o   80.656   0.8069  873.898   17.479  879.647   24.843  868.262   24.598   80.909   1.1432   80.384   1.1393 0.5251312 1.613945 
1 1 1   21    3   -9 o   82.486   0.8161  913.993   18.082  918.660   25.619  909.359   25.524   82.685   1.1536   82.265   1.1552 0.4196930 1.632517 
1 1 1   21    3   -8 o   37.312   0.8121  187.019   8.1390  201.819   11.755  173.390   11.280   38.756   1.1293   35.922   1.1691 2.833900 1.625446 
1 1 1   21    3   -7 o   36.901   0.7120  182.899   7.0564  182.738   10.059  183.056   9.9012   36.881   1.0155   36.913   0.9987 -0.3236771E-01 1.424272 
1 1 1   21    3   -6 o   58.553   0.7571  460.525   11.908  477.270   16.275  441.234   17.468   59.603   1.0166   57.306   1.1349 2.296978 1.523631 
1 1 1   21    3   -5 o   25.261   0.8820   85.718   5.9843   77.323   8.8053   92.924   8.1580   23.947   1.3747   26.298   1.1550 -2.350851 1.795490 
1 1 1   21    3   -4 o   69.750   0.7974  653.501   14.939  668.158   22.380  641.722   20.063   70.518   1.1816   69.112   1.0808 1.406364 1.601347 
1 1 1   21    3   -3 o   69.971   0.8801  657.680   16.540  666.635   22.557  647.268   24.324   70.438   1.1923   69.404   1.3049 1.034111 1.767542 
1 1 1   21    3   -2 o   84.474   0.8333  958.532   18.908  972.963   26.971  944.586   26.514   85.097   1.1800   83.847   1.1773 1.250061 1.666901 
1 1 1   21    3   -1 o  101.363   0.9680  1380.25   26.353  1387.45   35.845  1371.79   38.876  101.613   1.3134  101.033   1.4326 0.5805664 1.943551 
1 1 1   21    3    0 o  122.376   1.0615  2011.97   34.890  2037.10   49.698  1987.55   48.993  123.114   1.5029  121.608   1.5000 1.506439 2.123358 
1 1 1   21    3    1 o   30.233   0.7903  122.778   6.4174  111.701   9.0747  133.860   9.0766   28.833   1.1718   31.565   1.0706 -2.731842 1.587201 
1 1 1   21    3    2 o   61.135   0.7404  502.016   12.157  514.267   17.444  490.447   16.953   61.870   1.0497   60.420   1.0446 1.449711 1.480938 
1 1 1   21    3    3 o   24.567   0.9349   81.079   6.1687   80.775   9.3339   81.315   8.2196   24.475   1.4261   24.568   1.2497 -0.9356689E-01 1.896182 
1 1 1   21    3    4 o   45.971   0.7917  283.879   9.7754  282.761   15.400  284.634   12.651   45.873   1.2499   46.029   1.0233 -0.1559029 1.615333 
1 1 1   21    3    5 o  125.878   1.3332  2129.31   45.076  2101.49   63.359  2157.82   64.143  125.012   1.8870  126.677   1.8852 -1.664795 2.667314 
1 1 1   21    3    6 o   96.719   1.1154  1256.87   28.975  1232.14   40.620  1282.49   41.343   95.741   1.5796   97.678   1.5759 -1.936638 2.231250 
1 1 1   21    3    7 o  128.863   1.2128  2231.34   41.977  2258.13   66.831  2213.89   53.946  129.579   1.9202  128.334   1.5650 1.245087 2.477208 
1 1 1   21    3    8 o  106.262   1.0070  1517.03   28.740  1523.83   42.780  1511.45   38.800  106.474   1.4959  106.049   1.3622 0.4253159 2.023193 
1 1 1   21    3    9 o  217.109   1.8077  6338.81  105.412  6350.63  156.553  6329.01  142.576  217.135   2.6844  216.819   2.4483 0.3156738 3.633155 
1 1 1   21    3   10 o  103.692   0.9925  1444.57   27.643  1427.06   40.840  1459.37   37.553  103.035   1.4758  104.203   1.3417 -1.168610 1.994515 
1 1 1   21    3   11 o   90.440   1.0023  1098.95   24.348  1098.61   36.710  1099.22   32.534   90.399   1.5119   90.434   1.3394 -0.3530121E-01 2.019856 
1 1 1   21    3   12 o  127.594   1.2066  2187.92   41.351  2196.26   65.523  2182.39   53.308  127.769   1.9093  127.403   1.5578 0.3664017 2.464210 
1 1 1   21    3   13 o  108.599   1.0245  1584.71   29.885  1606.09   44.679  1567.39   40.202  109.294   1.5220  107.980   1.3862 1.313812 2.058622 
1 1 1   21    3   14 o   84.786   0.8833  965.827   20.116  977.757   30.093  956.190   27.047   85.286   1.3137   84.347   1.1939 0.9388657 1.775153 
1 1 1   21    3   15 o  133.406   1.1914  2392.06   42.688  2426.46   63.865  2364.29   57.392  134.294   1.7706  132.583   1.6117 1.710587 2.394248 
1 1 1   21    3   16 o   98.527   0.9645  1304.45   25.524  1311.05   38.005  1299.04   34.449   98.742   1.4330   98.299   1.3048 0.4426346 1.938029 
1 1 1   21    3   17 o   15.033   1.3955   30.651   5.5704   24.689   8.3582   35.415   7.4716   13.328   2.4241   16.128   1.7530 -2.800082 2.991564 
1 1 1   21    3   18 o  123.867   1.1288  2062.35   37.553  2093.70   56.184  2037.04   50.489  124.737   1.6770  123.058   1.5275 1.678543 2.268386 
1 1 1   21    3   19 o  139.438   1.3679  2614.74   51.232  2617.89   76.950  2612.24   68.662  139.399   2.0552  139.293   1.8353 0.1061707 2.755376 
1 1 1   21    3   20 o   73.671   0.8682  729.305   17.179  749.622   24.813  710.600   23.808   74.667   1.2372   72.699   1.2193 1.968109 1.737072 
1 1 1   21    3   21 o   31.063   0.8263  129.660   6.8945  122.052   9.4824  138.193   10.042   30.130   1.1717   32.060   1.1662 -1.930552 1.653177 
1 1 1   21    3   22 o  122.814   1.0755  2027.65   35.478  2011.16   49.926  2044.48   50.424  122.252   1.5205  123.260   1.5231 -1.007942 2.152125 
1 1 1   21    3   23 o   54.830   0.7926  403.977   11.673  414.574   17.485  395.458   15.678   55.526   1.1724   54.236   1.0762 1.289829 1.591491 
1 1 1   21    3   24 o  101.260   1.0851  1378.61   29.513  1384.12   44.478  1374.29   39.449  101.388   1.6333  101.055   1.4534 0.3332291 2.186345 
1 1 1   21    3   25 o   58.237   0.8079  455.778   12.637  454.134   18.803  457.131   17.066   58.107   1.2048   58.307   1.0898 -0.1994972 1.624498 
1 1 1   21    3   26 o   54.988   0.8482  406.405   12.527  401.400   20.205  409.530   15.965   54.612   1.3775   55.185   1.0771 -0.5733795 1.748599 
1 1 1   21    3   27 o   34.380   0.9807  158.922   9.0557  136.551   13.647  176.522   12.105   31.796   1.6031   36.220   1.2443 -4.423788 2.029326 
1 1 1   21    3   28 o   43.082   0.8943  249.528   10.348  243.597   16.394  253.457   13.342   42.530   1.4352   43.404   1.1445 -0.8743744 1.835637 
1 1 1   21    3   29 o   93.850   0.9503  1184.46   23.955  1204.43   35.511  1167.79   32.451   94.562   1.3981   93.131   1.2973 1.430542 1.907290 
1 1 1   21    3   30 o   74.190   0.8238  740.030   16.416  743.270   23.187  736.774   23.245   74.311   1.1617   73.984   1.1698 0.3265915 1.648603 
1 1 1   21    3   31 o   34.013   0.9347  155.610   8.5389  167.629   11.951  143.076   12.204   35.279   1.2613   32.582   1.3946 2.696491 1.880318 
1 1 1   21    3   32 o   30.172   0.8917  122.448   7.2260  123.940   9.9737  120.800   10.483   30.334   1.2241   29.942   1.3036 0.3926163 1.788245 
1 1 1   21    3   33 o   21.599   1.0867   62.966   6.2845   66.174   8.6738   59.420   9.1179   22.100   1.4696   20.913   1.6363 1.186699 2.199396 
1 1 1   21    3   34 o   58.763   0.8343  464.453   13.168  463.623   17.493  465.540   20.003   58.676   1.1100   58.773   1.2672 -0.9694672E-01 1.684547 
1 1 1   21    3   35 o   57.735   0.8798  448.459   13.643  444.567   18.347  453.274   20.407   57.442   1.1892   57.981   1.3104 -0.5394707 1.769518 
1 1 1   21    3   36 o   10.830   2.3315   16.557   6.5812   12.430   9.2110   20.862   9.4064   9.6347   3.1188   12.101   2.9261 -2.466798 4.276593 
1 1 1   21    3   37 o   29.043   0.9922  113.569   7.7398  121.903   10.244  102.484   11.815   30.066   1.2686   27.487   1.6073 2.579103 2.047623 
1 1 1   21    3   38 o   38.824   0.8505  202.832   8.8687  192.972   12.187  213.932   12.930   37.831   1.1994   39.831   1.2086 -2.000340 1.702745 
1 1 1   21    3   39 o   18.659   1.4584   47.335   7.2509   47.190   9.3323   47.557   11.518   18.551   1.8998   18.519   2.3699 0.3188896E-01 3.037369 
1 1 1   21    3   40 o   44.419   0.9086  265.694   10.841  275.381   14.264  252.447   16.679   45.181   1.1754   43.210   1.4371 1.970470 1.856612 
1 1 1   21    3   41 o   18.456   1.4399   46.353   7.0814   46.491   9.4688   46.177   10.667   18.385   1.9472   18.258   2.2210 0.1269245 2.953681 
1 1 1   21    3   42 o   33.932   1.0007  155.202   9.1201  158.874   11.932  150.041   14.144   34.289   1.2955   33.271   1.5828 1.017326 2.045403 
1 1 1   21    3   43 o   38.073   0.9546  195.343   9.7620  190.548   13.645  200.372   13.972   37.537   1.3534   38.492   1.3515 -0.9558144 1.912605 
1 1 1   21    3   44 o   34.680   1.0921  162.267   10.173  156.073   16.586  166.001   12.880   33.822   1.8327   35.030   1.3689 -1.208389 2.287479 
1 1 1   21    3   45 o   21.293   1.4815   61.705   8.4202   66.645   14.107   58.972   10.495   21.896   2.4402   20.723   1.9068 1.172319 3.096902 
1 1 1   21    3   46 o   6.5083   2.5820   3.2781   6.7270   10.299   9.2054  -4.7678   9.8546   8.9806   3.1197   6.1747   2.7893 2.805939 4.184830 
1 1 1   21    3   47 o   44.953   0.9484  272.467   11.452  276.871   16.973  268.787   15.514   45.210   1.3978   44.572   1.2959 0.6379776 1.906109 
1 1 1   21    3   48 o   17.859   2.1416   44.375   10.068   35.907   13.223   56.053   15.528   15.693   3.2443   19.797   3.0155 -4.104074 4.429354 
1 1 1   21    3   49 f   7.4733   2.8389   5.8509   7.8641  -1.6306   10.560   15.168   11.784   6.8373   2.9989   10.483   3.5328 -3.645261 4.633970 
1 1 1   21    3   50 o   8.0751   3.0203   7.4382   8.8245  -1.3709   11.582   19.628   13.625   7.1697   3.1428   11.613   3.7952 -4.442923 4.927565 
1 1 1   21    3   51 o   30.596   1.2393  127.185   10.184  123.232   12.845  133.874   16.711   29.961   1.6021   31.037   2.0155 -1.076880 2.574615 
1 1 1   21    3   52 o   22.370   1.5612   68.950   9.3214   75.345   11.820   58.431   15.159   23.247   1.9100   19.969   2.9121 3.278057 3.482595 
1 1 1   21    3   53 o   10.946   2.9617   18.109   8.9187   27.478   12.633   8.8000   12.593   13.268   3.4959   8.9692   3.5408 4.298450 4.975847 
1 1 1   21    3   54 o   19.487   2.4030   55.015   12.311   31.413   20.198   68.969   15.530   13.576   4.6249   21.626   2.7347 -8.050471 5.372899 
1 1 1   21    4  -50 o   16.294   4.2863   41.936   19.010   0.0000   0.0000   41.936   19.010  ?   ?    16.294   4.2863 0.000000 4.286276 
1 1 1   21    4  -49 o   23.742   2.8657   80.630   17.905   59.910   37.026   86.954   20.456   18.646   6.2623   24.499   3.1840 -5.852457 7.025276 
1 1 1   21    4  -48 o   6.1805   2.7821  -4.0796   9.7033  -3.9280   12.094  -4.3534   16.256   7.0121   3.1350   8.1560   3.6414 -1.143910 4.804963 
1 1 1   21    4  -47 o   41.339   1.2803  231.328   14.215  247.037   18.557  209.019   22.115   42.618   1.6212   38.973   2.1207 3.644638 2.669335 
1 1 1   21    4  -46 o   28.461   1.3819  109.705   10.564  107.591   14.990  111.790   14.889   27.988   2.0074   28.548   1.9535 -0.5601044 2.801016 
1 1 1   21    4  -45 o   19.260   1.8645   50.982   9.5241   52.453   13.115   49.341   13.853   19.339   2.5900   18.663   2.8543 0.6758289 3.854207 
1 1 1   21    4  -44 o   6.7163   2.8571   0.4855   9.0214   1.0362   12.417  -0.1301   13.129   7.8878   3.3537   7.9165   3.4089 -0.2868080E-01 4.781981 
1 1 1   21    4  -43 o   5.1443   2.4140  -8.4386   8.4496  -5.5238   11.786 -11.5211   12.120   6.7574   3.0517   6.1869   2.8994 0.5704875 4.209436 
1 1 1   21    4  -42 o   16.406   2.3337   37.599   9.9938   39.710   16.059   36.265   12.767   16.459   3.7201   15.889   3.1029 0.5703478 4.844304 
1 1 1   21    4  -41 o   26.408   1.6692   95.006   11.779   98.765   20.154   93.055   14.515   26.570   2.8697   26.029   2.0939 0.5407734 3.552402 
1 1 1   21    4  -40 o   22.373   1.6626   68.250   9.9195   73.511   13.387   61.844   14.772   23.103   2.1832   21.037   2.6748 2.065748 3.452622 
1 1 1   21    4  -39 o   11.691   2.7580   19.548   8.5206   22.891   11.846   15.965   12.265   12.601   3.4149   10.877   3.6031 1.724582 4.964248 
1 1 1   21    4  -38 f   52.186   1.0328  366.923   14.477  351.748   20.302  382.620   20.649   51.008   1.4819   53.208   1.4449 -2.200054 2.069676 
1 1 1   21    4  -37 o   33.185   1.1933  148.492   10.636  158.505   14.902  138.092   15.186   34.228   1.6209   31.876   1.7809 2.352526 2.408098 
1 1 1   21    4  -36 o   49.961   1.0260  336.149   13.768  340.328   19.309  331.828   19.637   50.204   1.4320   49.565   1.4750 0.6390610 2.055763 
1 1 1   21    4  -35 o   21.843   1.5179   64.746   8.8496   56.182   11.943   75.174   13.179   20.209   2.2378   23.437   2.1164 -3.227583 3.080073 
1 1 1   21    4  -34 o   11.091   2.7569   17.470   8.1774   18.837   10.759   15.602   12.583   11.550   3.3024   10.894   3.6507 0.6559029 4.922774 
1 1 1   21    4  -33 o   7.2959   3.0580   1.3816   10.087  -6.1229   14.462   8.4902   14.075   7.6061   3.4124   9.6879   3.7672 -2.081848 5.082942 
1 1 1   21    4  -32 o   64.267   1.0077  555.891   17.394  573.015   24.694  539.030   24.504   65.181   1.4105   63.212   1.4432 1.968807 2.018048 
1 1 1   21    4  -31 o   42.411   1.0331  242.078   11.768  234.110   16.401  250.533   16.894   41.662   1.4657   43.099   1.4594 -1.437332 2.068400 
1 1 1   21    4  -30 o   59.287   0.9967  472.926   15.871  475.863   22.346  469.936   22.545   59.417   1.4002   59.042   1.4216 0.3745155 1.995428 
1 1 1   21    4  -29 o   41.057   1.4504  227.204   15.994  233.719   22.768  220.857   22.473   41.568   2.0393   40.349   2.0807 1.218304 2.913440 
1 1 1   21    4  -28 o   35.367   1.1544  168.331   10.966  160.650   14.152  179.873   17.348   34.523   1.5262   36.507   1.7692 -1.984142 2.336529 
1 1 1   21    4  -27 o   35.290   1.0748  167.527   10.187  168.867   14.467  166.209   14.348   35.402   1.5215   35.122   1.5210 0.2796745 2.151332 
1 1 1   21    4  -26 o   61.783   0.9710  513.248   16.114  499.491   22.442  527.887   23.151   60.912   1.3717   62.619   1.3765 -1.706959 1.943282 
1 1 1   21    4  -25 o   81.503   1.0476  893.257   22.933  881.102   32.281  905.642   32.585   80.893   1.4857   82.012   1.4793 -1.119690 2.096577 
1 1 1   21    4  -24 f   41.694   0.9724  233.700   10.889  244.994   15.611  222.996   15.197   42.668   1.3622   40.706   1.3900 1.962288 1.946204 
1 1 1   21    4  -23 o   43.543   0.9662  254.865   11.299  240.599   15.830  269.685   16.134   42.284   1.3938   44.771   1.3417 -2.486286 1.934663 
1 1 1   21    4  -22 o   83.717   1.0567  942.228   23.760  953.452   33.767  931.222   33.438   84.168   1.4936   83.181   1.4967 0.9873276 2.114470 
1 1 1   21    4  -21 o   23.745   1.2428   76.032   7.8984   76.353   11.020   75.693   11.327   23.748   1.7398   23.638   1.7975 0.1098537 2.501537 
1 1 1   21    4  -20 o   38.420   0.9900  198.404   10.216  191.414   14.407  205.473   14.489   37.720   1.4220   39.083   1.3802 -1.362724 1.981699 
1 1 1   21    4  -19 o   43.672   1.0894  256.393   12.779  278.457   22.141  245.371   15.648   45.473   1.8128   42.711   1.3640 2.761520 2.268658 
1 1 1   21    4  -18 o   47.889   1.0980  308.286   14.123  310.137   17.295  304.581   24.470   48.021   1.3409   47.554   1.9158 0.4676132 2.338427 
1 1 1   21    4  -17 o  148.982   1.7735  2987.89   70.967  3007.04   87.161  2950.23  122.236  149.369   2.1726  147.684   3.0816 1.684799 3.770437 
1 1 1   21    4  -16 o   93.948   1.1092  1186.38   27.990  1185.31   39.522  1187.45   39.646   93.864   1.5676   93.949   1.5712 -0.8456421E-01 2.219473 
1 1 1   21    4  -15 f  112.940   1.2434  1714.82   37.718  1709.08   53.228  1720.60   53.456  112.692   1.7586  113.071   1.7602 -0.3788223 2.488131 
1 1 1   21    4  -14 o  119.442   1.2924  1918.00   41.463  1882.85   58.110  1954.45   59.179  118.279   1.8292  120.507   1.8284 -2.227959 2.586270 
1 1 1   21    4  -13 o   88.726   1.0454  1057.92   24.913  1044.14   28.431  1103.52   51.709   88.137   1.2010   90.522   2.1267 -2.385902 2.442430 
1 1 1   21    4  -12 f   17.280   0.9093   40.230   4.2056   38.714   5.5680   42.244   6.4172   16.926   1.2332   17.674   1.3623 -0.7475281 1.837606 
1 1 1   21    4  -11 o   58.103   0.7094  453.504   11.071  449.008   15.610  458.053   15.704   57.806   1.0054   58.386   1.0014 -0.5794830 1.419017 
1 1 1   21    4  -10 o   86.126   0.8754  996.563   20.251  1021.25   30.469  977.027   27.105   87.165   1.3014   85.263   1.1836 1.901527 1.759143 
1 1 1   21    4   -9 o   53.397   0.8575  383.055   12.299  383.463   20.167  382.812   15.519   53.409   1.4058   53.375   1.0825 0.3454971E-01 1.774331 
1 1 1   21    4   -8 o   82.456   1.0094  913.517   22.354  944.017   31.705  883.365   31.524   83.801   1.4086   81.062   1.4479 2.738960 2.020010 
1 1 1   21    4   -7 o   50.534   0.7529  343.044   10.220  345.265   15.939  341.493   13.317   50.688   1.1708   50.415   0.9835 0.2729340 1.529028 
1 1 1   21    4   -6 o  122.388   1.1058  2012.70   36.349  2020.38   49.418  2003.66   53.654  122.593   1.5008  122.073   1.6364 0.5198593 2.220427 
1 1 1   21    4   -5 o   45.640   0.7383  279.802   9.0505  272.910   12.246  288.098   13.435   45.069   1.0117   46.305   1.0802 -1.235668 1.479968 
1 1 1   21    4   -4 o   66.688   0.8235  597.428   14.750  587.121   20.861  607.733   20.859   66.101   1.1750   67.251   1.1548 -1.150940 1.647435 
1 1 1   21    4   -3 o   29.799   0.7878  119.286   6.3056  122.353   8.9500  116.263   8.8853   30.176   1.1042   29.415   1.1246 0.7608662 1.576109 
1 1 1   21    4   -2 o   18.633   1.0431   46.792   5.1992   49.849   7.4848   43.943   7.2274   19.202   1.4622   18.018   1.5073 1.184534 2.100026 
1 1 1   21    4   -1 o   66.334   0.7510  591.061   13.381  596.371   19.062  585.902   18.788   66.623   1.0653   66.036   1.0593 0.5871735 1.502277 
1 1 1   21    4    0 o   69.478   0.8002  648.439   14.932  660.767   22.494  638.727   19.965   70.124   1.1943   68.948   1.0781 1.175682 1.608904 
1 1 1   21    4    1 o   89.222   0.8603  1069.40   20.617  1089.82   29.483  1049.85   28.842   90.056   1.2189   88.389   1.2149 1.666832 1.720942 
1 1 1   21    4    2 o   85.805   0.8823  989.082   20.334  990.506   30.316  987.918   27.416   85.850   1.3147   85.744   1.1904 0.1066818 1.773586 
1 1 1   21    4    3 o   90.045   0.8666  1089.22   20.958  1084.64   29.607  1093.82   29.671   89.841   1.2270   90.220   1.2245 -0.3792114 1.733405 
1 1 1   21    4    4 o   85.405   0.9247  979.907   21.211  993.522   33.831  971.089   27.228   85.972   1.4651   85.009   1.1925 0.9630356 1.889046 
1 1 1   21    4    5 o  123.665   1.3147  2055.35   43.669  2082.11   71.853  2039.69   54.989  124.389   2.1507  123.165   1.6623 1.223595 2.718163 
1 1 1   21    4    6 o   80.179   1.0091  863.749   21.732  879.090   31.094  849.101   30.385   80.870   1.4315   79.479   1.4233 1.390938 2.018723 
1 1 1   21    4    7 o   79.884   0.9493  857.360   20.367  838.556   30.438  872.608   27.408   78.982   1.4348   80.578   1.2664 -1.596191 1.913739 
1 1 1   21    4    8 o   89.120   1.0521  1067.20   25.183  1029.77   40.630  1090.54   32.091   87.504   1.7287   90.075   1.3264 -2.571815 2.178972 
1 1 1   21    4    9 o   38.855   0.7912  202.809   8.2566  199.280   12.308  205.697   11.133   38.508   1.1900   39.126   1.0594 -0.6179657 1.593263 
1 1 1   21    4   10 o   54.795   0.8353  403.376   12.293  408.808   18.748  399.279   16.281   55.150   1.2657   54.509   1.1121 0.6413231 1.684814 
1 1 1   21    4   11 o   56.113   0.7728  422.997   11.648  434.668   17.476  413.669   15.624   56.871   1.1441   55.483   1.0485 1.387505 1.551834 
1 1 1   21    4   12 f  181.519   1.5400  4431.02   75.083  4474.35  112.067  4395.73  101.138  182.253   2.2893  180.691   2.0839 1.561447 3.095793 
1 1 1   21    4   13 o  101.754   0.9831  1391.31   26.870  1367.97   39.554  1411.31   36.615  100.861   1.4601  102.457   1.3305 -1.596581 1.975381 
1 1 1   21    4   14 o  114.527   1.0643  1762.77   32.738  1766.83   48.694  1759.43   44.225  114.608   1.5819  114.383   1.4395 0.2244720 2.138802 
1 1 1   21    4   15 f   33.447   0.8339  150.305   7.4911  153.151   11.321  148.087   9.9914   33.752   1.2488   33.193   1.1207 0.5591698 1.677914 
1 1 1   21    4   16 o  105.077   1.0043  1483.87   28.344  1552.86   43.017  1430.94   37.680  107.445   1.4906  103.155   1.3600 4.290390 2.017758 
1 1 1   21    4   17 o   19.817   1.1491   52.970   6.0902   47.613   9.0879   57.337   8.2052   18.716   1.8312   20.591   1.4938 -1.874901 2.363213 
1 1 1   21    4   18 o  130.769   1.2359  2299.34   43.410  2267.63   68.065  2321.09   56.359  129.746   1.9532  131.333   1.5977 -1.586655 2.523401 
1 1 1   21    4   19 o   49.707   0.8724  332.028   11.647  334.101   17.561  330.401   15.563   49.842   1.3118   49.573   1.1689 0.2694321 1.756976 
1 1 1   21    4   20 o   50.872   0.7808  347.735   10.668  339.745   15.674  354.632   14.562   50.268   1.1609   51.363   1.0556 -1.094696 1.569053 
1 1 1   21    4   21 o   73.294   0.8391  721.899   16.518  706.248   24.263  735.421   22.551   72.467   1.2465   73.957   1.1353 -1.490540 1.686036 
1 1 1   21    4   22 o  171.520   1.4725  3959.16   67.837  4037.22  101.796  3896.80   90.984  172.982   2.1910  170.015   1.9924 2.966736 2.961451 
1 1 1   21    4   23 o   88.649   1.2263  1057.02   29.198  1008.08   40.678  1109.04   41.935   86.503   1.7508   90.736   1.7207 -4.233231 2.454834 
1 1 1   21    4   24 f   50.367   0.8886  340.981   12.022  335.576   20.802  343.692   14.731   49.921   1.5514   50.556   1.0848 -0.6344490 1.893059 
1 1 1   21    4   25 o   28.119   0.9838  106.306   7.4299   98.740   11.227  112.200   9.9103   27.032   1.5529   28.876   1.2778 -1.844175 2.011002 
1 1 1   21    4   26 o   20.624   1.2008   57.425   6.6229   66.633   10.052   50.361   8.8041   22.169   1.7011   19.252   1.7207 2.916567 2.419665 
1 1 1   21    4   27 o   45.742   0.8182  281.258   10.052  285.853   14.855  277.376   13.653   46.088   1.2000   45.406   1.1195 0.6824112 1.641156 
1 1 1   21    4   28 o   40.285   0.8899  218.220   9.6284  215.976   15.163  219.737   12.464   40.040   1.4100   40.408   1.1484 -0.3684044 1.818445 
1 1 1   21    4   29 o   75.091   0.9003  758.304   18.157  751.065   25.134  766.206   26.259   74.682   1.2530   75.424   1.2962 -0.7418671 1.802815 
1 1 1   21    4   30 o   10.707   2.2721   16.125   6.3320   14.372   8.1959   18.721   9.9728   10.136   2.8768   11.514   3.1387 -1.377810 4.257672 
1 1 1   21    4   31 o   17.790   1.3335   42.894   6.3254   33.558   7.9665   58.821   10.405   15.631   1.9391   20.770   1.8857 -5.138842 2.704843 
1 1 1   21    4   32 o   73.764   0.8711  731.921   17.258  717.934   22.888  750.354   26.275   73.009   1.1672   74.610   1.3111 -1.601608 1.755384 
1 1 1   21    4   33 o   28.595   0.9756  110.046   7.4929  116.032   9.7871  101.569   11.647   29.343   1.2418   27.377   1.5908 1.965483 2.018109 
1 1 1   21    4   34 o   8.0138   2.5501   8.6040   6.1783  -1.9834   7.8402   25.951   10.035   5.8603   2.5769   13.527   2.8521 -7.666231 3.843747 
1 1 1   21    4   35 o   34.362   0.9284  158.906   8.5685  155.777   11.071  163.579   13.531   33.996   1.2125   34.810   1.4472 -0.8140068 1.887986 
1 1 1   21    4   36 o   29.000   0.9530  113.216   7.4234  117.245   10.150  108.583   10.885   29.483   1.2818   28.322   1.4356 1.161434 1.924527 
1 1 1   21    4   37 o   7.3082   2.4882   6.7608   5.8460   4.4301   7.8205   9.7124   8.8010   7.1856   2.8042   8.8021   3.0508 -1.616479 4.143816 
1 1 1   21    4   38 f   34.150   0.9124  157.015   8.3685  157.588   11.537  156.378   12.157   34.173   1.2570   34.032   1.3300 0.1412125 1.829960 
1 1 1   21    4   39 o   9.1570   2.4517   11.881   6.1501   14.771   8.2898   8.3439   9.1719   10.209   2.8918   8.5006   3.0967 1.707995 4.236966 
1 1 1   21    4   40 o   22.835   1.4460   70.827   8.8229   74.202   11.082   64.984   14.582   23.308   1.7837   21.606   2.5627 1.702526 3.122330 
1 1 1   21    4   41 o   36.273   0.9806  177.340   9.5537  169.516   12.279  189.340   15.208   35.417   1.2908   37.387   1.5144 -1.969807 1.989897 
1 1 1   21    4   42 o   12.175   2.3243   20.965   7.3234   27.526   10.496   14.741   10.223   13.847   2.9145   10.315   3.2801 3.531854 4.387840 
1 1 1   21    4   43 o   11.127   2.5131   17.692   7.3334   10.474   10.838   23.788   9.9595   9.3232   3.3708   12.846   2.9489 -3.522518 4.478689 
1 1 1   21    4   44 o   17.444   1.5809   41.602   7.3264   43.518   10.144   39.513   10.593   17.708   2.1788   16.798   2.4175 0.9102020 3.254398 
1 1 1   21    4   45 o   28.269   1.1517  107.913   8.7448  111.458   12.910  104.907   11.887   28.592   1.6886   27.757   1.6012 0.8346939 2.327063 
1 1 1   21    4   46 o   28.848   1.2152  112.489   9.4160  112.691   12.903  112.259   13.772   28.742   1.6787   28.654   1.7985 0.8799171E-01 2.460266 
1 1 1   21    4   47 o   28.011   1.2639  106.191   9.5093  109.810   13.092  102.150   13.835   28.339   1.7283   27.278   1.9002 1.060955 2.568559 
1 1 1   21    4   48 o   24.193   1.5083   79.888   9.7524   75.740   12.684   85.885   15.252   23.399   2.0386   24.827   2.3139 -1.427887 3.083850 
1 1 1   21    4   49 o   4.7800   2.2985 -12.1849   8.6474 -15.6741   12.398  -8.8792   12.068   5.8278   2.7891   6.3781   2.9567 -0.5502543 4.064641 
1 1 1   21    4   50 o   18.986   1.6933   49.804   8.5444   51.921   11.062   46.674   13.452   19.216   2.1821   17.908   2.8955 1.307537 3.625659 
1 1 1   21    4   51 o   29.429   1.2770  117.929   10.094  128.611   12.924  101.222   16.163   30.584   1.5786   26.789   2.2677 3.795477 2.763056 
1 1 1   21    4   52 o   17.166   1.8382   41.298   8.3437   45.191   11.287   36.608   12.389   17.700   2.4391   15.595   3.0670 2.104207 3.918601 
1 1 1   21    4   53 f   19.702   2.7125   57.180   13.973   47.360   31.388   59.607   15.605   15.734   5.7291   19.928   3.0092 -4.194302 6.471255 
1 1 1   21    5  -50 o   10.108   4.6668 -10.6700   29.615   0.0000   0.0000 -10.6700   29.615  ?   ?    10.108   4.6668 0.000000 4.666775 
1 1 1   21    5  -49 o   14.022   4.3877   30.687   18.360   0.0000   0.0000   30.687   18.360  ?   ?    14.022   4.3877 0.000000 4.387730 
1 1 1   21    5  -48 o   38.063   1.6590  197.950   16.960  214.882   25.104  183.732   23.005   39.231   2.3939   36.278   2.3740 2.953259 3.371411 
1 1 1   21    5  -47 f   23.628   1.8580   76.830   11.696   72.734   14.292   85.138   20.352   22.814   2.3668   24.338   3.1902 -1.524246 3.972259 
1 1 1   21    5  -46 o   14.609   2.6655   30.485   10.074   19.211   12.678   49.797   16.593   11.586   3.6494   18.465   3.4730 -6.879158 5.037865 
1 1 1   21    5  -45 o   19.909   1.8171   54.444   9.6096   51.154   13.535   57.787   13.646   19.031   2.7257   20.303   2.5592 -1.272392 3.738850 
1 1 1   21    5  -44 o   7.0669   2.8665   3.1746   8.4843   1.7601   11.586   4.8102   12.458   7.7547   3.2652   8.5210   3.4672 -0.7662458 4.762671 
1 1 1   21    5  -43 o   20.344   2.1243   57.186   11.436   54.191   13.898   63.466   20.125   19.627   2.7086   20.888   3.7236 -1.261547 4.604483 
1 1 1   21    5  -42 f   38.280   1.1937  197.932   12.273  182.185   17.314  213.839   17.401   36.601   1.7612   39.689   1.6323 -3.087318 2.401295 
1 1 1   21    5  -41 o   30.747   1.4517  128.022   11.988  124.930   19.719  129.835   15.099   30.046   2.4652   30.836   1.8313 -0.7902756 3.070959 
1 1 1   21    5  -40 o   9.7255   3.2332   12.677   9.8725   7.1716   16.078   16.010   12.508   9.7887   3.9546   10.879   3.6399 -1.090318 5.374738 
1 1 1   21    5  -39 o   17.051   2.0522   40.184   9.2097   42.544   12.370   37.249   13.795   17.369   2.7428   16.069   3.3065 1.299721 4.295994 
1 1 1   21    5  -38 o   13.436   2.5720   25.565   8.9437   21.593   12.254   30.093   13.083   12.269   3.5293   14.410   3.4298 -2.141453 4.921345 
1 1 1   21    5  -37 o   24.851   1.4381   83.749   9.5584   82.698   13.138   84.930   13.932   24.582   2.0074   24.892   2.1036 -0.3091946 2.907647 
1 1 1   21    5  -36 o   24.414   1.3816   80.744   9.0225   74.360   12.342   88.073   13.223   23.316   1.9899   25.396   1.9535 -2.080620 2.788499 
1 1 1   21    5  -35 o   13.697   2.2202   26.158   7.8885   13.946   10.736   40.488   11.630   10.228   3.3702   17.017   2.6292 -6.788811 4.274490 
1 1 1   21    5  -34 o   47.613   1.0095  305.247   12.911  302.065   17.989  308.627   18.540   47.305   1.4158   47.811   1.4438 -0.5062027 2.022115 
1 1 1   21    5  -33 o   47.606   1.0871  305.241   13.901  319.917   18.664  286.960   20.831   48.687   1.4272   46.066   1.6836 2.620453 2.207144 
1 1 1   21    5  -32 o   49.758   1.3246  333.866   17.703  355.628   27.872  319.150   22.921   51.215   2.0262   48.574   1.7568 2.640411 2.681765 
1 1 1   21    5  -31 o   41.361   1.0314  230.292   11.458  203.523   15.870  259.438   16.560   38.829   1.5217   43.856   1.4059 -5.027035 2.071732 
1 1 1   21    5  -30 o   12.718   2.3078   22.623   7.5927   26.875   10.556   18.065   10.929   13.769   2.9435   11.366   3.3515 2.402324 4.460602 
1 1 1   21    5  -29 o   37.385   1.0660  188.116   10.705  193.819   15.210  182.520   15.068   37.907   1.4939   36.782   1.5252 1.124981 2.134934 
1 1 1   21    5  -28 o   52.466   1.3712  370.941   19.323  345.736   26.858  397.982   27.820   50.560   1.9778   54.259   1.9089 -3.698963 2.748768 
1 1 1   21    5  -27 o   76.299   1.3120  784.040   26.886  743.208   34.524  846.972   42.860   74.206   1.7321   79.147   2.0161 -4.941193 2.658031 
1 1 1   21    5  -26 o   30.756   1.1183  127.275   9.2380  118.196   12.762  137.268   13.389   29.565   1.6133   31.912   1.5621 -2.346905 2.245625 
1 1 1   21    5  -25 o   7.8877   2.7316   7.6101   7.0549   2.6286   9.8467   12.865   10.113   7.4848   3.0681   9.9301   3.2709 -2.445272 4.484683 
1 1 1   21    5  -24 o   40.196   0.9862  217.255   10.647  222.318   14.920  212.001   15.200   40.639   1.3669   39.681   1.4261 0.9582748 1.975413 
1 1 1   21    5  -23 o   17.831   1.6104   43.175   7.6295   43.691   10.719   42.645   10.862   17.838   2.2901   17.609   2.3556 0.2291374 3.285311 
1 1 1   21    5  -22 o   28.366   1.1647  108.220   8.8737  105.184   12.517  111.288   12.581   27.893   1.6786   28.698   1.6391 -0.8050709 2.346126 
1 1 1   21    5  -21 o  105.023   1.1929  1483.44   33.650  1485.26   47.636  1481.62   47.540  105.010   1.6889  104.882   1.6876 0.1281738 2.387574 
1 1 1   21    5  -20 o   60.417   0.9561  490.647   15.516  479.320   21.695  502.507   22.199   59.689   1.3532   61.116   1.3523 -1.426716 1.913109 
1 1 1   21    5  -19 o   82.962   1.0468  925.254   23.326  922.971   32.855  927.575   33.122   82.817   1.4770   83.023   1.4854 -0.2053375 2.094740 
1 1 1   21    5  -18 o   54.400   1.0738  397.837   15.690  393.085   26.942  400.276   19.301   54.019   1.8569   54.552   1.3173 -0.5334587 2.276705 
1 1 1   21    5  -17 o   66.747   1.0335  598.859   18.528  605.770   28.329  593.693   24.493   67.091   1.5721   66.435   1.3726 0.6554794 2.086983 
1 1 1   21    5  -16 o   45.512   1.0816  278.443   13.222  275.617   16.121  284.250   23.111   45.270   1.3258   45.940   1.8729 -0.6704674 2.294731 
1 1 1   21    5  -15 o   91.096   1.2602  1115.84   30.833  1089.16   37.296  1173.44   54.802   89.972   1.5434   93.300   2.1869 -3.328232 2.676624 
1 1 1   21    5  -14 o   76.772   0.8744  791.978   18.031  781.442   22.789  809.615   29.484   76.246   1.1128   77.585   1.4149 -1.339928 1.800039 
1 1 1   21    5  -13 o   56.916   0.7083  435.193   10.828  429.289   15.297  441.122   15.330   56.518   1.0077   57.292   0.9962 -0.7740517 1.417004 
1 1 1   21    5  -12 o   62.424   0.7877  523.534   13.207  519.703   17.276  528.924   20.489   62.185   1.0343   62.726   1.2161 -0.5403900 1.596500 
1 1 1   21    5  -11 o   82.437   0.8931  913.133   19.775  908.743   25.686  919.522   30.985   82.224   1.1631   82.694   1.3950 -0.4700470 1.816293 
1 1 1   21    5  -10 o   59.723   0.7953  479.206   12.758  489.542   20.608  472.783   16.245   60.345   1.2715   59.314   1.0197 1.031105 1.629879 
1 1 1   21    5   -9 o   59.587   0.7998  477.010   12.800  501.054   18.018  452.512   18.187   61.059   1.0986   58.024   1.1670 3.035809 1.602778 
1 1 1   21    5   -8 o   42.779   0.7215  245.838   8.2904  244.451   11.464  247.358   12.003   42.652   1.0007   42.904   1.0416 -0.2518234 1.444441 
1 1 1   21    5   -7 o   39.180   0.7147  206.216   7.5216  207.356   10.825  205.152   10.459   39.282   1.0259   39.074   0.9966 0.2086868 1.430299 
1 1 1   21    5   -6 o  113.325   1.0964  1725.83   33.373  1811.00   54.000  1673.20   42.450  116.030   1.7327  111.559   1.4167 4.471252 2.238164 
1 1 1   21    5   -5 o   54.201   0.8208  394.668   11.949  429.262   20.780  377.582   14.604   56.508   1.3691   53.009   1.0257 3.498940 1.710756 
1 1 1   21    5   -4 o   43.990   0.8515  259.976   10.060  277.493   14.403  243.289   14.058   45.440   1.1801   42.546   1.2302 2.893867 1.704698 
1 1 1   21    5   -3 f   15.746   1.2254   33.526   5.1420   37.827   7.6420   29.967   6.9507   16.681   1.7309   14.820   1.7820 1.861206 2.484210 
1 1 1   21    5   -2 o   63.914   0.7775  548.774   13.347  531.304   18.012  570.051   19.878   62.880   1.0665   65.130   1.1363 -2.249977 1.558386 
1 1 1   21    5   -1 o   68.559   0.7634  631.426   14.057  652.357   20.170  611.656   19.602   69.676   1.0778   67.467   1.0817 2.208733 1.527019 
1 1 1   21    5    0 o   63.478   0.7443  541.292   12.691  537.121   17.969  545.444   17.926   63.224   1.0581   63.712   1.0475 -0.4883041 1.488961 
1 1 1   21    5    1 o   84.416   0.8357  957.338   18.949  977.927   27.174  937.851   26.436   85.304   1.1860   83.538   1.1782 1.765808 1.671766 
1 1 1   21    5    2 o  116.242   1.0232  1815.58   31.946  1879.37   46.021  1756.26   44.381  118.234   1.4492  114.296   1.4457 3.937996 2.046982 
1 1 1   21    5    3 f   39.897   0.7742  213.829   8.2958  215.808   12.475  212.260   11.108   40.073   1.1591   39.745   1.0405 0.3281288 1.557579 
1 1 1   21    5    4 o   24.702   1.0143   81.990   6.7293   91.807   9.7028   72.891   9.3409   26.096   1.3893   23.235   1.5049 2.860952 2.048108 
1 1 1   21    5    5 o   53.809   0.7584  388.958   10.961  387.189   16.332  390.409   14.786   53.676   1.1328   53.902   1.0213 -0.2262421 1.525229 
1 1 1   21    5    6 o   37.068   0.8224  184.597   8.1880  178.818   12.805  188.594   10.650   36.473   1.3071   37.463   1.0584 -0.9897804 1.681886 
1 1 1   21    5    7 o   58.071   0.8116  453.052   12.660  433.861   17.779  472.791   18.030   56.817   1.1650   59.312   1.1318 -2.495552 1.624259 
1 1 1   21    5    8 o   62.706   0.8302  528.276   13.983  531.044   19.832  525.539   19.718   62.858   1.1747   62.531   1.1740 0.3266602 1.660799 
1 1 1   21    5    9 o  105.756   1.1748  1503.27   33.371  1542.73   55.475  1480.90   41.775  107.059   1.9292  104.940   1.4821 2.119156 2.432822 
1 1 1   21    5   10 o   49.422   0.7688  328.139   10.205  319.637   15.126  335.241   13.825   48.766   1.1548   49.946   1.0306 -1.180363 1.547810 
1 1 1   21    5   11 o  111.695   1.0459  1676.64   31.376  1681.44   46.658  1672.66   42.393  111.806   1.5537  111.529   1.4152 0.2772217 2.101632 
1 1 1   21    5   12 o   55.735   0.7769  417.355   11.631  427.854   17.579  409.181   15.510   56.418   1.1601   55.178   1.0466 1.240135 1.562425 
1 1 1   21    5   13 o   79.848   0.8616  856.695   18.478  828.948   27.041  880.999   25.308   78.519   1.2822   80.955   1.1639 -2.436050 1.731661 
1 1 1   21    5   14 o   10.766   1.9593   16.097   5.4571   13.068   8.3116   18.391   7.2349   9.7857   2.9317   11.462   2.4256 -1.676620 3.805059 
1 1 1   21    5   15 o   70.984   0.8252  677.050   15.733  670.659   23.339  682.373   21.299   70.625   1.2303   71.247   1.1130 -0.6218185 1.659085 
1 1 1   21    5   16 o   50.236   0.8176  339.097   11.032  339.267   17.568  338.987   14.176   50.227   1.3023   50.218   1.0510 0.8464813E-02 1.673435 
1 1 1   21    5   17 o   41.585   0.8990  232.404   10.041  252.075   18.173  223.759   12.047   43.279   1.5633   40.798   1.0994 2.481625 1.911194 
1 1 1   21    5   18 o   48.622   0.9416  317.736   12.297  322.195   20.773  315.330   15.257   48.927   1.5807   48.427   1.1730 0.4998741 1.968399 
1 1 1   21    5   19 o   80.836   0.9645  878.318   20.941  888.700   36.279  873.131   25.644   81.243   1.6626   80.580   1.1849 0.6638260 2.041576 
1 1 1   21    5   20 o   33.789   0.8801  153.442   7.9871  168.153   12.378  142.948   10.455   35.356   1.3035   32.603   1.1939 2.752949 1.767614 
1 1 1   21    5   21 o   38.608   0.8517  200.327   8.8318  198.586   13.395  201.666   11.747   38.421   1.2980   38.726   1.1294 -0.3049164 1.720547 
1 1 1   21    5   22 o   41.381   0.8622  230.150   9.5831  233.189   14.400  227.733   12.839   41.632   1.2877   41.149   1.1617 0.4829521 1.734298 
1 1 1   21    5   23 o   17.685   1.2460   42.288   5.8806   41.107   8.0108   43.668   8.6600   17.379   1.7396   17.905   1.8263 -0.5265789 2.522206 
1 1 1   21    5   24 o   67.869   0.7887  619.086   14.378  598.499   19.969  641.245   20.718   66.705   1.1146   69.046   1.1172 -2.340797 1.578106 
1 1 1   21    5   25 o   26.417   0.9320   93.831   6.6132   82.096   9.1024  106.951   9.6243   24.654   1.3802   28.189   1.2712 -3.534861 1.876353 
1 1 1   21    5   26 o   51.368   0.8057  354.718   11.116  365.247   16.547  346.058   15.007   52.096   1.1826   50.716   1.1017 1.379803 1.616208 
1 1 1   21    5   27 o   28.948   0.9553  112.712   7.4278  118.790   10.912  107.464   10.139   29.695   1.3682   28.246   1.3365 1.449104 1.912609 
1 1 1   21    5   28 o   44.458   0.8844  265.817   10.561  267.254   14.771  264.314   15.105   44.548   1.2345   44.299   1.2695 0.2492142 1.770744 
1 1 1   21    5   29 o   47.193   0.9437  299.620   11.962  280.391   17.617  316.069   16.294   45.601   1.4384   48.439   1.2524 -2.838013 1.907200 
1 1 1   21    5   30 o   38.894   1.0642  203.638   11.117  189.346   15.302  219.614   16.179   37.458   1.5210   40.345   1.4930 -2.886578 2.131299 
1 1 1   21    5   31 o   23.383   1.1205   73.636   7.0375   73.866   9.0089   73.275   11.272   23.355   1.4433   23.203   1.8234 0.1517143 2.325498 
1 1 1   21    5   32 o   18.323   1.4013   45.556   6.8443   45.659   9.5578   45.446   9.8055   18.251   1.9816   18.197   2.0415 0.5421829E-01 2.845028 
1 1 1   21    5   33 o   74.951   0.9556  756.108   19.238  736.706   25.264  782.885   29.679   73.920   1.2725   76.156   1.4510 -2.236618 1.929893 
1 1 1   21    5   34 o   51.248   0.7995  353.289   11.005  356.838   15.230  349.410   15.920   51.467   1.1018   50.920   1.1640 0.5476646 1.602781 
1 1 1   21    5   35 o   21.916   1.1567   64.919   6.7847   72.084   9.2102   56.417   10.033   23.051   1.4957   20.319   1.8589 2.731859 2.385962 
1 1 1   21    5   36 o   12.156   1.8910   20.509   5.9732   18.448   7.9610   23.165   9.0354   11.383   2.6529   12.765   2.7185 -1.382106 3.798445 
1 1 1   21    5   37 o   32.401   0.9278  141.365   8.0747  138.553   10.980  144.677   11.916   32.039   1.2759   32.729   1.3556 -0.6897392 1.861603 
1 1 1   21    5   38 o   18.139   1.3720   44.717   6.6351   48.062   8.9046   40.542   9.9490   18.734   1.7915   17.098   2.2188 1.636143 2.851779 
1 1 1   21    5   39 o   19.425   1.4928   51.376   7.7286   51.542   10.385   51.171   11.570   19.345   2.0289   19.210   2.2874 0.1347866 3.057591 
1 1 1   21    5   40 o   24.944   1.1808   84.004   7.9112   81.191   11.253   86.753   11.124   24.389   1.7291   25.232   1.6505 -0.8431683 2.390377 
1 1 1   21    5   41 o   23.805   1.1897   76.529   7.6069   71.271   10.358   82.686   11.208   22.845   1.7002   24.614   1.7059 -1.769333 2.408460 
1 1 1   21    5   42 f   12.553   2.2545   22.217   7.3219   20.844   9.3850   24.352   11.704   12.018   2.9332   12.935   3.3443 -0.9166412 4.448363 
1 1 1   21    5   43 o   32.411   1.0740  141.746   9.3499  165.977   13.756  120.938   12.747   35.002   1.4632   29.812   1.5978 5.190283 2.166541 
1 1 1   21    5   44 o   8.1732   2.7716   8.6845   7.2533   5.3128   9.0219   14.847   12.197   7.7029   3.0103   10.544   3.5940 -2.841529 4.688134 
1 1 1   21    5   45 o   36.761   0.9526  182.218   9.4059  184.221   12.771  179.842   13.906   36.901   1.2885   36.431   1.4211 0.4701538 1.918285 
1 1 1   21    5   46 o   4.9929   2.3407  -7.7115   7.9122 -24.3153   10.105   18.600   12.720   4.4142   2.1940   11.442   3.6611 -7.027965 4.268151 
1 1 1   21    5   47 f   25.328   1.5009   87.505   10.164   76.347   14.945   97.107   13.865   23.360   2.4169   26.545   1.9584 -3.185080 3.110802 
1 1 1   21    5   48 o   24.335   1.4617   80.882   9.5099   79.758   12.918   82.212   14.051   23.983   2.0244   24.293   2.1765 -0.3099232 2.972467 
1 1 1   21    5   49 o   13.851   2.2049   27.263   7.9281   30.349   10.148   22.429   12.701   14.446   2.7151   12.199   3.6171 2.247087 4.522799 
1 1 1   21    5   50 o   5.8446   2.5709  -1.3156   7.8105   1.2876   10.044  -5.2983   12.423   7.0598   3.0092   6.8382   3.1061 0.2215719 4.324762 
1 1 1   21    5   51 o   20.910   2.1082   61.764   11.679   30.267   19.040   80.762   14.787   13.632   4.4881   23.804   2.3431 -10.17242 5.062907 
1 1 1   21    5   52 o   7.2427   3.1896  -0.6521   12.053 -14.5400   25.001   3.5529   13.757   8.7914   4.1341   8.2736   3.5241 0.5177498 5.432314 
1 1 1   21    6  -49 o   12.071   5.0483   14.720   27.400   0.0000   0.0000   14.720   27.400  ?   ?    12.071   5.0483 0.000000 5.048345 
1 1 1   21    6  -48 o   6.6383   3.1921 -21.4524   16.679   0.0000   0.0000 -21.4524   16.679  ?   ?    6.6383   3.1921 0.000000 3.192106 
1 1 1   21    6  -47 f   25.484   1.9719   89.844   13.392   75.490   18.187  106.847   19.794   22.891   3.0326   27.459   2.7196 -4.567051 4.073483 
1 1 1   21    6  -46 o   17.174   2.4660   41.671   11.048   37.529   13.508   50.043   19.205   16.006   3.2529   18.205   4.0337 -2.198879 5.181919 
1 1 1   21    6  -45 o   18.643   2.1535   48.327   10.585   30.491   13.460   77.229   17.135   14.367   3.5167   23.394   2.7815 -9.027082 4.483750 
1 1 1   21    6  -44 o   19.183   1.8683   50.655   9.5042   46.739   13.171   54.909   13.729   18.150   2.7912   19.747   2.6557 -1.597729 3.852731 
1 1 1   21    6  -43 o   27.467   1.4240  102.468   10.469  102.609   14.450  102.312   15.189   27.343   1.9810   27.270   2.0896 0.7263947E-01 2.879343 
1 1 1   21    6  -42 o   39.683   1.3630  213.143   14.527  216.085   17.462  206.529   26.183   39.890   1.6298   38.617   2.5385 1.272305 3.016645 
1 1 1   21    6  -41 o   18.766   1.8697   48.438   9.2987   41.079   13.254   55.571   13.049   16.941   3.0236   19.943   2.4904 -3.001623 3.917175 
1 1 1   21    6  -40 o   11.783   3.0562   20.067   9.7547   16.330   15.488   22.525   12.559   11.300   4.0361   12.462   3.5695 -1.162074 5.388060 
1 1 1   21    6  -39 o   23.491   1.7326   75.376   10.855   72.741   18.231   76.822   13.511   22.673   3.0730   23.610   2.1543 -0.9369106 3.752847 
1 1 1   21    6  -38 o   37.239   1.2048  187.247   12.050  197.408   16.063  174.170   18.224   38.165   1.5670   35.722   1.9063 2.443123 2.467700 
1 1 1   21    6  -37 o   5.7760   2.6327  -5.4476   9.0232  -2.4257   11.846  -9.6249   13.927   7.2138   3.1698   6.9946   3.2189 0.2191877 4.517630 
1 1 1   21    6  -36 o   28.329   1.2806  108.346   9.7441  120.525   13.560   95.344   14.011   29.772   1.7029   26.405   1.9902 3.366627 2.619275 
1 1 1   21    6  -35 o   50.288   1.0397  340.716   14.043  346.473   19.671  334.732   20.054   50.635   1.4464   49.758   1.5006 0.8771553 2.084156 
1 1 1   21    6  -34 o   6.2851   2.6502   0.6938   7.6500  -1.6347   10.426   3.4098   11.260   6.8812   2.9999   8.0089   3.2817 -1.127748 4.446224 
1 1 1   21    6  -33 o   22.056   1.5037   66.023   8.8551   78.024   12.493   53.904   12.554   23.904   1.9631   19.742   2.4180 4.161951 3.114609 
1 1 1   21    6  -32 o   61.209   1.0841  504.642   17.823  504.807   23.522  504.421   27.312   61.152   1.4321   61.073   1.6650 0.7871628E-01 2.196127 
1 1 1   21    6  -31 o   27.271   1.8576  101.166   13.525   99.700   18.671  102.785   19.618   26.904   2.6170   27.296   2.7118 -0.3921394 3.768635 
1 1 1   21    6  -30 o   15.232   2.0560   32.017   8.1969   50.305   11.952   15.777   11.263   19.087   2.3833   10.782   3.4445 8.304700 4.188612 
1 1 1   21    6  -29 o   46.528   0.9998  291.364   12.495  295.037   17.585  287.619   17.756   46.771   1.3998   46.174   1.4317 0.5963173 2.002327 
1 1 1   21    6  -28 o   36.362   1.0704  177.989   10.454  184.785   14.740  171.110   14.829   37.010   1.4828   35.607   1.5506 1.403252 2.145469 
1 1 1   21    6  -27 o   38.158   1.1125  196.004   11.402  195.991   16.365  196.016   15.895   38.109   1.5988   38.116   1.5526 -0.7823944E-02 2.228593 
1 1 1   21    6  -26 o   11.695   3.1348   19.330   10.048   24.302   14.335   14.528   14.087   13.144   3.8277   10.918   3.8546 2.226256 5.432282 
1 1 1   21    6  -25 o   22.378   1.3705   67.711   8.1981   65.526   11.510   69.960   11.680   21.932   1.9751   22.674   1.9364 -0.7416649 2.765995 
1 1 1   21    6  -24 o   19.792   1.4646   53.064   7.7308   51.551   10.939   54.573   10.927   19.412   2.1332   19.990   2.0649 -0.5784683 2.968884 
1 1 1   21    6  -23 f   60.544   0.9641  492.894   15.678  494.133   22.114  491.642   22.230   60.582   1.3590   60.427   1.3696 0.1540794 1.929468 
1 1 1   21    6  -22 o  103.428   1.1869  1439.19   32.973  1409.24   46.163  1470.39   47.114  102.255   1.6808  104.450   1.6794 -2.195099 2.376024 
1 1 1   21    6  -21 o   62.756   0.9702  529.491   16.353  529.018   23.070  529.970   23.184   62.693   1.3700   62.749   1.3756 -0.5582047E-01 1.941448 
1 1 1   21    6  -20 o   77.149   1.0183  800.249   21.101  786.289   29.689  814.501   29.997   76.428   1.4463   77.788   1.4357 -1.360344 2.037908 
1 1 1   21    6  -19 o   51.496   0.9395  356.459   12.994  347.906   18.230  365.292   18.527   50.850   1.3348   52.106   1.3238 -1.255894 1.879926 
1 1 1   21    6  -18 o   53.920   0.9464  390.799   13.706  384.917   19.236  396.864   19.533   53.489   1.3389   54.312   1.3390 -0.8237419 1.893590 
1 1 1   21    6  -17 o   69.680   1.1329  652.855   21.202  712.197   37.825  625.666   25.603   72.692   1.9373   68.192   1.3979 4.500122 2.388984 
1 1 1   21    6  -16 o   26.171   1.2210   92.108   8.5829   87.245   13.176   95.693   11.312   25.370   1.9485   26.615   1.5897 -1.245728 2.514721 
1 1 1   21    6  -15 o   71.451   0.8513  686.048   16.338  675.829   20.587  703.434   26.852   70.902   1.0810   72.312   1.3826 -1.409584 1.755018 
1 1 1   21    6  -14 o   9.8716   1.6692   13.479   4.2680   12.298   4.4699   25.678   14.364   9.3948   1.8372   13.553   3.7952 -4.158481 4.216505 
1 1 1   21    6  -13 o   71.457   0.8791  686.169   16.873  694.931   22.752  675.459   25.153   71.893   1.1782   70.868   1.3215 1.024979 1.770445 
1 1 1   21    6  -12 o   47.792   0.8558  306.921   10.986  305.134   15.789  308.598   15.295   47.637   1.2340   47.909   1.1886 -0.2717285 1.713334 
1 1 1   21    6  -11 f   34.653   0.8282  161.348   7.7081  155.220   10.780  167.760   11.026   33.979   1.1812   35.325   1.1621 -1.346542 1.657009 
1 1 1   21    6  -10 o   45.339   0.8079  276.197   9.8386  270.291   11.984  288.409   17.233   44.846   0.9949   46.309   1.3855 -1.462601 1.705689 
1 1 1   21    6   -9 o   35.073   0.8113  165.274   7.6426  163.236   10.415  167.652   11.250   34.848   1.1127   35.314   1.1861 -0.4660301 1.626294 
1 1 1   21    6   -8 o   56.427   0.7424  427.765   11.252  430.478   15.498  424.741   16.364   56.596   1.0195   56.215   1.0838 0.3810272 1.487945 
1 1 1   21    6   -7 o   82.474   0.8236  913.891   18.243  929.085   25.996  899.148   25.607   83.137   1.1642   81.787   1.1657 1.350471 1.647490 
1 1 1   21    6   -6 o   68.372   0.7954  628.058   14.608  645.970   22.028  613.999   19.516   69.322   1.1831   67.591   1.0750 1.731758 1.598533 
1 1 1   21    6   -5 o   77.179   0.8324  800.317   17.256  803.996   23.517  796.024   25.400   77.342   1.1321   76.952   1.2289 0.3901291 1.670876 
1 1 1   21    6   -4 o  115.321   1.0171  1787.16   31.503  1828.26   45.110  1748.03   44.015  116.600   1.4404  114.014   1.4373 2.586838 2.034859 
1 1 1   21    6   -3 o  119.427   1.0443  1916.75   33.500  1904.07   47.210  1929.60   47.543  118.991   1.4772  119.786   1.4777 -0.7950363 2.089416 
1 1 1   21    6   -2 o   54.918   0.7663  405.184   11.304  394.842   16.997  413.386   15.137   54.200   1.1675   55.464   1.0161 -1.263878 1.547779 
1 1 1   21    6   -1 o  103.308   0.9852  1434.15   27.336  1416.38   40.273  1449.33   37.225  102.630   1.4610  103.828   1.3348 -1.198318 1.978970 
1 1 1   21    6    0 o  111.561   1.0869  1672.66   32.570  1685.75   51.587  1663.97   41.998  111.937   1.7158  111.244   1.4056 0.6921463 2.218070 
1 1 1   21    6    1 o   76.483   0.8723  785.960   17.920  795.588   28.274  779.496   23.167   76.924   1.3685   76.156   1.1326 0.7680283 1.776367 
1 1 1   21    6    2 o   94.966   1.0323  1211.95   26.332  1244.30   46.087  1196.27   32.084   96.162   1.7844   94.334   1.2663 1.828102 2.188036 
1 1 1   21    6    3 o   79.368   0.9958  846.493   21.229  851.093   34.583  843.711   26.892   79.543   1.6187   79.222   1.2638 0.3202362 2.053635 
1 1 1   21    6    4 o   75.414   0.8658  764.139   17.537  797.892   28.029  742.429   22.480   77.035   1.3547   74.322   1.1261 2.712196 1.761606 
1 1 1   21    6    5 o   27.751   0.8901  103.478   6.6346   97.763   10.119  107.786   8.7866   26.927   1.4040   28.318   1.1552 -1.390915 1.818198 
1 1 1   21    6    6 o   33.573   0.8670  151.447   7.8179  156.332   13.168  148.788   9.7155   34.095   1.4379   33.272   1.0872 0.8231277 1.802614 
1 1 1   21    6    7 o   55.534   0.8425  414.367   12.567  397.965   21.161  423.304   15.620   54.398   1.4483   56.122   1.0362 -1.724689 1.780801 
1 1 1   21    6    8 o   72.417   1.0093  704.772   19.631  718.214   36.375  699.249   23.318   73.042   1.8541   72.121   1.2037 0.9205322 2.210602 
1 1 1   21    6    9 o  110.273   1.2898  1635.03   38.202  1621.26   58.050  1645.54   50.738  109.720   1.9698  110.577   1.7083 -0.8571701 2.607411 
1 1 1   21    6   10 o   90.861   0.9590  1109.47   23.404  1136.71   37.258  1091.71   30.079   91.923   1.5091   90.110   1.2428 1.813202 1.954945 
1 1 1   21    6   11 f   30.463   0.9521  124.716   7.7901  119.191   13.215  127.659   9.6440   29.713   1.6625   30.815   1.1652 -1.101896 2.030146 
1 1 1   21    6   12 o  129.931   1.2920  2270.22   45.088  2301.60   78.548  2254.80   55.064  130.650   2.2384  129.445   1.5838 1.205505 2.742014 
1 1 1   21    6   13 o   74.364   0.8776  743.140   17.529  725.327   27.365  755.534   22.826   73.432   1.3874   74.966   1.1336 -1.533478 1.791695 
1 1 1   21    6   14 o   51.205   0.8055  352.309   11.077  353.335   17.445  351.615   14.340   51.258   1.2671   51.144   1.0439 0.1135063 1.641705 
1 1 1   21    6   15 o   33.194   0.8765  148.076   7.8148  130.056   11.913  161.688   10.354   31.091   1.4266   34.679   1.1116 -3.587811 1.808501 
1 1 1   21    6   16 o   16.776   1.4311   38.140   6.3868   34.740   10.616   40.069   7.9956   15.834   2.5856   17.159   1.7597 -1.325880 3.127603 
1 1 1   21    6   17 o   82.301   0.9762  910.474   21.580  935.824   32.784  891.093   28.666   83.391   1.4637   81.390   1.3113 2.000870 1.965157 
1 1 1   21    6   18 o   58.897   0.7989  466.152   12.638  448.104   18.511  481.909   17.296   57.723   1.1940   59.869   1.0756 -2.145767 1.607053 
1 1 1   21    6   19 o   44.731   0.7980  268.886   9.5880  276.079   14.229  262.904   12.976   45.308   1.1693   44.217   1.0926 1.090248 1.600299 
1 1 1   21    6   20 o   15.349   1.4354   31.988   5.8490   29.965   8.6723   33.676   7.9219   14.727   2.2650   15.687   1.9202 -0.9600954 2.969398 
1 1 1   21    6   21 o   19.837   1.2470   53.150   6.6103   52.902   9.5729   53.376   9.1390   19.725   1.8277   19.826   1.7337 -0.1009827 2.519112 
1 1 1   21    6   22 o   40.167   0.8446  216.867   9.1117  217.987   13.095  215.817   12.687   40.251   1.2112   40.052   1.1793 0.1989212 1.690514 
1 1 1   21    6   23 f   70.184   0.8437  662.162   15.905  661.280   23.534  662.904   21.578   70.096   1.2500   70.195   1.1445 -0.9819794E-01 1.694803 
1 1 1   21    6   24 o   20.899   1.1523   58.950   6.4435   55.358   8.3920   64.110   10.057   20.207   1.5583   21.732   1.7376 -1.524704 2.333958 
1 1 1   21    6   25 o   51.205   0.8087  352.487   11.122  347.744   14.663  358.912   17.067   50.838   1.0738   51.633   1.2307 -0.7947083 1.633282 
1 1 1   21    6   26 o   61.523   0.8263  508.940   13.655  508.476   18.068  509.557   20.851   61.467   1.0944   61.511   1.2621 -0.4376602E-01 1.670488 
1 1 1   21    6   27 o   40.549   0.8454  221.111   9.2074  223.006   12.021  218.421   14.321   40.703   1.0996   40.261   1.3244 0.4416237 1.721353 
1 1 1   21    6   28 o   5.9906   2.4073   2.2823   5.9233  -0.9992   7.5095   7.6861   9.6365   5.9100   2.5614   8.4973   3.1605 -2.587253 4.068120 
1 1 1   21    6   29 o   22.546   1.3441   68.776   8.1024   65.724   11.665   71.622   11.263   21.937   2.0017   22.936   1.8439 -0.9986191 2.721541 
1 1 1   21    6   30 o   45.886   0.8861  283.276   10.921  287.791   15.643  278.982   15.254   46.207   1.2605   45.496   1.2483 0.7110252 1.773970 
1 1 1   21    6   31 o   69.678   0.9796  653.520   18.334  646.685   27.390  659.068   24.677   69.211   1.4734   69.908   1.3142 -0.6968994 1.974378 
1 1 1   21    6   32 o   19.902   1.4895   53.785   7.9043   52.417   10.914   55.294   11.463   19.536   2.1137   20.061   2.1615 -0.5248737 3.023180 
1 1 1   21    6   33 o   9.5061   2.3867   12.795   6.0848   13.945   7.9626   11.180   9.4338   9.9580   2.8388   9.3164   3.1608 0.6415482 4.248482 
1 1 1   21    6   34 o   48.593   0.8102  317.699   10.574  320.726   14.577  314.337   15.362   48.785   1.1125   48.285   1.1845 0.4995232 1.625000 
1 1 1   21    6   35 o   53.209   0.8168  380.983   11.673  380.554   16.147  381.454   16.894   53.131   1.1315   53.184   1.1827 -0.5341721E-01 1.636746 
1 1 1   21    6   36 o   11.254   2.1275   17.804   6.1954   12.670   8.2606   24.403   9.3663   9.5630   2.9351   13.088   2.7517 -3.525374 4.023222 
1 1 1   21    6   37 o   36.220   0.8933  176.674   8.6906  167.364   11.796  187.726   12.852   35.207   1.2474   37.281   1.2835 -2.074409 1.789845 
1 1 1   21    6   38 o   13.425   2.2727   25.312   7.9027   21.505   11.475   28.747   10.900   12.204   3.3831   14.154   2.9622 -1.950181 4.496631 
1 1 1   21    6   39 o   59.563   0.8564  477.827   13.701  471.809   19.304  483.936   19.449   59.100   1.2161   59.857   1.2098 -0.7565231 1.715333 
1 1 1   21    6   40 o   30.983   0.9756  129.417   8.1183  133.325   10.909  124.568   12.154   31.401   1.2934   30.318   1.4925 1.082834 1.974979 
1 1 1   21    6   41 o   33.299   1.0029  149.537   8.9702  151.102   12.262  147.735   13.157   33.413   1.3663   33.016   1.4837 0.3972397 2.016953 
1 1 1   21    6   42 o   19.286   1.6017   50.829   8.2220   46.905   10.006   58.986   14.427   18.417   2.0580   20.490   2.6861 -2.073217 3.383919 
1 1 1   21    6   43 o   19.493   1.6006   51.926   8.3061   45.003   9.8042   69.533   15.634   18.030   2.0615   22.272   2.6666 -4.241070 3.370568 
1 1 1   21    6   44 o   11.588   2.4764   19.200   7.4737   18.605   9.0721   20.455   13.184   11.340   2.9504   11.941   3.7152 -0.6014585 4.744205 
1 1 1   21    6   45 o   5.8505   2.5218  -0.3635   7.1997   9.9155   10.208 -10.5397   10.156   9.0278   3.2702   5.5632   2.6218 3.464565 4.191427 
1 1 1   21    6   46 o   36.254   1.1165  177.721   10.872  173.084   14.491  183.694   16.445   35.677   1.5122   36.705   1.6681 -1.027859 2.251475 
1 1 1   21    6   47 f   6.2651   2.6639   0.6434   7.8354   6.4200   10.462  -6.7350   11.824   8.2349   3.2349   6.5458   2.9952 1.689079 4.408555 
1 1 1   21    6   48 o   15.653   2.4292   35.011   9.8821   47.937   14.834   24.699   13.250   18.029   3.1796   12.755   3.6701 5.273467 4.855920 
1 1 1   21    6   49 o   22.518   1.8380   70.444   11.019   77.251   16.098   64.442   15.116   23.199   2.6300   21.115   2.7291 2.083559 3.790087 
1 1 1   21    6   50 o   9.6155   3.5081   12.446   11.777   12.230   21.614   12.538   14.045   10.915   4.5173   9.9353   3.7892 0.9797258 5.896107 
1 1 1   21    6   51 o   15.585   3.2429   37.355   13.133   32.191   19.071   42.014   18.113   13.834   4.4886   15.934   4.1802 -2.099257 6.133677 
1 1 1   21    6   52 o   23.141   2.6346   78.836   16.084   94.815   20.764   54.870   25.430   24.933   3.1724   17.155   5.1254 7.777941 6.027746 
1 1 1   21    7  -48 o   19.418   3.7054   57.778   18.620   0.0000   0.0000   57.778   18.620  ?   ?    19.418   3.7054 0.000000 3.705372 
1 1 1   21    7  -47 o   8.8049   3.8646  -0.5525   17.564   0.0000   0.0000  -0.5525   17.564  ?   ?    8.8049   3.8646 0.000000 3.864573 
1 1 1   21    7  -46 o   19.756   2.4436   55.124   12.690   53.042   17.200   57.611   18.798   18.902   3.5174   19.623   3.7024 -0.7211895 5.106786 
1 1 1   21    7  -45 o   10.343   3.3276   15.090   10.498   10.951   12.989   22.885   17.826   9.7258   3.6591   12.668   4.3446 -2.941799 5.680201 
1 1 1   21    7  -44 o   15.567   2.5460   34.385   10.277   31.087   12.982   39.922   16.821   14.532   3.3884   16.333   3.8901 -1.800302 5.158888 
1 1 1   21    7  -43 o   10.242   3.0169   14.973   8.8598   6.0726   12.158   25.052   12.938   8.6531   3.4588   13.056   3.5816 -4.402647 4.979102 
1 1 1   21    7  -42 o   38.038   1.1940  195.545   12.198  177.238   16.788  216.019   17.755   36.089   1.7320   39.864   1.6582 -3.774948 2.397781 
1 1 1   21    7  -41 o   37.143   1.3170  186.671   13.138  200.796   16.888  165.016   20.910   38.445   1.6355   34.602   2.2624 3.843029 2.791651 
1 1 1   21    7  -40 o   42.596   1.1440  245.040   13.088  240.584   18.656  249.359   18.367   42.080   1.6506   42.856   1.5956 -0.7768517 2.295757 
1 1 1   21    7  -39 f   25.498   1.6224   88.622   11.053   80.927   17.258   93.973   14.392   24.037   2.7210   26.142   2.0666 -2.104034 3.416776 
1 1 1   21    7  -38 o   13.322   2.9991   25.616   10.472   26.048   17.167   25.360   13.216   13.436   4.2482   13.177   3.6220 0.2588511 5.582656 
1 1 1   21    7  -37 o   41.019   1.1413  227.095   12.574  237.710   17.491  215.741   18.090   41.877   1.5550   39.861   1.6896 2.015347 2.296305 
1 1 1   21    7  -36 o   28.083   1.6204  107.264   12.170  100.941   14.386  123.184   22.827   27.154   1.9863   29.711   2.8973 -2.557646 3.512754 
1 1 1   21    7  -35 o   34.690   1.1727  162.352   10.927  160.316   15.169  164.548   15.753   34.396   1.6419   34.839   1.6835 -0.4430656 2.351616 
1 1 1   21    7  -34 o   19.836   1.6481   53.646   8.7010   54.207   11.957   53.016   12.685   19.804   2.2902   19.537   2.4727 0.2666950 3.370341 
1 1 1   21    7  -33 o   53.758   1.0156  389.277   14.664  380.379   20.702  398.237   20.775   53.057   1.4527   54.294   1.4246 -1.237610 2.034635 
1 1 1   21    7  -32 o   36.325   1.1063  177.805   10.794  173.442   15.179  182.270   15.353   35.814   1.5779   36.718   1.5568 -0.9034424 2.216634 
1 1 1   21    7  -31 o   29.544   1.2156  117.677   9.6458  118.141   13.461  117.188   13.829   29.499   1.7063   29.369   1.7612 0.1299152 2.452181 
1 1 1   21    7  -30 o   60.181   1.3028  488.470   21.058  502.981   27.611  468.295   32.558   60.981   1.6858   58.736   2.0637 2.244484 2.664746 
1 1 1   21    7  -29 o   55.562   1.1571  415.942   17.269  423.759   29.709  411.954   21.222   55.908   1.9784   55.248   1.4301 0.6600609 2.441203 
1 1 1   21    7  -28 o   36.234   1.0775  176.786   10.486  187.267   14.793  166.202   14.866   37.248   1.4786   35.078   1.5779 2.169689 2.162388 
1 1 1   21    7  -27 o   71.706   1.0220  692.084   19.684  683.687   27.660  700.699   28.017   71.188   1.4466   72.068   1.4474 -0.8800201 2.046379 
1 1 1   21    7  -26 o   18.972   1.6193   48.944   8.1723   50.764   11.369   46.999   11.755   19.216   2.2451   18.442   2.4325 0.7742310 3.310193 
1 1 1   21    7  -25 o   57.007   1.3657  437.997   20.912  418.907   29.544  457.165   29.604   55.643   1.9768   58.146   1.8956 -2.502705 2.738760 
1 1 1   21    7  -24 o   39.670   1.1549  211.844   12.306  209.095   21.158  213.250   15.127   39.267   2.0129   39.778   1.4159 -0.5108414 2.460967 
1 1 1   21    7  -23 o   68.453   0.9912  630.296   18.225  625.086   25.683  635.579   25.865   68.115   1.4039   68.684   1.4021 -0.5696106 1.984080 
1 1 1   21    7  -22 o   28.604   1.1652  110.101   8.9517  113.072   12.679  107.148   12.640   28.912   1.6395   28.137   1.6802 0.7751598 2.347586 
1 1 1   21    7  -21 o   62.360   0.9756  522.940   16.340  523.312   23.136  522.570   23.080   62.341   1.3817   62.297   1.3794 0.4396439E-01 1.952402 
1 1 1   21    7  -20 o   37.083   1.0030  184.914   9.9896  185.150   14.096  184.676   14.159   37.082   1.4153   37.034   1.4234 0.4797363E-01 2.007274 
1 1 1   21    7  -19 o   20.302   1.4175   55.758   7.6809   47.169   10.472   65.758   11.300   18.568   2.1389   21.994   1.9324 -3.425737 2.882528 
1 1 1   21    7  -18 o   55.580   0.9484  415.296   14.159  409.714   20.083  420.812   19.965   55.176   1.3552   55.920   1.3292 -0.7445526 1.898236 
1 1 1   21    7  -17 o  108.577   1.2185  1585.79   35.533  1582.00   50.207  1589.59   50.297  108.358   1.7251  108.618   1.7240 -0.2598801 2.438905 
1 1 1   21    7  -16 o   81.358   1.0134  889.878   22.145  883.885   27.502  900.928   37.345   81.059   1.2632   81.781   1.7002 -0.7220840 2.118052 
1 1 1   21    7  -15 o   66.447   0.9935  593.534   17.732  620.506   22.967  553.736   27.899   67.919   1.2590   64.128   1.6198 3.791824 2.051518 
1 1 1   21    7  -14 o   51.667   0.7235  358.682   10.040  356.084   13.758  361.642   14.685   51.468   0.9953   51.865   1.0542 -0.3970566 1.449763 
1 1 1   21    7  -13 o   44.514   0.7006  266.225   8.3768  271.936   11.762  260.346   11.933   44.979   0.9736   44.008   1.0095 0.9704132 1.402524 
1 1 1   21    7  -12 o   80.671   0.8544  874.551   18.512  854.254   27.337  891.744   25.160   79.696   1.2771   81.438   1.1502 -1.741516 1.718720 
1 1 1   21    7  -11 o   31.621   1.0414  134.410   8.8444  130.193   10.243  146.764   17.532   31.115   1.2257   32.940   1.9910 -1.825155 2.338015 
1 1 1   21    7  -10 o   66.985   0.8240  602.940   14.825  611.943   19.303  589.996   23.146   67.470   1.0652   66.233   1.3011 1.237038 1.681535 
1 1 1   21    7   -9 o   46.249   0.8477  287.434   10.530  290.106   12.484  280.846   19.602   46.458   1.0005   45.681   1.5976 0.7775612 1.885032 
1 1 1   21    7   -8 o   18.074   1.0548   44.059   5.0982   36.587   7.0279   52.359   7.4068   16.409   1.6155   19.679   1.4107 -3.269571 2.144773 
1 1 1   21    7   -7 o   48.532   0.7480  316.453   9.7501  310.792   14.526  321.094   13.153   48.082   1.1248   48.877   1.0019 -0.7955475 1.506336 
1 1 1   21    7   -6 o   73.482   0.8156  725.527   16.097  725.071   21.841  726.069   23.816   73.443   1.1072   73.486   1.2066 -0.4383087E-01 1.637659 
1 1 1   21    7   -5 o   83.760   0.8323  942.697   18.725  933.989   26.421  951.485   26.541   83.350   1.1802   84.127   1.1746 -0.7774963 1.665082 
1 1 1   21    7   -4 o   35.117   0.7545  165.688   7.1170  164.873   10.138  166.480   9.9935   35.023   1.0777   35.194   1.0572 -0.1708565 1.509691 
1 1 1   21    7   -3 o   48.342   0.8098  314.002   10.515  315.762   15.001  312.303   14.742   48.465   1.1524   48.200   1.1387 0.2655907 1.620101 
1 1 1   21    7   -2 o   30.329   0.7880  123.588   6.4189  121.367   9.1647  125.727   8.9932   30.047   1.1356   30.584   1.0948 -0.5360394 1.577383 
1 1 1   21    7   -1 o   27.666   0.8295  102.842   6.1637  105.194   8.8240  100.602   8.6133   27.973   1.1744   27.356   1.1723 0.6173477 1.659386 
1 1 1   21    7    0 o   20.246   1.0203   55.229   5.5302   53.004   7.9385   57.326   7.7083   19.793   1.5045   20.598   1.4016 -0.8052731 2.056248 
1 1 1   21    7    1 o   86.961   0.8918  1016.17   20.830  1026.32   31.127  1007.95   28.033   87.362   1.3265   86.587   1.2054 0.7755280 1.792381 
1 1 1   21    7    2 o  145.170   1.2732  2833.65   49.643  2820.41   67.021  2849.74   73.894  144.757   1.7238  145.475   1.8912 -0.7176819 2.558881 
1 1 1   21    7    3 o   83.615   0.8383  939.427   18.826  960.009   26.928  919.749   26.330   84.504   1.1864   82.713   1.1852 1.790802 1.676982 
1 1 1   21    7    4 o  120.014   1.0522  1935.95   33.919  1949.56   48.123  1922.51   47.815  120.384   1.4883  119.546   1.4892 0.8380356 2.105390 
1 1 1   21    7    5 o   67.794   0.7670  617.508   13.966  627.582   19.941  607.808   19.566   68.329   1.0865   67.244   1.0833 1.084915 1.534335 
1 1 1   21    7    6 o   18.232   1.0982   44.846   5.3529   36.385   7.5630   53.340   7.5773   16.347   1.7496   19.862   1.4299 -3.514736 2.259610 
1 1 1   21    7    7 o   99.199   1.0613  1322.74   28.278  1335.91   42.807  1312.53   37.667   99.634   1.5996   98.780   1.4197 0.8539658 2.138756 
1 1 1   21    7    8 o   35.883   0.9214  173.044   8.8809  160.094   12.465  186.395   12.656   34.501   1.3451   37.230   1.2656 -2.729462 1.846955 
1 1 1   21    7    9 o   44.924   0.7775  271.167   9.3820  285.224   14.120  260.054   12.554   46.060   1.1413   43.984   1.0627 2.076008 1.559455 
1 1 1   21    7   10 o   70.964   0.8618  676.743   16.425  670.758   23.165  682.795   23.294   70.627   1.2211   71.258   1.2171 -0.6311722 1.724086 
1 1 1   21    7   11 o   60.604   0.7847  493.517   12.773  488.595   18.795  497.742   17.412   60.281   1.1608   60.849   1.0654 -0.5673943 1.575616 
1 1 1   21    7   12 o   64.105   0.8064  552.211   13.884  556.699   20.795  548.601   18.650   64.341   1.2033   63.880   1.0870 0.4618645 1.621595 
1 1 1   21    7   13 o   95.304   0.9482  1220.81   24.273  1231.23   36.227  1212.33   32.698   95.660   1.4100   94.938   1.2823 0.7216034 1.905853 
1 1 1   21    7   14 o   34.592   0.8324  160.807   7.7342  157.329   11.493  163.686   10.456   34.201   1.2511   34.891   1.1158 -0.6895790 1.676359 
1 1 1   21    7   15 o   66.459   0.8527  593.594   15.221  603.897   24.275  586.919   19.539   66.996   1.3490   66.068   1.1011 0.9282074 1.741302 
1 1 1   21    7   16 o   81.092   0.9762  883.993   21.263  892.263   32.084  877.516   28.393   81.419   1.4671   80.762   1.3089 0.6569977 1.966168 
1 1 1   21    7   17 o   44.880   0.8007  270.692   9.6517  277.276   14.393  265.311   13.011   45.404   1.1802   44.418   1.0906 0.9853973 1.606931 
1 1 1   21    7   18 o  108.288   1.0344  1576.73   30.086  1535.76   43.935  1612.91   41.286  106.793   1.5317  109.466   1.4042 -2.673309 2.077963 
1 1 1   21    7   19 o   41.697   0.8698  233.708   9.7407  251.651   13.878  216.285   13.675   43.250   1.1947   40.092   1.2700 3.158703 1.743560 
1 1 1   21    7   20 o   54.853   0.8827  404.487   13.004  414.928   19.081  395.431   17.770   55.526   1.2795   54.210   1.2205 1.315037 1.768203 
1 1 1   21    7   21 o   34.224   0.9615  157.502   8.8385  159.546   11.980  155.062   13.093   34.427   1.2956   33.931   1.4367 0.4962769 1.934561 
1 1 1   21    7   22 o   5.3384   2.3116  -0.8392   6.1054  -1.7662   8.1308   0.3591   9.2447   6.0358   2.6398   6.8438   2.9011 -0.8080606 3.922323 
1 1 1   21    7   23 o   17.028   1.5053   39.387   6.8138   42.945   9.1222   34.896   10.248   17.722   1.9486   15.854   2.4885 1.868032 3.160617 
1 1 1   21    7   24 o   58.885   0.8697  466.291   13.756  485.314   19.332  446.783   19.577   60.038   1.1988   57.597   1.2655 2.441017 1.743159 
1 1 1   21    7   25 o   16.490   1.4732   36.959   6.4561   33.211   9.2244   40.558   9.0391   15.487   2.2863   17.200   1.9935 -1.713348 3.033373 
1 1 1   21    7   26 o   42.098   0.8018  238.314   9.0657  237.900   12.495  238.773   13.173   42.036   1.1067   42.107   1.1648 -0.7138062E-01 1.606709 
1 1 1   21    7   27 o   52.715   0.7854  373.692   11.120  357.665   15.201  392.142   16.310   51.539   1.0981   53.962   1.1253 -2.423302 1.572325 
1 1 1   21    7   28 o   21.372   1.4319   61.903   8.1717   61.500   11.584   62.302   11.529   21.199   2.0605   21.342   2.0360 -0.1435680 2.896694 
1 1 1   21    7   29 o   43.536   0.8605  255.005   10.063  276.269   14.762  236.547   13.753   45.275   1.2139   41.893   1.2223 3.382156 1.722633 
1 1 1   21    7   30 o   42.546   0.8107  243.506   9.2640  234.234   12.588  254.460   13.683   41.697   1.1240   43.454   1.1723 -1.756886 1.624114 
1 1 1   21    7   31 o   15.755   1.6086   33.903   6.7113   33.364   9.5663   34.426   9.4179   15.476   2.3775   15.744   2.2946 -0.2680340 3.304153 
1 1 1   21    7   32 o   44.250   0.8823  263.521   10.486  257.993   15.275  268.449   14.422   43.728   1.3006   44.620   1.2033 -0.8922882 1.771876 
1 1 1   21    7   33 o   25.199   1.2276   85.651   8.3084   88.935   13.086   83.433   10.754   25.526   1.9227   24.778   1.6249 0.7484875 2.517397 
1 1 1   21    7   34 o   25.760   1.2302   89.533   8.5112   94.053   12.034   85.009   12.040   26.290   1.7136   24.969   1.8074 1.320131 2.490602 
1 1 1   21    7   35 o   25.025   1.1838   84.498   7.9568   85.218   11.228   83.773   11.277   25.018   1.6807   24.799   1.7034 0.2186184 2.393011 
1 1 1   21    7   36 o   14.370   1.7362   28.425   6.5650   23.022   8.8207   35.134   9.8297   12.705   2.6697   15.848   2.3830 -3.143014 3.578571 
1 1 1   21    7   37 o   48.512   0.9560  317.169   12.457  316.106   17.539  318.253   17.696   48.346   1.3506   48.508   1.3583 -0.1619797 1.915491 
1 1 1   21    7   38 o   29.831   1.0114  120.008   8.1037  124.673   10.835  114.086   12.208   30.360   1.3288   28.959   1.5754 1.400967 2.060983 
1 1 1   21    7   39 f   51.848   0.8413  362.086   11.715  356.032   15.894  369.287   17.335   51.346   1.1525   52.271   1.2347 -0.9255447 1.689036 
1 1 1   21    7   40 o   4.4556   2.1090  -7.7131   6.7037  -2.4701   8.1742 -18.4827   11.715   5.8734   2.6045   5.4106   2.6198 0.4627399 3.694169 
1 1 1   21    7   41 o   32.638   1.0195  143.702   8.9374  127.998   11.406  168.679   14.385   30.745   1.3812   35.264   1.5187 -4.518906 2.052867 
1 1 1   21    7   42 o   13.008   2.1459   23.759   7.2358   25.101   9.2360   21.628   11.643   13.239   2.6892   12.193   3.4177 1.045767 4.348895 
1 1 1   21    7   43 o   30.301   1.1013  124.003   8.9634  121.637   11.360  127.905   14.590   29.957   1.4119   30.586   1.7837 -0.6288300 2.274858 
1 1 1   21    7   44 o   37.090   0.9653  185.611   9.6163  194.888   13.099  174.769   14.162   37.937   1.2856   35.880   1.4695 2.056767 1.952447 
1 1 1   21    7   45 o   37.262   1.1502  187.841   11.511  194.049   14.540  177.417   18.842   37.797   1.4323   35.914   1.9607 1.883183 2.428152 
1 1 1   21    7   46 o   43.710   1.0994  258.556   12.907  255.421   16.452  263.574   20.814   43.336   1.4135   43.868   1.7665 -0.5317078 2.262362 
1 1 1   21    7   47 o   40.683   1.1289  224.356   12.335  230.786   16.802  216.840   18.167   41.107   1.5218   39.762   1.7011 1.344208 2.282446 
1 1 1   21    7   48 o   17.201   2.1077   41.758   9.5337   44.766   12.293   37.218   15.102   17.565   2.6915   15.516   3.6796 2.049005 4.558891 
1 1 1   21    7   49 o   11.279   3.3181   19.403   10.723   29.181   16.040   11.501   14.419   13.492   4.0796   9.7931   3.8116 3.698888 5.583133 
1 1 1   21    7   50 o   7.4352   3.3610  -3.9260   14.337   9.8114   18.358 -25.4000   22.953   10.008   4.1543   7.7012   3.7136 2.306450 5.572168 
1 1 1   21    7   51 o   9.6266   3.6449   12.644   12.937   19.218   19.057   7.0237   17.620   11.342   4.3909   9.3951   3.9947 1.946481 5.936182 
1 1 1   21    8  -47 o   17.181   4.1203   46.866   18.768   0.0000   0.0000   46.866   18.768  ?   ?    17.181   4.1203 0.000000 4.120264 
1 1 1   21    8  -46 o   23.619   3.2124   81.794   19.851   0.0000   0.0000   81.794   19.851  ?   ?    23.619   3.2124 0.000000 3.212434 
1 1 1   21    8  -45 o   11.178   3.5103   18.221   11.739   8.1712   16.364   28.877   16.850   9.7977   3.9786   13.749   4.1867 -3.951147 5.775669 
1 1 1   21    8  -44 o   24.651   1.7847   83.506   11.737   79.921   14.542   90.206   19.879   23.939   2.2897   25.125   3.0054 -1.186523 3.778193 
1 1 1   21    8  -43 o   13.880   2.7974   27.785   10.069   31.596   12.926   21.905   16.056   14.650   3.3568   12.389   4.1235 2.261280 5.317072 
1 1 1   21    8  -42 o   28.830   1.3608  112.615   10.537  119.150   14.642  105.595   15.177   29.487   1.8583   27.690   2.0553 1.797506 2.770809 
1 1 1   21    8  -41 o   9.4996   3.0682   12.407   8.9181   16.209   11.957   7.6396   13.389   10.820   3.5563   9.2318   3.6489 1.588091 5.095256 
1 1 1   21    8  -40 o   14.385   2.7221   29.571   10.132   38.144   12.444   12.707   17.453   16.314   2.9483   10.899   4.2070 5.415181 5.137278 
1 1 1   21    8  -39 o   21.412   1.7147   62.760   9.7789   61.421   14.000   64.035   13.665   20.948   2.5401   21.435   2.4157 -0.4871559 3.505425 
1 1 1   21    8  -38 o   5.9609   2.7018  -4.8534   9.3353   8.3695   16.740 -10.8215   11.246   10.076   4.0476   5.9444   2.7881 4.131216 4.914907 
1 1 1   21    8  -37 o   37.668   1.3436  192.005   13.593  180.941   22.186  198.655   17.200   36.239   2.2911   38.235   1.6748 -1.996017 2.838009 
1 1 1   21    8  -36 o   44.282   1.1062  264.631   13.156  272.775   18.679  256.614   18.534   44.852   1.5505   43.493   1.5865 1.358715 2.218374 
1 1 1   21    8  -35 o   40.546   1.3668  222.342   14.885  209.615   16.844  267.700   31.799   39.319   1.5950   43.966   2.7059 -4.647366 3.141002 
1 1 1   21    8  -34 o   37.422   1.1266  188.905   11.323  170.431   15.539  209.824   16.535   35.459   1.6315   39.359   1.5641 -3.899895 2.260171 
1 1 1   21    8  -33 o   70.447   1.0504  668.879   19.875  664.491   27.897  673.402   28.324   70.090   1.4819   70.554   1.4946 -0.4640198 2.104728 
1 1 1   21    8  -32 o   16.456   1.9285   37.269   8.3626   50.659   11.557   22.554   12.116   19.138   2.2941   12.534   3.4770 6.604253 4.165584 
1 1 1   21    8  -31 o   11.893   2.5498   20.066   7.9003   7.5664   11.299   32.025   11.051   8.8307   3.3912   15.035   2.8407 -6.204024 4.423819 
1 1 1   21    8  -30 o   27.940   1.2470  105.286   9.3583  113.855   13.057   96.236   13.419   28.955   1.6863   26.573   1.8926 2.382444 2.534808 
1 1 1   21    8  -29 o   36.448   1.1555  179.036   11.312  167.999   14.963  193.758   17.282   35.252   1.5803   37.839   1.7005 -2.586578 2.321401 
1 1 1   21    8  -28 f   22.506   2.0325   69.279   12.154   76.263   16.704   61.425   17.716   23.467   2.6994   20.875   3.2668 2.592176 4.237759 
1 1 1   21    8  -27 o   37.990   1.0550  194.355   10.765  197.774   15.122  190.841   15.328   38.274   1.4710   37.591   1.5181 0.6833229 2.113896 
1 1 1   21    8  -26 o   9.1846   2.7768   11.626   7.4317   20.608   10.499   2.6052   10.521   12.032   3.1950   7.6576   3.1590 4.374798 4.492973 
1 1 1   21    8  -25 o   18.156   1.6775   44.915   8.0875   49.012   11.400   40.763   11.475   18.860   2.2980   17.115   2.5761 1.744310 3.452136 
1 1 1   21    8  -24 o   66.530   1.1410  596.035   20.388  623.643   25.555  547.693   33.816   68.007   1.3991   63.603   1.9795 4.404388 2.423999 
1 1 1   21    8  -23 o   79.355   1.2070  848.074   25.727  819.475   43.655  863.291   31.844   77.786   2.0895   80.006   1.4819 -2.219971 2.561632 
1 1 1   21    8  -22 o   23.133   1.4757   72.441   9.1216   50.947   14.256   87.341   11.869   19.135   2.8616   25.372   1.7524 -6.237389 3.355598 
1 1 1   21    8  -21 o   20.098   1.4358   54.708   7.6996   49.522   10.613   60.470   11.187   19.017   2.1136   21.056   2.0022 -2.038588 2.911414 
1 1 1   21    8  -20 o   19.907   1.4888   53.699   7.9029   50.497   11.007   57.106   11.353   19.201   2.1726   20.446   2.0971 -1.245464 3.019605 
1 1 1   21    8  -19 o   74.804   1.0932  752.777   21.965  765.163   29.100  736.377   33.485   75.369   1.4375   73.896   1.6871 1.473099 2.216440 
1 1 1   21    8  -18 o   24.584   1.2741   81.561   8.3841   79.141   12.382   83.609   11.393   24.139   1.9258   24.843   1.7181 -0.7039337 2.580778 
1 1 1   21    8  -17 o  110.668   1.2150  1647.90   36.114  1654.62   45.556  1636.55   59.247  110.831   1.5304  110.106   2.0034 0.7253342 2.521011 
1 1 1   21    8  -16 o   43.683   0.9742  256.563   11.430  252.344   16.192  260.752   16.137   43.296   1.3924   44.014   1.3650 -0.7174454 1.949861 
1 1 1   21    8  -15 o   13.410   1.2623   24.409   4.4933   18.841   5.5830   34.648   7.5705   11.681   1.8404   15.932   1.8008 -4.250387 2.574829 
1 1 1   21    8  -14 o   43.209   0.7582  250.900   8.7995  261.619   13.477  242.934   11.618   44.105   1.1376   42.507   1.0176 1.598083 1.526338 
1 1 1   21    8  -13 o   61.679   0.7763  511.236   12.860  516.805   19.269  506.764   17.268   61.989   1.1573   61.392   1.0472 0.5970955 1.560780 
1 1 1   21    8  -12 o   57.023   0.7639  436.948   11.700  432.255   15.581  443.014   17.716   56.702   1.0230   57.395   1.1492 -0.6930656 1.538581 
1 1 1   21    8  -11 f   32.464   0.7342  141.616   6.4019  137.948   9.0004  145.373   9.1079   32.032   1.0461   32.883   1.0312 -0.8512955 1.468950 
1 1 1   21    8  -10 o   38.119   0.7157  195.238   7.3277  195.062   10.360  195.416   10.366   38.092   1.0126   38.127   1.0123 -0.3456879E-01 1.431772 
1 1 1   21    8   -9 o   72.867   0.8185  713.512   16.019  716.289   23.910  711.251   21.577   72.979   1.2198   72.732   1.1045 0.2476044 1.645580 
1 1 1   21    8   -8 o   26.526   0.9030   94.568   6.4337   98.401   8.3879   89.091   10.027   27.052   1.1544   25.689   1.4593 1.362499 1.860699 
1 1 1   21    8   -7 o   82.575   1.0843  916.731   24.048  901.463   28.527  954.226   44.705   81.865   1.2974   84.139   1.9782 -2.273911 2.365669 
1 1 1   21    8   -6 o   36.073   0.8771  174.881   8.4978  172.052   11.700  178.040   12.363   35.769   1.2179   36.384   1.2651 -0.6151085 1.756009 
1 1 1   21    8   -5 o   41.101   0.8587  227.012   9.4792  224.783   12.991  229.550   13.862   40.886   1.1830   41.314   1.2492 -0.4282150 1.720486 
1 1 1   21    8   -4 o   86.423   0.9856  1003.93   22.879  994.373   30.657  1015.95   34.372   85.980   1.3275   86.892   1.4728 -0.9120331 1.982774 
1 1 1   21    8   -3 o   62.272   0.8271  521.088   13.833  531.323   19.730  511.192   19.400   62.861   1.1686   61.659   1.1714 1.202560 1.654630 
1 1 1   21    8   -2 o   68.223   0.8470  625.458   15.520  626.227   22.067  624.705   21.833   68.243   1.2039   68.161   1.1926 0.8214569E-01 1.694590 
1 1 1   21    8   -1 o   9.6527   2.0700   13.041   5.2058   8.8204   8.2780   15.801   6.6955   8.5243   2.9586   10.611   2.4048 -2.086814 3.812655 
1 1 1   21    8    0 o   49.978   0.7659  335.615   10.281  344.147   15.572  329.022   13.689   50.593   1.1459   49.474   1.0301 1.118771 1.540892 
1 1 1   21    8    1 o   25.663   1.0141   88.527   6.9903   93.173   10.173   84.369   9.6219   26.276   1.4470   25.001   1.4390 1.275455 2.040686 
1 1 1   21    8    2 o   34.068   0.8146  155.956   7.4535  150.681   11.321  159.992   9.9027   33.473   1.2592   34.498   1.0687 -1.025417 1.651583 
1 1 1   21    8    3 o   47.803   0.7691  307.045   9.8751  320.019   15.047  297.230   13.088   48.787   1.1483   47.023   1.0362 1.764046 1.546763 
1 1 1   21    8    4 o   72.995   0.8301  716.001   16.276  733.363   24.548  702.382   21.742   73.846   1.2376   72.279   1.1199 1.567642 1.669113 
1 1 1   21    8    5 o   64.071   0.7967  551.608   13.711  572.126   20.822  535.900   18.218   65.228   1.1885   63.137   1.0743 2.091381 1.602066 
1 1 1   21    8    6 o   38.921   0.8516  203.570   8.9025  204.648   13.759  202.793   11.676   39.006   1.3133   38.837   1.1194 0.1687851 1.725584 
1 1 1   21    8    7 o   58.363   0.7434  457.675   11.653  461.610   16.573  453.827   16.388   58.598   1.0530   58.102   1.0502 0.4959106 1.487170 
1 1 1   21    8    8 o   50.602   0.7724  344.072   10.498  334.429   15.546  352.156   14.233   49.870   1.1606   51.182   1.0353 -1.311375 1.555287 
1 1 1   21    8    9 o   21.350   1.1337   61.465   6.4778   63.738   9.1530   59.184   9.1691   21.702   1.5811   20.901   1.6466 0.8010063 2.282859 
1 1 1   21    8   10 o   85.544   0.8932  983.534   20.522  1004.31   30.724  966.793   27.576   86.402   1.3239   84.785   1.2109 1.617317 1.794186 
1 1 1   21    8   11 f   83.876   0.9334  945.631   21.028  954.353   29.797  936.978   29.680   84.225   1.3172   83.454   1.3241 0.7710037 1.867674 
1 1 1   21    8   12 o   82.164   0.8805  907.365   19.431  905.381   26.173  909.801   29.004   82.047   1.1877   82.234   1.3132 -0.1865005 1.770591 
1 1 1   21    8   13 o   78.404   0.9084  826.271   19.130  856.923   27.383  797.047   26.737   79.810   1.2774   76.969   1.2933 2.840469 1.817813 
1 1 1   21    8   14 o   40.835   0.9222  224.155   10.114  215.093   15.300  231.188   13.479   39.975   1.4250   41.457   1.2106 -1.481781 1.869798 
1 1 1   21    8   15 o   8.8059   2.6277   10.617   6.6872   5.0223   8.4291   20.117   10.984   7.5645   2.9226   11.980   3.3059 -4.415147 4.412528 
1 1 1   21    8   16 o   46.197   0.8944  286.890   11.098  280.874   14.524  295.331   17.204   45.693   1.1834   46.841   1.3675 -1.147713 1.808426 
1 1 1   21    8   17 o   25.857   1.0677   89.917   7.4152   96.372   10.335   83.069   10.645   26.713   1.4458   24.778   1.6083 1.935633 2.162612 
1 1 1   21    8   18 o  104.745   1.0685  1475.73   30.060  1445.69   41.877  1507.65   43.174  103.595   1.5050  105.788   1.5195 -2.193268 2.138680 
1 1 1   21    8   19 o   17.409   1.5419   41.157   7.1349   41.254   9.7914   41.048   10.418   17.339   2.1485   17.267   2.3038 0.7162857E-01 3.150152 
1 1 1   21    8   20 o   66.102   0.8625  587.479   15.313  586.609   21.807  588.325   21.507   66.013   1.2299   66.112   1.2112 -0.9881592E-01 1.726151 
1 1 1   21    8   21 o   71.282   0.8534  683.203   16.339  673.564   23.943  691.604   22.353   70.726   1.2604   71.681   1.1610 -0.9552994 1.713612 
1 1 1   21    8   22 o   55.418   0.8156  412.945   12.140  412.301   17.818  413.503   16.585   55.337   1.1988   55.427   1.1141 -0.9038544E-01 1.636543 
1 1 1   21    8   23 o   36.258   0.8821  176.813   8.5901  196.265   12.640  160.119   11.710   38.172   1.2328   34.476   1.2646 3.696465 1.766063 
1 1 1   21    8   24 o   7.0408   2.5425   5.6412   6.1632   5.4860   8.8842   5.7852   8.5572   7.7777   3.0017   7.7571   2.9578 0.2056074E-01 4.214156 
1 1 1   21    8   25 o   53.676   0.8317  387.505   11.990  382.402   17.464  392.057   16.492   53.274   1.2205   53.954   1.1380 -0.6799202 1.668736 
1 1 1   21    8   26 o   59.312   0.9279  473.390   14.782  472.928   22.411  473.746   19.667   59.205   1.4093   59.288   1.2350 -0.8294678E-01 1.873876 
1 1 1   21    8   27 o   81.254   1.0124  888.878   22.094  883.933   32.771  892.998   29.915   80.904   1.5081   81.358   1.3690 -0.4535217 2.036767 
1 1 1   21    8   28 f   18.760   1.2900   47.686   6.4605   54.676   8.6984   39.085   9.6484   20.045   1.6298   16.822   2.1872 3.223202 2.727651 
1 1 1   21    8   29 o   5.9520   2.3871   2.3408   5.8123  -3.8462   7.6031   11.041   9.0161   5.4427   2.4551   9.2107   3.0902 -3.768003 3.946799 
1 1 1   21    8   30 o   50.235   0.8322  339.547   11.228  343.414   15.966  335.764   15.793   50.471   1.1778   49.906   1.1782 0.5654068 1.665923 
1 1 1   21    8   31 o   6.3025   2.4384   3.5364   5.8736  -7.3284   7.6215   19.427   9.2171   4.9428   2.3109   11.659   2.9431 -6.716036 3.741913 
1 1 1   21    8   32 o   42.328   0.8827  241.186   10.035  234.999   14.397  247.033   13.996   41.726   1.2846   42.792   1.2177 -1.066036 1.770064 
1 1 1   21    8   33 o   27.303   1.1215  100.525   8.2244  111.684   12.052   90.800   11.251   28.680   1.5705   25.840   1.6295 2.840168 2.263104 
1 1 1   21    8   34 o   27.590   1.1091  102.665   8.2190  100.390   11.840  104.782   11.418   27.167   1.6302   27.776   1.5364 -0.6092854 2.240138 
1 1 1   21    8   35 o   60.719   0.8870  496.601   14.465  499.905   21.457  493.848   19.584   60.814   1.3137   60.475   1.2057 0.3386002 1.783100 
1 1 1   21    8   36 o   23.605   1.5076   75.810   9.5082   73.037   14.349   77.981   12.696   22.952   2.3613   23.825   2.0025 -0.8736229 3.096061 
1 1 1   21    8   37 o   21.695   1.4511   64.049   8.4070   58.120   10.917   72.688   13.178   20.537   2.0047   22.944   2.1640 -2.406401 2.949882 
1 1 1   21    8   38 o   18.534   1.6522   47.037   8.1386   48.691   10.769   44.835   12.427   18.730   2.1816   17.817   2.6799 0.9130611 3.455634 
1 1 1   21    8   39 o   26.406   1.1817   94.226   8.3810   93.490   10.561   95.479   13.775   26.211   1.5064   26.371   1.9588 -0.1601601 2.471065 
1 1 1   21    8   40 o   27.799   1.0877  104.333   8.1212  112.547   10.717   93.258   12.445   28.825   1.3843   26.108   1.7855 2.717974 2.259281 
1 1 1   21    8   41 o   4.8786   2.2273  -4.0669   6.4924  -8.5712   8.3291   2.9073   10.364   5.0680   2.3842   7.5815   3.1321 -2.513465 3.936281 
1 1 1   21    8   42 o   12.492   2.1687   22.006   7.0127   32.639   9.1996   7.2574   10.835   15.234   2.3218   8.5660   3.3124 6.667727 4.045101 
1 1 1   21    8   43 o   34.044   1.0043  156.459   9.1833  161.316   12.284  150.306   13.826   34.502   1.3256   33.249   1.5482 1.252670 2.038183 
1 1 1   21    8   44 o   30.267   1.1823  124.014   9.6111  116.290   12.811  133.958   14.536   29.158   1.6425   31.268   1.7377 -2.109777 2.391129 
1 1 1   21    8   45 o   32.054   1.1637  139.202   10.019  125.438   13.338  157.024   15.177   30.254   1.6476   33.889   1.6674 -3.635416 2.344093 
1 1 1   21    8   46 o   12.292   2.8515   22.299   9.2321   14.948   13.089   29.578   13.024   10.453   3.7128   13.962   3.4842 -3.508951 5.091631 
1 1 1   21    8   47 o   17.483   2.3191   43.574   10.622   36.450   15.824   49.415   14.329   15.251   3.8597   18.293   3.0218 -3.041876 4.901931 
1 1 1   21    8   48 o   7.9615   3.3614   3.2789   12.333   7.5127   17.916  -0.5340   17.002   9.7205   4.0750   8.5235   3.7692 1.197025 5.550840 
1 1 1   21    8   49 o   8.9657   3.5332   9.1638   12.518   12.009   18.155   6.5848   17.283   10.280   4.1844   9.3824   3.9713 0.8971653 5.768893 
1 1 1   21    8   50 f   8.5651   3.6338   5.0454   14.524   17.472   18.640 -14.1600   23.173   11.019   4.3212   8.3649   3.9478 2.653952 5.853013 
1 1 1   21    9  -46 o   30.488   2.6569  133.401   21.539   0.0000   0.0000  133.401   21.539  ?   ?    30.488   2.6569 0.000000 2.656919 
1 1 1   21    9  -45 o   16.445   4.2712   42.884   19.035   0.0000   0.0000   42.884   19.035  ?   ?    16.445   4.2712 0.000000 4.271156 
1 1 1   21    9  -44 o   25.236   1.7750   87.744   11.955  109.984   15.318   53.091   19.121   28.159   2.0391   18.653   3.9399 9.505268 4.436307 
1 1 1   21    9  -43 o   17.331   2.3635   42.358   10.715   43.730   13.468   39.993   17.686   17.380   2.9933   16.180   4.0727 1.199997 5.054367 
1 1 1   21    9  -42 f   51.493   1.2227  358.952   16.910  347.561   20.939  380.313   28.673   50.550   1.5422   52.637   2.0281 -2.086224 2.547894 
1 1 1   21    9  -41 f   38.255   1.1731  197.883   12.053  194.305   16.931  201.558   17.163   37.776   1.6687   38.477   1.6607 -0.7011032 2.354267 
1 1 1   21    9  -40 o   7.5140   2.9554   4.9054   8.7432   6.4509   12.170   3.2569   12.569   8.7227   3.4690   8.2563   3.4332 0.4663410 4.880617 
1 1 1   21    9  -39 o   23.860   1.7963   78.017   11.427   75.291   13.849   83.832   20.229   23.308   2.2397   24.244   3.1835 -0.9357681 3.892402 
1 1 1   21    9  -38 o   26.840   1.4372   97.940   10.323   93.117   14.173  103.390   15.067   26.007   2.0455   27.406   2.0619 -1.399700 2.904425 
1 1 1   21    9  -37 o   43.509   1.2841  256.121   15.006  250.158   26.094  259.068   18.342   42.600   2.2890   43.680   1.5634 -1.080265 2.771917 
1 1 1   21    9  -36 o   46.668   1.1445  294.170   14.346  283.819   21.123  303.033   19.546   45.675   1.7218   47.257   1.5399 -1.581608 2.309977 
1 1 1   21    9  -35 o   24.261   1.8708   80.662   12.096   79.667   17.364   81.601   16.861   23.832   2.7641   24.167   2.6405 -0.3352833 3.822641 
1 1 1   21    9  -34 o   30.903   1.4276  129.296   11.850  138.673   14.691  111.838   20.046   31.901   1.7210   28.345   2.6643 3.556070 3.171792 
1 1 1   21    9  -33 o   62.842   1.0480  532.520   17.689  521.613   25.043  543.379   24.988   62.062   1.5023   63.356   1.4684 -1.293430 2.100800 
1 1 1   21    9  -32 o   33.764   1.1428  153.793   10.364  150.523   14.397  157.309   14.931   33.330   1.6083   34.068   1.6317 -0.7385864 2.291063 
1 1 1   21    9  -31 o   20.357   1.6020   56.456   8.6886   51.534   12.113   61.672   12.470   19.271   2.3915   21.148   2.2290 -1.876328 3.269217 
1 1 1   21    9  -30 o   74.189   1.0498  741.681   20.919  763.895   29.872  720.302   29.305   75.167   1.4796   72.985   1.4949 2.181313 2.103320 
1 1 1   21    9  -29 o   57.348   1.0116  443.000   15.582  421.163   21.572  466.824   22.532   55.832   1.4385   58.783   1.4271 -2.951450 2.026305 
1 1 1   21    9  -28 o   44.728   1.0260  269.461   12.325  282.634   17.695  257.047   17.178   45.743   1.4403   43.619   1.4662 2.124256 2.055285 
1 1 1   21    9  -27 o   22.543   2.0630   69.587   12.353   70.456   16.934   68.598   18.059   22.487   2.8691   22.110   3.1283 0.3769798 4.244732 
1 1 1   21    9  -26 o   24.226   1.5119   79.589   9.7886   85.264   12.779   71.531   15.227   25.006   1.9172   22.756   2.5345 2.250589 3.177899 
1 1 1   21    9  -25 o   50.319   0.9828  340.859   13.283  342.358   18.727  339.343   18.843   50.370   1.3843   50.145   1.3990 0.2248268 1.968108 
1 1 1   21    9  -24 o   37.962   1.0669  194.058   10.878  190.262   15.295  197.943   15.474   37.537   1.5170   38.288   1.5047 -0.7518082 2.136707 
1 1 1   21    9  -23 o   7.9863   2.9494   6.9318   8.3625   12.689   10.417  -3.5067   14.026   9.8846   3.3216   7.7984   3.4372 2.086155 4.779849 
1 1 1   21    9  -22 o   34.168   1.2103  157.273   11.107  153.163   14.618  162.884   17.083   33.677   1.6161   34.653   1.8420 -0.9755974 2.450448 
1 1 1   21    9  -21 o   20.601   1.9772   57.959   10.806   6.0900   28.958   66.350   11.647   12.384   5.1855   22.052   1.9877 -9.668045 5.553435 
1 1 1   21    9  -20 o   43.838   1.2278  258.817   14.457  252.500   30.464  260.653   16.424   42.998   2.6507   43.975   1.3905 -0.9771004 2.993322 
1 1 1   21    9  -19 o   71.631   1.0128  690.323   19.486  695.393   27.658  685.326   27.458   71.829   1.4336   71.307   1.4337 0.5218201 2.027499 
1 1 1   21    9  -18 o   24.067   0.9118   77.896   5.8943   72.541   6.7977   94.120   11.833   23.219   1.0900   26.359   1.6800 -3.140692 2.002672 
1 1 1   21    9  -17 o   74.116   0.8784  738.596   17.487  729.992   22.123  752.925   28.548   73.656   1.1182   74.759   1.4217 -1.103432 1.808793 
1 1 1   21    9  -16 o   70.150   0.7689  661.439   14.487  683.510   20.787  640.598   20.200   71.280   1.0858   69.006   1.0899 2.274239 1.538397 
1 1 1   21    9  -15 o   32.831   0.8097  144.890   7.1402  133.813   10.626  154.009   9.6411   31.531   1.2547   33.838   1.0608 -2.306427 1.643026 
1 1 1   21    9  -14 o   81.890   0.9656  901.695   21.239  925.007   28.521  872.673   31.823   82.903   1.2809   80.495   1.4719 2.407349 1.951180 
1 1 1   21    9  -13 o   15.809   1.2586   33.844   5.2999   24.827   6.7871   47.937   8.4844   13.428   1.9379   18.782   1.7002 -5.354389 2.578028 
1 1 1   21    9  -12 o   44.859   0.7949  270.452   9.5780  291.167   15.505  257.668   12.180   46.519   1.2409   43.774   1.0360 2.745213 1.616501 
1 1 1   21    9  -11 o   32.013   0.8189  137.736   7.0411  146.784   10.536  130.436   9.4649   33.033   1.1876   31.141   1.1316 1.891432 1.640354 
1 1 1   21    9  -10 o   36.030   0.8411  174.477   8.1392  178.633   13.713  172.217   10.113   36.430   1.4015   35.787   1.0521 0.6426620 1.752449 
1 1 1   21    9   -9 o   79.615   0.8189  851.881   17.512  828.601   26.928  868.943   23.052   78.477   1.2775   80.387   1.0677 -1.909851 1.664902 
1 1 1   21    9   -8 o   22.037   0.9973   65.287   5.9030   63.322   9.1754   66.674   7.7105   21.626   1.5908   22.223   1.2974 -0.5970421 2.052757 
1 1 1   21    9   -7 o   55.524   0.7776  414.298   11.596  420.047   17.225  409.532   15.683   55.887   1.1475   55.189   1.0580 0.6981087 1.560806 
1 1 1   21    9   -6 o   83.926   0.9223  946.773   20.790  929.292   29.305  964.488   29.501   83.109   1.3128   84.670   1.2972 -1.561012 1.845574 
1 1 1   21    9   -5 o   49.181   0.7581  325.020   10.013  334.367   15.211  317.872   13.302   49.864   1.1358   48.625   1.0185 1.239090 1.525565 
1 1 1   21    9   -4 o   56.934   0.7437  435.560   11.372  430.159   17.707  439.352   14.837   56.556   1.1657   57.170   0.9662 -0.6137505 1.514081 
1 1 1   21    9   -3 o   30.310   0.8281  123.466   6.7418  128.909   10.778  119.968   8.6411   30.955   1.2963   29.871   1.0770 1.084894 1.685358 
1 1 1   21    9   -2 o   65.329   0.7948  573.532   13.947  576.391   20.923  571.246   18.710   65.466   1.1899   65.182   1.0687 0.2837372 1.599369 
1 1 1   21    9   -1 o  104.559   1.0018  1469.69   28.134  1470.90   41.749  1468.68   38.079  104.538   1.4869  104.478   1.3569 0.5933380E-01 2.012997 
1 1 1   21    9    0 o   73.505   0.9238  726.219   18.239  727.071   24.425  725.146   27.421   73.523   1.2369   73.410   1.3907 0.1123962 1.861159 
1 1 1   21    9    1 o   48.434   0.7789  315.238   10.133  308.501   15.045  320.831   13.709   47.896   1.1695   48.850   1.0448 -0.9546165 1.568248 
1 1 1   21    9    2 o   58.422   0.7894  458.663   12.387  458.643   18.304  458.680   16.826   58.399   1.1669   58.408   1.0726 -0.8590698E-02 1.584951 
1 1 1   21    9    3 o   10.592   2.0633   15.649   5.6589   20.932   8.5809   11.583   7.5278   12.204   2.6902   9.2251   2.7960 2.979062 3.880045 
1 1 1   21    9    4 o   45.967   0.8210  283.957   10.136  269.978   15.609  294.152   13.330   44.798   1.2972   46.774   1.0610 -1.976082 1.675880 
1 1 1   21    9    5 o   34.866   0.9211  163.400   8.6254  164.757   13.202  162.389   11.393   34.990   1.4048   34.746   1.2208 0.2435455 1.861120 
1 1 1   21    9    6 o   70.523   0.8321  668.412   15.761  661.027   23.151  674.792   21.519   70.102   1.2296   70.837   1.1310 -0.7348557 1.670615 
1 1 1   21    9    7 o   8.3260   2.3759   9.5901   5.5748   12.108   8.0334   7.2510   7.7426   9.4472   2.8936   7.9554   2.8524 1.491779 4.063157 
1 1 1   21    9    8 o   87.982   0.9143  1040.50   21.606  1063.55   32.231  1021.69   29.116   88.903   1.3498   87.149   1.2439 1.754028 1.835537 
1 1 1   21    9    9 o   20.960   1.2546   59.312   7.0302   48.486   11.480   65.808   8.8927   18.804   2.3224   22.057   1.5101 -3.252678 2.770186 
1 1 1   21    9   10 o   52.241   0.8783  366.832   12.323  367.498   18.697  366.321   16.386   52.258   1.3321   52.187   1.1690 0.7148743E-01 1.772336 
1 1 1   21    9   11 o   74.634   0.9425  748.855   18.893  748.974   28.205  748.757   25.446   74.592   1.4078   74.598   1.2700 -0.5500793E-02 1.895994 
1 1 1   21    9   12 o   81.861   0.9203  900.881   20.235  890.460   28.511  911.459   28.723   81.344   1.3049   82.298   1.2994 -0.9542847 1.841581 
1 1 1   21    9   13 o   20.901   1.1682   58.954   6.5321   58.221   9.4462   59.625   9.0427   20.713   1.7134   20.974   1.6177 -0.2615643 2.356356 
1 1 1   21    9   14 o   69.384   0.8305  647.110   15.477  653.993   20.841  638.648   23.109   69.727   1.1128   68.889   1.2489 0.8375320 1.672804 
1 1 1   21    9   15 o   24.399   1.0540   80.073   6.9075   90.696   10.291   71.363   9.3182   25.906   1.4853   22.965   1.5192 2.940290 2.124654 
1 1 1   21    9   16 o   20.094   1.2179   54.539   6.5423   57.709   9.7982   51.989   8.7883   20.605   1.7882   19.563   1.6891 1.042171 2.459813 
1 1 1   21    9   17 o  113.322   1.0711  1727.67   32.600  1744.32   48.499  1713.95   44.030  113.746   1.5875  112.787   1.4535 0.9591904 2.152354 
1 1 1   21    9   18 o   49.019   0.8774  323.108   11.552  325.182   17.266  321.428   15.543   49.138   1.3082   48.866   1.1842 0.2719727 1.764623 
1 1 1   21    9   19 o   42.630   0.8596  244.381   9.8428  249.994   14.030  238.941   13.812   43.089   1.2122   42.125   1.2208 0.9641495 1.720416 
1 1 1   21    9   20 o   45.399   0.8225  277.141   10.029  267.463   14.531  285.946   13.860   44.565   1.2140   46.089   1.1197 -1.523678 1.651469 
1 1 1   21    9   21 o   26.105   1.0293   91.712   7.2172   90.381   10.465   92.919   9.9667   25.839   1.5145   26.213   1.4209 -0.3737888 2.076728 
1 1 1   21    9   22 o   45.148   0.8362  274.153   10.140  279.733   14.750  269.152   13.963   45.569   1.2051   44.703   1.1629 0.8653336 1.674694 
1 1 1   21    9   23 o   17.104   1.4554   39.757   6.6226   44.716   9.5380   35.140   9.2025   18.058   2.0001   15.942   2.2085 2.116438 2.979592 
1 1 1   21    9   24 o   32.272   1.0171  140.211   8.8159  142.830   13.896  138.447   11.405   32.514   1.5912   32.041   1.3252 0.4733047 2.070829 
1 1 1   21    9   25 o   19.857   1.4502   53.511   7.6810   60.174   11.470   48.092   10.343   20.958   2.0644   18.708   2.0942 2.249657 2.940613 
1 1 1   21    9   26 o   41.644   0.9186  233.407   10.275  223.502   14.066  244.738   15.044   40.708   1.2865   42.594   1.3150 -1.885944 1.839650 
1 1 1   21    9   27 o   18.448   1.4089   46.215   6.9284   37.954   9.7803   54.536   9.8163   16.551   2.2590   19.976   1.8506 -3.425140 2.920240 
1 1 1   21    9   28 o   47.041   0.8593  297.790   10.857  286.555   15.661  308.187   15.065   46.089   1.2651   47.812   1.1731 -1.722900 1.725289 
1 1 1   21    9   29 o   46.773   0.9598  294.599   12.058  323.620   20.465  279.164   14.925   48.916   1.5576   45.494   1.2214 3.421955 1.979397 
1 1 1   21    9   30 o   58.547   0.8905  461.462   14.003  472.752   21.388  452.992   18.525   59.167   1.3458   57.952   1.1901 1.214649 1.796580 
1 1 1   21    9   31 o   33.673   0.9298  152.706   8.4094  157.256   11.634  147.729   12.169   34.130   1.2691   33.066   1.3703 1.064301 1.867695 
1 1 1   21    9   32 o   39.672   0.8694  211.917   9.2634  207.253   12.638  217.332   13.618   39.186   1.2007   40.117   1.2638 -0.9307556 1.743277 
1 1 1   21    9   33 o   27.074   1.0542   98.843   7.6658  102.677   10.304   94.090   11.472   27.516   1.3988   26.290   1.6327 1.225958 2.149979 
1 1 1   21    9   34 o   10.306   2.3783   15.148   6.4498   22.798   8.4546   4.4985   9.9757   12.647   2.5764   7.8033   3.1282 4.843798 4.052562 
1 1 1   21    9   35 o   31.765   1.0951  136.188   9.3427  133.500   12.238  139.943   14.465   31.390   1.4515   32.046   1.6865 -0.6565933 2.225087 
1 1 1   21    9   36 o   44.206   0.9634  263.508   11.439  274.840   15.534  250.082   16.909   45.076   1.2830   42.951   1.4657 2.125160 1.947970 
1 1 1   21    9   37 o   16.299   1.7728   36.590   7.6357   32.960   9.1081   45.175   14.007   15.332   2.2813   17.752   3.0476 -2.420102 3.806834 
1 1 1   21    9   38 o   33.138   1.0074  148.166   8.9669  147.797   11.939  148.644   13.582   33.037   1.3455   33.092   1.5281 -0.5482864E-01 2.036009 
1 1 1   21    9   39 o   10.356   2.6584   15.427   7.4318   18.022   10.083   12.341   10.997   11.172   3.1978   9.7590   3.4086 1.413182 4.673831 
1 1 1   21    9   40 o   30.013   1.1267  121.698   9.0822  114.182   12.841  129.220   12.847   28.924   1.6598   30.804   1.5578 -1.880051 2.276384 
1 1 1   21    9   41 f   22.958   1.3323   71.641   8.1801   64.220   11.297   79.820   11.860   21.575   1.9713   24.108   1.8456 -2.533381 2.700413 
1 1 1   21    9   42 f   19.307   1.5651   51.037   8.0460   49.011   11.210   53.190   11.556   18.719   2.2764   19.521   2.2449 -0.8021145 3.197110 
1 1 1   21    9   43 o   29.556   1.2127  118.337   9.6270  109.586   12.735  130.006   14.706   28.281   1.6842   30.774   1.7869 -2.493237 2.455467 
1 1 1   21    9   44 o   4.8955   2.3245  -9.5751   8.2698  -2.0676   11.303 -18.2236   12.132   6.9759   3.0796   5.5224   2.6720 1.453484 4.077155 
1 1 1   21    9   45 o   9.9967   2.7827   14.667   7.7466   22.580   9.6339   0.1917   13.030   12.331   2.9486   7.7648   3.3696 4.566229 4.477580 
1 1 1   21    9   46 o   22.220   1.8439   68.717   10.905   86.552   15.286   50.233   15.563   24.708   2.3310   18.279   3.2908 6.428280 4.032773 
1 1 1   21    9   47 o   22.559   2.2895   72.550   13.680   65.980   19.534   78.874   19.165   20.626   3.6600   22.935   3.1982 -2.308882 4.860487 
1 1 1   21    9   48 o   10.187   3.8139   14.484   14.078   11.250   18.006   19.570   22.579   10.126   4.1497   11.775   4.7111 -1.648478 6.278064 
1 1 1   21    9   49 o   25.757   2.1110   94.717   14.476   72.625   21.199  114.020   19.816   21.129   3.8783   27.780   2.6895 -6.650652 4.719541 
1 1 1   21   10  -45 o   38.756   2.3672  212.753   24.523   0.0000   0.0000  212.753   24.523  ?   ?    38.756   2.3672 0.000000 2.367156 
1 1 1   21   10  -44 o   29.706   2.6993  126.299   21.302   0.0000   0.0000  126.299   21.302  ?   ?    29.706   2.6993 0.000000 2.699346 
1 1 1   21   10  -43 o   18.610   2.5752   49.461   12.527   41.153   17.075   59.146   18.436   16.344   3.9364   19.874   3.5858 -3.529432 5.324760 
1 1 1   21   10  -42 o   21.783   1.9386   65.691   11.224   68.629   14.021   60.450   18.728   22.097   2.4010   20.189   3.5850 1.908289 4.314764 
1 1 1   21   10  -41 o   30.279   1.5229  125.032   12.345  130.272   15.300  115.255   20.899   30.794   1.8585   28.574   2.7574 2.220081 3.325238 
1 1 1   21   10  -40 o   20.286   1.7924   56.604   9.6655   59.455   13.546   53.647   13.796   20.571   2.5033   19.451   2.7146 1.119839 3.692626 
1 1 1   21   10  -39 o   16.755   1.9964   38.954   8.8077   28.212   12.118   50.984   12.824   13.864   3.3015   19.019   2.5769 -5.154692 4.188082 
1 1 1   21   10  -38 o   26.223   1.5249   93.685   10.694  105.495   14.035   77.339   16.511   27.727   1.8959   23.464   2.6673 4.263382 3.272515 
1 1 1   21   10  -37 o   17.287   2.1844   41.650   9.9160   46.281   12.978   35.153   15.371   18.052   2.7646   15.381   3.7537 2.671084 4.661880 
1 1 1   21   10  -36 o   25.103   1.6670   86.094   11.175   83.490   19.289   87.410   13.711   24.253   3.0271   25.187   2.0443 -0.9344139 3.652736 
1 1 1   21   10  -35 o   20.186   1.7486   55.887   9.3868   48.560   13.485   62.775   13.075   18.499   2.8016   21.239   2.3302 -2.739697 3.643991 
1 1 1   21   10  -34 o   29.500   1.6823  118.710   13.275  113.716   19.866  122.738   17.843   28.559   2.6190   29.822   2.2441 -1.262386 3.448929 
1 1 1   21   10  -33 o   32.111   1.3772  139.588   11.878  141.574   14.820  136.021   19.862   32.224   1.7185   31.370   2.3750 0.8535938 2.931510 
1 1 1   21   10  -32 o   6.8504   2.7892   2.7758   8.0692  -3.0666   11.293   8.8701   11.534   6.9236   3.0662   9.1046   3.4429 -2.180991 4.610381 
1 1 1   21   10  -31 o   46.865   1.0371  296.129   13.054  278.484   18.237  314.671   18.694   45.349   1.4972   48.220   1.4434 -2.870457 2.079699 
1 1 1   21   10  -30 o   39.823   1.0919  213.862   11.679  210.601   16.519  217.122   16.515   39.433   1.5597   40.044   1.5355 -0.6109619 2.188663 
1 1 1   21   10  -29 o   9.1312   2.8343   11.477   7.6784   21.140   10.533   0.5181   11.217   12.126   3.1908   7.4729   3.1826 4.652770 4.506682 
1 1 1   21   10  -28 o   9.1654   2.8520   11.536   7.7692   5.2265   10.924   17.995   11.052   8.2471   3.2845   11.293   3.3799 -3.046365 4.712912 
1 1 1   21   10  -27 o   26.490   1.3121   94.720   9.3354   88.146   12.852  102.062   13.582   25.415   1.8965   27.365   1.8589 -1.950773 2.655606 
1 1 1   21   10  -26 o   8.1345   3.0644   6.8462   9.1159   37.609   15.071 -10.9004   11.447   16.146   3.5702   6.0448   2.8280 10.10081 4.554595 
1 1 1   21   10  -25 o   28.744   1.6207  112.114   12.461  109.804   13.250  129.800   36.664   28.422   1.7441   29.880   4.7256 -1.457748 5.037154 
1 1 1   21   10  -24 o   27.043   1.5147   99.121   10.958  110.562   15.865   88.685   15.152   28.452   2.0907   25.432   2.2411 3.019894 3.064886 
1 1 1   21   10  -23 o   30.829   1.2108  128.126   10.026  111.246   14.698  142.818   13.712   28.581   1.9258   32.507   1.5705 -3.925653 2.484987 
1 1 1   21   10  -22 o   43.387   1.1479  253.625   13.377  251.189   16.687  258.005   22.376   43.138   1.4402   43.634   1.9092 -0.4968414 2.391522 
1 1 1   21   10  -21 o   70.829   1.0726  675.568   20.405  692.089   27.489  655.293   30.452   71.615   1.4291   69.635   1.6282 1.979630 2.166411 
1 1 1   21   10  -20 o   46.651   0.9742  292.890   12.206  290.598   17.349  295.136   17.176   46.416   1.3916   46.781   1.3670 -0.3646011 1.950703 
1 1 1   21   10  -19 o   68.548   0.8983  632.109   16.539  631.225   21.426  633.413   26.015   68.460   1.1652   68.532   1.4133 -0.7203674E-01 1.831731 
1 1 1   21   10  -18 o   46.507   0.8754  290.913   10.935  268.112   14.143  324.807   17.243   44.619   1.1801   49.095   1.3076 -4.475861 1.761410 
1 1 1   21   10  -17 o   64.721   0.9668  563.542   16.807  550.024   23.496  577.707   24.051   63.883   1.3694   65.471   1.3677 -1.588203 1.935415 
1 1 1   21   10  -16 o   59.013   0.7776  468.204   12.325  491.128   18.810  450.954   16.316   60.401   1.1594   57.890   1.0493 2.510456 1.563784 
1 1 1   21   10  -15 o   54.959   0.7766  406.048   11.464  404.168   17.140  407.570   15.421   54.796   1.1646   55.039   1.0432 -0.2426453 1.563465 
1 1 1   21   10  -14 o   23.181   1.0425   72.292   6.4911   74.554   8.8594   69.671   9.5377   23.482   1.4112   22.677   1.5757 0.8045254 2.115244 
1 1 1   21   10  -13 o   77.809   0.8573  813.967   17.916  834.653   30.653  803.233   22.080   78.709   1.4500   77.270   1.0639 1.438278 1.798410 
1 1 1   21   10  -12 o   28.865   1.0421  112.072   8.0795  120.658   12.876  106.496   10.376   29.874   1.6107   28.121   1.3738 1.753059 2.116970 
1 1 1   21   10  -11 o   32.388   0.8841  141.027   7.6908  138.350   14.760  142.024   9.0107   31.983   1.7246   32.495   1.0324 -0.5122414 2.009969 
1 1 1   21   10  -10 o   45.660   0.7390  280.189   9.0630  276.536   14.121  282.749   11.818   45.336   1.1597   45.856   0.9595 -0.5197449 1.505167 
1 1 1   21   10   -9 o   56.816   0.7777  433.866   11.868  428.889   17.795  437.853   15.928   56.460   1.1734   57.059   1.0393 -0.5982094 1.567515 
1 1 1   21   10   -8 o   64.181   0.7654  553.609   13.194  566.615   20.762  544.799   17.089   64.895   1.1911   63.651   0.9996 1.244263 1.554993 
1 1 1   21   10   -7 o   17.167   1.2046   39.845   5.5193   33.762   8.9941   43.520   6.9901   15.657   2.1993   17.918   1.4653 -2.260500 2.642749 
1 1 1   21   10   -6 o   68.161   0.8162  624.453   14.943  643.238   22.367  609.309   20.082   69.145   1.2043   67.306   1.1109 1.839241 1.638427 
1 1 1   21   10   -5 o   82.179   0.9161  907.876   20.222  891.493   28.417  924.683   28.782   81.391   1.2999   82.894   1.2927 -1.502197 1.833260 
1 1 1   21   10   -4 o   34.028   0.8251  155.631   7.5412  159.880   11.652  152.569   9.8924   34.471   1.2585   33.681   1.0935 0.7895432 1.667226 
1 1 1   21   10   -3 o   10.459   1.8850   15.202   5.1005   24.297   8.5031   10.090   6.3747   13.189   2.4916   8.5879   2.5663 4.601253 3.576845 
1 1 1   21   10   -2 f   29.585   0.9484  117.675   7.5361  116.625   10.770  118.683   10.549   29.436   1.3622   29.697   1.3225 -0.2604656 1.898585 
1 1 1   21   10   -1 o  127.398   1.1568  2183.10   39.585  2207.82   58.927  2162.78   53.438  127.996   1.7141  126.719   1.5701 1.276688 2.324446 
1 1 1   21   10    0 o   22.573   1.0071   68.508   6.1056   70.719   9.6960   67.056   7.8595   22.859   1.5891   22.284   1.3190 0.5751286 2.065228 
1 1 1   21   10    1 o   24.865   0.9615   83.121   6.4213   98.145   10.368   73.770   8.1790   26.963   1.4368   23.377   1.3078 3.585192 1.942898 
1 1 1   21   10    2 f   41.139   0.7726  227.448   8.5368  236.238   13.482  221.564   11.030   41.906   1.1978   40.593   1.0116 1.312435 1.567831 
1 1 1   21   10    3 o   46.193   0.8123  286.788   10.078  282.311   16.134  289.653   12.906   45.802   1.3115   46.412   1.0353 -0.6097374 1.670869 
1 1 1   21   10    4 o   46.688   0.7866  292.958   9.8638  293.575   14.880  292.474   13.175   46.715   1.1859   46.636   1.0518 0.7927704E-01 1.585100 
1 1 1   21   10    5 o  128.411   1.1133  2217.83   38.400  2191.71   58.988  2237.04   50.586  127.518   1.7222  128.895   1.4612 -1.377220 2.258571 
1 1 1   21   10    6 o   31.593   0.8453  134.159   7.1728  138.829   11.196  130.908   9.3416   32.118   1.2978   31.197   1.1148 0.9211674 1.710922 
1 1 1   21   10    7 o   13.933   1.5242   26.458   5.6109   23.236   8.7353   28.721   7.3208   12.870   2.6163   14.463   1.9329 -1.593850 3.252813 
1 1 1   21   10    8 o   5.7884   2.3048   2.3060   5.3785  -2.9024   8.2846   6.1006   7.0713   5.9092   2.6212   7.4489   2.7182 -1.539713 3.776136 
1 1 1   21   10    9 o   27.109   0.9323   98.805   6.7883   99.562   10.407   98.244   8.9558   27.153   1.4320   27.020   1.2340 0.1335888 1.890384 
1 1 1   21   10   10 o   11.526   2.0802   18.492   6.2033   26.224   10.637   14.508   7.6362   13.631   2.9878   10.170   2.7358 3.461443 4.051074 
1 1 1   21   10   11 o   85.959   0.9106  993.477   21.024  968.625   34.195  1008.58   26.659   84.792   1.5015   86.581   1.1464 -1.788742 1.889060 
1 1 1   21   10   12 o   30.390   1.0504  124.229   8.5736  125.790   12.569  122.871   11.725   30.513   1.5385   30.201   1.4454 0.3121166 2.110997 
1 1 1   21   10   13 o   33.918   0.9351  154.704   8.5186  158.432   13.122  151.989   11.200   34.294   1.4246   33.602   1.2409 0.6919937 1.889254 
1 1 1   21   10   14 o   72.347   0.8490  703.727   16.497  700.648   24.251  706.378   22.506   72.139   1.2516   72.447   1.1566 -0.3077087 1.704194 
1 1 1   21   10   15 o   26.271   1.0929   92.877   7.7121   93.611   12.415   92.416   9.8409   26.273   1.7696   26.151   1.4062 0.1220264 2.260313 
1 1 1   21   10   16 o   31.942   0.9277  137.236   7.9589  134.510   11.618  139.646   10.925   31.595   1.3691   32.201   1.2632 -0.6056232 1.862791 
1 1 1   21   10   17 o   32.762   0.9721  144.407   8.5540  138.731   12.701  149.120   11.572   32.075   1.4742   33.269   1.2950 -1.194950 1.962278 
1 1 1   21   10   18 o   82.972   0.9099  926.086   20.278  936.469   30.116  917.475   27.427   83.354   1.3452   82.527   1.2374 0.8265915 1.827713 
1 1 1   21   10   19 o   35.410   0.9010  168.678   8.5690  174.773   12.686  163.563   11.621   36.009   1.3117   34.842   1.2418 1.167328 1.806235 
1 1 1   21   10   20 o   44.500   0.8400  266.355   10.040  282.006   14.894  253.321   13.592   45.749   1.2121   43.365   1.1669 2.383919 1.682526 
1 1 1   21   10   21 o   13.278   1.8311   24.303   6.3565   20.878   9.2296   27.393   8.7672   12.113   2.8791   13.993   2.4202 -1.880019 3.761236 
1 1 1   21   10   22 o   26.725   1.0624   96.185   7.6262   94.933   10.957   97.362   10.621   26.464   1.5482   26.812   1.4806 -0.3480511 2.142206 
1 1 1   21   10   23 o   21.762   1.2563   64.073   7.3122   55.757   9.9876   73.680   10.735   20.202   1.8616   23.270   1.7299 -3.068054 2.541267 
1 1 1   21   10   24 o   38.394   0.9504  198.441   9.8005  213.743   15.615  188.496   12.589   39.781   1.4615   37.386   1.2537 2.395031 1.925500 
1 1 1   21   10   25 o   69.735   0.9710  654.782   18.186  642.531   26.941  665.037   24.650   68.968   1.4544   70.204   1.3073 -1.236870 1.955546 
1 1 1   21   10   26 o   40.289   0.9366  218.540   10.135  201.096   15.760  230.841   13.235   38.568   1.5214   41.375   1.1909 -2.807053 1.932073 
1 1 1   21   10   27 o   23.531   1.2159   74.886   7.6586   77.163   11.378   72.999   10.356   23.790   1.7938   23.158   1.6763 0.6320019 2.455070 
1 1 1   21   10   28 o   48.312   1.0000  314.439   12.976  325.525   23.382  309.506   15.598   48.992   1.7769   47.897   1.2125 1.095161 2.151205 
1 1 1   21   10   29 o   88.791   0.9589  1061.97   22.869  1080.89   33.877  1046.14   30.998   89.421   1.4105   88.011   1.3113 1.410225 1.925872 
1 1 1   21   10   30 o   41.976   0.8957  237.288   10.098  230.531   14.451  243.736   14.117   41.310   1.3024   42.489   1.2370 -1.178864 1.796260 
1 1 1   21   10   31 o   26.365   1.1290   93.789   7.9951   86.789   11.191  101.088   11.426   25.240   1.6601   27.268   1.5667 -2.028244 2.282610 
1 1 1   21   10   32 o   27.068   1.1641   98.922   8.4633   93.465   11.057  106.641   13.151   26.205   1.5783   27.954   1.7605 -1.748880 2.364419 
1 1 1   21   10   33 o   19.322   1.4689   50.877   7.5659   60.502   10.479   40.395   10.936   20.989   1.8786   16.962   2.4731 4.027224 3.105701 
1 1 1   21   10   34 o   30.668   1.1289  127.024   9.2988  121.462   12.000  135.381   14.710   29.926   1.4930   31.492   1.7460 -1.565327 2.297267 
1 1 1   21   10   35 o   10.116   2.4527   14.669   6.5951   24.736   8.5681   0.0340   10.331   13.179   2.5123   7.0618   3.0321 6.116827 3.937646 
1 1 1   21   10   36 o   51.989   0.8420  364.195   11.757  377.242   16.184  349.614   17.108   52.839   1.1403   50.835   1.2530 2.003716 1.694214 
1 1 1   21   10   37 o   44.890   0.9198  271.723   11.091  258.937   15.000  287.138   16.471   43.740   1.2768   46.044   1.3319 -2.304623 1.845041 
1 1 1   21   10   38 o   27.991   1.1414  105.881   8.5812  105.537   11.984  106.244   12.293   27.815   1.6110   27.898   1.6479 -0.8320618E-01 2.304534 
1 1 1   21   10   39 o   30.746   1.1085  127.721   9.1541  134.085   11.753  117.906   14.595   31.447   1.3915   29.323   1.8628 2.124252 2.325157 
1 1 1   21   10   40 o   27.834   1.1055  104.708   8.2645  102.130   10.980  108.077   12.553   27.377   1.4988   28.117   1.6697 -0.7399063 2.243773 
1 1 1   21   10   41 o   31.051   1.1369  130.428   9.4820  126.783   13.048  134.506   13.803   30.466   1.6002   31.368   1.6440 -0.9022923 2.294148 
1 1 1   21   10   42 o   4.6312   2.2169 -10.3946   7.8415  -7.1133   10.233 -15.0618   12.205   5.9546   2.7471   5.8214   2.7809 0.1332664 3.908947 
1 1 1   21   10   43 o   5.0761   2.3542  -6.0161   7.6628 -11.6262   10.044   1.7981   11.854   5.3663   2.5520   7.7168   3.2787 -2.350571 4.154865 
1 1 1   21   10   44 o   18.723   2.5109   50.200   12.309   62.704   19.808   42.333   15.711   20.240   3.7827   16.637   3.6188 3.603025 5.234911 
1 1 1   21   10   45 o   19.754   2.7772   56.946   14.328   75.114   21.363   42.091   19.317   22.084   3.7348   16.050   4.3654 6.033941 5.745039 
1 1 1   21   10   46 o   9.7163   3.8633   10.808   15.091   24.810   19.316 -11.1300   24.178   12.528   4.5039   8.9371   4.1574 3.590416 6.129363 
1 1 1   21   10   47 o   12.632   3.6655   25.638   13.166   39.981   19.018   12.437   18.246   15.285   4.3967   10.294   4.1931 4.991298 6.075590 
1 1 1   21   10   48 o   20.736   2.5623   63.453   13.967   63.440   20.493   63.464   19.088   19.515   4.0427   19.813   3.7235 -0.2978401 5.496143 
1 1 1   21   11  -44 o   9.0089   3.8662   3.6984   16.782   0.0000   0.0000   3.6984   16.782  ?   ?    9.0089   3.8662 0.000000 3.866159 
1 1 1   21   11  -43 o   30.930   2.5428  136.301   20.937   0.0000   0.0000  136.301   20.937  ?   ?    30.930   2.5428 0.000000 2.542779 
1 1 1   21   11  -42 o   6.5420   3.1147 -16.5628   15.045 -65.5600   42.051  -9.3697   16.112   9.4896   4.6720   7.4838   3.4507 2.005822 5.808177 
1 1 1   21   11  -41 o   8.2133   3.1430   7.2115   9.6834   24.268   11.996 -24.6950   16.407   12.731   3.4306   6.3639   3.0859 6.367482 4.614287 
1 1 1   21   11  -40 o   15.109   2.5923   32.671   10.141   31.521   12.294   35.119   17.939   14.621   3.2178   15.123   4.2434 -0.5019751 5.325516 
1 1 1   21   11  -39 o   20.302   1.7279   56.647   9.3323   60.807   13.133   52.405   13.263   20.830   2.3907   19.232   2.6371 1.598572 3.559504 
1 1 1   21   11  -38 f   29.321   1.3526  116.554   10.652  117.234   15.137  115.888   14.993   29.200   1.9410   29.034   1.9336 0.1662521 2.739797 
1 1 1   21   11  -37 o   23.726   1.6026   76.905   10.153   87.056   13.496   63.671   15.410   25.129   2.0166   21.211   2.7712 3.918528 3.427280 
1 1 1   21   11  -36 o   30.031   1.4354  122.355   11.578  125.083   15.227  118.616   17.827   30.197   1.8869   29.259   2.2866 0.9375992 2.964574 
1 1 1   21   11  -35 o   20.671   1.9711   58.978   10.811   45.637   18.890   65.476   13.184   17.413   4.1059   21.689   2.2982 -4.275833 4.705281 
1 1 1   21   11  -34 o   21.174   1.6627   61.372   9.3799   73.184   13.151   49.142   13.382   22.994   2.1545   18.611   2.7607 4.382793 3.501919 
1 1 1   21   11  -33 o   52.344   1.3612  371.148   19.137  350.033   28.861  387.715   25.565   50.520   2.1270   53.334   1.7846 -2.814049 2.776494 
1 1 1   21   11  -32 o   5.8582   2.7341  -9.4150   10.595 -11.8388   14.064  -6.2338   16.112   6.7739   3.1577   7.9609   3.5841 -1.187078 4.776694 
1 1 1   21   11  -31 o   45.181   1.1663  275.738   14.153  277.397   19.129  273.730   21.039   45.209   1.5753   44.856   1.7463 0.3536606 2.351844 
1 1 1   21   11  -30 o   36.798   1.1336  182.786   11.204  186.247   15.791  179.277   15.900   37.054   1.5867   36.344   1.6288 0.7096672 2.273870 
1 1 1   21   11  -29 f   21.762   1.5661   64.510   9.0928   55.301   12.482   74.924   13.273   19.950   2.3762   23.326   2.1425 -3.376223 3.199450 
1 1 1   21   11  -28 o   36.937   1.2249  184.200   12.152  167.705   15.550  210.071   19.475   35.169   1.6462   39.313   1.8443 -4.144466 2.472153 
1 1 1   21   11  -27 o   71.341   1.0463  686.027   20.049  673.283   28.353  698.771   28.353   70.539   1.4965   71.872   1.4688 -1.332680 2.096830 
1 1 1   21   11  -26 o   35.646   1.2331  171.480   11.806  169.916   17.040  172.924   16.372   35.341   1.8011   35.716   1.7067 -0.3749580 2.481274 
1 1 1   21   11  -25 o   8.6612   3.1075   8.9262   9.1904   19.814   15.794   3.3520   11.301   12.137   4.0900   7.9977   3.2836 4.139134 5.244963 
1 1 1   21   11  -24 o   32.988   1.1502  146.715   10.191  148.385   14.369  145.024   14.456   33.112   1.6157   32.688   1.6519 0.4235916 2.310686 
1 1 1   21   11  -23 o   17.918   2.0260   44.160   9.5790   49.455   11.544   32.450   17.166   18.909   2.3217   14.941   4.1364 3.967444 4.743465 
1 1 1   21   11  -22 o   54.453   1.1596  399.707   16.960  403.160   20.576  392.390   29.951   54.641   1.4020   53.731   2.0754 0.9098511 2.504572 
1 1 1   21   11  -21 o   31.930   1.2458  137.494   10.685  151.337   14.079  118.697   16.406   33.458   1.5667   29.485   2.0851 3.972912 2.608127 
1 1 1   21   11  -20 o   28.296   0.9557  107.779   7.2633  107.016   8.0282  111.218   17.050   28.188   1.0604   28.506   2.2450 -0.3182392 2.482875 
1 1 1   21   11  -19 o   58.846   0.8297  465.850   13.114  460.776   16.478  474.615   21.657   58.495   1.0488   59.311   1.3595 -0.8164558 1.717041 
1 1 1   21   11  -18 o   46.849   0.8225  295.229   10.350  287.238   14.601  303.301   14.674   46.171   1.1774   47.448   1.1514 -1.276840 1.646801 
1 1 1   21   11  -17 o   38.413   0.7964  198.445   8.2162  210.974   12.525  188.982   10.885   39.572   1.1784   37.462   1.0818 2.109905 1.599707 
1 1 1   21   11  -16 o   59.339   0.8228  473.568   13.113  479.472   20.699  469.610   16.947   59.643   1.2921   59.060   1.0684 0.5825119 1.676581 
1 1 1   21   11  -15 o   67.210   0.9000  607.671   16.247  606.146   27.644  608.475   20.082   67.018   1.5357   67.225   1.1122 -0.2070847 1.896165 
1 1 1   21   11  -14 o   50.714   0.8075  345.846   10.999  364.642   19.928  337.612   13.190   52.002   1.4268   50.091   0.9803 1.911034 1.731098 
1 1 1   21   11  -13 o   35.692   0.8374  171.314   8.0282  188.164   14.183  163.370   9.7384   37.361   1.4134   34.842   1.0406 2.518116 1.755186 
1 1 1   21   11  -12 o   35.703   0.8233  171.398   7.8950  169.393   11.815  173.015   10.612   35.466   1.2403   35.854   1.1020 -0.3877487 1.659137 
1 1 1   21   11  -11 o   56.710   0.8741  432.478   13.315  440.913   24.384  428.895   15.894   57.173   1.5879   56.458   1.0481 0.7147980 1.902604 
1 1 1   21   11  -10 o   50.749   0.8134  346.260   11.087  362.173   17.963  336.466   14.092   51.859   1.2896   50.008   1.0492 1.850853 1.662487 
1 1 1   21   11   -9 o   78.676   0.8273  832.204   17.483  820.792   26.966  840.479   22.962   78.073   1.2860   79.035   1.0817 -0.9616852 1.680388 
1 1 1   21   11   -8 o   53.452   0.7465  384.040   10.718  376.385   16.525  389.599   14.082   52.884   1.1634   53.821   0.9741 -0.9374352 1.517357 
1 1 1   21   11   -7 o   27.748   0.8794  103.527   6.5541  108.114   10.395  100.501   8.4440   28.333   1.3660   27.328   1.1504 1.004457 1.785847 
1 1 1   21   11   -6 o   57.136   0.7764  438.805   11.915  451.677   18.062  428.888   15.854   57.935   1.1607   56.466   1.0453 1.469673 1.562074 
1 1 1   21   11   -5 f   45.053   0.8234  272.867   9.9637  275.171   14.322  270.705   13.871   45.219   1.1792   44.853   1.1514 0.3663101 1.648067 
1 1 1   21   11   -4 o   23.563   1.1205   74.700   7.0915   63.015   9.8465   87.293   10.222   21.548   1.7155   25.409   1.5045 -3.861301 2.281754 
1 1 1   21   11   -3 f   48.118   0.9069  311.305   11.721  319.427   15.275  299.675   18.279   48.722   1.1673   47.168   1.4428 1.554813 1.855846 
1 1 1   21   11   -2 o   6.6063   2.3634   5.0164   5.3125   5.7127   8.5674   4.5814   6.7716   7.7639   2.9598   6.9295   2.6338 0.8344102 3.961987 
1 1 1   21   11   -1 o   6.8123   2.3987   5.5069   5.4517   11.845   8.7864   1.5394   6.9516   9.4539   3.0446   6.2263   2.5681 3.227513 3.983044 
1 1 1   21   11    0 o   65.723   0.8096  580.624   14.292  573.890   21.315  586.124   19.265   65.302   1.2152   66.009   1.0866 -0.7062149 1.630185 
1 1 1   21   11    1 o   10.349   2.1227   14.999   5.7022   6.3480   9.7459   19.502   7.0313   8.2395   3.1531   11.807   2.2998 -3.567856 3.902688 
1 1 1   21   11    2 o   16.473   1.4261   36.818   6.2475   33.415   10.337   38.776   7.8418   15.500   2.5732   16.865   1.7569 -1.364696 3.115769 
1 1 1   21   11    3 f   64.106   0.8055  552.422   13.869  545.359   20.722  558.152   18.665   63.658   1.2120   64.414   1.0788 -0.7564583 1.622591 
1 1 1   21   11    4 o   25.523   0.9830   87.606   6.7385   87.813   10.261   87.450   8.9354   25.485   1.5057   25.453   1.3115 0.3214836E-01 1.996792 
1 1 1   21   11    5 f   9.7366   2.2139   13.331   5.6588  -4.1487   8.6193   26.572   7.5019   5.8444   2.6273   13.872   2.0774 -8.027540 3.349335 
1 1 1   21   11    6 o   60.844   0.8001  497.647   13.075  485.541   19.484  507.564   17.635   60.063   1.2078   61.424   1.0689 -1.361595 1.612856 
1 1 1   21   11    7 o  103.838   0.9664  1450.10   26.953  1438.75   41.488  1458.40   35.453  103.328   1.4949  104.081   1.2682 -0.7530289 1.960379 
1 1 1   21   11    8 o   50.707   0.7696  345.618   10.482  361.747   16.316  334.283   13.678   51.844   1.1717   49.850   1.0216 1.994019 1.554484 
1 1 1   21   11    9 o   90.568   0.8932  1102.99   21.727  1091.67   33.348  1111.34   28.640   90.021   1.3792   90.867   1.1735 -0.8457870 1.810898 
1 1 1   21   11   10 o   75.431   0.8667  765.082   17.559  747.782   28.819  775.296   22.143   74.491   1.4404   75.905   1.0861 -1.414864 1.804008 
1 1 1   21   11   11 o   21.056   1.5240   60.093   8.5611   66.443   12.108   53.744   12.107   22.066   2.0669   19.780   2.3231 2.286179 3.109457 
1 1 1   21   11   12 o   21.200   1.2241   60.725   6.9408   44.323   11.063   71.374   8.9135   17.928   2.3543   22.964   1.4526 -5.036232 2.766374 
1 1 1   21   11   13 o   25.663   1.0585   88.636   7.2961   97.689   10.613   80.523   10.047   26.875   1.4759   24.383   1.5420 2.491549 2.134501 
1 1 1   21   11   14 o   43.750   0.8456  257.419   9.9371  244.440   15.801  265.912   12.781   42.582   1.3815   44.447   1.0706 -1.864513 1.747799 
1 1 1   21   11   15 o   40.809   0.8464  223.988   9.2771  227.146   14.751  221.920   11.933   41.050   1.3378   40.600   1.0942 0.4499550 1.728358 
1 1 1   21   11   16 o   15.468   1.7338   32.741   7.0792   51.396   12.287   23.471   8.6613   19.294   2.4246   12.904   2.5891 6.390077 3.547137 
1 1 1   21   11   17 o   67.685   0.8951  616.377   16.273  631.479   26.010  606.665   20.859   68.415   1.4155   67.108   1.1573 1.306702 1.828320 
1 1 1   21   11   18 o   51.275   0.8321  353.665   11.460  342.796   16.700  363.338   15.755   50.431   1.2329   51.935   1.1295 -1.504253 1.672048 
1 1 1   21   11   19 o   59.841   0.9340  481.954   15.012  488.232   22.875  477.205   19.895   60.144   1.4161   59.495   1.2450 0.6492691 1.885569 
1 1 1   21   11   20 o   48.310   0.8414  314.002   10.917  310.632   16.027  316.919   14.911   47.997   1.2432   48.495   1.1447 -0.4981766 1.690003 
1 1 1   21   11   21 o   47.027   0.9470  297.727   11.961  295.510   17.662  299.604   16.256   46.784   1.4056   47.127   1.2843 -0.3436661 1.903940 
1 1 1   21   11   22 o   24.481   1.1972   80.807   7.8721   62.071   11.972   95.079   10.449   21.263   2.1247   26.487   1.4746 -5.224070 2.586222 
1 1 1   21   11   23 o   18.756   1.8629   48.170   9.2605   43.871   15.682   50.472   11.475   17.494   3.4601   19.114   2.2801 -1.620344 4.143821 
1 1 1   21   11   24 o   12.890   1.9411   23.048   6.5118   20.945   9.0111   25.346   9.4205   12.111   2.8224   13.362   2.7175 -1.250816 3.917994 
1 1 1   21   11   25 o   30.867   0.9424  128.304   7.8132  116.203   10.595  142.729   11.568   29.334   1.3448   32.513   1.3247 -3.178841 1.887630 
1 1 1   21   11   26 o   12.013   2.0220   20.152   6.2927   25.371   8.5663   14.036   9.2740   13.413   2.4688   10.062   3.1135 3.350908 3.973509 
1 1 1   21   11   27 o   5.6053   2.3679   0.4658   6.1249  -3.8294   8.0479   6.3778   9.4419   5.6208   2.5316   8.0893   3.1016 -2.468534 4.003614 
1 1 1   21   11   28 o   9.9671   2.3623   14.138   6.2273   22.565   8.2073   2.7037   9.5603   12.611   2.5112   7.3331   3.0165 5.278215 3.925016 
1 1 1   21   11   29 f   56.928   0.8571  436.436   13.105  429.626   17.263  445.699   20.133   56.423   1.1391   57.425   1.3053 -1.002037 1.732439 
1 1 1   21   11   30 o   45.454   0.8489  278.267   10.364  268.998   14.067  289.270   15.327   44.632   1.1734   46.270   1.2333 -1.637905 1.702324 
1 1 1   21   11   31 o   41.479   0.9741  231.995   10.852  219.477   14.449  248.194   16.436   40.273   1.3358   42.803   1.4297 -2.530212 1.956588 
1 1 1   21   11   32 o   53.757   0.8861  389.458   12.794  391.059   18.393  387.958   17.809   53.766   1.2736   53.563   1.2379 0.2028351 1.776073 
1 1 1   21   11   33 o   24.339   1.4198   80.570   9.2413   88.854   13.010   72.133   13.129   25.435   1.9185   22.830   2.1671 2.604992 2.894283 
1 1 1   21   11   34 o   47.505   0.9057  304.266   11.556  320.661   16.899  289.864   15.838   48.669   1.2927   46.278   1.2742 2.390896 1.815169 
1 1 1   21   11   35 o   19.491   1.4744   51.849   7.6618   45.581   10.646   58.585   11.036   18.074   2.2411   20.587   2.0218 -2.513857 3.018299 
1 1 1   21   11   36 o   25.334   1.2877   87.123   8.7333   91.726   12.383   82.567   12.319   25.870   1.7932   24.511   1.8857 1.358278 2.602161 
1 1 1   21   11   37 o   22.835   1.3490   70.904   8.2370   59.705   11.368   83.284   11.952   20.768   2.0653   24.635   1.8192 -3.867249 2.752281 
1 1 1   21   11   38 f   23.681   1.3291   76.238   8.4198   80.952   11.744   71.252   12.078   24.281   1.8138   22.716   2.0000 1.564232 2.700005 
1 1 1   21   11   39 o   16.859   1.7788   39.243   7.9335   31.438   10.615   49.118   11.940   14.775   2.7768   18.679   2.4381 -3.904176 3.695287 
1 1 1   21   11   40 o   21.235   1.4720   61.622   8.3437   56.249   11.681   67.218   11.922   20.067   2.2035   22.014   2.0395 -1.946548 3.002480 
1 1 1   21   11   41 o   17.500   1.8710   42.522   8.6583   40.391   11.356   45.481   13.382   16.801   2.6003   17.719   2.9130 -0.9179707 3.904768 
1 1 1   21   11   42 o   9.5093   3.0087   12.956   8.6095   9.0464   10.474   21.100   15.117   8.7566   3.2875   11.943   4.0015 -3.186254 5.178763 
1 1 1   21   11   43 o   7.0481   3.0949  -1.0922   11.276   10.042   18.596  -7.5666   14.180   10.295   4.2178   7.0925   3.2581 3.202934 5.329652 
1 1 1   21   11   44 o   15.848   6.6007   45.390   46.570   45.390   46.570   0.0000   0.0000   15.848   6.6007  ?   ?  0.000000 6.600675 
1 1 1   21   11   45 o   28.122   1.9762  111.205   14.832  108.300   22.136  113.572   19.981   26.879   3.1245   27.892   2.7010 -1.012819 4.130149 
1 1 1   21   11   46 o   32.277   1.7929  145.838   15.482  157.869   22.574  135.154   21.273   32.892   2.5758   30.368   2.6342 2.524731 3.684215 
1 1 1   21   11   47 o   14.052   3.3580   31.617   12.501   24.018   19.065   37.349   16.557   11.977   4.4473   14.786   4.0498 -2.809752 6.014884 
1 1 1   21   12  -43 f   11.152   4.8448   9.0540   26.995   0.0000   0.0000   9.0540   26.995  ?   ?    11.152   4.8448 0.000000 4.844793 
1 1 1   21   12  -42 f   19.050   4.0042   57.255   19.838   0.0000   0.0000   57.255   19.838  ?   ?    19.050   4.0042 0.000000 4.004168 
1 1 1   21   12  -41 o   20.633   3.7365   64.899   19.945   0.0000   0.0000   64.899   19.945  ?   ?    20.633   3.7365 0.000000 3.736528 
1 1 1   21   12  -40 o   50.429   1.2565  345.345   17.020  339.453   21.097  356.327   28.803   49.839   1.5760   50.713   2.1146 -0.8739090 2.637262 
1 1 1   21   12  -39 o   15.590   2.6096   34.848   10.541   39.614   12.977   25.605   18.072   16.474   3.0451   13.118   4.3750 3.356112 5.330397 
1 1 1   21   12  -38 o   39.433   1.1821  210.541   12.521  202.863   17.510  218.574   17.910   38.544   1.6914   40.018   1.6663 -1.474472 2.374317 
1 1 1   21   12  -37 o   20.542   1.7307   57.988   9.4600   53.866   13.251   62.273   13.510   19.519   2.5916   21.068   2.4322 -1.548805 3.554163 
1 1 1   21   12  -36 o   19.969   1.7710   54.843   9.4001   54.518   13.005   55.198   13.603   19.678   2.5184   19.763   2.6278 -0.8487320E-01 3.639689 
1 1 1   21   12  -35 o   27.479   1.6294  103.142   11.972  112.111   14.385   82.926   21.595   28.573   1.8850   23.919   3.4622 4.654001 3.942060 
1 1 1   21   12  -34 o   22.784   1.8897   71.453   11.460   59.126   19.320   78.145   14.235   20.015   3.7310   23.713   2.2624 -3.697456 4.363357 
1 1 1   21   12  -33 o   62.423   1.0553  526.250   17.694  539.276   25.110  513.403   24.936   63.018   1.4835   61.475   1.5102 1.542637 2.116958 
1 1 1   21   12  -32 f   25.016   1.8446   85.898   12.306   77.706   17.658   93.633   17.160   23.430   2.8658   25.898   2.4978 -2.468607 3.801551 
1 1 1   21   12  -31 o   37.550   1.9324  193.239   19.424  189.800   38.153  194.442   22.567   36.058   4.0072   37.535   2.2488 -1.476448 4.595087 
1 1 1   21   12  -30 o   12.088   2.9914   21.204   9.6595   7.1834   12.985   38.575   14.454   9.0565   3.5891   16.244   3.4209 -7.187585 4.958225 
1 1 1   21   12  -29 o   40.131   1.1912  217.627   12.840  200.775   18.296  233.980   18.024   38.402   1.7738   41.504   1.6168 -3.101776 2.400125 
1 1 1   21   12  -28 o   15.148   2.1633   32.002   8.5518   38.097   11.877   25.440   12.324   16.372   2.8015   13.203   3.4405 3.169277 4.436848 
1 1 1   21   12  -27 o   19.052   1.7005   49.673   8.6106   52.900   12.039   46.294   12.320   19.509   2.3445   18.161   2.6000 1.348377 3.500891 
1 1 1   21   12  -26 o   30.257   1.2352  123.637   10.039  120.037   14.055  127.386   14.343   29.675   1.7714   30.577   1.7538 -0.9024448 2.492732 
1 1 1   21   12  -25 o   24.379   1.4270   80.658   9.3033   84.148   13.190   77.202   13.124   24.782   1.9986   23.710   2.0820 1.071859 2.885972 
1 1 1   21   12  -24 o   18.239   1.9172   45.703   9.2514   28.234   15.198   55.986   11.661   13.935   3.9044   20.143   2.1906 -6.208639 4.476971 
1 1 1   21   12  -23 o   8.4085   2.9127   8.8859   8.0214   0.6267   12.143   15.281   10.685   7.7773   3.3117   10.540   3.3535 -2.763027 4.713161 
1 1 1   21   12  -22 o   36.410   0.8402  178.429   8.2163  180.512   9.8646  173.711   14.846   36.605   1.0033   35.832   1.5426 0.7727051 1.840192 
1 1 1   21   12  -21 o   22.312   1.0587   67.081   6.3447   65.457   7.0393   74.115   14.649   21.998   1.1959   23.177   2.3874 -1.178984 2.670146 
1 1 1   21   12  -20 o   52.341   1.0265  369.059   14.431  375.114   16.709  351.280   28.631   52.743   1.1795   50.815   2.0978 1.927364 2.406619 
1 1 1   21   12  -19 o   17.032   1.6783   39.644   7.5780   36.819   8.1858   56.570   20.039   16.367   1.8972   19.785   3.9095 -3.417850 4.345541 
1 1 1   21   12  -18 o   30.615   0.8816  126.147   7.2491  118.702   10.888  132.074   9.7154   29.653   1.3671   31.302   1.1556 -1.648829 1.790031 
1 1 1   21   12  -17 o   27.371   0.8924  100.825   6.5608  103.253   10.048   99.020   8.6624   27.660   1.3525   27.102   1.1900 0.5578938 1.801463 
1 1 1   21   12  -16 o   27.965   0.9300  105.261   6.9852  106.186   10.035  104.392   9.7290   28.054   1.3318   27.819   1.3021 0.2350788 1.862510 
1 1 1   21   12  -15 o   15.411   1.3231   32.268   5.4237   27.731   8.0265   36.080   7.3575   14.126   2.1862   16.243   1.7122 -2.117452 2.776917 
1 1 1   21   12  -14 o   20.395   1.2089   56.255   6.5927   66.535   11.716   51.491   7.9752   22.064   1.9986   19.466   1.5379 2.598478 2.521833 
1 1 1   21   12  -13 o   25.385   0.9502   86.721   6.4784   94.491   9.9751   81.052   8.5197   26.427   1.4104   24.485   1.3002 1.942509 1.918257 
1 1 1   21   12  -12 o   48.915   0.8497  321.851   11.163  330.114   18.975  317.477   13.806   49.466   1.4282   48.560   1.0585 0.9060516 1.777661 
1 1 1   21   12  -11 o   34.312   0.8745  158.368   8.0593  165.882   14.080  154.706   9.8288   35.060   1.4952   33.898   1.0795 1.162426 1.844152 
1 1 1   21   12  -10 o   29.375   1.0807  116.168   8.5269  122.233   15.744  113.650   10.143   29.985   1.9657   29.039   1.3005 0.9459248 2.356968 
1 1 1   21   12   -9 o   46.986   0.9428  297.015   11.898  321.585   20.448  284.437   14.630   48.814   1.5596   45.956   1.1852 2.858135 1.958831 
1 1 1   21   12   -8 o   4.6755   2.0971  -2.5204   5.4583  -7.4342   8.9142   0.4269   6.9038   5.4968   2.5457   5.9494   2.5136 -0.4526119 3.577587 
1 1 1   21   12   -7 f   28.382   0.9164  108.358   6.9857  105.528   10.734  110.437   9.2008   27.940   1.4352   28.637   1.1962 -0.6968899 1.868320 
1 1 1   21   12   -6 o   70.411   0.7876  666.571   14.895  671.807   21.105  661.375   21.023   70.646   1.1123   70.095   1.1167 0.5513382 1.576097 
1 1 1   21   12   -5 o   52.684   0.7712  373.154   10.913  368.661   14.897  378.358   16.033   52.340   1.0597   53.017   1.1259 -0.6768608 1.546151 
1 1 1   21   12   -4 o   10.097   2.1196   14.315   5.5654   19.862   7.3852   7.0264   8.4664   11.892   2.3950   8.0526   2.9689 3.839268 3.814460 
1 1 1   21   12   -3 o   8.2336   2.3458   9.4191   5.4390   13.394   7.0772   3.6841   8.5006   9.7635   2.6368   7.2564   2.8950 2.507067 3.915842 
1 1 1   21   12   -2 o   36.979   0.8145  183.853   8.0893  186.499   11.244  181.014   11.647   37.224   1.1246   36.668   1.1826 0.5558357 1.631935 
1 1 1   21   12   -1 o   85.420   0.8593  981.176   19.715  968.320   27.690  994.394   28.076   84.804   1.2157   85.938   1.2164 -1.134010 1.719695 
1 1 1   21   12    0 o   18.070   1.2226   44.164   5.8988   47.799   8.8185   41.220   7.9354   18.732   1.7739   17.391   1.7215 1.341183 2.471886 
1 1 1   21   12    1 o   53.073   0.7909  378.697   11.274  374.238   16.955  382.232   15.095   52.722   1.1973   53.298   1.0544 -0.5751648 1.595436 
1 1 1   21   12    2 o   31.443   0.8249  132.933   6.9664  126.059   9.8269  139.878   9.8773   30.599   1.1957   32.236   1.1408 -1.637205 1.652583 
1 1 1   21   12    3 o   28.886   0.8726  112.206   6.7703  117.368   9.8336  107.555   9.3351   29.522   1.2401   28.262   1.2298 1.260506 1.746512 
1 1 1   21   12    4 o   60.069   0.7627  485.085   12.306  470.956   17.270  499.658   17.539   59.156   1.0869   60.933   1.0717 -1.777737 1.526408 
1 1 1   21   12    5 o   32.735   0.8230  144.091   7.2357  158.935   10.379  130.056   10.093   34.362   1.1246   31.078   1.2091 3.283796 1.651252 
1 1 1   21   12    6 o   19.766   1.1129   52.755   5.8841   60.447   8.2519   44.798   8.3926   21.123   1.4635   18.130   1.7450 2.993063 2.277465 
1 1 1   21   12    7 f   25.914   0.9213   90.334   6.4124   96.927   8.9962   83.525   9.1427   26.825   1.2486   24.856   1.3748 1.968908 1.857171 
1 1 1   21   12    8 o   32.774   0.8837  144.470   7.7793  138.087   11.692  149.540   10.420   32.008   1.3601   33.325   1.1642 -1.317062 1.790278 
1 1 1   21   12    9 o   18.811   1.2742   47.894   6.3998   51.757   9.3901   44.543   8.7455   19.484   1.8153   18.060   1.8281 1.423290 2.576234 
1 1 1   21   12   10 o   17.310   1.4834   40.720   6.8304   40.817   9.1018   40.595   10.335   17.248   2.0019   17.143   2.3027 0.1055412 3.051233 
1 1 1   21   12   11 o   26.808   1.0536   96.749   7.5864  101.994   12.575   93.747   9.5123   27.418   1.7162   26.335   1.3494 1.083580 2.183178 
1 1 1   21   12   12 o   25.595   1.1682   88.251   8.0307   87.632   12.504   88.685   10.477   25.382   1.8469   25.585   1.5316 -0.2034264 2.399360 
1 1 1   21   12   13 o   58.238   0.8349  456.230   13.059  473.674   21.755  446.403   16.329   59.260   1.3668   57.580   1.0558 1.680809 1.727100 
1 1 1   21   12   14 o   59.607   0.8760  478.034   14.025  447.328   21.092  502.373   18.778   57.585   1.3637   61.065   1.1449 -3.480629 1.780583 
1 1 1   21   12   15 o   36.589   0.9273  180.178   9.1129  179.125   14.158  180.922   11.907   36.426   1.4471   36.637   1.2101 -0.2111015 1.886356 
1 1 1   21   12   16 o   19.475   1.3335   51.408   6.9334   37.115   10.548   62.281   9.2002   16.317   2.4853   21.403   1.6122 -5.086374 2.962415 
1 1 1   21   12   17 o   71.128   1.1166  681.709   21.332  676.000   57.355  682.626   22.980   70.077   3.0472   71.157   1.2024 -1.079483 3.275865 
1 1 1   21   12   18 o   22.993   1.3598   71.613   8.3607   82.591   16.700   67.940   9.6583   24.445   2.5826   22.353   1.6197 2.091368 3.048451 
1 1 1   21   12   19 o   69.099   0.9612  642.923   17.840  640.382   30.547  644.238   21.977   68.785   1.6534   69.123   1.1837 -0.3380280 2.033467 
1 1 1   21   12   20 o   26.506   1.0881   94.680   7.7461   82.110   11.049  106.830   10.863   24.568   1.6845   28.081   1.4452 -3.513639 2.219504 
1 1 1   21   12   21 o   20.934   1.2993   59.380   7.2695   56.784   10.475   61.792   10.097   20.358   1.9391   21.275   1.7834 -0.9173279 2.634464 
1 1 1   21   12   22 o   31.444   1.0503  133.242   8.8701  140.484   12.163  125.015   12.963   32.244   1.4045   30.349   1.5959 1.894848 2.125890 
1 1 1   21   12   23 o   36.273   0.8869  177.149   8.6411  179.949   11.874  173.997   12.599   36.519   1.2106   35.896   1.3067 0.6229897 1.781308 
1 1 1   21   12   24 o   19.365   1.2768   50.853   6.6036   52.959   8.7242   48.028   10.105   19.698   1.6645   18.673   2.0485 1.025518 2.639489 
1 1 1   21   12   25 o   20.784   1.3022   58.580   7.2328   61.559   9.2647   53.932   11.574   21.249   1.6359   19.752   2.2201 1.497063 2.757673 
1 1 1   21   12   26 o   11.680   2.3113   19.304   6.9944   21.622   8.7934   15.311   11.541   12.291   2.7343   10.613   3.4941 1.678164 4.436808 
1 1 1   21   12   27 o   41.433   0.9279  231.310   10.327  235.537   12.946  223.917   17.123   41.771   1.1539   40.639   1.5687 1.131954 1.947363 
1 1 1   21   12   28 o   28.910   1.0937  112.792   8.4924  110.612   10.541  116.824   14.336   28.589   1.3728   29.237   1.8349 -0.6483879 2.291577 
1 1 1   21   12   29 o   48.385   0.8615  315.427   11.196  316.376   14.825  314.168   17.079   48.399   1.1404   48.184   1.3197 0.2153740 1.744168 
1 1 1   21   12   30 o   33.514   0.9704  151.495   8.7355  147.734   11.367  156.922   13.653   33.043   1.2808   34.008   1.4947 -0.9658813 1.968358 
1 1 1   21   12   31 o   27.774   1.0576  104.150   7.8892  101.604   10.169  107.999   12.503   27.345   1.3891   28.125   1.6625 -0.7798367 2.166493 
1 1 1   21   12   32 f   30.556   1.1308  126.187   9.2810  117.409   11.752  140.737   15.130   29.369   1.4947   32.080   1.7627 -2.711065 2.311131 
1 1 1   21   12   33 o   43.281   0.8952  252.587   10.406  256.030   13.713  247.913   15.978   43.511   1.1734   42.756   1.3913 0.7554817 1.820058 
1 1 1   21   12   34 o   18.676   1.4671   47.643   7.3002   53.200   9.3811   39.112   11.624   19.663   1.7961   16.566   2.7058 3.096943 3.247692 
1 1 1   21   12   35 o   28.414   1.1381  109.148   8.6857  102.196   11.041  120.437   14.070   27.385   1.5068   29.655   1.7745 -2.270065 2.327976 
1 1 1   21   12   36 o   4.0873   1.9821 -11.1275   6.7734  -7.7326   8.5162 -16.9729   11.175   5.2366   2.4464   5.3235   2.5730 -0.8693266E-01 3.550412 
1 1 1   21   12   37 o   6.4717   2.6598   2.2359   7.4247   6.7290   9.7381  -4.0026   11.475   8.1602   3.1445   6.8030   3.0467 1.357183 4.378416 
1 1 1   21   12   38 o   59.697   0.9135  480.931   14.647  497.539   20.086  462.065   21.407   60.597   1.2341   58.338   1.3662 2.258415 1.841024 
1 1 1   21   12   39 o   46.429   0.9023  290.996   11.251  300.203   15.052  279.336   16.939   47.068   1.1906   45.328   1.3913 1.739517 1.831204 
1 1 1   21   12   40 o   20.720   1.7254   59.251   9.5151   56.285   11.283   66.554   17.706   20.052   2.1275   21.324   3.1894 -1.271944 3.833840 
1 1 1   21   12   41 o   18.636   2.2740   49.193   11.146   48.839   18.150   49.407   14.123   17.736   3.9150   18.359   2.9651 -0.6239452 4.911091 
1 1 1   21   12   42 f   7.9155   3.4864  -0.8422   14.406   3.3058   18.461  -7.3010   23.037   9.3296   4.0297   9.1386   4.1812 0.1909513 5.807000 
1 1 1   21   12   43 f   23.750   2.2756   80.387   14.339   74.900   21.476   84.801   19.261   21.866   3.7943   23.855   3.0779 -1.989681 4.885712 
1 1 1   21   12   44 o   8.0254   3.5410   0.0328   14.924  -2.6453   19.352   3.9630   23.444   8.6631   3.9115   10.019   4.4285 -1.356370 5.908643 
1 1 1   21   12   45 o   6.8134   3.1007  -4.2606   12.455  -2.6396   20.247  -5.2473   15.797   8.7307   3.9656   7.5558   3.4590 1.174865 5.262186 
1 1 1   21   12   46 o   23.697   2.6204   83.644   16.400  -2.2840   31.021  116.975   19.320   10.150   4.7174   28.086   2.5903 -17.93623 5.381738 
1 1 1   21   13  -42 o   11.021   4.7893   9.4910   26.394   0.0000   0.0000   9.4910   26.394  ?   ?    11.021   4.7893 0.000000 4.789327 
1 1 1   21   13  -41 o   9.2065   3.8901   5.5992   16.538   0.0000   0.0000   5.5992   16.538  ?   ?    9.2065   3.8901 0.000000 3.890101 
1 1 1   21   13  -40 o   22.791   3.2347   77.168   19.246   0.0000   0.0000   77.168   19.246  ?   ?    22.791   3.2347 0.000000 3.234731 
1 1 1   21   13  -39 o   38.629   1.5528  204.120   16.111  205.274   22.148  202.822   23.479   38.359   2.1585   38.026   2.3098 0.3327637 3.161390 
1 1 1   21   13  -38 o   22.967   1.8209   72.879   11.141   59.490   13.740   98.574   19.034   20.454   2.5569   26.302   2.7342 -5.848577 3.743526 
1 1 1   21   13  -37 o   11.773   2.8566   20.304   8.9413   9.4398   12.279   32.570   13.046   9.2453   3.5388   14.793   3.3600 -5.547429 4.879872 
1 1 1   21   13  -36 o   8.6843   3.0266   9.8019   8.6676 -14.4322   11.958   36.629   12.581   5.8026   2.7665   15.849   3.0664 -10.04667 4.129922 
1 1 1   21   13  -35 o   54.401   1.0641  399.971   15.549  412.679   22.381  388.115   21.618   55.081   1.5128   53.420   1.5067 1.661728 2.135108 
1 1 1   21   13  -34 o   35.938   1.6345  175.967   15.777  192.973   20.494  151.224   24.720   37.431   2.0462   32.741   2.8392 4.690689 3.499693 
1 1 1   21   13  -33 o   10.483   3.5024   15.189   11.581   30.426   17.291   2.7930   15.596   14.210   4.2221   8.9120   3.7724 5.297894 5.661837 
1 1 1   21   13  -32 o   31.829   1.3602  137.396   11.628  129.732   16.109  145.736   16.803   30.708   1.9633   32.566   1.9296 -1.858564 2.752844 
1 1 1   21   13  -31 o   6.8256   2.9269   0.1767   9.6047   32.295   14.446 -25.2666   12.858   14.721   3.6672   5.2916   2.6010 9.429735 4.495946 
1 1 1   21   13  -30 o   5.4322   2.5120  -6.5933   8.6318  -7.4358   11.700  -5.5870   12.786   6.4580   2.9639   7.0336   3.1773 -0.5755987 4.345113 
1 1 1   21   13  -29 o   10.394   3.2557   15.276   10.106   25.753   16.290   8.7222   12.885   13.239   4.1314   9.3039   3.6081 3.935340 5.485177 
1 1 1   21   13  -28 o   35.211   1.1767  167.604   11.129  159.734   15.654  175.646   15.825   34.252   1.7015   35.935   1.6396 -1.682964 2.362889 
1 1 1   21   13  -27 o   17.880   1.8151   44.000   8.5960   50.189   12.283   38.058   12.034   18.924   2.4759   16.324   2.8483 2.599337 3.774017 
1 1 1   21   13  -26 o   22.160   1.5009   66.882   8.8808   63.528   12.398   70.416   12.727   21.427   2.1849   22.587   2.1227 -1.160229 3.046198 
1 1 1   21   13  -25 o   28.567   1.2948  110.338   9.9349  112.451   14.070  108.237   14.031   28.685   1.8358   28.132   1.8675 0.5533257 2.618719 
1 1 1   21   13  -24 o   14.857   2.2184   30.830   8.5815   20.391   12.268   40.830   12.008   11.930   3.5590   17.001   2.7214 -5.071336 4.480260 
1 1 1   21   13  -23 o   11.124   1.5959   17.105   4.6316   14.398   5.0803   30.433   11.272   10.121   1.9395   14.570   2.9807 -4.449709 3.556178 
1 1 1   21   13  -22 o   27.746   1.2283  103.940   9.1536  103.062   12.342  105.013   13.646   27.516   1.6781   27.738   1.8421 -0.2224236 2.491819 
1 1 1   21   13  -21 o   16.782   1.5001   38.410   6.6906   36.040   8.2651   42.916   11.395   16.166   1.9424   17.528   2.4905 -1.361843 3.158410 
1 1 1   21   13  -20 o   19.363   1.2496   50.817   6.4639   47.407   8.7580   54.896   9.5798   18.610   1.7736   20.033   1.7996 -1.422909 2.526703 
1 1 1   21   13  -19 o   36.000   0.8420  174.448   8.1419  164.542   11.852  183.301   11.204   34.914   1.2639   36.869   1.1314 -1.955189 1.696317 
1 1 1   21   13  -18 o   19.177   1.3278   49.892   6.7972   49.596   8.8538   50.318   10.607   19.048   1.7502   19.115   2.1007 -0.6678200E-01 2.734249 
1 1 1   21   13  -17 o   34.224   0.9710  157.749   8.9260  155.476   11.575  161.084   14.021   33.941   1.2696   34.513   1.5125 -0.5711975 1.974770 
1 1 1   21   13  -16 o   48.583   0.9200  317.778   12.005  284.873   18.154  343.349   16.004   45.908   1.4723   50.458   1.1809 -4.550083 1.887356 
1 1 1   21   13  -15 o   29.752   0.8877  119.150   7.0940  121.633   10.669  117.183   9.4974   30.018   1.3233   29.477   1.1996 0.5408173 1.786073 
1 1 1   21   13  -14 o   52.275   0.7648  367.602   10.739  366.390   16.610  368.471   14.076   52.128   1.1863   52.306   1.0019 -0.1777725 1.552803 
1 1 1   21   13  -13 o   44.809   0.8036  270.126   9.6713  278.935   14.387  262.863   13.063   45.487   1.1775   44.168   1.1012 1.319317 1.612214 
1 1 1   21   13  -12 o   24.329   1.0215   79.716   6.6752   71.478   9.6304   87.334   9.2608   22.941   1.5724   25.402   1.3623 -2.460445 2.080486 
1 1 1   21   13  -11 o   50.479   0.7976  342.771   10.813  330.103   15.862  353.769   14.780   49.486   1.1934   51.247   1.0738 -1.761410 1.605362 
1 1 1   21   13  -10 o   23.332   0.9629   73.280   6.0340   64.726   8.2027   83.367   8.9077   21.854   1.4049   24.823   1.3410 -2.968382 1.942177 
1 1 1   21   13   -9 o   24.485   0.9924   80.708   6.5266   86.596   9.4558   75.350   9.0197   25.294   1.3973   23.584   1.4307 1.709509 1.999793 
1 1 1   21   13   -8 o   27.898   1.0674  104.810   7.9981   87.548   13.141  114.967   10.080   25.343   1.9454   29.200   1.2853 -3.856792 2.331643 
1 1 1   21   13   -7 o   44.281   0.9537  263.901   11.342  253.410   16.285  273.785   15.806   43.338   1.3990   45.060   1.3060 -1.722111 1.913907 
1 1 1   21   13   -6 o   22.640   1.1624   69.235   7.0448   67.577   9.5510   71.213   10.433   22.308   1.6047   22.887   1.7096 -0.5786819 2.344729 
1 1 1   21   13   -5 o   23.176   1.0301   72.307   6.4121   76.808   9.6872   68.798   8.5542   23.804   1.5232   22.537   1.4204 1.266262 2.082685 
1 1 1   21   13   -4 o   26.683   0.9570   95.815   6.8583  107.672   10.588   87.243   9.0022   28.253   1.3953   25.403   1.3240 2.849564 1.923438 
1 1 1   21   13   -3 o   59.078   0.8238  469.428   13.072  467.267   20.268  470.968   17.106   58.878   1.2816   59.142   1.0768 -0.2647324 1.673965 
1 1 1   21   13   -2 o   27.471   1.0625  101.604   7.8394  114.044   12.173   92.789   10.247   29.020   1.5676   26.183   1.4629 2.837057 2.144211 
1 1 1   21   13   -1 o   53.407   0.9575  383.832   13.735  382.682   20.676  384.741   18.375   53.258   1.4454   53.427   1.2805 -0.1696129 1.931045 
1 1 1   21   13    0 o   11.895   2.0264   19.695   6.2419   25.119   10.595   16.812   7.7248   13.285   3.0356   10.890   2.6631 2.394933 4.038190 
1 1 1   21   13    1 o   33.855   0.8416  154.163   7.6525  150.538   11.325  157.209   10.381   33.422   1.2616   34.166   1.1312 -0.7442894 1.694509 
1 1 1   21   13    2 o   32.646   0.8504  143.359   7.4570  139.603   11.076  146.473   10.085   32.183   1.2814   32.978   1.1386 -0.7949677 1.714135 
1 1 1   21   13    3 o   21.740   1.0737   63.638   6.2693   56.059   9.0887   70.516   8.6592   20.298   1.6822   22.820   1.4198 -2.521202 2.201314 
1 1 1   21   13    4 o   62.854   0.8050  531.332   13.590  525.067   20.074  536.634   18.465   62.427   1.1972   63.128   1.0890 -0.7015839 1.618402 
1 1 1   21   13    5 o   52.514   0.7869  370.883   11.099  378.550   16.461  364.493   15.029   53.011   1.1562   52.028   1.0755 0.9828300 1.579026 
1 1 1   21   13    6 o   62.284   0.8083  521.762   13.522  510.298   19.874  531.643   18.451   61.538   1.2024   62.831   1.0933 -1.292217 1.625163 
1 1 1   21   13    7 o   35.938   0.8598  173.755   8.2990  165.284   12.419  180.590   11.155   35.009   1.3207   36.614   1.1343 -1.605068 1.741002 
1 1 1   21   13    8 o   36.696   0.9497  181.242   9.3607  181.714   12.920  180.720   13.580   36.708   1.3105   36.599   1.3815 0.1090851 1.904175 
1 1 1   21   13    9 o   18.064   1.3111   44.237   6.3180   50.475   9.1174   38.474   8.7631   19.230   1.7856   16.729   1.9893 2.500553 2.673130 
1 1 1   21   13   10 o   16.326   1.4268   36.254   6.1940   41.528   8.8906   31.279   8.6342   17.398   1.9354   15.014   2.2069 2.383251 2.935348 
1 1 1   21   13   11 o   23.941   1.0757   77.206   6.9170   74.207   9.9259   80.038   9.6444   23.376   1.5904   24.298   1.4849 -0.9217567 2.175832 
1 1 1   21   13   12 o   36.758   0.9712  181.918   9.5889  162.402   16.025  192.803   11.968   34.636   1.7226   37.819   1.1782 -3.182972 2.086942 
1 1 1   21   13   13 o   22.211   1.3381   66.820   7.9458   61.213   14.082   69.439   9.6241   21.017   2.5467   22.604   1.5954 -1.587769 3.005188 
1 1 1   21   13   14 o   84.560   1.0149  963.084   23.051  939.684   34.369  982.216   31.078   83.370   1.5349   85.298   1.3565 -1.928078 2.048396 
1 1 1   21   13   15 o   45.243   0.8661  275.491   10.525  279.626   15.345  271.817   14.464   45.526   1.2549   44.895   1.1995 0.6312714 1.735953 
1 1 1   21   13   16 o   12.223   2.0683   20.861   6.5481   18.073   8.9948   24.005   9.5510   11.251   2.9430   12.976   2.8209 -1.725613 4.076553 
1 1 1   21   13   17 o   26.799   1.1277   96.827   8.1171   93.606   12.976   98.898   10.404   26.199   1.8560   27.014   1.4391 -0.8143406 2.348586 
1 1 1   21   13   18 o   16.649   1.6787   37.924   7.4041   51.270   12.281   30.302   9.2805   19.217   2.4338   14.701   2.4357 4.516297 3.443210 
1 1 1   21   13   19 o   51.804   0.8773  361.291   12.206  388.940   20.281  345.588   15.285   53.645   1.4076   50.625   1.1241 3.019859 1.801345 
1 1 1   21   13   20 o   30.673   1.0666  126.829   8.7876  136.454   14.318  121.012   11.130   31.683   1.6887   29.923   1.3849 1.759609 2.183912 
1 1 1   21   13   21 o   27.809   1.2072  104.374   9.0170  104.045   11.562  104.886   14.405   27.676   1.5618   27.701   1.9485 -0.2545929E-01 2.497153 
1 1 1   21   13   22 o   35.680   0.9373  171.502   8.9827  180.458   11.691  158.593   14.035   36.565   1.1904   34.223   1.5269 2.341976 1.936047 
1 1 1   21   13   23 o   71.857   0.8846  695.434   17.074  690.938   22.591  701.422   26.073   71.546   1.1756   72.029   1.3477 -0.4832458 1.788415 
1 1 1   21   13   24 o   26.946   1.1401   98.000   8.2516  101.314   10.265   91.946   13.873   27.328   1.4032   25.890   2.0108 1.437624 2.451992 
1 1 1   21   13   25 o   30.513   1.0342  125.576   8.4754  125.967   11.087  125.027   13.147   30.513   1.3528   30.309   1.6208 0.2045174 2.111185 
1 1 1   21   13   26 o   19.583   1.3520   52.148   7.0678   46.483   9.0374   61.070   11.341   18.380   1.8561   21.047   2.0314 -2.666964 2.751678 
1 1 1   21   13   27 o   49.770   0.8533  333.754   11.407  336.884   15.122  329.623   17.374   49.941   1.1274   49.350   1.3108 0.5908928 1.728878 
1 1 1   21   13   28 o   51.964   0.8550  363.891   11.933  356.393   15.736  374.037   18.305   51.356   1.1408   52.564   1.2965 -1.208561 1.726966 
1 1 1   21   13   29 o   27.486   1.0524  102.018   7.7694   97.799   10.240  107.741   11.928   26.814   1.4269   28.106   1.5865 -1.292305 2.133792 
1 1 1   21   13   30 o   16.663   1.5403   38.050   6.8155   39.003   8.8569   36.668   10.672   16.758   2.0078   16.078   2.5569 0.6791725 3.250952 
1 1 1   21   13   31 o   38.629   1.0033  201.450   10.410  215.097   14.044  184.809   15.508   39.841   1.3124   36.860   1.5665 2.981461 2.043592 
1 1 1   21   13   32 o   13.292   1.9376   24.674   6.7139   21.965   8.6528   28.772   10.643   12.331   2.6883   14.089   2.9089 -1.757611 3.960910 
1 1 1   21   13   33 o   16.575   1.6027   37.739   7.0460   29.899   9.2479   48.587   10.879   14.505   2.4618   18.656   2.2142 -4.151782 3.311048 
1 1 1   21   13   34 o   12.219   2.4062   21.343   7.6160   26.620   10.337   15.079   11.264   13.529   2.9296   10.420   3.4530 3.109282 4.528308 
1 1 1   21   13   35 o   5.1940   2.3127  -2.2064   6.5103  -5.7544   8.4085   3.1036   10.287   5.4456   2.5042   7.5572   3.1211 -2.111616 4.001559 
1 1 1   21   13   36 o   13.659   1.8768   26.020   6.7033   25.506   8.6278   26.802   10.648   13.342   2.4994   13.530   3.0079 -0.1877060 3.910862 
1 1 1   21   13   37 o   40.126   0.9176  217.382   9.8894  211.520   13.014  225.391   15.214   39.499   1.2267   40.719   1.3910 -1.219788 1.854656 
1 1 1   21   13   38 o   36.899   0.9994  184.110   9.9044  197.525   12.684  163.153   15.854   38.150   1.2379   34.508   1.7105 3.641762 2.111441 
1 1 1   21   13   39 o   21.610   1.8516   64.803   10.643   71.358   13.611   54.488   17.074   22.501   2.2838   19.058   3.4632 3.443569 4.148412 
1 1 1   21   13   40 o   6.8595   3.0082  -0.9740   10.622   4.2962   16.097  -5.0389   14.137   9.0141   3.8250   7.3514   3.3290 1.662771 5.070794 
1 1 1   21   13   41 o   9.0689   3.5113   9.6206   12.187 -13.8023   18.804   26.586   16.003   7.6482   3.5929   12.908   4.1039 -5.259531 5.454446 
1 1 1   21   13   42 o   8.6892   3.5217   7.3660   12.795   10.232   19.372   5.1480   17.040   10.202   4.2538   9.1519   3.9108 1.049806 5.778323 
1 1 1   21   13   43 o   20.106   2.8195   60.415   14.807   97.850   27.486   45.109   17.576   24.091   4.4103   16.488   4.0079 7.603394 5.959314 
1 1 1   21   13   44 o   11.836   4.3731   23.295   18.388   26.800   30.290   21.250   23.139   12.667   5.3036   11.710   4.7395 0.9568357 7.112689 
1 1 1   21   13   45 o   8.7440   3.7458   6.0584   15.703   0.0000   0.0000   6.0584   15.703  ?   ?    8.7440   3.7458 0.000000 3.745788 
1 1 1   21   14  -40 o   22.012   3.3032   73.688   18.927   0.0000   0.0000   73.688   18.927  ?   ?    22.012   3.3032 0.000000 3.303158 
1 1 1   21   14  -39 o   20.898   3.3134   65.863   17.978   0.0000   0.0000   65.863   17.978  ?   ?    20.898   3.3134 0.000000 3.313405 
1 1 1   21   14  -38 o   7.0421   3.1456  -3.0014   12.147   22.881   18.160 -23.9562   16.340   12.354   4.3749   6.3314   3.0723 6.022568 5.345944 
1 1 1   21   14  -37 o   8.4143   3.3644   6.3863   11.507   3.5033   16.291   9.2570   16.256   9.0218   3.8387   9.8647   3.9795 -0.8429794 5.529224 
1 1 1   21   14  -36 o   14.651   2.4960   30.790   9.4702   39.026   13.611   23.062   13.185   16.232   3.2355   12.387   3.6883 3.845676 4.906268 
1 1 1   21   14  -35 o   14.427   2.4580   29.740   9.1831   25.657   12.773   34.108   13.211   13.077   3.5469   15.148   3.3372 -2.071170 4.870056 
1 1 1   21   14  -34 o   25.589   1.4692   89.362   10.056   93.088   14.313   85.730   14.131   25.918   2.0734   24.842   2.1387 1.076164 2.978727 
1 1 1   21   14  -33 o   25.019   1.4878   85.421   9.9526   72.975   13.932   98.394   14.223   22.860   2.3003   26.692   1.9984 -3.832586 3.047088 
1 1 1   21   14  -32 o   20.124   1.9243   55.992   10.274   47.885   13.285   68.055   16.205   18.305   2.7904   21.869   2.8250 -3.564072 3.970781 
1 1 1   21   14  -31 o   32.746   1.4914  145.800   13.117  144.204   18.136  147.552   18.995   32.308   2.1014   32.649   2.1786 -0.3406868 3.026866 
1 1 1   21   14  -30 o   27.244   1.5922  101.411   11.600  128.688   18.348   83.250   14.972   30.451   2.2595   24.440   2.3081 6.010321 3.229949 
1 1 1   21   14  -29 o   26.047   1.4809   92.492   10.318   91.913   14.173   93.146   15.049   25.786   2.0636   25.917   2.1822 -0.1303024 3.003454 
1 1 1   21   14  -28 o   23.481   1.7123   75.583   10.725   85.172   13.580   59.694   17.482   24.826   2.0551   20.275   3.3257 4.551277 3.909403 
1 1 1   21   14  -27 o   22.275   1.9475   68.427   11.534   80.131   17.309   59.078   15.470   23.823   2.7559   20.354   2.9128 3.469521 4.009880 
1 1 1   21   14  -26 o   9.6933   3.0861   13.098   9.0475   5.2279   14.186   18.494   11.746   8.9726   3.6809   11.347   3.5029 -2.373975 5.081245 
1 1 1   21   14  -25 o   8.5782   2.9323   9.6062   8.1195  -2.6985   11.390   22.318   11.577   6.9809   3.0861   12.352   3.3879 -5.371124 4.582753 
1 1 1   21   14  -24 o   41.952   0.9457  237.312   10.656  235.876   13.768  239.457   16.829   41.767   1.2273   42.015   1.4913 -0.2480354 1.931360 
1 1 1   21   14  -23 o   12.693   2.0046   22.517   6.6071   18.886   7.9508   30.619   11.878   11.470   2.6361   14.539   3.1340 -3.068912 4.095259 
1 1 1   21   14  -22 o   10.601   2.2052   15.940   6.0742   8.3924   7.9640   26.436   9.3919   8.2271   2.8990   13.615   2.6638 -5.387439 3.936956 
1 1 1   21   14  -21 o   39.222   1.0085  207.426   10.625  216.060   16.678  201.529   13.783   39.920   1.5555   38.604   1.3293 1.316498 2.046117 
1 1 1   21   14  -20 o   29.231   0.9415  115.134   7.3917  121.832   11.194  109.956   9.8429   30.010   1.3888   28.525   1.2847 1.485277 1.891865 
1 1 1   21   14  -19 o   43.700   0.7855  257.049   9.2204  256.695   14.336  257.299   12.041   43.600   1.2242   43.687   1.0262 -0.8680344E-01 1.597426 
1 1 1   21   14  -18 o   9.9552   2.5408   14.129   6.8164   14.514   11.228   13.904   8.5782   10.385   3.4478   9.9505   2.9777 0.4346876 4.555647 
1 1 1   21   14  -17 o   41.921   0.8776  236.633   9.8812  252.664   14.049  220.939   13.900   43.266   1.2089   40.446   1.2796 2.819630 1.760338 
1 1 1   21   14  -16 o   65.358   0.8661  575.123   15.204  578.188   21.724  572.180   21.285   65.447   1.2358   65.111   1.2171 0.3358841 1.734558 
1 1 1   21   14  -15 o   77.330   0.8739  805.102   18.152  816.008   26.958  796.058   24.551   77.736   1.2912   76.812   1.1900 0.9244766 1.755892 
1 1 1   21   14  -14 o   28.561   1.0132  109.911   7.7728  112.544   10.524  106.753   11.529   28.863   1.3576   28.046   1.5363 0.8166924 2.050188 
1 1 1   21   14  -13 o   31.290   0.9045  131.829   7.6020  131.297   9.3428  132.870   13.077   31.206   1.1147   31.334   1.5538 -0.1282635 1.912262 
1 1 1   21   14  -12 o   21.062   1.1505   60.000   6.4839   68.402   7.9522   43.336   11.199   22.469   1.3235   17.646   2.4272 4.822523 2.764581 
1 1 1   21   14  -11 o   31.974   0.8812  137.621   7.5677  137.084   9.9263  138.367   11.695   31.884   1.1591   32.008   1.3603 -0.1240845 1.787172 
1 1 1   21   14  -10 o   19.466   1.1227   51.250   5.8450   47.436   7.9186   55.815   8.6637   18.656   1.5956   20.246   1.6064 -1.589773 2.264215 
1 1 1   21   14   -9 o   9.7199   2.0833   13.331   5.2754   5.7093   7.0510   23.021   7.9507   7.2886   2.7050   12.784   2.4037 -5.495825 3.618640 
1 1 1   21   14   -8 o   19.199   1.1792   49.885   6.0510   44.667   8.1781   56.198   8.9950   18.083   1.7039   20.308   1.6637 -2.225363 2.381400 
1 1 1   21   14   -7 o   42.643   0.8651  244.733   9.9081  243.487   13.884  246.026   14.144   42.490   1.2166   42.708   1.2330 -0.2185211 1.732149 
1 1 1   21   14   -6 o   31.544   0.9377  133.957   7.9447  131.894   12.501  135.355   10.290   31.241   1.4898   31.682   1.2093 -0.4410419 1.918787 
1 1 1   21   14   -5 o   39.187   0.8970  206.693   9.4416  201.701   13.509  211.461   13.202   38.663   1.3008   39.596   1.2413 -0.9326897 1.798060 
1 1 1   21   14   -4 o   51.829   0.7965  361.385   11.087  348.395   16.482  372.122   14.985   50.831   1.2072   52.558   1.0615 -1.726311 1.607512 
1 1 1   21   14   -3 o   16.663   1.3598   37.723   6.0327   44.824   9.3058   32.575   7.9230   18.074   1.9477   15.373   1.9638 2.701667 2.765823 
1 1 1   21   14   -2 o   11.608   1.9918   18.791   5.9863   12.962   9.3437   22.850   7.7967   9.7881   3.1384   12.752   2.3634 -2.964004 3.928712 
1 1 1   21   14   -1 o   55.681   0.8054  417.098   12.044  413.842   16.236  421.083   17.961   55.422   1.0907   55.887   1.1965 -0.4644127 1.619044 
1 1 1   21   14    0 o   16.391   1.4260   36.550   6.2155   40.624   8.2952   31.336   9.3856   17.222   1.8210   14.977   2.4154 2.244764 3.024877 
1 1 1   21   14    1 o   28.908   0.9213  112.487   7.1538  117.395   10.063  107.474   10.172   29.501   1.2700   28.220   1.3420 1.281275 1.847626 
1 1 1   21   14    2 o   20.000   1.1354   54.079   6.0739   53.715   8.5315   54.452   8.6493   19.865   1.6129   20.000   1.6242 -0.1348362 2.288981 
1 1 1   21   14    3 o   37.738   0.7916  191.587   8.0240  188.059   11.301  195.173   11.395   37.356   1.1263   38.057   1.1147 -0.7013474 1.584691 
1 1 1   21   14    4 o   14.373   1.5044   28.217   5.7218   30.978   7.8523   25.092   8.3547   14.977   2.0021   13.365   2.4163 1.611866 3.138021 
1 1 1   21   14    5 o   70.606   0.8047  670.703   15.261  647.965   21.256  694.890   21.923   69.335   1.1414   71.803   1.1367 -2.467751 1.610900 
1 1 1   21   14    6 o   39.377   0.8254  208.639   8.7299  212.312   11.903  204.363   12.842   39.691   1.1166   38.926   1.2283 0.7644730 1.659925 
1 1 1   21   14    7 o   58.237   0.8479  456.415   13.263  451.432   17.185  463.754   20.858   57.877   1.1055   58.617   1.3248 -0.7399139 1.725469 
1 1 1   21   14    8 o   38.186   0.8079  196.194   8.2860  202.134   11.566  189.932   11.876   38.726   1.1120   37.531   1.1782 1.195335 1.620032 
1 1 1   21   14    9 o   19.648   1.1809   52.244   6.2032   43.913   8.4369   62.046   9.1522   17.914   1.7769   21.354   1.6075 -3.440014 2.396166 
1 1 1   21   14   10 o   38.449   0.8218  198.940   8.4866  199.659   11.764  198.161   12.255   38.483   1.1382   38.331   1.1903 0.1516113 1.646887 
1 1 1   21   14   11 o   7.4150   2.4907   7.0824   5.8572  -2.1452   8.0840   17.280   8.4981   5.9173   2.6087   11.003   2.8520 -5.085639 3.865146 
1 1 1   21   14   12 o   15.672   1.7112   33.670   7.0860   34.584   11.141   33.049   9.1827   15.649   2.7510   15.403   2.2893 0.2464533 3.578939 
1 1 1   21   14   13 o   49.621   1.0017  331.718   13.351  327.282   21.707  334.417   16.932   49.155   1.6442   49.775   1.2665 -0.6193123 2.075418 
1 1 1   21   14   14 o   80.127   0.8560  864.266   18.421  862.176   25.804  866.440   26.307   79.938   1.2018   80.129   1.2224 -0.1909866 1.714199 
1 1 1   21   14   15 o   54.707   0.8796  402.957   12.925  412.980   18.051  392.413   18.515   55.319   1.2149   53.910   1.2786 1.409187 1.763771 
1 1 1   21   14   16 o   51.302   0.9370  354.503   12.912  332.874   18.653  374.399   17.890   49.622   1.3995   52.658   1.2649 -3.035831 1.886434 
1 1 1   21   14   17 o   32.835   1.0834  145.378   9.5551  156.455   14.688  137.250   12.581   33.980   1.6093   31.850   1.4707 2.130407 2.180109 
1 1 1   21   14   18 o   26.472   1.2631   94.645   8.9808   93.833   13.425   95.303   12.082   26.194   1.9216   26.449   1.7099 -0.2547016 2.572269 
1 1 1   21   14   19 o   15.769   2.1638   34.565   8.9230   38.125   11.760   29.735   13.699   16.414   2.7658   14.278   3.5790 2.136232 4.523122 
1 1 1   21   14   20 o   28.272   1.2274  107.956   9.3205   96.755   13.257  118.905   13.107   26.603   1.8671   29.557   1.6577 -2.953545 2.496825 
1 1 1   21   14   21 o   32.176   0.9874  139.566   8.5333  141.660   12.511  137.745   11.669   32.346   1.4400   31.910   1.3615 0.4363880 1.981755 
1 1 1   21   14   22 o   33.642   0.9656  152.578   8.7254  157.108   12.961  148.823   11.800   34.063   1.4167   33.170   1.3245 0.8932076 1.939364 
1 1 1   21   14   23 o   37.548   1.0214  190.184   10.300  192.945   14.673  187.502   14.463   37.734   1.4478   37.198   1.4476 0.5360489 2.047354 
1 1 1   21   14   24 o   21.544   1.2987   63.034   7.4801   63.000   9.4906   63.089   12.154   21.464   1.6591   21.351   2.1485 0.1126537 2.714523 
1 1 1   21   14   25 o   36.940   0.9199  183.999   9.1275  197.101   12.035  166.260   14.004   38.185   1.1735   35.000   1.4897 3.184277 1.896336 
1 1 1   21   14   26 o   5.5970   2.3792   0.3152   6.2468  -5.2925   8.0647   8.7256   9.8766   5.3799   2.4660   8.6747   3.2050 -3.294780 4.043913 
1 1 1   21   14   27 o   38.963   0.8922  204.712   9.3370  215.644   12.703  191.866   13.771   39.927   1.1845   37.617   1.3629 2.309502 1.805746 
1 1 1   21   14   28 o   34.806   0.9235  163.438   8.6333  155.665   11.505  173.457   13.062   33.902   1.2634   35.763   1.3598 -1.861122 1.856185 
1 1 1   21   14   29 o   11.735   2.3276   19.656   7.0771   30.414   9.6723   7.2603   10.383   14.598   2.5602   8.4316   3.2476 6.166394 4.135381 
1 1 1   21   14   30 o   5.8147   2.4660   0.5247   6.6850   6.4698   8.3963  -9.7701   11.049   7.7686   2.9376   5.9566   2.7841 1.811968 4.047275 
1 1 1   21   14   31 o   23.812   1.3060   77.097   8.3207   80.690   11.007   72.305   12.711   24.260   1.6999   22.836   2.0958 1.424503 2.698520 
1 1 1   21   14   32 o   25.818   1.1829   90.225   8.2030   89.570   10.608   91.199   12.938   25.608   1.5496   25.738   1.8846 -0.1303444 2.439860 
1 1 1   21   14   33 o   10.688   2.4988   16.496   7.0453   18.904   8.6213   11.656   12.224   11.388   2.8309   9.7313   3.5704 1.656329 4.556463 
1 1 1   21   14   34 o   19.350   1.4342   51.172   7.4008   49.225   9.3591   54.421   12.090   18.861   1.8722   19.687   2.3317 -0.8266907 2.990322 
1 1 1   21   14   35 o   7.1260   2.7053   5.3487   7.1387   10.306   8.3074  -8.6464   13.958   8.7504   2.9662   6.9961   3.2206 1.754233 4.378431 
1 1 1   21   14   36 o   12.238   2.1333   21.288   6.7574   33.559   8.6818   2.4299   10.763   15.429   2.1537   7.5235   3.1564 7.905414 3.821146 
1 1 1   21   14   37 o   21.558   1.6807   64.114   9.6550   74.601   13.393   52.765   13.932   23.061   2.1884   19.097   2.7992 3.964304 3.553122 
1 1 1   21   14   38 o   14.602   2.8163   31.407   10.645   25.340   17.409   35.030   13.453   12.797   4.2941   15.176   3.3864 -2.379572 5.468678 
1 1 1   21   14   39 o   24.184   1.9759   81.953   12.722   92.948   19.051   73.103   17.092   25.213   2.8640   22.294   2.9249 2.919523 4.093643 
1 1 1   21   14   40 o   14.216   3.3398   31.380   12.535   27.943   19.691   33.722   16.255   13.052   4.5611   14.363   4.0425 -1.311311 6.094748 
1 1 1   21   14   41 o   13.847   3.3901   30.282   12.507   23.047   19.090   35.724   16.555   12.023   4.4530   14.634   4.0660 -2.610927 6.030115 
1 1 1   21   14   42 o   15.673   4.1250   41.920   17.601   0.0000   0.0000   41.920   17.601  ?   ?    15.673   4.1250 0.000000 4.124969 
1 1 1   21   14   43 o   21.377   3.2162   71.666   17.894   0.0000   0.0000   71.666   17.894  ?   ?    21.377   3.2162 0.000000 3.216241 
1 1 1   21   14   44 o   13.401   4.8767   35.550   22.737   0.0000   0.0000   35.550   22.737  ?   ?    13.401   4.8767 0.000000 4.876663 
1 1 1   21   15  -39 o   21.505   4.5682   78.920   25.572   0.0000   0.0000   78.920   25.572  ?   ?    21.505   4.5682 0.000000 4.568227 
1 1 1   21   15  -37 o   19.906   2.4403   56.903   12.774   40.004   18.490   72.334   17.669   15.655   4.2764   22.094   3.0595 -6.439601 5.258109 
1 1 1   21   15  -36 o   12.061   3.4177   22.142   11.577   27.478   15.650   15.692   17.206   13.246   4.0351   10.991   4.1934 2.255015 5.819478 
1 1 1   21   15  -35 o   30.390   1.4552  126.036   11.878  124.039   15.227  129.140   18.983   29.923   1.9044   30.296   2.3512 -0.3726654 3.025763 
1 1 1   21   15  -34 o   17.142   2.0731   41.182   9.3509   47.113   13.162   35.138   13.288   18.061   2.8041   15.339   3.3214 2.721874 4.346812 
1 1 1   21   15  -33 o   12.737   2.7257   23.627   9.0435   30.386   12.785   16.858   12.794   14.254   3.3891   10.917   3.6810 3.337272 5.003603 
1 1 1   21   15  -32 o   23.211   1.6075   73.848   9.9596   61.651   13.906   86.696   14.272   20.880   2.5312   24.967   2.1491 -4.087196 3.320522 
1 1 1   21   15  -31 o   19.243   1.8589   51.199   9.4882   41.445   13.398   61.013   13.439   16.875   3.0690   20.816   2.4507 -3.940662 3.927403 
1 1 1   21   15  -30 o   33.242   1.6449  150.762   14.686  149.443   23.218  151.641   18.961   32.583   2.6767   33.094   2.1447 -0.5112343 3.429927 
1 1 1   21   15  -29 o   24.408   1.6802   81.691   10.948   77.948   14.305   86.982   17.009   23.636   2.2817   24.851   2.5862 -1.215137 3.448833 
1 1 1   21   15  -28 o   27.720   1.4947  104.816   11.087   92.080   14.583  122.266   17.069   25.769   2.1259   29.705   2.1540 -3.936005 3.026422 
1 1 1   21   15  -27 o   29.613   1.4970  119.570   11.868  115.186   14.803  127.457   19.856   28.925   1.9163   30.195   2.4699 -1.269943 3.126078 
1 1 1   21   15  -26 o   29.422   1.4570  117.641   11.514  135.446   15.813   97.551   16.797   31.394   1.8841   26.433   2.3918 4.960495 3.044703 
1 1 1   21   15  -25 o   12.539   2.0108   22.083   6.5434   18.650   7.8139   30.142   11.971   11.360   2.6151   14.333   3.1916 -2.973402 4.126124 
1 1 1   21   15  -24 o   22.809   1.4010   70.848   8.5416   72.805   11.263   68.198   13.104   23.010   1.8378   22.141   2.2339 0.8681870 2.892776 
1 1 1   21   15  -23 o   59.273   0.8879  473.715   14.136  452.754   19.699  495.968   20.298   57.827   1.2683   60.531   1.2485 -2.704422 1.779695 
1 1 1   21   15  -22 o   26.134   1.1760   92.341   8.2546   97.104   10.708   85.365   12.958   26.703   1.4991   24.910   1.9525 1.793653 2.461574 
1 1 1   21   15  -21 o   9.6666   2.2476   13.340   5.7249   17.127   8.7518   10.507   7.5690   10.890   2.9285   8.7694   2.8260 2.120288 4.069717 
1 1 1   21   15  -20 o   54.381   0.8326  398.384   12.161  391.878   20.357  401.993   15.163   53.781   1.4093   54.582   1.0343 -0.8001556 1.748109 
1 1 1   21   15  -19 f   26.034   1.2339   91.613   8.6278   89.200   15.269   92.745   10.457   25.402   2.2616   26.113   1.4972 -0.7108040 2.712312 
1 1 1   21   15  -18 o   32.163   0.9525  139.446   8.2283  144.484   11.970  134.933   11.329   32.675   1.3639   31.582   1.3356 1.093510 1.908955 
1 1 1   21   15  -17 o   46.101   0.8412  286.221   10.415  272.562   15.240  298.192   14.268   44.908   1.2635   47.002   1.1302 -2.093803 1.695191 
1 1 1   21   15  -16 o   14.024   1.6734   27.063   6.1788   24.904   8.4126   29.593   9.1047   13.267   2.4512   14.498   2.4237 -1.231459 3.447099 
1 1 1   21   15  -15 o   22.944   1.2192   71.288   7.4863   69.720   9.6471   73.663   11.870   22.621   1.5980   23.183   1.9236 -0.5612431 2.500817 
1 1 1   21   15  -14 o   11.748   1.7797   19.160   5.4400   20.313   6.9709   17.364   8.6998   12.003   2.2448   11.004   2.9020 0.9992886 3.668866 
1 1 1   21   15  -13 o   26.778   0.9319   96.597   6.7023   98.913   8.9641   93.661   10.093   27.065   1.2331   26.273   1.4357 0.7920742 1.892569 
1 1 1   21   15  -12 o   3.9512   1.8616  -5.5871   5.1140  -6.4475   6.4778  -4.1639   8.3315   4.5252   2.1204   5.6832   2.5662 -1.157935 3.328900 
1 1 1   21   15  -11 o   46.436   0.7733  290.185   9.6446  292.439   13.419  287.777   13.871   46.571   1.0728   46.191   1.1181 0.3806610 1.549499 
1 1 1   21   15  -10 o   14.785   1.4663   29.857   5.7461   22.922   7.4738   39.881   8.9859   12.773   2.2613   17.003   2.0063 -4.230240 3.023046 
1 1 1   21   15   -9 o   43.753   0.8221  257.671   9.6606  260.695   12.718  253.546   14.853   43.973   1.0768   43.331   1.2762 0.6413879 1.669814 
1 1 1   21   15   -8 o   11.716   2.0248   19.199   6.1410   21.596   7.6745   14.932   10.239   12.362   2.3980   10.396   3.2803 1.965466 4.063288 
1 1 1   21   15   -7 o   32.375   0.9431  141.175   8.2009  151.565   10.589  125.606   12.963   33.518   1.1763   30.414   1.5924 3.103306 1.979705 
1 1 1   21   15   -6 o   14.262   1.8430   28.065   6.8948   31.462   9.3638   24.042   10.190   14.986   2.4078   12.943   2.9911 2.043004 3.839823 
1 1 1   21   15   -5 o   22.844   1.2642   70.660   7.7265   58.993   10.779   82.987   11.081   20.741   1.9582   24.689   1.6809 -3.948475 2.580696 
1 1 1   21   15   -4 o   29.433   1.1235  116.814   8.8821  120.776   12.713  113.034   12.415   29.825   1.5927   28.847   1.6087 0.9778118 2.263777 
1 1 1   21   15   -3 o   58.390   0.9795  459.280   15.362  445.998   19.036  484.080   26.012   57.488   1.2329   59.786   1.6199 -2.298325 2.035647 
1 1 1   21   15   -2 o   41.327   0.8336  229.875   9.2533  234.846   12.414  223.661   13.880   41.736   1.1075   40.705   1.2696 1.031044 1.684727 
1 1 1   21   15   -1 o   24.534   1.0104   81.099   6.6580   80.539   9.4946   81.641   9.3390   24.363   1.4576   24.536   1.4232 -0.1724777 2.037219 
1 1 1   21   15    0 o   16.774   1.4125   38.292   6.3044   44.242   8.4721   30.909   9.4373   17.974   1.7782   14.844   2.4528 3.130767 3.029515 
1 1 1   21   15    1 o   13.777   1.7348   26.130   6.2773   32.115   8.2197   17.754   9.7233   15.228   2.0628   11.160   3.1215 4.067473 3.741525 
1 1 1   21   15    2 o   34.621   0.8644  161.353   8.0375  161.642   11.011  161.024   11.759   34.615   1.1843   34.538   1.2676 0.7745361E-01 1.734797 
1 1 1   21   15    3 o   33.074   0.8637  147.258   7.6725  144.129   10.801  150.445   10.901   32.680   1.2305   33.391   1.2155 -0.7103767 1.729589 
1 1 1   21   15    4 o   43.607   0.7887  255.892   9.2378  249.841   12.794  262.483   13.352   43.047   1.1066   44.119   1.1268 -1.072395 1.579265 
1 1 1   21   15    5 o   29.504   1.0533  117.323   8.3466  129.556   10.274   93.582   14.313   30.983   1.2346   26.141   2.0552 4.842089 2.397518 
1 1 1   21   15    6 o   43.717   0.8286  257.241   9.7300  252.725   12.914  263.171   14.799   43.293   1.1106   44.155   1.2478 -0.8622780 1.670445 
1 1 1   21   15    7 o   40.957   0.8491  225.815   9.3405  227.000   12.498  224.315   14.058   41.026   1.1342   40.758   1.2842 0.2678261 1.713335 
1 1 1   21   15    8 o   27.930   1.0676  105.164   8.0091  109.765   10.032   97.075   13.301   28.507   1.3102   26.667   1.8688 1.840298 2.282324 
1 1 1   21   15    9 o   33.428   1.1690  150.757   10.496  152.480   13.342  147.959   17.001   33.572   1.4796   32.931   1.9305 0.6407318 2.432328 
1 1 1   21   15   10 o   16.312   2.0566   36.800   8.8104   36.276   13.100   37.233   11.905   15.903   3.1781   16.210   2.8377 -0.3071213 4.260608 
1 1 1   21   15   11 o   21.186   1.3165   60.873   7.4545   57.524   9.0908   67.747   13.024   20.532   1.6627   22.167   2.2173 -1.634209 2.771449 
1 1 1   21   15   12 o   66.583   0.9035  597.093   16.157  610.571   22.737  583.345   22.964   67.239   1.2590   65.711   1.3011 1.528694 1.810513 
1 1 1   21   15   13 o   26.879   1.1526   97.493   8.3212  108.313   11.425   85.270   12.143   28.244   1.5116   24.985   1.8221 3.259068 2.367461 
1 1 1   21   15   14 o   23.639   1.1631   75.420   7.3852   65.953   9.3043   91.540   12.141   22.004   1.5849   25.904   1.7554 -3.900175 2.365056 
1 1 1   21   15   15 o   28.709   0.9858  111.095   7.6019  105.504   10.085  118.453   11.568   27.934   1.3442   29.581   1.4560 -1.647314 1.981618 
1 1 1   21   15   16 o   24.947   1.1225   83.990   7.5213   85.411   9.6034   81.736   12.096   25.080   1.4316   24.440   1.8566 0.6396408 2.344451 
1 1 1   21   15   17 o   30.960   1.1659  129.421   9.6954  124.047   16.834  132.088   11.860   30.060   2.0982   31.237   1.4135 -1.177496 2.529922 
1 1 1   21   15   18 o   6.6362   2.7377   2.0740   7.9023  -4.8240   11.198   8.9172   11.153   6.6443   2.9900   9.0264   3.3917 -2.382098 4.521455 
1 1 1   21   15   19 f   32.267   1.0597  140.499   9.1844  137.272   14.641  142.593   11.794   31.725   1.7247   32.458   1.3528 -0.7332458 2.191920 
1 1 1   21   15   20 o   9.0505   2.6355   11.582   6.7959   1.9774   9.6494   21.034   9.5729   7.1918   3.0008   12.049   2.9756 -4.857593 4.225965 
1 1 1   21   15   21 o   45.013   0.8722  273.064   10.545  263.755   15.555  280.980   14.343   44.141   1.3120   45.596   1.1712 -1.455349 1.758698 
1 1 1   21   15   22 o   17.026   1.7173   39.872   7.7462   30.010   10.768   50.448   11.152   14.429   2.8794   19.034   2.2232 -4.605155 3.637757 
1 1 1   21   15   23 o   31.552   1.0417  134.434   8.8281  141.124   12.346  127.434   12.628   32.250   1.4253   30.582   1.5424 1.668171 2.100070 
1 1 1   21   15   24 o   52.662   0.8720  373.937   12.334  377.205   17.839  370.943   17.071   52.777   1.2584   52.352   1.2140 0.4248657 1.748577 
1 1 1   21   15   25 o   19.144   1.3488   49.945   6.8912   49.118   8.9091   51.177   10.873   18.883   1.7775   19.171   2.1486 -0.2874756 2.788517 
1 1 1   21   15   26 o   8.0660   2.5951   8.9054   6.3847   2.4458   8.2023   18.837   10.171   6.7801   2.7922   11.351   3.1987 -4.571260 4.245948 
1 1 1   21   15   27 o   26.113   1.1500   92.263   8.0656   82.545   11.101  103.130   11.738   24.536   1.6949   27.467   1.5980 -2.931446 2.329448 
1 1 1   21   15   28 o   6.7203   2.7811   2.2017   8.1917   12.657   10.501 -14.0536   13.093   9.7055   3.3342   6.2149   2.9434 3.490609 4.447552 
1 1 1   21   15   29 o   11.531   2.3886   19.080   7.1546   23.577   9.0817   11.721   11.616   12.752   2.7337   9.6434   3.4892 3.108370 4.432584 
1 1 1   21   15   30 o   10.854   2.4234   16.969   6.8860   17.810   8.7219   15.578   11.220   11.045   2.9022   10.514   3.4444 0.5304747 4.504091 
1 1 1   21   15   31 o   16.262   1.5942   36.383   6.8733   40.897   9.1200   30.447   10.457   17.133   2.0208   14.508   2.7848 2.624218 3.440736 
1 1 1   21   15   32 o   8.7129   2.6790   10.718   6.8786   9.4960   8.4806   13.067   11.760   8.5567   2.9931   9.9496   3.5210 -1.392857 4.621253 
1 1 1   21   15   33 o   17.226   1.7760   41.078   8.0994   37.787   10.708   45.478   12.382   16.267   2.5333   17.823   2.6686 -1.555281 3.679560 
1 1 1   21   15   34 o   24.406   1.3373   81.232   8.7327   85.071   11.680   76.364   13.151   24.841   1.7620   23.395   2.1157 1.446335 2.753338 
1 1 1   21   15   35 o   32.478   1.0627  142.881   9.2701  139.293   13.232  146.339   12.991   31.916   1.5436   32.738   1.4774 -0.8218994 2.136675 
1 1 1   21   15   36 o   29.259   1.5742  117.705   12.326  115.126   19.850  119.323   15.724   28.354   2.6367   29.246   2.0140 -0.8926926 3.317940 
1 1 1   21   15   37 o   11.563   3.4096   20.477   11.311   27.291   17.264   15.350   14.973   13.077   4.2720   10.591   3.9396 2.485869 5.811259 
1 1 1   21   15   38 o   41.101   1.5153  232.399   16.728  229.307   26.537  234.438   21.548   39.970   2.4842   40.955   1.9589 -0.9850082 3.163634 
1 1 1   21   15   39 o   13.552   3.4031   29.008   12.370   55.213   19.794   12.218   15.844   18.259   4.1326   9.9501   3.9578 8.308473 5.722107 
1 1 1   21   15   40 o   9.1482   3.8368   7.6344   15.895   0.0000   0.0000   7.6344   15.895  ?   ?    9.1482   3.8368 0.000000 3.836792 
1 1 1   21   15   41 o   11.448   4.1002   21.789   15.994   0.0000   0.0000   21.789   15.994  ?   ?    11.448   4.1002 0.000000 4.100242 
1 1 1   21   15   42 o   10.147   4.4525   10.190   23.301   0.0000   0.0000   10.190   23.301  ?   ?    10.147   4.4525 0.000000 4.452484 
1 1 1   21   16  -37 o   9.4988   4.3079  -1.7920   23.777   0.0000   0.0000  -1.7920   23.777  ?   ?    9.4988   4.3079 0.000000 4.307911 
1 1 1   21   16  -36 o   10.448   4.0355   14.454   16.067   0.0000   0.0000   14.454   16.067  ?   ?    10.448   4.0355 0.000000 4.035509 
1 1 1   21   16  -35 o   23.516   2.1656   78.175   13.524   63.236   19.231   92.793   19.023   20.216   3.6772   25.188   2.8628 -4.971651 4.660173 
1 1 1   21   16  -34 o   28.457   1.7839  112.142   13.566   98.527   18.243  128.984   20.290   26.208   2.6270   30.078   2.5351 -3.869598 3.650728 
1 1 1   21   16  -33 f   25.567   1.4971   89.620   10.236   93.245   14.732   86.238   14.232   25.808   2.1448   24.807   2.1575 1.000740 3.042158 
1 1 1   21   16  -32 o   23.854   1.5732   78.107   10.023   90.163   14.396   66.765   13.963   25.415   2.1285   21.715   2.4360 3.700018 3.234897 
1 1 1   21   16  -31 o   65.759   1.0741  585.300   18.970  570.738   26.838  599.842   26.819   64.666   1.5452   66.321   1.5056 -1.655220 2.157368 
1 1 1   21   16  -30 o   34.009   1.2459  156.898   11.381  155.680   16.320  158.051   15.878   33.644   1.8127   33.928   1.7483 -0.2836494 2.518454 
1 1 1   21   16  -29 o   10.213   3.2319   14.907   9.9340   27.786   17.769   9.0518   11.981   13.556   4.3259   9.1105   3.4937 4.445881 5.560540 
1 1 1   21   16  -28 o   14.728   2.3715   30.811   9.0625   26.779   12.438   35.374   13.232   13.393   3.4396   15.469   3.2861 -2.076164 4.757068 
1 1 1   21   16  -27 o   27.419   1.6901  103.098   12.387  108.198   15.188   92.967   21.405   27.963   2.0361   25.359   3.2149 2.604389 3.805402 
1 1 1   21   16  -26 o   5.5384   2.4118  -0.8403   6.7218  -0.8197   7.0239  -1.0650   23.169   5.6681   2.4669   10.025   4.4181 -4.356633 5.060169 
1 1 1   21   16  -25 o   26.545   1.1079   95.329   7.8988   87.761   10.544  105.010   11.925   25.334   1.5571   27.703   1.6095 -2.369753 2.239408 
1 1 1   21   16  -24 o   28.691   1.0945  111.333   8.4344  105.507   11.376  118.445   12.569   27.797   1.5296   29.436   1.5958 -1.638769 2.210450 
1 1 1   21   16  -23 o   8.2638   2.7467   9.1993   7.1251   5.4511   9.1367   15.016   11.382   7.7101   3.0248   10.394   3.4722 -2.684377 4.604945 
1 1 1   21   16  -22 o   19.309   1.2824   50.751   6.6131   47.119   10.257   53.336   8.6515   18.389   2.1152   19.712   1.6492 -1.323423 2.682148 
1 1 1   21   16  -21 o   26.475   1.2136   94.894   8.6299   91.326   18.354   95.906   9.7782   25.436   2.7292   26.551   1.3759 -1.115559 3.056415 
1 1 1   21   16  -20 o   13.982   1.9467   27.259   7.1122   26.731   10.429   27.719   9.7241   13.560   2.9477   13.885   2.7047 -0.3247709 4.000546 
1 1 1   21   16  -19 o   11.657   2.2674   19.325   6.8437   25.704   10.399   14.452   9.0893   13.293   2.9857   10.082   3.0760 3.210591 4.286727 
1 1 1   21   16  -18 o   10.102   2.5880   14.681   7.0532   8.0155   10.891   19.497   9.2568   8.7365   3.3355   11.585   2.9630 -2.848914 4.461525 
1 1 1   21   16  -17 o   8.7406   2.5547   10.791   6.3751  -3.0205   8.6478   27.232   9.4352   5.9616   2.6592   13.803   2.6412 -7.841660 3.747913 
1 1 1   21   16  -16 o   38.174   0.8269  196.317   8.4790  206.085   11.516  184.754   12.530   39.066   1.0975   36.957   1.2623 2.109589 1.672711 
1 1 1   21   16  -15 o   6.6016   2.3744   5.1136   5.3686   3.4995   6.7301   7.9378   8.9023   6.5595   2.5888   8.2961   3.0465 -1.736545 3.997871 
1 1 1   21   16  -14 o   8.5808   2.4411   10.404   5.8941   11.940   7.0991   6.9965   10.575   9.1963   2.6981   8.4720   3.2735 0.7242937 4.242115 
1 1 1   21   16  -13 o   31.717   0.8824  135.539   7.5172  124.589   9.9488  150.108   11.476   30.364   1.2199   33.318   1.2824 -2.954119 1.769903 
1 1 1   21   16  -12 f   11.429   1.9149   18.267   5.6704   20.409   7.2484   14.888   9.1032   12.001   2.3328   10.256   3.0671 1.744921 3.853446 
1 1 1   21   16  -11 o   17.126   1.3280   39.900   6.0607   41.358   8.1355   38.082   9.0850   17.354   1.7702   16.572   2.0874 0.7817974 2.736975 
1 1 1   21   16  -10 o   24.334   1.0538   79.870   6.8875   75.117   8.8295   87.258   11.007   23.518   1.4042   25.308   1.6280 -1.789400 2.149900 
1 1 1   21   16   -9 o   27.936   0.9364  105.166   7.0265   98.517   9.6660  112.616   10.232   26.992   1.3333   28.861   1.3200 -1.868866 1.876156 
1 1 1   21   16   -8 o   25.911   0.9812   90.494   6.8288   91.092   9.5567   89.870   9.7614   25.914   1.3780   25.732   1.4178 0.1822910 1.977142 
1 1 1   21   16   -7 o   32.332   0.9203  140.839   7.9919  137.408   12.073  143.515   10.662   31.867   1.4106   32.599   1.2177 -0.7314873 1.863475 
1 1 1   21   16   -6 o   13.442   1.6684   24.880   5.8939   26.172   8.4802   23.673   8.1975   13.624   2.4054   12.931   2.4499 0.6925993 3.433327 
1 1 1   21   16   -5 o   30.145   1.0252  122.516   8.3012  115.730   13.868  126.305   10.363   29.132   1.7809   30.577   1.2618 -1.445326 2.182619 
1 1 1   21   16   -4 o   29.809   0.9597  119.739   7.6838  112.697   11.466  125.480   10.352   28.814   1.4867   30.477   1.2646 -1.663746 1.951768 
1 1 1   21   16   -3 o   12.072   1.9521   20.327   6.1133   31.830   9.1604   11.090   8.2086   15.078   2.3376   9.0643   2.9451 6.013990 3.759996 
1 1 1   21   16   -2 o   17.762   1.3205   42.870   6.2546   43.945   8.7538   41.748   8.9399   17.886   1.8488   17.408   1.9453 0.4784546 2.683732 
1 1 1   21   16   -1 o   43.529   0.8423  255.115   9.8480  251.683   14.825  257.827   13.175   43.162   1.2788   43.716   1.1221 -0.5534592 1.701269 
1 1 1   21   16    0 o   26.913   0.9675   97.605   6.9937  103.245   10.116   92.442   9.6793   27.634   1.3630   26.109   1.3852 1.524372 1.943325 
1 1 1   21   16    1 o   19.029   1.3240   49.173   6.7249   47.344   9.0725   51.403   10.019   18.573   1.8430   19.335   1.9561 -0.7619324 2.687525 
1 1 1   21   16    2 o   25.174   1.1088   85.492   7.4974   91.176   9.7783   77.384   11.679   25.924   1.4096   23.789   1.8422 2.135809 2.319630 
1 1 1   21   16    3 o   17.232   1.5141   40.516   6.9369   43.614   8.6863   35.061   11.526   17.819   1.8415   15.706   2.8366 2.113238 3.381910 
1 1 1   21   16    4 o   12.071   2.0462   20.395   6.3972   21.260   8.2550   19.093   10.122   12.211   2.5969   11.527   3.1703 0.6843128 4.098086 
1 1 1   21   16    5 o   13.916   1.6703   26.641   6.1184   25.102   8.5338   28.269   8.7767   13.320   2.4764   14.177   2.3899 -0.8567419 3.441544 
1 1 1   21   16    6 o   60.353   0.9218  490.733   14.942  474.913   22.078  504.103   20.297   59.254   1.3873   61.093   1.2369 -1.838646 1.858613 
1 1 1   21   16    7 o   43.501   0.8577  254.845   10.022  243.390   14.755  264.655   13.654   42.437   1.2945   44.282   1.1480 -1.844864 1.730223 
1 1 1   21   16    8 o   12.200   2.0443   20.831   6.4617   33.083   8.9151   7.2712   9.3790   15.402   2.2190   8.2652   3.1094 7.137151 3.819988 
1 1 1   21   16    9 o   9.1899   2.4998   11.998   6.3340   13.878   9.1153   10.242   8.8078   9.9726   3.0869   8.9060   3.0540 1.066608 4.342319 
1 1 1   21   16   10 o   15.139   1.5435   31.379   6.1884   37.112   8.3695   24.465   9.1918   16.394   1.9383   13.084   2.7049 3.309918 3.327706 
1 1 1   21   16   11 o   4.2338   1.9888  -5.9595   5.7605  -4.2473   7.6811  -8.1603   8.7084   5.3896   2.4459   5.2843   2.4704 0.1053700 3.476431 
1 1 1   21   16   12 f   50.024   0.8067  336.958   10.839  351.852   15.180  321.464   15.483   51.058   1.1069   48.786   1.1816 2.271542 1.619082 
1 1 1   21   16   13 o   10.852   2.3295   16.765   6.5871   19.102   9.0900   14.181   9.5589   11.504   2.9329   10.084   3.1677 1.420094 4.316947 
1 1 1   21   16   14 o   13.293   1.8553   24.524   6.4437   30.860   8.7488   17.011   9.5262   14.838   2.2673   10.885   3.1057 3.952528 3.845258 
1 1 1   21   16   15 o   5.9404   2.4149   2.0759   6.0367   6.9861   7.7042  -5.7334   9.7160   7.7705   2.8370   5.9835   2.7291 1.786991 3.936551 
1 1 1   21   16   16 o   5.5888   2.4011  -0.2266   6.4860  -3.9967   7.8585   7.8286   11.487   5.4941   2.4855   8.8461   3.4135 -3.351951 4.222521 
1 1 1   21   16   17 o   27.740   1.1363  103.973   8.4665  105.257   10.208  101.142   15.156   27.874   1.3635   27.087   2.0996 0.7871552 2.503484 
1 1 1   21   16   18 o   14.259   1.8754   28.223   7.0080   23.403   9.6930   33.503   10.144   12.704   2.9040   15.368   2.5468 -2.663823 3.862536 
1 1 1   21   16   19 o   28.011   1.2009  106.146   9.0351  111.985   14.208  102.181   11.707   28.568   1.8618   27.361   1.6000 1.207132 2.454879 
1 1 1   21   16   20 o   40.488   0.9363  221.175   10.182  223.556   15.656  219.430   13.405   40.579   1.4364   40.258   1.2397 0.3206902 1.897378 
1 1 1   21   16   21 o   18.147   1.5647   45.137   7.5519   46.601   10.489   43.561   10.882   18.272   2.1803   17.601   2.3613 0.6712132 3.213957 
1 1 1   21   16   22 o   29.081   1.1008  114.355   8.5985  101.702   11.723  129.087   12.650   27.275   1.6073   30.801   1.5291 -3.525324 2.218481 
1 1 1   21   16   23 o   8.2197   2.6570   9.2581   6.6870   15.116   9.2550   2.8600   9.6726   10.253   3.0985   7.3227   3.0256 2.930561 4.330695 
1 1 1   21   16   24 o   13.241   2.1517   24.757   7.3900   14.651   10.789   33.690   10.143   10.238   3.3788   15.366   2.5469 -5.128248 4.231169 
1 1 1   21   16   25 o   34.296   1.0088  158.923   9.2927  150.810   13.870  165.532   12.518   33.271   1.5521   34.922   1.3346 -1.651146 2.046951 
1 1 1   21   16   26 o   13.728   2.1069   26.541   7.5208   38.364   9.8968   10.381   11.570   16.497   2.2958   9.3249   3.4642 7.172028 4.155872 
1 1 1   21   16   27 o   15.677   1.8299   34.108   7.5605   32.842   8.9899   37.166   13.974   15.252   2.2632   15.828   3.3892 -0.5765162 4.075404 
1 1 1   21   16   28 o   13.084   1.9460   24.000   6.6305   29.292   8.6762   16.569   10.280   14.366   2.3282   10.695   3.2729 3.671326 4.016570 
1 1 1   21   16   29 o   27.889   1.0976  105.247   8.2217  101.580   10.196  112.063   13.901   27.302   1.3951   28.536   1.8232 -1.234148 2.295772 
1 1 1   21   16   30 o   31.395   1.1818  133.570   9.9654  142.841   14.498  125.266   13.720   32.278   1.6781   30.214   1.6975 2.063574 2.386989 
1 1 1   21   16   31 o   13.680   2.0208   26.336   7.2015   28.444   8.8055   22.077   12.515   14.101   2.4116   12.146   3.5877 1.954859 4.322913 
1 1 1   21   16   32 o   7.0559   2.5983   5.7967   6.4824   0.8946   8.2591   13.662   10.461   6.4421   2.7370   9.8791   3.3286 -3.436999 4.309393 
1 1 1   21   16   33 f   20.882   1.4338   59.775   7.9931   81.297   11.449   39.308   11.164   24.247   1.7702   16.505   2.6048 7.742016 3.149387 
1 1 1   21   16   34 o   20.172   1.6865   56.347   9.0535   64.256   13.891   50.507   11.937   21.194   2.4876   18.792   2.4213 2.401213 3.471405 
1 1 1   21   16   35 o   11.823   3.3939   21.491   11.343   28.065   17.208   16.441   15.083   13.222   4.2611   10.802   3.9656 2.419702 5.820891 
1 1 1   21   16   36 o   11.929   3.3818   22.147   11.332   16.220   16.831   27.061   15.327   10.835   4.1443   12.942   4.0022 -2.107250 5.761308 
1 1 1   21   16   37 o   13.354   3.7538   28.947   14.025   43.860   45.806   27.404   14.732   14.971   6.4051   12.937   3.9093 2.034289 7.503802 
1 1 1   21   16   38 o   36.247   2.3137  189.507   22.408   0.0000   0.0000  189.507   22.408  ?   ?    36.247   2.3137 0.000000 2.313704 
1 1 1   21   16   39 o   26.446   2.7258  104.842   19.084   0.0000   0.0000  104.842   19.084  ?   ?    26.446   2.7258 0.000000 2.725778 
1 1 1   21   16   40 f   22.373   4.4728   89.910   25.939   0.0000   0.0000   89.910   25.939  ?   ?    22.373   4.4728 0.000000 4.472793 
1 1 1   21   17  -35 o   25.310   3.3076   98.430   21.947   0.0000   0.0000   98.430   21.947  ?   ?    25.310   3.3076 0.000000 3.307585 
1 1 1   21   17  -34 o   10.367   3.9142   14.850   14.893   10.990   30.566   16.051   17.054   11.625   5.1005   10.799   4.1613 0.8267660 6.582659 
1 1 1   21   17  -33 o   27.174   1.9548  103.412   14.172  109.811   20.376   97.416   19.725   27.431   2.8051   25.752   2.9023 1.678104 4.036347 
1 1 1   21   17  -32 o   28.776   1.5402  113.880   11.861  114.968   19.254  113.215   15.057   28.342   2.5568   28.475   1.9811 -0.1325321 3.234459 
1 1 1   21   17  -31 o   19.981   1.8616   55.580   9.8759   58.533   13.739   52.423   14.206   20.188   2.5938   18.949   2.8820 1.238520 3.877323 
1 1 1   21   17  -30 o   28.845   1.3751  113.354   10.654   93.553   14.724  135.112   15.434   25.865   2.1386   31.263   1.8463 -5.397602 2.825336 
1 1 1   21   17  -29 o   22.602   1.6492   70.299   9.9426   74.232   14.453   66.765   13.699   22.939   2.3805   21.742   2.3851 1.197338 3.369759 
1 1 1   21   17  -28 o   14.354   2.7613   29.958   10.259   33.583   16.584   27.710   13.058   14.740   4.0597   13.542   3.5475 1.197567 5.391286 
1 1 1   21   17  -27 o   16.712   1.7174   38.617   7.5992   37.871   9.3016   40.114   13.178   16.412   2.1628   16.548   3.0781 -0.1363468 3.761961 
1 1 1   21   17  -26 o   7.8880   2.7141   8.1418   6.9595   5.9704   8.8780   11.603   11.209   7.7383   2.9967   9.5165   3.4300 -1.778257 4.554663 
1 1 1   21   17  -25 o   42.254   1.0108  241.342   11.472  244.897   14.786  235.965   18.184   42.475   1.2960   41.565   1.6288 0.9100838 2.081548 
1 1 1   21   17  -24 o   35.138   1.3990  167.895   13.204  167.895   13.204   0.0000   0.0000   35.138   1.3990  ?   ?  0.000000 1.399026 
1 1 1   21   17  -23 o   12.758   2.0976   23.004   6.9379   18.954   9.9181   26.885   9.7087   11.345   3.1454   13.608   2.7509 -2.262754 4.178621 
1 1 1   21   17  -22 o   15.065   1.8550   31.573   7.3473   28.615   12.872   33.002   8.9483   13.826   3.4713   15.289   2.2459 -1.463638 4.134535 
1 1 1   21   17  -21 o   4.9011   2.2319  -3.7295   6.4656 -11.1041   9.0007   4.1335   9.2940   5.0349   2.4004   7.4554   3.0085 -2.420444 3.848812 
1 1 1   21   17  -20 o   23.865   1.2021   77.347   7.6808   64.902   10.865   89.781   10.860   21.674   1.8850   25.614   1.5864 -3.939785 2.463712 
1 1 1   21   17  -19 o   40.934   0.8957  226.090   9.8476  215.123   14.182  236.303   13.685   39.816   1.3261   41.763   1.2200 -1.947151 1.801904 
1 1 1   21   17  -18 o   39.906   0.9792  215.051   10.495  229.727   17.137  206.242   13.277   41.074   1.5533   39.007   1.2672 2.066124 2.004672 
1 1 1   21   17  -17 o   17.445   1.5295   41.714   7.0944   42.497   10.248   40.994   9.8309   17.413   2.2434   17.115   2.1887 0.2979527 3.134243 
1 1 1   21   17  -16 o   30.732   0.9651  127.483   7.9661  118.685   10.815  137.919   11.778   29.579   1.3613   31.882   1.3754 -2.303556 1.935176 
1 1 1   21   17  -15 o   35.840   0.8586  173.173   8.2649  172.578   11.136  173.904   12.332   35.721   1.1607   35.830   1.2814 -0.1091881 1.728954 
1 1 1   21   17  -14 o   45.269   0.8429  276.211   10.249  276.180   13.496  276.253   15.752   45.206   1.1115   45.160   1.2986 0.4582596E-01 1.709371 
1 1 1   21   17  -13 o   36.728   0.9365  181.946   9.2379  176.136   11.366  193.255   15.858   36.092   1.1724   37.705   1.5658 -1.612949 1.956123 
1 1 1   21   17  -12 o   23.874   1.1444   77.030   7.3385   82.433   9.2566   67.889   12.040   24.619   1.4057   22.172   2.0449 2.446934 2.481427 
1 1 1   21   17  -11 o   37.858   0.8438  193.131   8.5804  195.165   11.649  190.718   12.687   38.004   1.1412   37.544   1.2581 0.4602585 1.698557 
1 1 1   21   17  -10 o   23.965   1.0519   77.526   6.7707   76.144   9.1234   79.221   10.101   23.655   1.4429   24.101   1.5690 -0.4465408 2.131596 
1 1 1   21   17   -9 o   5.9574   2.4425   1.8300   6.2421  -1.8606   8.9822   5.2771   8.6808   6.2790   2.7596   7.5888   2.9564 -1.309788 4.044254 
1 1 1   21   17   -8 o   37.619   0.8406  190.652   8.4935  207.074   11.974  174.022   12.050   39.154   1.1386   35.872   1.2506 3.281910 1.691303 
1 1 1   21   17   -7 o   25.508   1.0901   87.839   7.4688   99.632   11.520   79.288   9.8095   27.041   1.5932   24.129   1.5214 2.912252 2.202977 
1 1 1   21   17   -6 o   39.112   0.8805  206.131   9.2495  209.759   13.994  203.317   12.326   39.371   1.3233   38.791   1.1830 0.5797691 1.775031 
1 1 1   21   17   -5 o   60.517   0.7935  493.172   12.898  500.692   18.338  485.811   18.145   60.894   1.1212   59.981   1.1263 0.9132500 1.589239 
1 1 1   21   17   -4 o   27.403   1.0238  101.298   7.5350  104.902   11.624   98.686   9.8957   27.760   1.5653   26.966   1.3708 0.7948589 2.080730 
1 1 1   21   17   -3 o   25.133   1.0778   85.250   7.2754   83.769   11.125   86.356   9.6169   24.771   1.6820   25.210   1.4261 -0.4383907 2.205246 
1 1 1   21   17   -2 o   8.4064   2.4917   9.8966   6.0277   12.853   8.9026   7.3945   8.1906   9.6403   3.0605   8.0004   2.9245 1.639904 4.233141 
1 1 1   21   17   -1 o   31.075   0.9027  130.129   7.5339  132.818   10.903  127.671   10.423   31.337   1.2953   30.729   1.2628 0.6078300 1.809005 
1 1 1   21   17    0 o   27.542   0.9880  102.291   7.3089  111.222   10.362   93.449   10.311   28.669   1.3457   26.219   1.4701 2.449518 1.992987 
1 1 1   21   17    1 o   18.048   1.4124   44.374   6.7917   42.420   9.9471   46.081   9.2958   17.475   2.1657   18.286   1.9214 -0.8107796 2.895191 
1 1 1   21   17    2 o   13.309   2.2970   24.964   7.9141   13.984   10.537   39.177   11.988   10.131   3.3389   16.605   2.7866 -6.474332 4.348910 
1 1 1   21   17    3 o   11.179   2.3005   17.759   6.6774   21.038   8.8445   13.414   10.183   12.089   2.7817   9.9388   3.2827 2.150105 4.302757 
1 1 1   21   17    4 o   10.084   2.4458   14.548   6.5562   26.511   9.8410   5.0010   8.7912   13.595   2.7886   7.5641   2.9672 6.031036 4.071938 
1 1 1   21   17    5 o   13.266   1.8099   24.390   6.2804   27.149   8.9017   21.655   8.8622   13.840   2.4861   12.269   2.7565 1.570350 3.712026 
1 1 1   21   17    6 o   37.952   0.8709  194.071   8.8779  199.782   13.077  189.187   12.092   38.435   1.2667   37.415   1.2032 1.020390 1.747074 
1 1 1   21   17    7 o   41.066   0.8744  227.245   9.6445  229.370   14.250  225.449   13.101   41.177   1.2885   40.844   1.1942 0.3324928 1.756789 
1 1 1   21   17    8 o   32.472   0.9093  142.126   7.9308  151.230   11.049  132.449   11.391   33.444   1.2300   31.276   1.3560 2.168173 1.830728 
1 1 1   21   17    9 o   45.534   0.8131  279.283   9.9449  277.042   13.786  281.716   14.360   45.287   1.1334   45.659   1.1710 -0.3715172 1.629615 
1 1 1   21   17   10 o   15.577   1.5621   33.272   6.4474   29.627   8.6381   37.858   9.6880   14.513   2.2921   16.456   2.2509 -1.943012 3.212456 
1 1 1   21   17   11 o   9.2075   2.4629   12.118   6.2099   12.707   8.2902   11.365   9.3733   9.5181   2.9435   9.2643   3.1507 0.2537689 4.311702 
1 1 1   21   17   12 o   8.3000   2.5342   9.6036   6.1674   5.0095   8.1290   15.835   9.4673   7.3604   2.8627   10.516   3.1240 -3.155303 4.237283 
1 1 1   21   17   13 o   27.078   1.1032   99.062   8.0231  104.644   11.530   93.822   11.172   27.706   1.5557   26.220   1.5939 1.486111 2.227239 
1 1 1   21   17   14 o   8.3344   2.5851   9.6534   6.3888   16.833   8.4317  -0.0260   9.7900   10.780   2.8636   6.8559   2.9478 3.923746 4.109765 
1 1 1   21   17   15 o   35.312   1.0855  168.503   10.295  178.045   12.337  146.615   18.685   36.257   1.2668   32.580   2.1472 3.676933 2.493079 
1 1 1   21   17   16 o   17.674   1.4372   42.694   6.7635   37.087   8.8152   50.717   10.546   16.311   2.0580   19.101   2.0896 -2.790529 2.932873 
1 1 1   21   17   17 o   5.8303   2.4307   1.2446   6.3239   1.0916   8.0893   1.4851   10.141   6.4620   2.7250   7.2172   3.0477 -0.7551765 4.088338 
1 1 1   21   17   18 o   15.047   2.1996   31.852   8.6270   37.589   12.465   26.578   11.952   16.095   2.9937   13.392   3.3354 2.702742 4.481833 
1 1 1   21   17   19 o   18.389   1.7868   46.681   8.7136   42.788   14.731   48.776   10.807   17.048   3.3364   18.675   2.1965 -1.627098 3.994508 
1 1 1   21   17   20 o   18.700   1.6200   48.050   8.0566   49.769   11.519   46.403   11.272   18.815   2.3292   18.145   2.3695 0.6702881 3.322630 
1 1 1   21   17   21 o   23.496   1.3200   75.166   8.2967   64.656   11.281   87.546   12.244   21.603   1.9658   25.214   1.8203 -3.611092 2.679160 
1 1 1   21   17   22 o   6.1093   2.5164   1.9275   6.6636 -11.7640   8.9854   18.659   9.9331   4.9596   2.3738   11.265   3.1566 -6.305011 3.949508 
1 1 1   21   17   23 o   20.969   1.3615   59.985   7.6265   56.462   10.547   63.845   11.041   20.168   1.9723   21.469   1.9355 -1.301254 2.763358 
1 1 1   21   17   24 o   28.154   1.1633  107.372   8.7970  106.804   11.968  108.041   12.975   27.928   1.6021   28.045   1.7309 -0.1169872 2.358557 
1 1 1   21   17   25 o   40.606   0.9735  222.777   10.617  220.804   14.540  225.031   15.539   40.315   1.3428   40.671   1.4225 -0.3556862 1.956136 
1 1 1   21   17   26 o   29.595   1.1204  118.585   8.9063  116.246   11.814  121.662   13.555   29.168   1.5133   29.774   1.7020 -0.6065292 2.277479 
1 1 1   21   17   27 o   18.879   1.5764   48.976   7.9203   59.637   10.157   32.436   12.652   20.765   1.8402   14.770   3.2750 5.994912 3.756582 
1 1 1   21   17   28 o   10.160   2.8221   15.078   7.9763   19.893   10.666   8.9681   12.015   11.574   3.2807   9.0678   3.4932 2.506171 4.792254 
1 1 1   21   17   29 o   26.053   1.1296   91.992   7.9041  100.893   10.382   79.719   12.191   27.175   1.4274   23.981   1.9084 3.193203 2.383203 
1 1 1   21   17   30 o   35.822   0.9347  173.484   8.9930  185.550   12.077  158.465   13.474   36.962   1.2165   34.069   1.4724 2.892715 1.909928 
1 1 1   21   17   31 o   20.467   1.5084   57.601   8.2336   69.147   11.423   45.117   11.878   22.277   1.9282   17.699   2.5741 4.577974 3.216218 
1 1 1   21   17   32 o   13.870   2.4327   27.873   8.7318   18.148   13.137   35.571   11.687   11.062   3.7301   15.489   2.9162 -4.426957 4.734750 
1 1 1   21   17   33 o   21.282   1.8840   63.413   10.658   64.822   17.655   62.605   13.369   20.712   3.2831   20.870   2.4305 -0.1576252 4.084895 
1 1 1   21   17   34 o   19.220   2.3993   53.396   12.116   52.168   17.686   54.481   16.631   18.121   3.7570   18.770   3.4252 -0.6486702 5.083952 
1 1 1   21   17   35 o   15.398   3.5498   37.820   14.381   24.110   34.478   40.708   15.823   12.907   5.5404   15.833   3.7741 -2.925371 6.703725 
1 1 1   21   17   36 o   13.805   4.2046   32.880   16.993   0.0000   0.0000   32.880   16.993  ?   ?    13.805   4.2046 0.000000 4.204585 
1 1 1   21   17   37 o   10.876   4.2473   18.276   17.950   0.0000   0.0000   18.276   17.950  ?   ?    10.876   4.2473 0.000000 4.247332 
1 1 1   21   17   38 o   6.9649   3.4194 -30.4500   22.018   0.0000   0.0000 -30.4500   22.018  ?   ?    6.9649   3.4194 0.000000 3.419393 
1 1 1   21   18  -33 o   24.817   2.8128   91.812   18.418   86.980   34.807   93.691   21.705   20.620   5.9529   24.559   3.3801 -3.938610 6.845611 
1 1 1   21   18  -32 o   22.166   2.8316   72.915   16.473   66.470   34.910   74.761   18.684   17.983   6.0806   22.141   3.2375 -4.157785 6.888722 
1 1 1   21   18  -31 o   26.820   1.6848   99.840   12.075   99.365   20.022  100.112   15.138   25.938   2.9250   26.598   2.1371 -0.6592159 3.622498 
1 1 1   21   18  -30 o   17.066   2.4786   42.103   11.029   54.468   18.440   35.215   13.762   18.646   3.8107   15.097   3.4671 3.549554 5.151871 
1 1 1   21   18  -29 o   20.932   1.7855   60.891   9.9423   55.567   14.337   65.824   13.799   19.514   2.8170   21.470   2.4361 -1.956232 3.724202 
1 1 1   21   18  -28 o   20.755   1.7811   59.753   9.8330   57.220   14.264   62.047   13.574   19.887   2.7435   20.856   2.4711 -0.9695320 3.692312 
1 1 1   21   18  -27 o   6.6515   2.5602   4.4492   6.4494   4.2559   8.6047   4.6969   9.7427   7.2362   2.9037   7.6421   3.0816 -0.4059181 4.234078 
1 1 1   21   18  -26 o   20.417   1.5736   57.319   8.5629   48.059   12.792   64.837   11.526   18.276   2.6860   21.568   2.0129 -3.292065 3.356577 
1 1 1   21   18  -25 o   21.968   1.5372   66.197   9.0131   61.951   11.832   72.066   13.912   21.049   2.1218   22.633   2.3213 -1.583633 3.144974 
1 1 1   21   18  -24 o   60.043   1.0038  487.525   16.188  491.396   24.350  484.460   21.671   60.020   1.5105   59.687   1.3518 0.3329620 2.027017 
1 1 1   21   18  -23 o   4.8672   2.2467  -5.0428   6.8593 -15.1132   9.2960   6.9937   10.163   4.7612   2.3120   8.2674   3.2050 -3.506277 3.951825 
1 1 1   21   18  -22 o   5.6686   2.5233  -2.3761   7.7440  -0.6446   9.7421  -5.3480   12.763   6.6884   2.9080   6.9958   3.1660 -0.3073835 4.298867 
1 1 1   21   18  -21 o   19.830   1.6009   54.047   8.4540   62.049   10.846   41.656   13.496   21.150   1.9304   16.858   3.0947 4.292540 3.647392 
1 1 1   21   18  -20 o   23.682   1.3128   76.409   8.3178   85.780   11.259   65.153   12.341   24.983   1.6878   21.597   2.1563 3.386793 2.738358 
1 1 1   21   18  -19 o   12.552   2.2019   22.411   7.1526   33.233   9.9701   10.935   10.267   15.236   2.5246   9.2059   3.2864 6.030548 4.144211 
1 1 1   21   18  -18 o   34.858   0.8999  164.044   8.4256  167.775   11.197  159.174   12.793   35.185   1.1848   34.212   1.3922 0.9728241 1.828149 
1 1 1   21   18  -17 o   29.908   0.9701  120.855   7.7928  118.459   10.202  124.212   12.075   29.543   1.2856   30.198   1.4888 -0.6547279 1.967054 
1 1 1   21   18  -16 o   39.756   0.9059  213.369   9.6738  217.684   13.626  208.983   13.737   40.058   1.2664   39.237   1.3034 0.8203773 1.817360 
1 1 1   21   18  -15 o   28.211   1.0548  107.617   7.9922  107.033   10.486  108.425   12.346   28.063   1.3911   28.134   1.6410 -0.7126808E-01 2.151288 
1 1 1   21   18  -14 o   24.041   1.1246   78.217   7.2618   73.037   9.5538   85.304   11.175   23.103   1.5486   24.936   1.6783 -1.833731 2.283596 
1 1 1   21   18  -13 o   27.735   1.1158  104.073   8.3118  104.900   11.180  103.050   12.428   27.722   1.5072   27.416   1.6960 0.3052006 2.268969 
1 1 1   21   18  -12 f   38.745   0.9868  202.751   10.269  202.710   13.784  202.802   15.393   38.653   1.3277   38.612   1.4843 0.4038239E-01 1.991472 
1 1 1   21   18  -11 f   13.142   2.3230   24.551   7.8995   32.845   10.672   14.501   11.748   15.115   2.7292   10.313   3.5272 4.801650 4.459781 
1 1 1   21   18  -10 o   9.4472   2.3974   12.837   6.0932   5.6120   8.1488   22.001   9.1767   7.4897   2.8791   12.296   2.8365 -4.806125 4.041645 
1 1 1   21   18   -9 o   21.076   1.1958   60.310   6.7414   51.823   9.1661   70.309   9.9497   19.399   1.7790   22.656   1.6463 -3.256804 2.423877 
1 1 1   21   18   -8 o   21.800   1.2610   64.580   7.3518   66.462   10.736   62.919   10.089   21.975   1.8357   21.395   1.7715 0.5798016 2.551068 
1 1 1   21   18   -7 o   19.948   1.2474   54.083   6.6499   53.589   9.3255   54.594   9.4853   19.735   1.7784   19.917   1.7923 -0.1819382 2.524885 
1 1 1   21   18   -6 o   32.926   0.9092  146.223   8.0410  146.033   11.237  146.421   11.511   32.837   1.2741   32.874   1.3037 -0.3709793E-01 1.822894 
1 1 1   21   18   -5 o   25.539   1.0452   88.089   7.1700   87.596   10.058   88.598   10.223   25.354   1.4835   25.495   1.4996 -0.1410370 2.109397 
1 1 1   21   18   -4 o   26.087   1.0186   91.880   7.1375   92.233   10.195   91.541   9.9959   26.024   1.4645   25.932   1.4408 0.9248352E-01 2.054409 
1 1 1   21   18   -3 o   21.432   1.2471   62.381   7.1479   50.688   10.645   71.981   9.6457   19.105   2.1097   22.955   1.5739 -3.850531 2.632145 
1 1 1   21   18   -2 o   32.766   0.9508  144.841   8.3681  144.265   12.703  145.283   11.122   32.603   1.4507   32.759   1.2641 -0.1564369 1.924151 
1 1 1   21   18   -1 o   11.735   2.4727   19.730   7.5477   21.540   11.019   18.130   10.360   12.130   3.2962   11.189   3.2527 0.9414215 4.630864 
1 1 1   21   18    0 o   52.167   0.8909  366.939   12.483  374.086   17.518  359.565   17.794   52.575   1.2405   51.530   1.2856 1.045170 1.786538 
1 1 1   21   18    1 o   28.042   1.0120  106.152   7.6224  117.757   10.726   94.311   10.834   29.476   1.3548   26.300   1.5404 3.175621 2.051461 
1 1 1   21   18    2 o   26.053   1.0612   91.670   7.4261   81.376   10.332  102.670   10.681   24.412   1.5843   27.466   1.4530 -3.054129 2.149695 
1 1 1   21   18    3 o   21.277   1.3200   61.566   7.5065   61.606   10.333   61.521   10.924   21.162   1.8360   21.116   1.9480 0.4590607E-01 2.676862 
1 1 1   21   18    4 o   20.007   1.7288   54.963   9.1989   47.793   11.898   65.615   14.503   18.433   2.4650   21.614   2.5472 -3.181118 3.544632 
1 1 1   21   18    5 o   53.705   0.8818  388.889   12.720  399.548   18.390  379.111   17.613   54.322   1.2604   52.922   1.2391 1.400356 1.767500 
1 1 1   21   18    6 o   22.186   1.1912   66.779   7.0725   71.733   9.9190   61.656   10.087   22.899   1.6232   21.178   1.7901 1.720840 2.416467 
1 1 1   21   18    7 o   27.447   1.0180  101.725   7.5050  100.418   10.456  103.115   10.779   27.160   1.4384   27.516   1.4638 -0.3566036 2.052224 
1 1 1   21   18    8 o   19.347   1.3103   50.957   6.7687   58.432   9.2922   42.507   9.8796   20.635   1.6915   17.453   2.1532 3.181932 2.738134 
1 1 1   21   18    9 o   9.0279   2.4965   11.671   6.2566   17.918   8.4516   4.0977   9.3064   11.101   2.8269   7.4750   3.0126 3.626106 4.131269 
1 1 1   21   18   10 o   31.173   0.9515  131.164   7.9666  138.568   11.041  123.124   11.506   31.974   1.2857   30.109   1.4228 1.865395 1.917619 
1 1 1   21   18   11 f   42.756   0.8441  246.499   9.6937  253.802   13.420  238.530   14.018   43.308   1.1537   41.959   1.2438 1.348930 1.696484 
1 1 1   21   18   12 f   14.723   1.6937   29.965   6.5754   27.929   8.8164   32.518   9.8706   13.999   2.4331   15.101   2.5225 -1.102430 3.504700 
1 1 1   21   18   13 o   24.364   1.4029   80.913   9.1418   78.299   12.272   84.173   13.703   23.808   1.9359   24.634   2.0908 -0.8265152 2.849387 
1 1 1   21   18   14 o   23.288   1.2595   73.747   7.8492   74.437   10.907   73.006   11.304   23.262   1.7587   23.009   1.8447 0.2534447 2.548709 
1 1 1   21   18   15 o   34.806   0.9907  163.690   9.2619  151.841   13.141  175.384   13.056   33.403   1.4647   35.934   1.3527 -2.531033 1.993794 
1 1 1   21   18   16 o   13.437   2.0719   25.434   7.2370   20.645   9.1432   33.466   11.842   11.863   2.8951   15.123   3.0210 -3.259950 4.184265 
1 1 1   21   18   17 o   9.7325   2.7165   13.729   7.3719   10.215   10.210   17.557   10.655   9.0297   3.2706   10.963   3.3273 -1.933460 4.665579 
1 1 1   21   18   18 o   18.119   1.6535   45.224   7.9582   41.708   11.203   48.805   11.307   17.116   2.5117   18.615   2.3111 -1.498898 3.413207 
1 1 1   21   18   19 o   19.478   1.4308   51.908   7.4334   49.481   9.6779   55.398   11.608   18.871   1.9368   19.881   2.2113 -1.010370 2.939590 
1 1 1   21   18   20 o   14.546   1.8230   29.464   6.9658   28.611   8.7106   30.978   11.602   14.162   2.3740   14.498   3.0747 -0.3361826 3.884546 
1 1 1   21   18   21 o   31.339   1.1144  132.998   9.3806  113.409   12.266  160.594   14.559   28.773   1.5934   34.294   1.5806 -5.520521 2.244351 
1 1 1   21   18   22 o   18.086   1.6818   45.128   8.0765   57.382   10.437   26.839   12.751   20.331   1.9346   13.350   3.5097 6.981405 4.007561 
1 1 1   21   18   23 o   15.111   2.0460   32.053   8.0904   37.722   10.182   22.342   13.326   16.292   2.3985   12.223   3.7236 4.069216 4.429193 
1 1 1   21   18   24 o   28.456   1.3574  110.126   10.375  110.121   12.137  110.141   19.992   28.343   1.6008   27.831   2.7088 0.5122795 3.146440 
1 1 1   21   18   25 o   14.512   1.8746   29.425   7.1359   30.874   9.6790   27.699   10.562   14.644   2.5538   13.712   2.9550 0.9317083 3.905591 
1 1 1   21   18   26 o   27.567   1.2524  103.232   9.2732   64.051   14.615  129.633   11.997   21.172   2.6265   30.832   1.4487 -9.659529 2.999556 
1 1 1   21   18   27 o   39.533   0.9740  211.420   10.342  221.032   15.167  203.066   14.139   40.265   1.4024   38.610   1.3635 1.655190 1.955970 
1 1 1   21   18   28 o   4.8150   2.2141  -4.4092   6.5711  -9.4944   8.3791   3.7143   10.590   4.9283   2.3400   7.6583   3.1652 -2.729997 3.936251 
1 1 1   21   18   29 o   21.855   1.4669   65.638   8.5611   61.363   11.775   70.433   12.470   20.868   2.1306   22.385   2.0985 -1.516930 2.990556 
1 1 1   21   18   30 o   23.963   1.5930   79.311   10.195   74.796   14.589   83.619   14.251   22.867   2.4118   24.307   2.2069 -1.440283 3.269145 
1 1 1   21   18   31 o   12.109   2.9608   22.269   9.5494   28.335   13.816   16.720   13.214   13.344   3.7169   10.636   3.7353 2.707315 5.269539 
1 1 1   21   18   32 o   7.1947   3.2627  -4.1935   13.636   43.140   31.193 -15.3767   15.162   15.081   5.6710   6.5302   3.1139 8.550519 6.469714 
1 1 1   21   18   33 o   16.813   3.3081   44.214   14.407   45.520   31.870   43.878   16.151   15.092   5.7192   16.427   3.7440 -1.335361 6.835718 
1 1 1   21   18   34 o   25.918   2.4718   98.555   16.998   0.0000   0.0000   98.555   16.998  ?   ?    25.918   2.4718 0.000000 2.471789 
1 1 1   21   18   35 o   8.9196   4.1105  -3.3490   22.819   0.0000   0.0000  -3.3490   22.819  ?   ?    8.9196   4.1105 0.000000 4.110494 
1 1 1   21   19  -32 o   10.088   4.7546  -7.0400   33.411   0.0000   0.0000  -7.0400   33.411  ?   ?    10.088   4.7546 0.000000 4.754612 
1 1 1   21   19  -31 o   10.353   4.0666   15.023   16.533   19.880   31.481   13.174   19.428   12.096   5.2434   10.368   4.2862 1.728313 6.772360 
1 1 1   21   19  -30 o   11.505   3.9564   21.148   14.787   14.580   29.814   23.292   17.029   11.666   5.0798   11.970   4.2368 -0.3033905 6.614795 
1 1 1   21   19  -29 o   5.7672   2.6737  -6.6271   9.8688 -12.9830   16.081  -2.7868   12.500   6.9774   3.2916   7.0662   3.1711 -0.8887386E-01 4.570634 
1 1 1   21   19  -28 o   13.805   2.9846   28.824   10.744   54.757   19.716   17.870   12.813   18.391   4.0963   10.881   3.6838 7.510336 5.509059 
1 1 1   21   19  -27 o   24.179   1.7133   81.086   11.055   72.047   17.558   87.022   14.229   22.052   3.0457   24.829   2.1551 -2.776157 3.731035 
1 1 1   21   19  -26 o   6.6111   2.7865   1.6398   8.4517   14.206   13.385  -6.6937   10.900   10.230   3.7387   6.1695   2.8423 4.060521 4.696448 
1 1 1   21   19  -25 f   23.260   1.6911   74.762   10.492   94.150   19.809   67.201   12.370   25.429   2.9554   21.864   2.1337 3.565300 3.645148 
1 1 1   21   19  -24 o   18.413   1.4784   46.609   7.2500   34.676   10.735   56.616   9.8306   15.444   2.6855   20.187   1.8331 -4.743249 3.251476 
1 1 1   21   19  -23 o   27.348   1.2935  101.732   9.5014  101.363   12.491  102.239   14.637   27.115   1.7241   27.100   2.0255 0.1459122E-01 2.659918 
1 1 1   21   19  -22 o   21.523   1.4771   63.503   8.4875   69.960   11.569   55.978   12.490   22.436   1.9389   19.876   2.3873 2.560234 3.075457 
1 1 1   21   19  -21 o   7.1012   2.7123   5.2737   7.2029   6.5004   9.8276   3.8499   10.588   8.0622   3.1443   7.7191   3.1748 0.3431153 4.468352 
1 1 1   21   19  -20 o   22.339   1.3546   68.138   8.0893   73.257   11.646   63.365   11.245   22.987   1.9033   21.339   1.9847 1.648142 2.749835 
1 1 1   21   19  -19 o   7.6886   2.5810   7.9315   6.2894   5.3801   7.9096   12.319   10.372   7.3244   2.8308   9.5386   3.3115 -2.214218 4.356552 
1 1 1   21   19  -18 o   7.3585   2.6366   6.6857   6.6140   13.029   7.9975  -7.0410   11.765   9.5074   2.8819   6.4674   2.9697 3.040032 4.138197 
1 1 1   21   19  -17 o   22.072   1.3323   66.473   7.8611   74.451   9.4768   48.873   14.075   23.308   1.5221   18.330   2.9598 4.978727 3.328269 
1 1 1   21   19  -16 o   7.5893   2.6516   7.4051   6.6545   7.9181   7.7032   5.8965   13.210   7.9495   2.8457   8.7429   3.5653 -0.7933235 4.561719 
1 1 1   21   19  -15 o   14.031   2.0430   27.718   7.4733   38.809   9.3980   8.6417   12.325   16.608   2.1578   9.0606   3.5247 7.547324 4.132750 
1 1 1   21   19  -14 o   44.696   0.8827  269.727   10.597  274.565   14.751  264.566   15.234   44.986   1.2208   44.135   1.2851 0.8509293 1.772533 
1 1 1   21   19  -13 o   9.2397   2.6496   12.327   6.9164   16.208   9.7222   8.3509   9.8414   10.537   3.1738   8.5016   3.1877 2.035693 4.498276 
1 1 1   21   19  -12 o   30.763   0.9781  127.912   8.0815  126.503   10.802  129.703   12.179   30.513   1.3180   30.853   1.4697 -0.3399982 1.974130 
1 1 1   21   19  -11 o   31.665   0.9712  135.499   8.2599  141.057   11.173  128.800   12.266   32.230   1.2906   30.744   1.4855 1.486917 1.967844 
1 1 1   21   19  -10 o   34.049   1.0714  156.876   9.7984  160.425   12.943  152.110   14.997   34.340   1.4033   33.306   1.6819 1.034615 2.190385 
1 1 1   21   19   -9 o   13.662   1.8112   26.017   6.4823   18.681   8.5509   35.930   9.9399   11.291   2.8262   15.904   2.4018 -4.612575 3.708933 
1 1 1   21   19   -8 o   22.865   1.1674   71.008   7.1453   68.101   9.6159   74.591   10.677   22.276   1.6182   23.287   1.7192 -1.011015 2.360993 
1 1 1   21   19   -7 o   5.1919   2.2877  -1.4459   6.2089  -1.3433   8.5202  -1.5621   9.0665   6.1515   2.6960   6.3138   2.7738 -0.1623464 3.868133 
1 1 1   21   19   -6 o   45.259   0.8592  276.370   10.444  278.600   15.026  274.285   14.527   45.330   1.2342   44.989   1.2022 0.3414688 1.722916 
1 1 1   21   19   -5 o   48.814   0.9464  321.789   12.409  327.365   17.660  316.352   17.438   49.098   1.3392   48.263   1.3452 0.8353348 1.898185 
1 1 1   21   19   -4 o   18.020   1.4776   44.480   7.0885   48.075   10.382   41.341   9.7021   18.553   2.1215   17.179   2.1497 1.373735 3.020291 
1 1 1   21   19   -3 o   6.8932   2.6566   4.6594   6.9509   12.696   10.660  -1.2857   9.1681   9.7176   3.3582   6.4011   2.8013 3.316461 4.373136 
1 1 1   21   19   -2 o   8.0110   2.8281   8.1253   7.5830  -7.9540   11.056   22.406   10.420   6.1487   2.8433   12.319   3.1398 -6.170537 4.235871 
1 1 1   21   19   -1 o   21.158   1.3952   61.089   7.8844   51.003   12.927   67.063   9.9491   18.943   2.6101   22.093   1.6894 -3.150574 3.109160 
1 1 1   21   19    0 o   8.5472   2.6712   10.231   6.8071   3.7611   10.864   14.412   8.7342   7.8234   3.2166   10.006   3.0070 -2.182389 4.403279 
1 1 1   21   19    1 o   14.373   1.8617   28.769   7.0182   28.810   10.910   28.739   9.1669   14.032   2.9864   14.174   2.4993 -0.1421185 3.894228 
1 1 1   21   19    2 o   18.967   1.4766   49.241   7.4630   44.204   11.597   52.802   9.7502   17.647   2.5181   19.533   1.8817 -1.886482 3.143549 
1 1 1   21   19    3 o   20.300   1.4206   56.295   7.6971   49.563   12.527   60.378   9.7558   18.684   2.5639   20.938   1.7508 -2.253418 3.104643 
1 1 1   21   19    4 o   7.3467   2.7494   5.9738   7.3148   23.912   10.752  -9.4847   9.9807   12.717   3.1614   5.5864   2.6222 7.130368 4.107309 
1 1 1   21   19    5 o   13.813   1.9911   26.752   7.1737   17.102   9.8805   37.511   10.432   10.823   3.1853   16.244   2.4689 -5.420415 4.030043 
1 1 1   21   19    6 o   15.440   1.7867   33.065   7.2727   33.691   10.684   32.524   9.9283   15.295   2.6993   15.076   2.5423 0.2185211 3.708029 
1 1 1   21   19    7 o   16.211   1.8365   36.479   7.8555   38.112   10.786   34.633   11.464   16.346   2.5391   15.446   2.8689 0.8994360 3.831138 
1 1 1   21   19    8 o   10.393   2.3825   15.598   6.5086   12.601   8.6790   19.451   9.8389   9.4540   3.0240   11.484   3.1122 -2.029771 4.339369 
1 1 1   21   19    9 o   18.177   1.4348   45.236   6.9483   47.725   9.1852   41.906   10.624   18.554   1.8685   17.214   2.3599 1.340733 3.010088 
1 1 1   21   19   10 o   25.479   1.1097   87.891   7.5945   87.830   10.148   87.968   11.450   25.345   1.4974   25.302   1.6946 0.4292107E-01 2.261407 
1 1 1   21   19   11 o   26.669   1.1468   96.351   8.2141   97.191   10.156   94.763   13.968   26.686   1.4220   26.145   2.0044 0.5410976 2.457594 
1 1 1   21   19   12 o   17.855   1.5043   43.759   7.1468   52.195   9.3613   31.972   11.065   19.421   1.8157   14.800   2.8873 4.621010 3.410800 
1 1 1   21   19   13 o   6.6333   2.6389   3.5934   7.0444   1.7304   9.8326   5.5580   10.097   7.1264   3.0047   7.9450   3.1598 -0.8185844 4.360328 
1 1 1   21   19   14 o   11.839   2.2019   20.015   6.7442   14.574   8.8631   27.498   10.394   10.027   3.0327   13.685   2.9171 -3.657313 4.207902 
1 1 1   21   19   15 o   24.532   1.2004   81.630   7.9092   80.538   10.732   82.927   11.702   24.204   1.6608   24.517   1.7893 -0.3130302 2.441310 
1 1 1   21   19   16 o   32.240   1.1471  140.875   9.9328  144.884   13.656  136.372   14.474   32.569   1.5611   31.499   1.7173 1.070311 2.320770 
1 1 1   21   19   17 o   9.9690   2.8152   14.502   7.8693   22.859   10.229   2.3853   12.317   12.405   3.0834   7.9379   3.3558 4.467399 4.557269 
1 1 1   21   19   18 o   30.255   1.2404  124.266   10.080  126.260   12.578  120.688   16.851   30.369   1.5472   29.432   2.1464 0.9370117 2.645910 
1 1 1   21   19   19 o   37.486   1.0725  190.251   10.798  182.021   12.409  215.914   21.912   36.609   1.2620   39.449   2.0753 -2.839935 2.428894 
1 1 1   21   19   20 o   28.410   1.0652  109.273   8.1279  119.721   10.847   95.899   12.273   29.662   1.3616   26.384   1.7417 3.277567 2.210771 
1 1 1   21   19   21 o   19.550   1.3814   52.286   7.2068   53.218   9.4517   50.992   11.139   19.596   1.8165   19.033   2.2206 0.5620613 2.868906 
1 1 1   21   19   22 o   25.192   1.3764   86.675   9.2782   83.160   11.355   93.737   16.094   24.555   1.7328   25.803   2.3479 -1.248266 2.918092 
1 1 1   21   19   23 o   11.777   2.4335   20.111   7.4432   16.184   9.6676   25.829   11.664   10.486   3.1664   13.085   3.3149 -2.598501 4.584164 
1 1 1   21   19   24 o   18.213   1.5268   45.676   7.4000   51.393   10.221   39.377   10.728   19.158   2.0165   16.563   2.4885 2.595444 3.202948 
1 1 1   21   19   25 f   34.101   1.0233  157.540   9.3722  157.577   13.715  157.508   12.837   33.933   1.5048   33.965   1.4071 -0.3235245E-01 2.060225 
1 1 1   21   19   26 o   21.089   1.3713   60.969   7.7251   53.697   10.332   70.188   11.634   19.562   1.9943   22.407   1.9525 -2.845661 2.790992 
1 1 1   21   19   27 o   13.812   2.3768   27.638   8.4993   30.402   13.007   25.579   11.228   14.005   3.4745   12.929   3.2399 1.076134 4.750666 
1 1 1   21   19   28 o   7.7868   3.1870   4.8423   10.604   13.140   25.290   3.0721   11.681   11.367   4.8073   7.7392   3.2697 3.628265 5.813856 
1 1 1   21   19   29 o   23.264   1.8322   75.863   11.356   54.282   18.028   90.057   14.621   18.452   3.7650   25.142   2.1869 -6.689438 4.354022 
1 1 1   21   19   30 o   11.512   3.5438   21.089   12.032   5.5740   33.454   23.395   12.895   11.256   5.1069   12.048   3.6612 -0.7917042 6.283653 
1 1 1   21   19   31 o   21.971   2.5766   71.338   14.916   72.130   33.922   71.148   16.608   18.304   5.9888   21.665   2.9293 -3.360996 6.666809 
1 1 1   21   19   32 o   20.278   3.1458   64.112   16.579   54.370   28.671   69.006   20.320   16.097   5.5102   20.378   3.8538 -4.281212 6.724122 
1 1 1   21   20  -31 o   7.7662   3.8077 -30.7800   27.014   0.0000   0.0000 -30.7800   27.014  ?   ?    7.7662   3.8077 0.000000 3.807675 
1 1 1   21   20  -30 o   21.139   4.1791   77.718   22.887   80.760   30.289   73.670   34.943   19.683   5.5108   17.592   6.0800 2.090771 8.205851 
1 1 1   21   20  -29 o   13.501   4.9374   34.489   23.349   51.590   31.321   13.100   35.029   15.431   5.7062   11.568   5.2392 3.862741 7.746602 
1 1 1   21   20  -28 o   12.827   3.5294   26.748   12.541   25.650   29.495   26.991   13.856   12.570   5.2457   12.756   3.7770 -0.1863956 6.464001 
1 1 1   21   20  -27 o   15.521   2.9855   36.805   11.994   46.250   32.198   35.283   12.924   15.219   5.7531   14.995   3.2984 0.2243156 6.631608 
1 1 1   21   20  -26 f   4.2818   2.1290 -22.0476   9.5509  -2.2729   16.726 -31.6146   11.634   8.1583   3.6643   4.4441   2.2305 3.714157 4.289757 
1 1 1   21   20  -25 o   8.3727   3.1781   8.4795   9.8512 -10.7041   16.415   19.278   12.316   7.2906   3.4028   11.180   3.6050 -3.889445 4.957342 
1 1 1   21   20  -24 o   44.424   1.0345  267.843   12.343  252.677   18.218  280.711   16.781   42.846   1.5831   45.293   1.3794 -2.446957 2.099769 
1 1 1   21   20  -23 o   11.204   2.6243   18.585   7.7583   14.310   11.385   22.292   10.601   10.016   3.4700   12.095   3.2099 -2.078692 4.727008 
1 1 1   21   20  -22 o   27.648   1.3112  104.217   9.7372  118.573   14.271   91.714   13.319   29.233   1.8267   25.639   1.9487 3.594614 2.671024 
1 1 1   21   20  -21 o   9.6353   2.7787   13.635   7.5873   20.471   10.926   7.2683   10.544   11.633   3.3285   8.3384   3.2556 3.294470 4.655942 
1 1 1   21   20  -20 o   9.8289   2.6479   14.186   7.1474   10.455   8.6154   22.424   12.801   8.7686   3.0197   12.134   3.6390 -3.364971 4.728695 
1 1 1   21   20  -19 o   44.306   0.9842  265.644   11.712  268.835   14.677  260.050   19.434   44.476   1.2286   43.531   1.6621 0.9457932 2.066911 
1 1 1   21   20  -18 o   31.351   0.9988  133.018   8.4108  129.031   11.003  138.625   13.046   30.786   1.3306   31.843   1.5254 -1.056427 2.024173 
1 1 1   21   20  -17 o   30.270   1.0164  124.020   8.2638  129.529   10.955  116.748   12.587   30.852   1.3221   29.155   1.6137 1.696974 2.086123 
1 1 1   21   20  -16 o   28.913   1.0683  113.234   8.2965  120.416   10.567  101.692   13.396   29.749   1.3225   27.112   1.8506 2.636536 2.274552 
1 1 1   21   20  -15 o   6.6272   2.6905   3.0430   7.4809   4.4257   11.149   1.9107   10.089   7.9649   3.2648   7.2147   3.0429 0.7501512 4.462997 
1 1 1   21   20  -14 o   19.266   1.4188   50.857   7.2903   43.904   9.5558   60.539   11.277   17.700   2.0479   20.820   2.0429 -3.120335 2.892609 
1 1 1   21   20  -13 o   29.065   1.0986  114.472   8.5761  121.947   12.033  106.757   12.226   29.846   1.5059   27.871   1.6404 1.975479 2.226836 
1 1 1   21   20  -12 o   29.146   1.1410  115.182   8.9318  110.586   11.631  121.786   13.944   28.411   1.5299   29.728   1.7541 -1.317064 2.327508 
1 1 1   21   20  -11 o   25.410   1.3661   88.145   9.2893   90.052   11.764   84.985   15.139   25.562   1.7236   24.576   2.3209 0.9860249 2.890902 
1 1 1   21   20  -10 o   17.699   1.6510   43.260   7.7581   45.499   9.3780   38.405   13.809   18.055   1.9657   16.030   3.3165 2.024227 3.855271 
1 1 1   21   20   -9 o   19.294   1.8078   51.601   9.2593   55.997   10.657   38.062   18.703   20.035   2.0074   15.527   4.3244 4.508439 4.767635 
1 1 1   21   20   -8 o   8.4406   2.7302   9.9241   7.0594   11.912   8.7409   6.1955   11.971   9.2280   3.0410   8.5006   3.4200 0.7274618 4.576521 
1 1 1   21   20   -7 o   12.695   2.1063   22.869   6.9302   26.563   9.5187   18.703   10.109   13.495   2.7200   11.226   3.1981 2.269271 4.198398 
1 1 1   21   20   -6 o   44.577   0.8761  268.332   10.490  276.241   14.117  258.581   15.674   45.134   1.1645   43.600   1.3385 1.534206 1.774154 
1 1 1   21   20   -5 o   21.243   1.3031   61.564   7.3994   69.209   9.8699   51.753   11.181   22.426   1.6502   19.184   2.2103 3.241743 2.758344 
1 1 1   21   20   -4 o   27.277   1.1153  100.807   8.1713   95.635   10.634  108.262   12.768   26.432   1.5041   28.055   1.7025 -1.623241 2.271763 
1 1 1   21   20   -3 o   16.246   1.6571   36.489   7.1295   29.373   9.3129   46.564   11.082   14.285   2.5193   18.143   2.3277 -3.857826 3.429985 
1 1 1   21   20   -2 o   11.687   2.1596   19.495   6.5294   22.066   9.1121   16.782   9.3608   12.250   2.8268   10.679   3.0883 1.571165 4.186682 
1 1 1   21   20   -1 o   7.9804   2.7457   8.4064   7.1225   3.7926   11.711   11.115   8.9728   8.0121   3.3213   9.0404   3.0826 -1.028277 4.531332 
1 1 1   21   20    0 f   5.5211   2.4260  -1.3160   6.9381   5.0136   11.059  -5.4244   8.9096   8.0674   3.2726   5.6603   2.5936 2.407158 4.175705 
1 1 1   21   20    1 o   24.699   1.2564   83.050   8.3072   81.598   13.536   83.927   10.522   24.189   2.1043   24.729   1.5927 -0.5392342 2.639069 
1 1 1   21   20    2 o   22.185   1.3718   67.223   8.1341   64.957   13.160   68.625   10.347   21.476   2.3181   22.303   1.7412 -0.8264561 2.899207 
1 1 1   21   20    3 o   22.251   1.1997   67.360   7.1435   64.650   9.9803   70.207   10.229   21.646   1.7311   22.573   1.6996 -0.9271374 2.425988 
1 1 1   21   20    4 o   27.950   1.0476  105.732   7.8646  105.304   10.864  106.203   11.399   27.754   1.4626   27.849   1.5298 -0.9548950E-01 2.116499 
1 1 1   21   20    5 o   9.8332   2.5878   14.095   6.9276   19.936   9.0419   5.7934   10.780   11.619   2.9051   8.1466   3.2568 3.472186 4.364162 
1 1 1   21   20    6 o   28.941   1.0474  113.376   8.1415  116.890   10.880  108.905   12.273   29.301   1.3825   28.164   1.6293 1.137054 2.136814 
1 1 1   21   20    7 o   12.736   2.0546   22.958   6.7889   29.950   8.8543   12.983   10.575   14.482   2.3575   9.7222   3.3457 4.759305 4.092850 
1 1 1   21   20    8 o   31.916   1.0806  137.957   9.2630  133.078   12.222  144.541   14.199   31.239   1.4567   32.454   1.6341 -1.215446 2.189093 
1 1 1   21   20    9 o   13.853   2.1506   27.202   7.7427   26.071   8.9495   30.565   15.439   13.413   2.5778   14.069   3.9328 -0.6559353 4.702345 
1 1 1   21   20   10 o   12.752   2.6561   23.718   8.8018   25.733   10.084   17.272   18.034   13.205   2.9208   11.469   4.3122 1.735785 5.208307 
1 1 1   21   20   11 o   33.308   1.0647  150.240   9.5250  156.889   11.601  136.481   16.686   33.977   1.2712   31.366   1.9910 2.611835 2.362205 
1 1 1   21   20   12 o   31.800   1.0510  136.918   8.9768  143.238   11.370  126.456   14.628   32.454   1.3043   30.271   1.8074 2.183422 2.228846 
1 1 1   21   20   13 o   23.619   1.4400   76.343   9.0914   74.994   12.446   77.886   13.312   23.202   2.0173   23.604   2.1224 -0.4014893 2.928146 
1 1 1   21   20   14 o   16.636   1.7000   38.336   7.4897   51.230   10.471   24.829   10.717   19.127   2.0714   12.896   3.1265 6.230732 3.750389 
1 1 1   21   20   15 o   4.9859   2.2664  -3.5627   6.6289  -2.8400   8.6826  -4.5726   10.264   5.9428   2.6566   6.2605   2.8357 -0.3177118 3.885702 
1 1 1   21   20   16 o   20.173   1.3817   55.684   7.4414   56.662   9.6954   54.281   11.609   20.220   1.8041   19.624   2.2427 0.5963459 2.878330 
1 1 1   21   20   17 o   35.479   1.1347  170.702   10.813  160.932   14.660  182.358   16.013   34.288   1.5919   36.480   1.6343 -2.192581 2.281459 
1 1 1   21   20   18 o   49.837   0.9630  335.951   12.891  320.020   17.472  354.984   19.097   48.479   1.3418   51.031   1.3933 -2.552254 1.934374 
1 1 1   21   20   19 o   26.236   1.1378   93.386   8.0178   87.184   10.550  101.862   12.335   25.190   1.5672   27.183   1.6980 -1.993017 2.310709 
1 1 1   21   20   20 o   41.159   0.9965  229.345   11.017  240.281   14.571  214.753   16.832   42.014   1.2912   39.586   1.5831 2.428001 2.042901 
1 1 1   21   20   21 o   21.077   1.4218   60.943   8.0017   64.232   9.6490   53.699   14.319   21.553   1.6801   19.173   2.8686 2.379551 3.324369 
1 1 1   21   20   22 o   14.716   1.7852   30.300   6.9120   27.681   8.8202   34.468   11.127   13.812   2.4681   15.298   2.8116 -1.485555 3.741223 
1 1 1   21   20   23 o   20.583   1.6511   58.686   9.0513   68.499   14.647   52.625   11.512   21.813   2.5481   19.223   2.2738 2.589550 3.415087 
1 1 1   21   20   24 o   41.622   1.1405  235.661   12.751  226.551   21.018  240.966   16.039   40.325   1.9405   41.939   1.4239 -1.613594 2.406884 
1 1 1   21   20   25 o   30.457   1.4777  127.477   12.088  178.100   35.930  121.016   12.837   33.444   4.0847   29.565   1.6227 3.879257 4.395214 
1 1 1   21   20   26 f   8.4887   3.3468   8.0034   11.237   8.5510   31.526   7.9237   12.027   11.429   5.0890   8.6195   3.4421 2.809317 6.143779 
1 1 1   21   20   27 o   21.966   2.1335   69.016   12.429   38.640   33.056   74.017   13.413   14.282   5.7054   22.692   2.2295 -8.409767 6.125491 
1 1 1   21   20   28 o   7.1925   3.0982   1.7736   10.853   13.480   31.308   0.1749   11.570   11.512   5.1015   7.1363   3.1343 4.375827 5.987465 
1 1 1   21   20   29 o   26.099   2.6156  101.372   18.088  110.600   31.626   96.886   22.051   24.438   4.9870   24.708   3.4140 -0.2691574 6.043617 
1 1 1   21   20   30 o   6.9074   3.3515 -22.2487   19.435 -23.7100   27.010 -20.6800   27.985   8.2012   3.9726   8.5090   4.1025 -0.3077879 5.710709 
1 1 1   21   20   31 o   7.9306   3.8662 -26.3200   26.711   0.0000   0.0000 -26.3200   26.711  ?   ?    7.9306   3.8662 0.000000 3.866230 
1 1 1   21   21    0 o   26.642   1.7807   96.917   12.669   94.605   20.981   98.244   15.894   25.905   3.0756   26.699   2.2370 -0.7935581 3.803046 
1 1 1   21   21    1 o   5.6940   2.4432   0.1159   6.7004  -9.6767   9.4109   10.184   9.5421   5.3192   2.5120   8.8488   3.1673 -3.529558 4.042511 
1 1 1   21   21    2 o   10.331   2.5446   15.624   7.0146   9.5150   10.133   21.246   9.7204   8.7854   3.2462   11.934   3.0277 -3.148528 4.439010 
1 1 1   21   21    3 f   16.139   1.7228   36.169   7.3525   37.468   10.658   34.990   10.156   16.133   2.5439   15.593   2.5101 0.5396004 3.573846 
1 1 1   21   21    4 o   18.856   1.4386   48.790   7.2306   34.822   9.8318   65.245   10.671   15.587   2.4274   21.679   1.8503 -6.092075 3.052217 
1 1 1   21   21    5 o   38.429   0.9550  199.749   9.8577  193.895   12.880  208.026   15.316   37.758   1.2700   39.031   1.4610 -1.272640 1.935815 
1 1 1   21   21    6 o   34.415   1.0141  160.343   9.3741  158.806   12.162  162.591   14.712   34.153   1.3259   34.455   1.5898 -0.3019829 2.070133 
1 1 1   21   21    7 o   20.370   1.5334   57.054   8.3279   56.463   10.078   58.324   14.787   20.145   1.8846   20.063   2.8221 0.8183098E-01 3.393521 
1 1 1   21   21    8 o   39.629   0.9508  212.411   10.121  205.582   13.014  222.860   16.099   38.889   1.2459   40.388   1.4841 -1.499146 1.937711 
1 1 1   21   21    9 o   10.505   2.4573   16.102   6.8100   19.320   8.9381   11.649   10.514   11.406   2.9085   9.3528   3.3271 2.053573 4.419199 
1 1 1   21   21   10 o   13.124   2.0435   24.401   6.9691   27.837   9.2035   19.782   10.670   13.849   2.5688   11.482   3.2904 2.366761 4.174397 
1 1 1   21   21   11 o   40.075   0.9605  217.264   10.339  214.957   14.109  219.940   15.195   39.732   1.3221   40.153   1.4089 -0.4204330 1.932091 
1 1 1   21   21   12 o   26.066   1.2122   92.325   8.4867   95.045   11.984   89.589   12.020   26.245   1.7094   25.453   1.7692 0.7917900 2.460104 
1 1 1   21   21   13 o   43.011   1.0932  250.856   12.629  260.580   18.472  242.323   17.304   43.610   1.5770   42.079   1.5311 1.531525 2.198023 
1 1 1   21   21   14 o   22.440   1.2898   68.768   7.7412   70.211   10.311   66.904   11.719   22.532   1.7167   21.872   2.0175 0.6598072 2.649096 
1 1 1   21   21   15 o   17.025   1.6185   40.115   7.3120   47.386   9.5349   29.734   11.393   18.395   1.9600   14.087   3.0956 4.308535 3.663929 
1 1 1   21   21   16 o   16.470   1.6467   37.624   7.1867   32.076   9.1996   46.311   11.512   14.939   2.3720   17.972   2.4486 -3.032824 3.409054 
1 1 1   21   21   17 o   19.438   1.5758   52.179   8.1562   67.281   11.419   36.448   11.654   21.934   1.9589   15.713   2.8670 6.220720 3.472341 
1 1 1   21   21   18 o   24.711   1.2210   83.129   8.1039   79.235   10.354   89.287   13.020   23.952   1.6189   25.288   1.9316 -1.335850 2.520327 
1 1 1   21   21   19 f   25.367   1.2395   87.690   8.4453   82.531   10.365   97.880   14.568   24.449   1.5869   26.387   2.0721 -1.938887 2.610001 
1 1 1   21   21   20 o   9.5061   2.6607   13.405   7.0616   21.299   9.3132   2.7283   10.831   11.869   2.9373   7.4749   3.1527 4.394504 4.308974 
1 1 1   21   21   21 o   6.7372   2.8398   1.9971   8.7782   8.1759   13.035  -3.1310   11.875   8.9010   3.5731   6.8689   3.0861 2.032093 4.721359 
1 1 1   21   21   22 o   5.5249   2.5702  -6.7867   9.2427 -22.7900   16.661   0.3281   11.109   6.3986   3.1043   7.1129   3.0989 -0.7142277 4.386329 
1 1 1   21   21   23 o   6.8866   2.9538   1.4162   9.7865  -6.1933   17.048   5.1563   11.952   7.7905   3.5763   8.0760   3.3521 -0.2855473 4.901736 
1 1 1   21   21   24 o   35.200   1.5701  171.768   14.844  167.700   37.144  172.540   16.193   31.269   4.5567   35.174   1.7141 -3.905205 4.868431 
1 1 1   21   21   25 o   24.636   2.1636   87.400   14.171  144.500   34.910   76.134   15.506   28.573   4.7132   22.655   2.5952 5.918253 5.380401 
1 1 1   21   21   26 o   10.452   3.9538   16.904   15.214   36.970   30.245   10.106   17.603   13.561   5.4430   9.5982   4.0322 3.962355 6.773858 
1 1 1   21   21   27 o   8.7215   3.9850  -1.2128   20.834 -17.9000   27.892   19.850   31.336   8.6204   4.1408   11.632   5.1317 -3.011456 6.593919 
1 1 1   21   21   28 o   9.3827   4.0901   8.2073   19.377 -18.5000   26.993   36.600   27.832   8.3614   4.0308   13.127   5.2380 -4.765900 6.609354 
1 1 1   21   21   29 o   9.5280   4.0756   11.081   18.541   13.930   25.001   7.6000   27.639   10.374   4.5799   10.025   4.5843 0.3489866 6.480104 
1 1 1   22    0  -51 o   24.747   3.1464   90.256   19.992   90.256   19.992   90.256   19.992   24.747   3.1464   24.747   3.1464 0.000000 0.000000 
1 1 1   22    0  -50 o   24.256   3.3481   87.073   20.628   87.073   20.628   87.073   20.628   24.256   3.3481   24.256   3.3481 0.000000 0.000000 
1 1 1   22    0  -49 o   33.101   1.8383  150.407   16.228  150.407   16.228  150.407   16.228   33.101   1.8383   33.101   1.8383 0.000000 0.000000 
1 1 1   22    0  -48 o   38.561   1.7060  202.811   17.591  202.811   17.591  202.811   17.591   38.561   1.7060   38.561   1.7060 0.000000 0.000000 
1 1 1   22    0  -47 o   5.0296   3.3487  -3.0381   12.202  -3.0381   12.202  -3.0381   12.202   5.0296   3.3487   5.0296   3.3487 0.000000 0.000000 
1 1 1   22    0  -46 o   10.401   4.5941   21.857   13.495   21.857   13.495   21.857   13.495   10.401   4.5941   10.401   4.5941 0.000000 0.000000 
1 1 1   22    0  -45 o   6.8553   4.4019   2.0441   18.458   2.0441   18.458   2.0441   18.458   6.8553   4.4019   6.8553   4.4019 0.000000 0.000000 
1 1 1   22    0  -44 o   18.014   3.1408   48.284   13.813   48.284   13.813   48.284   13.813   18.014   3.1408   18.014   3.1408 0.000000 0.000000 
1 1 1   22    0  -43 o   19.838   2.6340   56.405   13.343   56.405   13.343   56.405   13.343   19.838   2.6340   19.838   2.6340 0.000000 0.000000 
1 1 1   22    0  -42 o   31.412   2.3770  136.464   19.790  136.464   19.790  136.464   19.790   31.412   2.3770   31.412   2.3770 0.000000 0.000000 
1 1 1   22    0  -41 o   20.834   2.4332   61.319   13.130   61.319   13.130   61.319   13.130   20.834   2.4332   20.834   2.4332 0.000000 0.000000 
1 1 1   22    0  -40 o   5.5649   3.5265   1.8136   11.386   1.8136   11.386   1.8136   11.386   5.5649   3.5265   5.5649   3.5265 0.000000 0.000000 
1 1 1   22    0  -39 o   51.360   1.4707  356.446   20.250  356.446   20.250  356.446   20.250   51.360   1.4707   51.360   1.4707 0.000000 0.000000 
1 1 1   22    0  -38 o   54.756   1.4512  404.823   21.309  404.823   21.309  404.823   21.309   54.756   1.4512   54.756   1.4512 0.000000 0.000000 
1 1 1   22    0  -37 o   11.334   3.9805   22.950   10.988   22.950   10.988   22.950   10.988   11.334   3.9805   11.334   3.9805 0.000000 0.000000 
1 1 1   22    0  -36 o   13.814   3.5881   30.609   11.505   30.609   11.505   30.609   11.505   13.814   3.5881   13.814   3.5881 0.000000 0.000000 
1 1 1   22    0  -35 o   4.7503   3.2939 -12.1091   14.585 -12.1091   14.585 -12.1091   14.585   4.7503   3.2939   4.7503   3.2939 0.000000 0.000000 
1 1 1   22    0  -34 o   12.160   3.9122   25.444   11.279   25.444   11.279   25.444   11.279   12.160   3.9122   12.160   3.9122 0.000000 0.000000 
1 1 1   22    0  -33 o   47.173   1.4223  300.311   17.984  300.311   17.984  300.311   17.984   47.173   1.4223   47.173   1.4223 0.000000 0.000000 
1 1 1   22    0  -32 o   30.087   1.7027  123.074   13.659  123.074   13.659  123.074   13.659   30.087   1.7027   30.087   1.7027 0.000000 0.000000 
1 1 1   22    0  -31 o   28.461   2.3760  111.569   17.872  111.569   17.872  111.569   17.872   28.461   2.3760   28.461   2.3760 0.000000 0.000000 
1 1 1   22    0  -30 o   59.121   1.3822  470.871   21.921  470.871   21.921  470.871   21.921   59.121   1.3822   59.121   1.3822 0.000000 0.000000 
1 1 1   22    0  -29 o   50.024   1.3801  337.276   18.511  337.276   18.511  337.276   18.511   50.024   1.3801   50.024   1.3801 0.000000 0.000000 
1 1 1   22    0  -28 o   75.665   1.4508  770.714   29.461  770.714   29.461  770.714   29.461   75.665   1.4508   75.665   1.4508 0.000000 0.000000 
1 1 1   22    0  -27 o   16.952   2.6049   41.359   11.028   41.359   11.028   41.359   11.028   16.952   2.6049   16.952   2.6049 0.000000 0.000000 
1 1 1   22    0  -26 o   58.635   1.3655  462.915   21.479  462.915   21.479  462.915   21.479   58.635   1.3655   58.635   1.3655 0.000000 0.000000 
1 1 1   22    0  -25 o   79.675   1.4712  854.257   31.459  854.257   31.459  854.257   31.459   79.675   1.4712   79.675   1.4712 0.000000 0.000000 
1 1 1   22    0  -24 o   72.179   1.4092  701.053   27.296  701.053   27.296  701.053   27.296   72.179   1.4092   72.179   1.4092 0.000000 0.000000 
1 1 1   22    0  -23 o   26.555   1.6911   95.959   11.949   95.959   11.949   95.959   11.949   26.555   1.6911   26.555   1.6911 0.000000 0.000000 
1 1 1   22    0  -22 o   11.231   3.8204   22.005   10.331   22.005   10.331   22.005   10.331   11.231   3.8204   11.231   3.8204 0.000000 0.000000 
1 1 1   22    0  -21 o   39.755   1.9719  214.107   20.937  214.107   20.937  214.107   20.937   39.755   1.9719   39.755   1.9719 0.000000 0.000000 
1 1 1   22    0  -20 o   32.171   1.4509  139.934   12.479  139.934   12.479  139.934   12.479   32.171   1.4509   32.171   1.4509 0.000000 0.000000 
1 1 1   22    0  -19 o  119.682   1.8387  1926.99   59.075  1926.99   59.075  1926.99   59.075  119.682   1.8387  119.682   1.8387 0.000000 0.000000 
1 1 1   22    0  -18 o   8.8752   3.8450   15.164   9.4590   15.164   9.4590   15.164   9.4590   8.8752   3.8450   8.8752   3.8450 0.000000 0.000000 
1 1 1   22    0  -17 o   43.489   1.3188  254.814   15.372  254.814   15.372  254.814   15.372   43.489   1.3188   43.489   1.3188 0.000000 0.000000 
1 1 1   22    0  -16 o   86.432   1.5046  1004.72   34.905  1004.72   34.905  1004.72   34.905   86.432   1.5046   86.432   1.5046 0.000000 0.000000 
1 1 1   22    0  -15 o  127.398   2.7131  2186.22   92.743  2186.22   92.743  2186.22   92.743  127.398   2.7131  127.398   2.7131 0.000000 0.000000 
1 1 1   22    0  -14 o  185.521   3.6982  4640.86  184.115  4640.86  184.115  4640.86  184.115  185.521   3.6982  185.521   3.6982 0.000000 0.000000 
1 1 1   22    0  -13 o  204.257   2.8423  5614.93  155.866  5614.93  155.866  5614.93  155.866  204.257   2.8423  204.257   2.8423 0.000000 0.000000 
1 1 1   22    0  -12 o   96.266   1.8066  1246.58   46.675  1246.58   46.675  1246.58   46.675   96.266   1.8066   96.266   1.8066 0.000000 0.000000 
1 1 1   22    0  -11 o   88.373   1.1970  1049.66   28.401  1049.66   28.401  1049.66   28.401   88.373   1.1970   88.373   1.1970 0.000000 0.000000 
1 1 1   22    0  -10 o   43.672   0.9774  256.553   11.452  256.553   11.452  256.553   11.452   43.672   0.9774   43.672   0.9774 0.000000 0.000000 
1 1 1   22    0   -9 o   61.146   1.0217  502.603   16.770  502.603   16.770  502.603   16.770   61.146   1.0217   61.146   1.0217 0.000000 0.000000 
1 1 1   22    0   -8 o   62.509   1.1399  525.370   19.123  525.370   19.123  525.370   19.123   62.509   1.1399   62.509   1.1399 0.000000 0.000000 
1 1 1   22    0   -7 o   5.8286   3.2264   6.2522   7.4012   6.2522   7.4012   6.2522   7.4012   5.8286   3.2264   5.8286   3.2264 0.000000 0.000000 
1 1 1   22    0   -6 o   72.320   1.2062  703.115   23.416  703.115   23.416  703.115   23.416   72.320   1.2062   72.320   1.2062 0.000000 0.000000 
1 1 1   22    0   -5 o  135.315   1.6207  2460.86   58.883  2460.86   58.883  2460.86   58.883  135.315   1.6207  135.315   1.6207 0.000000 0.000000 
1 1 1   22    0   -4 o   52.604   1.1243  372.184   15.868  372.184   15.868  372.184   15.868   52.604   1.1243   52.604   1.1243 0.000000 0.000000 
1 1 1   22    0   -3 o  163.177   1.8938  3578.92   82.974  3578.92   82.974  3578.92   82.974  163.177   1.8938  163.177   1.8938 0.000000 0.000000 
1 1 1   22    0   -2 o   44.819   1.2870  270.483   15.464  270.483   15.464  270.483   15.464   44.819   1.2870   44.819   1.2870 0.000000 0.000000 
1 1 1   22    0   -1 f   81.253   1.2649  887.452   27.590  887.452   27.590  887.452   27.590   81.253   1.2649   81.253   1.2649 0.000000 0.000000 
1 1 1   22    0    0 o   50.019   1.2534  336.693   16.815  336.693   16.815  336.693   16.815   50.019   1.2534   50.019   1.2534 0.000000 0.000000 
1 1 1   22    0    1 f   25.750   1.6247   90.132   11.134   90.132   11.134   90.132   11.134   25.750   1.6247   25.750   1.6247 0.000000 0.000000 
1 1 1   22    0    2 o   88.433   1.3324  1051.19   31.631  1051.19   31.631  1051.19   31.631   88.433   1.3324   88.433   1.3324 0.000000 0.000000 
1 1 1   22    0    3 o   36.703   1.5284  181.907   15.008  181.907   15.008  181.907   15.008   36.703   1.5284   36.703   1.5284 0.000000 0.000000 
1 1 1   22    0    4 o   67.928   1.0769  620.221   19.638  620.221   19.638  620.221   19.638   67.928   1.0769   67.928   1.0769 0.000000 0.000000 
1 1 1   22    0    5 o   72.047   1.0994  697.703   21.263  697.703   21.263  697.703   21.263   72.047   1.0994   72.047   1.0994 0.000000 0.000000 
1 1 1   22    0    6 o  212.401   2.9387  6069.19  167.578  6069.19  167.578  6069.19  167.578  212.401   2.9387  212.401   2.9387 0.000000 0.000000 
1 1 1   22    0    7 o   12.450   2.7719   23.676   8.0993   23.676   8.0993   23.676   8.0993   12.450   2.7719   12.450   2.7719 0.000000 0.000000 
1 1 1   22    0    8 o   18.637   1.7700   47.918   8.6768   47.918   8.6768   47.918   8.6768   18.637   1.7700   18.637   1.7700 0.000000 0.000000 
1 1 1   22    0    9 o  195.658   2.4398  5148.18  128.173  5148.18  128.173  5148.18  128.173  195.658   2.4398  195.658   2.4398 0.000000 0.000000 
1 1 1   22    0   10 o  114.026   1.5718  1747.79   48.116  1747.79   48.116  1747.79   48.116  114.026   1.5718  114.026   1.5718 0.000000 0.000000 
1 1 1   22    0   11 o   15.576   2.1178   34.367   8.3973   34.367   8.3973   34.367   8.3973   15.576   2.1178   15.576   2.1178 0.000000 0.000000 
1 1 1   22    0   12 o   99.732   1.5964  1337.41   42.739  1337.41   42.739  1337.41   42.739   99.732   1.5964   99.732   1.5964 0.000000 0.000000 
1 1 1   22    0   13 o   14.923   2.2515   31.906   8.4175   31.906   8.4175   31.906   8.4175   14.923   2.2515   14.923   2.2515 0.000000 0.000000 
1 1 1   22    0   14 o   82.232   1.2928  909.111   28.538  909.111   28.538  909.111   28.538   82.232   1.2928   82.232   1.2928 0.000000 0.000000 
1 1 1   22    0   15 o   44.478   1.2851  266.443   15.323  266.443   15.323  266.443   15.323   44.478   1.2851   44.478   1.2851 0.000000 0.000000 
1 1 1   22    0   16 o  174.713   2.2128  4106.18  103.799  4106.18  103.799  4106.18  103.799  174.713   2.2128  174.713   2.2128 0.000000 0.000000 
1 1 1   22    0   17 o   27.203   1.6361  100.525   11.855  100.525   11.855  100.525   11.855   27.203   1.6361   27.203   1.6361 0.000000 0.000000 
1 1 1   22    0   18 o   30.323   1.1558  124.071   9.3828  124.071   9.3828  124.071   9.3828   30.323   1.1558   30.323   1.1558 0.000000 0.000000 
1 1 1   22    0   19 o  137.665   1.6562  2548.38   61.220  2548.38   61.220  2548.38   61.220  137.665   1.6562  137.665   1.6562 0.000000 0.000000 
1 1 1   22    0   20 o   98.033   1.4267  1292.35   37.548  1292.35   37.548  1292.35   37.548   98.033   1.4267   98.033   1.4267 0.000000 0.000000 
1 1 1   22    0   21 o   18.060   1.6383   44.917   7.7967   44.917   7.7967   44.917   7.7967   18.060   1.6383   18.060   1.6383 0.000000 0.000000 
1 1 1   22    0   22 o   48.435   1.0408  315.612   13.526  315.612   13.526  315.612   13.526   48.435   1.0408   48.435   1.0408 0.000000 0.000000 
1 1 1   22    0   23 o   90.887   1.2505  1110.68   30.513  1110.68   30.513  1110.68   30.513   90.887   1.2505   90.887   1.2505 0.000000 0.000000 
1 1 1   22    0   24 o   7.3988   3.3312   10.684   7.0903   10.684   7.0903   10.684   7.0903   7.3988   3.3312   7.3988   3.3312 0.000000 0.000000 
1 1 1   22    0   25 o   69.267   1.3350  645.607   24.817  645.607   24.817  645.607   24.817   69.267   1.3350   69.267   1.3350 0.000000 0.000000 
1 1 1   22    0   26 o   60.676   1.1575  495.300   18.849  495.300   18.849  495.300   18.849   60.676   1.1575   60.676   1.1575 0.000000 0.000000 
1 1 1   22    0   27 o   28.842   1.2482  112.436   9.6281  112.436   9.6281  112.436   9.6281   28.842   1.2482   28.842   1.2482 0.000000 0.000000 
1 1 1   22    0   28 o   13.162   2.4161   25.554   7.6917   25.554   7.6917   25.554   7.6917   13.162   2.4161   13.162   2.4161 0.000000 0.000000 
1 1 1   22    0   29 o   45.633   1.0737  280.339   13.144  280.339   13.144  280.339   13.144   45.633   1.0737   45.633   1.0737 0.000000 0.000000 
1 1 1   22    0   30 o   3.9720   2.6248  -1.6709   7.2698  -1.6709   7.2698  -1.6709   7.2698   3.9720   2.6248   3.9720   2.6248 0.000000 0.000000 
1 1 1   22    0   31 o   19.209   1.6499   50.757   8.3678   50.757   8.3678   50.757   8.3678   19.209   1.6499   19.209   1.6499 0.000000 0.000000 
1 1 1   22    0   32 o   73.142   1.2705  720.245   24.942  720.245   24.942  720.245   24.942   73.142   1.2705   73.142   1.2705 0.000000 0.000000 
1 1 1   22    0   33 o   25.015   1.4116   85.018   9.4156   85.018   9.4156   85.018   9.4156   25.015   1.4116   25.015   1.4116 0.000000 0.000000 
1 1 1   22    0   34 o   15.879   2.4286   36.360   9.6384   36.360   9.6384   36.360   9.6384   15.879   2.4286   15.879   2.4286 0.000000 0.000000 
1 1 1   22    0   35 o   53.316   1.3747  383.413   19.656  383.413   19.656  383.413   19.656   53.316   1.3747   53.316   1.3747 0.000000 0.000000 
1 1 1   22    0   36 o   33.705   1.2994  153.586   11.723  153.586   11.723  153.586   11.723   33.705   1.2994   33.705   1.2994 0.000000 0.000000 
1 1 1   22    0   37 o   30.928   1.3192  129.477   10.913  129.477   10.913  129.477   10.913   30.928   1.3192   30.928   1.3192 0.000000 0.000000 
1 1 1   22    0   38 o   44.248   1.1567  264.021   13.726  264.021   13.726  264.021   13.726   44.248   1.1567   44.248   1.1567 0.000000 0.000000 
1 1 1   22    0   39 o   26.114   1.7254   93.237   11.981   93.237   11.981   93.237   11.981   26.114   1.7254   26.114   1.7254 0.000000 0.000000 
1 1 1   22    0   40 o   24.080   1.8894   79.817   12.047   79.817   12.047   79.817   12.047   24.080   1.8894   24.080   1.8894 0.000000 0.000000 
1 1 1   22    0   41 o   29.541   1.6153  118.881   12.729  118.881   12.729  118.881   12.729   29.541   1.6153   29.541   1.6153 0.000000 0.000000 
1 1 1   22    0   42 o   20.765   2.0177   60.055   11.009   60.055   11.009   60.055   11.009   20.765   2.0177   20.765   2.0177 0.000000 0.000000 
1 1 1   22    0   43 o   7.0123   3.8027   9.7621   10.057   9.7621   10.057   9.7621   10.057   7.0123   3.8027   7.0123   3.8027 0.000000 0.000000 
1 1 1   22    0   44 o   72.341   1.3118  706.651   25.471  706.651   25.471  706.651   25.471   72.341   1.3118   72.341   1.3118 0.000000 0.000000 
1 1 1   22    0   45 o   38.547   1.3005  201.137   13.430  201.137   13.430  201.137   13.430   38.547   1.3005   38.547   1.3005 0.000000 0.000000 
1 1 1   22    0   46 o   32.944   1.3908  147.318   12.256  147.318   12.256  147.318   12.256   32.944   1.3908   32.944   1.3908 0.000000 0.000000 
1 1 1   22    0   47 o   39.569   1.3199  212.077   13.992  212.077   13.992  212.077   13.992   39.569   1.3199   39.569   1.3199 0.000000 0.000000 
1 1 1   22    0   48 o   16.240   3.0718   39.902   12.002   39.902   12.002   39.902   12.002   16.240   3.0718   16.240   3.0718 0.000000 0.000000 
1 1 1   22    0   49 o   16.927   3.7535   45.307   14.918   45.307   14.918   45.307   14.918   16.927   3.7535   16.927   3.7535 0.000000 0.000000 
1 1 1   22    0   50 o   28.281   2.6006  113.340   19.370  113.340   19.370  113.340   19.370   28.281   2.6006   28.281   2.6006 0.000000 0.000000 
1 1 1   22    0   51 o   7.4827   4.1445   11.805   12.220   11.805   12.220   11.805   12.220   7.4827   4.1445   7.4827   4.1445 0.000000 0.000000 
1 1 1   22    0   52 o   20.170   2.7019   59.863   13.900   59.863   13.900   59.863   13.900   20.170   2.7019   20.170   2.7019 0.000000 0.000000 
1 1 1   22    0   53 o   19.563   2.2385   55.245   11.364   55.245   11.364   55.245   11.364   19.563   2.2385   19.563   2.2385 0.000000 0.000000 
1 1 1   22    0   54 o   27.990   1.9449  110.280   14.460  110.280   14.460  110.280   14.460   27.990   1.9449   27.990   1.9449 0.000000 0.000000 
1 1 1   22    1  -50 o   14.046   3.4038   29.486   12.707   26.633   17.608   32.587   18.355   13.304   4.3127   14.527   4.3577 -1.223671 6.130957 
1 1 1   22    1  -49 o   53.514   1.5134  389.419   21.753  364.766   30.479  415.013   31.056   51.434   2.2062   54.926   2.1051 -3.492363 3.049418 
1 1 1   22    1  -48 o   26.594   1.4752   96.260   10.496   82.451   14.690  110.660   15.002   24.381   2.2694   28.374   1.9809 -3.993196 3.012309 
1 1 1   22    1  -47 o   15.370   3.0294   34.020   12.062   43.236   17.569   25.802   16.589   17.076   3.9142   13.328   4.1708 3.748929 5.719851 
1 1 1   22    1  -46 o   46.965   1.2232  298.009   15.429  294.737   22.489  300.919   21.208   46.543   1.7989   47.069   1.6776 -0.5253334 2.459744 
1 1 1   22    1  -45 o   8.5108   3.0386   8.7968   8.7773   13.571   12.366   3.9487   12.461   10.293   3.6135   8.3867   3.4462 1.906231 4.993362 
1 1 1   22    1  -44 o   12.375   3.7169   22.006   13.348   18.571   18.994   25.357   18.760   12.193   4.4541   13.418   4.4568 -1.224971 6.300962 
1 1 1   22    1  -43 o   20.474   1.7789   57.382   9.6854   54.955   13.931   59.652   13.474   19.794   2.6901   20.701   2.4723 -0.9073448 3.653679 
1 1 1   22    1  -42 o   6.6946   2.8164   1.0842   8.6077  -4.5604   11.959   7.1513   12.399   6.9510   3.1119   8.9681   3.5220 -2.017099 4.699794 
1 1 1   22    1  -41 o   37.630   1.6116  191.873   16.288  184.173   23.291  199.245   22.787   36.601   2.3821   38.127   2.2349 -1.525913 3.266416 
1 1 1   22    1  -40 o   17.650   1.8850   42.779   8.7982   33.091   12.241   53.133   12.654   15.206   3.1022   19.556   2.4638 -4.349393 3.961572 
1 1 1   22    1  -39 o   38.067   1.1195  195.327   11.447  189.324   16.066  201.515   16.313   37.406   1.5991   38.596   1.5736 -1.190022 2.243534 
1 1 1   22    1  -38 o   33.018   1.1812  146.970   10.475  154.732   14.736  139.040   14.895   33.822   1.6221   31.998   1.7396 1.824005 2.378507 
1 1 1   22    1  -37 o   16.145   1.8830   35.785   8.0118   48.355   11.336   23.241   11.325   18.714   2.3039   12.743   3.2871 5.970803 4.014147 
1 1 1   22    1  -36 o   53.483   1.0101  385.090   14.510  398.408   20.692  372.204   20.353   54.336   1.4178   52.514   1.4430 1.821751 2.022979 
1 1 1   22    1  -35 o   22.629   1.4321   69.363   8.6593   74.620   12.164   63.963   12.329   23.391   1.9541   21.606   2.1533 1.784597 2.907763 
1 1 1   22    1  -34 o   20.610   2.1840   58.264   11.906   47.472   16.828   69.080   16.847   18.258   3.5594   22.305   2.8793 -4.046581 4.578151 
1 1 1   22    1  -33 o   22.845   1.3970   70.630   8.5305   67.122   11.948   74.277   12.183   22.172   2.0288   23.345   1.9612 -1.172701 2.821760 
1 1 1   22    1  -32 o   32.219   1.1530  139.763   9.9776  135.311   13.976  144.391   14.249   31.617   1.6515   32.707   1.6220 -1.090446 2.314833 
1 1 1   22    1  -31 o   59.502   0.9962  476.314   15.921  475.707   22.337  476.942   22.699   59.413   1.3997   59.487   1.4207 -0.7398605E-01 1.994371 
1 1 1   22    1  -30 o   68.440   1.4176  631.104   26.059  649.821   37.300  613.258   36.421   69.335   2.0029   67.354   2.0133 1.981117 2.839877 
1 1 1   22    1  -29 o   50.804   0.9697  347.109   13.233  349.714   18.708  344.500   18.720   50.960   1.3668   50.577   1.3780 0.3825035 1.940886 
1 1 1   22    1  -28 o   26.892   1.1977   97.308   8.6508   91.544   12.220  103.098   12.248   25.996   1.7606   27.607   1.6595 -1.611298 2.419371 
1 1 1   22    1  -27 o   63.170   0.9735  536.514   16.517  518.474   23.073  555.475   23.654   62.063   1.3841   64.241   1.3709 -2.177776 1.948140 
1 1 1   22    1  -26 o   55.758   0.9644  417.954   14.444  395.870   20.072  441.669   20.800   54.236   1.3779   57.290   1.3517 -3.053764 1.930218 
1 1 1   22    1  -25 f   90.841   1.1040  1109.60   26.938  1085.66   37.693  1134.59   38.512   89.799   1.5628   91.801   1.5619 -2.001625 2.209473 
1 1 1   22    1  -24 o   33.828   1.0484  153.837   9.5254  169.798   13.629  138.598   13.318   35.523   1.4285   32.089   1.5452 3.434566 2.104339 
1 1 1   22    1  -23 o  119.862   1.3049  1932.38   42.008  1962.78   59.910  1902.98   58.920  120.709   1.8479  118.856   1.8456 1.852455 2.611710 
1 1 1   22    1  -22 o   27.345   1.1645  100.538   8.5527   85.645   11.984  115.997   12.210   25.156   1.7852   29.318   1.5561 -4.161760 2.368216 
1 1 1   22    1  -21 o   58.137   0.9582  454.244   14.962  461.412   21.349  447.325   20.976   58.572   1.3571   57.671   1.3542 0.9008942 1.917125 
1 1 1   22    1  -20 o   44.576   1.3510  267.224   16.175  274.150   22.767  260.165   22.985   45.120   1.8786   43.950   1.9472 1.170364 2.705687 
1 1 1   22    1  -19 o   91.631   1.1030  1128.57   27.146  1139.70   38.526  1117.61   38.257   92.041   1.5584   91.144   1.5627 0.8968887 2.206986 
1 1 1   22    1  -18 o   75.913   1.0036  774.445   20.462  780.943   29.050  768.046   28.827   76.204   1.4193   75.572   1.4202 0.6319046 2.007832 
1 1 1   22    1  -17 o   79.663   1.0188  852.834   21.799  850.927   30.778  854.754   30.878   79.547   1.4406   79.726   1.4420 -0.1785507 2.038258 
1 1 1   22    1  -16 o   50.430   0.9244  341.721   12.522  345.788   17.702  337.647   17.714   50.717   1.2995   50.116   1.3160 0.6011925 1.849481 
1 1 1   22    1  -15 o  150.476   1.5438  3044.97   62.394  3060.17   88.523  3029.95   87.958  150.750   2.1863  150.004   2.1831 0.7456207 3.089649 
1 1 1   22    1  -14 o   69.682   1.1195  652.509   20.952  647.490   25.560  662.789   36.582   69.402   1.3712   70.182   1.9407 -0.7801056 2.376215 
1 1 1   22    1  -13 o   29.074   1.5246  113.961   11.864   93.635   16.405  136.252   17.179   26.265   2.3502   31.756   2.0247 -5.490969 3.102104 
1 1 1   22    1  -12 o   59.388   0.9625  473.864   15.353  478.851   22.615  469.601   20.911   59.685   1.4107   59.109   1.3171 0.5757446 1.929994 
1 1 1   22    1  -11 o   71.752   0.7603  691.579   14.652  692.879   20.672  690.267   20.771   71.810   1.0718   71.675   1.0789 0.1357193 1.520806 
1 1 1   22    1  -10 o   84.341   0.8265  955.564   18.722  958.673   26.527  952.478   26.427   84.466   1.1693   84.192   1.1686 0.2733154 1.653161 
1 1 1   22    1   -9 o   76.114   0.7843  778.212   16.033  783.049   22.698  773.395   22.651   76.341   1.1070   75.869   1.1116 0.4721832 1.568746 
1 1 1   22    1   -8 o   60.521   0.7627  492.003   12.397  483.396   18.517  498.996   16.690   59.981   1.1494   60.944   1.0196 -0.9634056 1.536450 
1 1 1   22    1   -7 o  144.099   1.2600  2790.20   48.767  2807.09   66.181  2770.14   72.139  144.499   1.7052  143.529   1.8713 0.9697723 2.531675 
1 1 1   22    1   -6 o   53.649   0.7353  386.603   10.595  388.655   14.491  384.246   15.531   53.786   1.0031   53.479   1.0813 0.3075523 1.474890 
1 1 1   22    1   -5 o   86.463   0.8419  1004.23   19.551  1003.87   27.672  1004.58   27.628   86.437   1.1919   86.468   1.1896 -0.3030396E-01 1.683988 
1 1 1   22    1   -4 o  138.106   1.1651  2562.64   43.217  2543.98   60.875  2581.61   61.365  137.570   1.6475  138.584   1.6486 -1.013611 2.330687 
1 1 1   22    1   -3 o   90.941   0.9524  1111.00   23.264  1122.07   33.073  1100.15   32.731   91.379   1.3475   90.482   1.3468 0.8970413 1.905167 
1 1 1   22    1   -2 o  111.571   1.0368  1672.32   31.071  1700.70   42.468  1639.64   45.578  112.497   1.4055  110.452   1.5363 2.044769 2.082240 
1 1 1   22    1   -1 o   31.369   0.7848  132.176   6.6120  131.888   9.5156  132.444   9.1943   31.331   1.1307   31.398   1.0902 -0.6638145E-01 1.570736 
1 1 1   22    1    0 o   73.919   0.8157  733.951   16.194  737.355   22.056  729.969   23.854   74.083   1.1085   73.709   1.2049 0.3746567 1.637210 
1 1 1   22    1    1 o   74.579   0.8226  747.122   16.479  775.137   24.841  725.103   22.022   75.954   1.2176   73.465   1.1160 2.489388 1.651721 
1 1 1   22    1    2 o  141.036   1.2393  2672.66   46.948  2671.74   63.573  2673.75   69.627  140.982   1.6789  141.022   1.8382 -0.3987122E-01 2.489513 
1 1 1   22    1    3 o   8.9145   2.1406   11.119   5.0608   11.849   6.8198   10.225   7.5499   9.2653   2.6223   8.8217   2.8203 0.4435549 3.851044 
1 1 1   22    1    4 o   96.957   0.9426  1262.84   24.548  1270.43   36.459  1256.55   33.202   97.230   1.3961   96.702   1.2783 0.5275803 1.892897 
1 1 1   22    1    5 o   63.597   0.8204  543.289   14.014  526.335   21.864  555.113   18.258   62.585   1.3007   64.280   1.0575 -1.694603 1.676322 
1 1 1   22    1    6 o  168.736   1.5120  3826.78   68.527  3748.81   95.740  3908.69   98.128  166.941   2.1352  170.462   2.1432 -3.521591 3.025317 
1 1 1   22    1    7 o  104.236   0.9918  1459.66   27.766  1485.74   41.614  1438.73   37.277  105.140   1.4736  103.470   1.3413 1.669395 1.992666 
1 1 1   22    1    8 o  186.602   1.5755  4680.67   78.965  4687.42  117.226  4675.07  106.841  186.630   2.3386  186.417   2.1338 0.2135010 3.165777 
1 1 1   22    1    9 o   88.128   0.8984  1043.35   21.266  1019.65   31.267  1063.76   29.008   87.104   1.3365   88.974   1.2138 -1.869514 1.805432 
1 1 1   22    1   10 o  160.960   1.3862  3482.13   59.931  3498.66   89.200  3468.54   80.914  161.263   2.0594  160.592   1.8759 0.6714325 2.785694 
1 1 1   22    1   11 o   48.761   0.8197  319.403   10.736  311.027   16.067  326.160   14.431   48.108   1.2434   49.269   1.0905 -1.160336 1.653868 
1 1 1   22    1   12 o   70.336   0.8127  664.589   15.352  650.629   22.710  676.337   20.834   69.580   1.2152   70.946   1.0933 -1.365990 1.634649 
1 1 1   22    1   13 o  111.255   1.0415  1663.18   31.121  1664.73   46.245  1661.89   42.074  111.271   1.5474  111.188   1.4089 0.8347321E-01 2.092664 
1 1 1   22    1   14 o   51.165   0.7602  351.673   10.447  364.349   15.723  341.654   13.978   52.069   1.1243   50.424   1.0321 1.645088 1.526157 
1 1 1   22    1   15 o  119.371   1.0950  1914.94   35.107  1920.58   52.203  1910.27   47.437  119.498   1.6265  119.192   1.4818 0.3061371 2.200219 
1 1 1   22    1   16 o  137.310   1.2196  2534.29   44.979  2522.99   66.618  2543.76   60.975  136.929   1.8114  137.515   1.6508 -0.5856476 2.450779 
1 1 1   22    1   17 o   58.527   0.7846  460.205   12.334  447.982   18.370  470.239   16.643   57.730   1.1847   59.153   1.0475 -1.422504 1.581390 
1 1 1   22    1   18 o   64.790   0.7971  563.979   13.871  546.313   20.427  579.094   18.895   63.750   1.1930   65.641   1.0717 -1.890892 1.603663 
1 1 1   22    1   19 o   67.757   0.8118  616.857   14.773  607.357   21.779  624.953   20.106   67.214   1.2064   68.187   1.0978 -0.9729156 1.631140 
1 1 1   22    1   20 o   49.084   0.8158  323.720   10.755  327.816   15.280  319.699   15.140   49.381   1.1521   48.766   1.1559 0.6152992 1.631983 
1 1 1   22    1   21 o   53.779   0.7369  388.582   10.644  384.133   14.958  393.145   15.150   53.459   1.0418   54.082   1.0429 -0.6233788 1.474101 
1 1 1   22    1   22 o   48.438   0.7434  315.238   9.6713  309.672   13.595  320.939   13.761   47.997   1.0546   48.863   1.0485 -0.8656235 1.487122 
1 1 1   22    1   23 o  125.648   1.0946  2122.46   36.940  2149.87   52.598  2095.78   51.890  126.388   1.5494  124.788   1.5482 1.599739 2.190333 
1 1 1   22    1   24 o   60.951   0.8162  499.223   13.362  500.172   18.900  498.274   18.894   60.989   1.1537   60.873   1.1556 0.1159592 1.632948 
1 1 1   22    1   25 f   43.971   0.7618  259.805   8.9967  260.360   12.726  259.251   12.720   44.005   1.0767   43.911   1.0785 0.9383774E-01 1.524011 
1 1 1   22    1   26 o   68.455   0.7949  629.763   14.615  623.453   20.617  636.136   20.720   68.087   1.1274   68.777   1.1216 -0.6895981 1.590282 
1 1 1   22    1   27 o   50.812   0.8643  347.051   11.795  352.547   17.222  342.194   16.189   51.188   1.2526   50.435   1.1951 0.7529488 1.731249 
1 1 1   22    1   28 o   98.704   1.0145  1310.17   26.896  1318.35   38.178  1302.11   37.896   98.944   1.4366   98.333   1.4348 0.6107330 2.030404 
1 1 1   22    1   29 o   37.878   0.7989  192.865   8.1279  196.956   11.487  188.763   11.502   38.261   1.1178   37.455   1.1434 0.8057976 1.598969 
1 1 1   22    1   30 o   34.120   0.8276  156.518   7.5848  159.156   10.701  153.854   10.752   34.388   1.1586   33.809   1.1841 0.5792160 1.656603 
1 1 1   22    1   31 o   27.069   1.1112   98.618   8.0790   93.065   12.126  103.051   10.834   26.198   1.7330   27.610   1.4662 -1.411406 2.270054 
1 1 1   22    1   32 o   29.170   0.9871  114.486   7.7335  113.285   11.989  115.342   10.121   28.936   1.5482   29.260   1.2878 -0.3234577 2.013767 
1 1 1   22    1   33 o   26.718   0.9553   96.045   6.8553  102.610   9.8338   89.838   9.5617   27.592   1.3269   25.776   1.3862 1.815277 1.918927 
1 1 1   22    1   34 o   15.089   1.5000   31.025   5.9988   27.474   8.3466   34.819   8.6274   14.048   2.2911   15.898   2.0695 -1.850346 3.087403 
1 1 1   22    1   35 o   7.6331   2.5604   7.4720   6.1895   7.1913   8.0294   7.8831   9.7166   7.9717   2.8984   8.5542   3.1752 -0.5825114 4.299171 
1 1 1   22    1   36 o   35.284   0.9410  167.549   8.9174  165.320   11.609  170.759   13.928   35.022   1.2341   35.568   1.4580 -0.5457840 1.910148 
1 1 1   22    1   37 o   67.013   0.8935  604.317   16.083  600.065   20.849  610.566   25.273   66.730   1.1633   67.259   1.3990 -0.5297241 1.819436 
1 1 1   22    1   38 o   34.305   1.0258  158.500   9.4516  156.163   13.196  160.962   13.544   34.003   1.4448   34.520   1.4608 -0.5162582 2.054637 
1 1 1   22    1   39 o   5.9934   2.4267   2.1329   6.0688   17.445   8.5089 -13.7211   8.6580   11.059   2.8475   4.6830   2.2638 6.376242 3.637689 
1 1 1   22    1   40 o   45.193   0.9313  275.048   11.304  274.541   14.169  275.937   18.749   45.115   1.1693   45.156   1.5458 -0.4067993E-01 1.938297 
1 1 1   22    1   41 o   23.531   1.2681   74.991   7.9850   81.338   11.958   69.884   10.727   24.401   1.8381   22.620   1.7800 1.780912 2.558670 
1 1 1   22    1   42 o   29.810   1.0093  119.787   8.0815  112.928   11.255  127.086   11.611   28.850   1.4572   30.651   1.4104 -1.800726 2.027956 
1 1 1   22    1   43 o   42.148   0.9739  239.427   11.026  241.160   16.545  238.042   14.788   42.206   1.4595   41.965   1.3120 0.2414665 1.962492 
1 1 1   22    1   44 o   74.323   0.9280  744.306   18.525  741.051   27.652  746.956   24.953   74.007   1.3911   74.355   1.2495 -0.3477020 1.869832 
1 1 1   22    1   45 o   11.969   2.1852   20.179   6.7663   25.200   9.6392   15.300   9.5004   13.264   2.7939   10.410   3.1379 2.853840 4.201436 
1 1 1   22    1   46 o   24.345   1.1999   80.057   7.8461   76.561   11.174   83.458   11.020   23.663   1.7710   24.735   1.6684 -1.072355 2.433099 
1 1 1   22    1   47 o   19.937   1.5048   54.201   7.9985   63.053   11.912   46.931   10.794   21.367   2.1028   18.370   2.2337 2.997181 3.067771 
1 1 1   22    1   48 o   10.910   2.9925   17.213   9.0326   21.588   14.492   14.433   11.551   12.256   3.9062   10.330   3.4976 1.925834 5.243257 
1 1 1   22    1   49 o   14.886   2.2394   31.193   8.6762   40.786   12.339   21.811   12.203   16.863   2.8240   12.174   3.5277 4.689679 4.518787 
1 1 1   22    1   50 o   8.4488   3.1346   8.3788   9.4670   25.399   12.084 -18.6677   15.233   13.036   3.4116   6.4660   3.0937 6.570282 4.605433 
1 1 1   22    1   51 o   39.176   1.4738  209.430   15.508  209.668   17.213  208.400   35.738   39.125   1.6380   37.516   3.5905 1.608639 3.946509 
1 1 1   22    1   52 o   30.113   1.4808  124.066   11.977  116.591   17.230  131.056   16.661   28.773   2.2473   30.640   2.0361 -1.866558 3.032523 
1 1 1   22    1   53 o   20.133   2.2701   57.788   12.062   24.844   15.811  103.645   18.655   12.538   4.0880   26.786   2.6267 -14.24818 4.859153 
1 1 1   22    1   54 o   5.0820   2.4084  -9.1663   8.7936 -28.6236   11.015   25.022   14.601   4.4037   2.2045   12.461   3.9151 -8.057643 4.493088 
1 1 1   22    2  -50 o   26.710   2.9865  102.906   21.059   0.0000   0.0000  102.906   21.059  ?   ?    26.710   2.9865 0.000000 2.986475 
1 1 1   22    2  -49 o   40.250   1.6328  221.143   17.652  222.732   25.301  219.636   24.641   39.978   2.3668   39.727   2.3193 0.2512207 3.313741 
1 1 1   22    2  -48 o   27.067   1.7178  100.314   12.424  119.445   16.410   74.625   19.016   29.415   2.0907   22.779   3.1961 6.635958 3.819200 
1 1 1   22    2  -47 o   16.471   2.1695   37.835   9.3643   39.373   13.113   36.235   13.377   16.527   3.0670   15.775   3.2649 0.7517080 4.479480 
1 1 1   22    2  -46 o   33.034   1.2727  147.572   11.292  139.190   15.825  156.269   16.119   31.907   1.8546   33.837   1.7799 -1.930023 2.570469 
1 1 1   22    2  -45 o   34.117   1.2392  157.295   11.356  151.781   16.152  162.685   15.969   33.350   1.8099   34.598   1.7185 -1.248142 2.495809 
1 1 1   22    2  -44 o   15.032   2.4460   31.803   9.5356   30.432   12.863   33.475   14.207   14.458   3.3741   15.129   3.5563 -0.6709156 4.902211 
1 1 1   22    2  -43 o   10.700   3.5975   15.417   12.219   29.370   18.279   4.1431   16.430   14.183   4.3682   9.4012   3.9185 4.782085 5.868196 
1 1 1   22    2  -42 o   47.201   1.2070  300.880   15.302  299.247   21.104  302.690   22.221   46.953   1.6734   47.198   1.7528 -0.2449493 2.423396 
1 1 1   22    2  -41 o   10.615   2.9490   16.090   8.7090   19.304   12.860   13.368   11.836   11.708   3.6736   10.182   3.5375 1.525913 5.099899 
1 1 1   22    2  -40 o   8.3160   3.1426   7.1958   9.6056   10.347   12.189   2.0313   15.604   9.5807   3.5563   8.9279   3.7759 0.6527500 5.186960 
1 1 1   22    2  -39 o   25.252   1.4348   86.472   9.6909   88.802   13.564   84.042   13.851   25.476   1.9982   24.755   2.1031 0.7212696 2.900995 
1 1 1   22    2  -38 o   10.104   2.8565   14.422   8.0970   18.009   11.341   10.693   11.564   11.326   3.4316   9.5653   3.4783 1.761110 4.886142 
1 1 1   22    2  -37 o   7.1128   2.8080   3.9891   7.9199   9.2600   11.135  -1.4078   11.267   9.1686   3.3999   7.2029   3.1296 1.965720 4.620975 
1 1 1   22    2  -36 o   14.596   2.0975   29.505   7.9867   25.768   11.160   33.428   11.435   13.421   3.1500   15.379   2.8738 -1.957980 4.263941 
1 1 1   22    2  -35 o   25.932   1.3415   90.944   9.3119   91.787   12.900   90.028   13.455   25.969   1.8618   25.698   1.9643 0.2707214 2.706434 
1 1 1   22    2  -34 o   36.176   1.1643  176.309   11.314  183.055   15.174  167.863   16.978   36.820   1.5343   35.177   1.8029 1.642323 2.367436 
1 1 1   22    2  -33 o   16.021   2.5733   35.812   10.698   46.020   15.613   26.777   14.688   18.019   3.3493   13.698   3.8385 4.320836 5.094254 
1 1 1   22    2  -32 o   44.977   1.0180  272.265   12.298  265.460   17.483  278.930   17.303   44.360   1.4674   45.478   1.4165 -1.118488 2.039557 
1 1 1   22    2  -31 o   66.776   1.0076  600.030   18.072  610.568   25.572  589.517   25.543   67.295   1.4148   66.121   1.4383 1.174591 2.017487 
1 1 1   22    2  -30 o   50.570   0.9860  344.045   13.393  346.142   19.188  342.053   18.701   50.677   1.4097   50.381   1.3820 0.2967110 1.974158 
1 1 1   22    2  -29 o   20.327   2.0767   56.455   11.179   54.048   16.222   58.632   15.426   19.659   3.1808   20.564   2.8712 -0.9048672 4.285028 
1 1 1   22    2  -28 o   73.171   1.0200  720.159   20.046  722.104   28.256  718.190   28.442   73.214   1.4369   73.013   1.4504 0.2008209 2.041629 
1 1 1   22    2  -27 o   15.530   1.8609   33.003   7.6078   27.204   10.527   39.343   11.008   13.898   2.9131   16.865   2.5063 -2.966493 3.842840 
1 1 1   22    2  -26 o   8.5597   2.6836   9.8240   6.8645   4.8844   9.6363   14.913   9.7810   7.8901   3.1029   10.454   3.1912 -2.563943 4.451063 
1 1 1   22    2  -25 o   62.320   0.9678  522.135   16.199  492.206   22.541  554.098   23.295   60.473   1.3878   64.166   1.3517 -3.693165 1.937246 
1 1 1   22    2  -24 o   37.516   1.0101  189.219   10.179  198.230   14.592  180.678   14.206   38.379   1.4155   36.639   1.4435 1.740040 2.021773 
1 1 1   22    2  -23 f   33.815   1.0304  153.726   9.3589  151.892   13.080  155.650   13.397   33.596   1.4495   34.008   1.4667 -0.4122963 2.062095 
1 1 1   22    2  -22 o   90.538   1.0934  1102.06   26.590  1132.62   38.092  1073.02   37.134   91.733   1.5460   89.287   1.5484 2.446548 2.188097 
1 1 1   22    2  -21 o   78.997   1.0263  838.851   21.775  857.909   31.036  820.376   30.558   79.852   1.4471   78.085   1.4570 1.767296 2.053511 
1 1 1   22    2  -20 o  136.421   1.4331  2503.67   52.510  2483.18   73.886  2524.58   74.640  135.744   2.0265  136.870   2.0304 -1.126007 2.868659 
1 1 1   22    2  -19 o   51.465   1.3457  356.216   18.601  349.321   26.068  363.369   26.551   50.927   1.9058   51.941   1.9032 -1.014103 2.693317 
1 1 1   22    2  -18 o   54.715   1.0870  402.405   15.975  399.191   19.649  408.672   27.438   54.483   1.3427   55.091   1.8543 -0.6085625 2.289369 
1 1 1   22    2  -17 o   80.432   1.0249  869.477   22.142  882.926   31.472  856.294   31.158   81.021   1.4462   79.789   1.4539 1.231941 2.050694 
1 1 1   22    2  -16 o  107.541   1.2038  1554.70   34.770  1591.02   49.705  1519.90   48.657  108.736   1.7019  106.277   1.7046 2.458534 2.408733 
1 1 1   22    2  -15 o   53.667   0.9283  387.008   13.381  389.937   19.031  384.144   18.817   53.854   1.3157   53.453   1.3107 0.4012566 1.857108 
1 1 1   22    2  -14 o   79.742   1.0180  854.502   21.804  851.018   30.764  858.018   30.908   79.554   1.4398   79.880   1.4406 -0.3264236 2.036710 
1 1 1   22    2  -13 o   60.712   1.0145  495.300   16.544  491.719   21.604  500.377   25.724   60.479   1.3300   60.997   1.5701 -0.5177383 2.057698 
1 1 1   22    2  -12 o   54.470   0.8017  398.589   11.728  397.262   14.422  401.179   20.153   54.374   0.9875   54.628   1.3735 -0.2537003 1.691656 
1 1 1   22    2  -11 f   36.590   0.7540  179.848   7.4101  174.492   11.070  184.196   9.9741   36.034   1.1438   37.025   1.0030 -0.9913635 1.521266 
1 1 1   22    2  -10 o   36.289   0.7404  176.905   7.2172  175.485   11.017  177.972   9.5521   36.137   1.1351   36.395   0.9772 -0.2582016 1.497750 
1 1 1   22    2   -9 o   71.145   0.7905  679.951   15.106  690.497   22.396  671.147   20.462   71.682   1.1632   70.674   1.0780 1.008316 1.585903 
1 1 1   22    2   -8 o  105.703   1.0479  1501.25   29.750  1503.66   42.127  1498.86   42.019  105.761   1.4830  105.592   1.4816 0.1687393 2.096257 
1 1 1   22    2   -7 o   62.517   0.7327  524.997   12.303  526.514   17.415  523.486   17.384   62.600   1.0358   62.419   1.0369 0.1802597 1.465596 
1 1 1   22    2   -6 o   47.441   0.7054  302.314   8.9887  301.111   12.654  303.538   12.771   47.341   0.9952   47.532   1.0003 -0.1903076 1.411019 
1 1 1   22    2   -5 o   79.953   0.8447  858.725   18.139  861.765   24.567  855.080   26.896   80.084   1.1421   79.769   1.2554 0.3157043 1.697158 
1 1 1   22    2   -4 o   21.478   0.9926   61.978   5.7262   64.030   8.6292   60.364   7.6544   21.775   1.4843   21.150   1.3546 0.6253757 2.009443 
1 1 1   22    2   -3 o   47.099   0.8213  297.988   10.389  294.237   15.653  300.941   13.890   46.793   1.2454   47.327   1.0927 -0.5334282 1.656823 
1 1 1   22    2   -2 o  109.914   1.0245  1623.10   30.244  1626.96   41.089  1618.55   44.680  110.026   1.3904  109.733   1.5160 0.2928085 2.057013 
1 1 1   22    2   -1 o  126.888   1.0909  2163.24   37.180  2146.61   52.375  2180.12   52.787  126.370   1.5431  127.353   1.5432 -0.9824066 2.182353 
1 1 1   22    2    0 o   27.621   0.8246  102.483   6.1172   98.259   8.7500  106.521   8.5554   27.042   1.2047   28.157   1.1313 -1.114889 1.652610 
1 1 1   22    2    1 o  102.134   0.9349  1401.36   25.646  1405.28   36.322  1397.46   36.217  102.259   1.3224  101.975   1.3223 0.2845535 1.870096 
1 1 1   22    2    2 o   57.752   0.7607  448.021   11.799  450.647   17.604  445.879   15.899   57.913   1.1317   57.609   1.0275 0.3046761 1.528595 
1 1 1   22    2    3 o   70.324   0.8037  664.322   15.181  677.087   20.703  649.476   22.326   70.989   1.0858   69.523   1.1956 1.465912 1.615075 
1 1 1   22    2    4 o   19.693   1.1003   52.272   5.7968   47.503   7.7083   58.479   8.7945   18.735   1.5456   20.796   1.5864 -2.061668 2.214898 
1 1 1   22    2    5 o   50.359   0.8358  340.674   11.304  328.084   16.705  351.310   15.354   49.411   1.2587   51.133   1.1180 -1.722576 1.683521 
1 1 1   22    2    6 o   44.276   0.8067  263.340   9.5938  260.187   13.636  266.430   13.501   44.004   1.1537   44.529   1.1288 -0.5253487 1.614081 
1 1 1   22    2    7 o  131.339   1.1227  2317.87   39.606  2293.37   55.677  2342.97   56.353  130.607   1.5871  132.012   1.5893 -1.404404 2.246088 
1 1 1   22    2    8 o  156.432   1.2951  3288.83   54.416  3340.11   77.693  3239.45   76.241  157.586   1.8356  155.194   1.8290 2.391922 2.591262 
1 1 1   22    2    9 o   21.744   1.0344   63.528   6.0411   55.921   9.1502   69.405   8.0432   20.322   1.6917   22.685   1.3258 -2.363108 2.149374 
1 1 1   22    2   10 o   32.946   0.8585  145.820   7.5966  157.167   11.911  138.039   9.8629   34.195   1.2968   32.050   1.1457 2.145386 1.730456 
1 1 1   22    2   11 f   48.933   0.8253  321.681   10.847  304.797   16.196  335.413   14.606   47.620   1.2662   49.960   1.0885 -2.339874 1.669782 
1 1 1   22    2   12 o   69.409   0.8097  647.214   15.094  650.615   22.570  644.461   20.303   69.576   1.2077   69.251   1.0915 0.3247299 1.627918 
1 1 1   22    2   13 o   83.399   0.8765  934.496   19.633  920.492   28.970  946.393   26.701   82.749   1.3034   83.913   1.1847 -1.163322 1.761366 
1 1 1   22    2   14 o   20.155   1.1194   54.762   6.0359   62.492   9.0065   48.460   8.1323   21.498   1.5707   18.912   1.6165 2.586052 2.253896 
1 1 1   22    2   15 o  134.751   1.2013  2440.81   43.480  2416.24   64.166  2461.68   59.123  133.995   1.7829  135.273   1.6273 -1.277283 2.413853 
1 1 1   22    2   16 o  115.066   1.0700  1779.49   33.070  1779.68   49.129  1779.33   44.718  115.017   1.5903  115.023   1.4474 -0.5889893E-02 2.150393 
1 1 1   22    2   17 o   83.310   0.8788  932.614   19.664  938.622   29.324  927.705   26.507   83.549   1.3067   83.071   1.1880 0.4783249 1.766047 
1 1 1   22    2   18 o   43.673   0.7883  256.275   9.2473  241.291   13.585  269.211   12.623   42.364   1.1939   44.754   1.0501 -2.389473 1.590032 
1 1 1   22    2   19 o   31.434   0.9825  132.804   8.2949  128.363   12.746  136.067   10.925   30.887   1.5364   31.810   1.2787 -0.9227047 1.998911 
1 1 1   22    2   20 o   48.820   0.7426  320.230   9.7379  308.300   13.623  332.693   13.924   47.891   1.0591   49.750   1.0421 -1.859211 1.485810 
1 1 1   22    2   21 o   37.571   0.7724  189.668   7.7944  192.286   10.999  187.028   11.047   37.820   1.0828   37.298   1.1027 0.5213432 1.545445 
1 1 1   22    2   22 o   85.857   0.8614  990.628   19.865  963.186   27.694  1019.71   28.510   84.630   1.2184   87.077   1.2190 -2.447769 1.723455 
1 1 1   22    2   23 f   43.244   0.7800  251.292   9.0603  256.044   13.017  246.827   12.618   43.638   1.1106   42.846   1.0965 0.7919846 1.560699 
1 1 1   22    2   24 o   52.049   0.7985  364.064   11.164  364.071   15.744  364.057   15.831   52.032   1.1266   52.030   1.1328 0.1426697E-02 1.597665 
1 1 1   22    2   25 o   19.376   1.1262   50.662   5.8356   55.611   8.1215   45.380   8.3907   20.268   1.5026   18.270   1.7305 1.997696 2.291831 
1 1 1   22    2   26 o   27.380   0.9198  100.786   6.7643  103.975   9.6059   97.650   9.5268   27.796   1.2866   26.936   1.3168 0.8600025 1.841036 
1 1 1   22    2   27 o   19.560   1.1956   51.675   6.2510   48.041   9.2447   54.736   8.4846   18.779   1.8572   20.092   1.5851 -1.313089 2.441659 
1 1 1   22    2   28 o   36.715   0.9570  181.282   9.4371  179.502   14.400  182.621   12.494   36.500   1.4689   36.832   1.2630 -0.3314362 1.937179 
1 1 1   22    2   29 o   48.005   0.8227  309.825   10.608  322.307   16.037  300.113   14.145   48.929   1.2203   47.224   1.1152 1.705029 1.653100 
1 1 1   22    2   30 o   18.132   1.2817   44.504   6.2019   48.538   8.6829   40.303   8.8616   18.882   1.7314   17.155   1.9583 1.726881 2.613933 
1 1 1   22    2   31 o   18.826   1.3355   48.001   6.7091   50.490   9.3147   45.318   9.6717   19.242   1.8240   18.189   2.0135 1.053404 2.716835 
1 1 1   22    2   32 o   23.602   1.0377   74.977   6.5782   70.173   9.0290   80.412   9.6036   22.758   1.4852   24.370   1.4741 -1.611795 2.092589 
1 1 1   22    2   33 o   23.186   1.0495   72.371   6.5355   78.396   9.0721   65.871   9.4232   24.067   1.4096   22.027   1.6038 2.040377 2.135170 
1 1 1   22    2   34 o   41.042   0.8652  226.607   9.5379  226.293   13.293  226.939   13.693   40.980   1.2077   41.034   1.2424 -0.5435181E-01 1.732660 
1 1 1   22    2   35 o   47.632   0.8496  305.221   10.870  303.584   14.410  307.384   16.557   47.472   1.1301   47.745   1.2911 -0.2736130 1.715870 
1 1 1   22    2   36 o   6.4668   2.5562   3.2037   6.5712   8.3423   9.1910  -2.1695   9.3985   8.5337   3.1013   6.4342   2.8255 2.099452 4.195354 
1 1 1   22    2   37 o   21.429   1.3320   62.207   7.6289   58.524   9.4339   69.166   12.969   20.723   1.7102   22.447   2.1785 -1.723310 2.769546 
1 1 1   22    2   38 o   29.063   1.0560  113.811   8.2435  120.426   10.824  104.674   12.721   29.865   1.3494   27.746   1.7154 2.118965 2.182497 
1 1 1   22    2   39 o   25.102   1.0898   84.947   7.3476   86.595   10.146   83.129   10.655   25.258   1.5024   24.725   1.6132 0.5326004 2.204445 
1 1 1   22    2   40 o   5.8180   2.5014  -0.3512   7.0480   1.9813   9.5625  -3.1254   10.429   7.1965   2.9937   6.6347   2.9420 0.5618124 4.197323 
1 1 1   22    2   41 o   19.389   1.4533   51.161   7.5134   49.639   11.093   52.450   10.213   18.931   2.2239   19.527   1.9744 -0.5961113 2.973853 
1 1 1   22    2   42 o   41.506   0.9310  232.127   10.379  247.752   15.494  219.409   13.978   42.802   1.3477   40.291   1.2916 2.511269 1.866744 
1 1 1   22    2   43 o   66.502   0.9138  595.878   16.323  600.410   22.976  591.261   23.194   66.649   1.2835   66.132   1.3058 0.5172424 1.830976 
1 1 1   22    2   44 o   26.820   1.1146   97.076   8.0290   98.614   11.309   95.513   11.401   26.922   1.5707   26.485   1.6104 0.4366779 2.249570 
1 1 1   22    2   45 o   7.8812   2.8114   7.5036   7.5122  -6.0375   11.844   16.618   9.7168   6.7082   3.0416   10.791   3.1540 -4.082506 4.381649 
1 1 1   22    2   46 o   11.599   2.3674   19.140   7.1259   18.083   10.155   20.166   10.002   11.209   3.2095   11.798   3.1117 -0.5886269 4.470288 
1 1 1   22    2   47 o   16.021   2.0249   35.657   8.5189   26.312   11.851   45.650   12.255   13.401   3.3115   17.981   2.6140 -4.579590 4.218868 
1 1 1   22    2   48 o   47.000   1.0049  298.253   12.686  302.975   17.874  293.460   18.008   47.249   1.4085   46.490   1.4422 0.7596054 2.015843 
1 1 1   22    2   49 o   25.940   1.5228   91.957   10.563   87.909   13.427   98.532   17.112   25.203   1.9999   26.510   2.4302 -1.306871 3.147320 
1 1 1   22    2   50 o   19.486   1.7909   52.565   9.2680   57.009   12.794   47.658   13.444   20.061   2.4236   18.137   2.8540 1.923445 3.744255 
1 1 1   22    2   51 o   8.8959   3.2105   10.264   9.8252   10.828   11.805   8.9941   17.726   9.3429   3.4935   10.027   4.1140 -0.6838722 5.397218 
1 1 1   22    2   52 o   25.033   1.5911   86.490   10.642   87.285   14.108   85.440   16.211   24.886   2.1312   24.402   2.5092 0.4838448 3.292101 
1 1 1   22    2   53 f   8.8025   3.0578   10.847   8.8438   13.999   11.192   5.6059   14.431   9.8407   3.4387   8.7343   3.6591 1.106385 5.021312 
1 1 1   22    3  -49 o   17.162   3.9166   45.171   17.655   0.0000   0.0000   45.171   17.655  ?   ?    17.162   3.9166 0.000000 3.916554 
1 1 1   22    3  -48 o   25.792   2.1153   92.288   14.525   82.940   20.925  100.981   20.178   23.876   3.3556   26.645   2.8646 -2.768888 4.411982 
1 1 1   22    3  -47 o   46.244   1.2937  289.692   16.068  291.166   19.783  286.834   27.544   46.258   1.5923   45.618   2.2480 0.6399460 2.754800 
1 1 1   22    3  -46 o   21.909   1.7145   65.730   10.009   54.654   13.800   78.022   14.538   19.683   2.6799   23.704   2.3128 -4.020933 3.539882 
1 1 1   22    3  -45 o   10.206   3.0684   14.754   9.0932   24.313   12.937   5.4208   12.783   12.897   3.5984   8.7056   3.5230 4.191165 5.035844 
1 1 1   22    3  -44 o   10.589   2.9676   16.060   8.7789   7.0119   12.286   25.498   12.548   8.8901   3.5013   13.213   3.4855 -4.323286 4.940390 
1 1 1   22    3  -43 o   11.740   3.2354   19.908   10.529   18.134   12.770   23.674   18.608   11.393   3.6706   13.060   4.4393 -1.666746 5.760224 
1 1 1   22    3  -42 o   22.210   1.9593   67.763   11.568   64.087   19.853   69.652   14.234   21.037   3.6458   22.397   2.4039 -1.360193 4.367004 
1 1 1   22    3  -41 o   39.700   1.2589  212.969   13.424  215.284   18.429  210.352   19.593   39.808   1.7236   39.314   1.8555 0.4943542 2.532526 
1 1 1   22    3  -40 o   29.843   1.5018  120.909   12.000  135.628   20.572  113.319   14.773   31.336   2.4641   28.789   1.9216 2.546856 3.124753 
1 1 1   22    3  -39 o   24.301   1.6956   80.483   10.998   78.131   13.311   85.542   19.522   23.848   2.0995   24.685   3.0065 -0.8369713 3.667007 
1 1 1   22    3  -38 o   24.774   1.4537   83.267   9.6303   90.070   13.698   76.618   13.542   25.656   2.0037   23.614   2.1590 2.042454 2.945543 
1 1 1   22    3  -37 o   24.180   1.4428   79.282   9.3271   78.655   13.074   79.931   13.311   23.966   2.0507   24.156   2.0716 -0.1901894 2.914970 
1 1 1   22    3  -36 o   36.469   1.1093  179.225   10.866  178.730   15.245  179.736   15.491   36.358   1.5611   36.456   1.5820 -0.9890366E-01 2.222570 
1 1 1   22    3  -35 o   43.669   1.0591  256.855   12.422  250.143   17.286  264.022   17.863   43.032   1.4956   44.208   1.5044 -1.176083 2.121279 
1 1 1   22    3  -34 o   21.388   1.5112   62.084   8.6253   62.982   12.218   61.191   12.178   21.429   2.1518   21.114   2.1788 0.3157597 3.062251 
1 1 1   22    3  -33 o   15.058   2.2031   31.426   8.6468   52.840   11.597   4.6169   12.976   19.596   2.2437   8.7190   3.5420 10.87734 4.192883 
1 1 1   22    3  -32 o   41.330   1.3694  230.377   15.202  216.444   22.843  241.453   20.367   39.884   2.1402   42.248   1.7949 -2.364132 2.793207 
1 1 1   22    3  -31 o   58.435   0.9881  459.529   15.508  450.319   21.614  469.302   22.265   57.786   1.3926   58.990   1.4052 -1.203194 1.978362 
1 1 1   22    3  -30 o   65.525   1.0044  577.766   17.678  556.091   24.611  600.868   25.408   64.217   1.4269   66.755   1.4171 -2.537262 2.010985 
1 1 1   22    3  -29 o   25.845   1.2909   89.987   8.9615   96.468   12.653   83.463   12.695   26.665   1.7768   24.771   1.9231 1.893820 2.618272 
1 1 1   22    3  -28 f   70.860   1.4162  676.655   26.955  689.760   38.608  664.193   37.649   71.418   2.0127   70.085   2.0000 1.333038 2.837451 
1 1 1   22    3  -27 o   32.149   1.0956  139.060   9.4605  137.253   13.196  140.971   13.570   31.910   1.5397   32.337   1.5623 -0.4275246 2.193546 
1 1 1   22    3  -26 o   16.530   1.7600   37.267   7.6936   44.377   10.962   30.365   10.801   17.962   2.3268   14.711   2.8363 3.251330 3.668556 
1 1 1   22    3  -25 o   7.8894   2.7477   7.5414   7.1431   12.410   9.9581   2.3809   10.252   9.7903   3.2468   7.5698   3.1200 2.220549 4.502903 
1 1 1   22    3  -24 o   28.495   1.1487  109.217   8.7913  119.849   12.390   98.438   12.476   29.790   1.5539   26.970   1.7314 2.819672 2.326422 
1 1 1   22    3  -23 o   49.036   0.9506  323.250   12.520  335.796   17.772  310.887   17.642   49.955   1.3245   48.064   1.3666 1.891502 1.903101 
1 1 1   22    3  -22 o   9.1867   2.6653   11.645   6.9619   9.4437   9.5551   14.136   10.164   8.9558   3.1733   10.294   3.2704 -1.338373 4.556869 
1 1 1   22    3  -21 o   34.961   1.0213  164.319   9.5902  145.868   13.602  182.557   13.523   32.919   1.5384   36.836   1.3669 -3.916889 2.057916 
1 1 1   22    3  -20 o   16.652   1.6665   37.706   7.3535   36.206   10.271   39.283   10.532   16.197   2.4364   16.894   2.3877 -0.6962128 3.411370 
1 1 1   22    3  -19 o   40.938   0.9571  225.252   10.523  210.933   14.980  239.206   14.787   39.597   1.4085   42.172   1.3055 -2.575577 1.920416 
1 1 1   22    3  -18 o   29.928   1.4093  120.495   11.329  118.573   17.405  121.907   14.922   29.571   2.2073   30.027   1.8594 -0.4561520 2.886069 
1 1 1   22    3  -17 o   83.264   1.3241  932.392   29.611  910.603   37.809  966.955   47.621   82.246   1.7116   84.702   2.0932 -2.456375 2.703883 
1 1 1   22    3  -16 f   58.731   1.0855  463.651   17.124  468.863   20.949  453.159   29.724   59.047   1.3209   58.006   1.9078 1.040203 2.320510 
1 1 1   22    3  -15 o   52.425   0.9259  369.337   13.038  362.050   18.260  376.915   18.623   51.889   1.3102   52.944   1.3096 -1.054558 1.852460 
1 1 1   22    3  -14 o   64.955   0.9474  566.969   16.529  560.827   23.337  573.152   23.414   64.581   1.3454   65.287   1.3352 -0.7063980 1.895510 
1 1 1   22    3  -13 o   28.287   0.9320  107.518   7.0810  110.544   8.9166  102.351   11.651   28.677   1.1576   27.538   1.5819 1.139286 1.960227 
1 1 1   22    3  -12 o   72.640   0.7986  708.912   15.581  723.692   21.277  691.822   22.880   73.381   1.0796   71.741   1.1874 1.639633 1.604802 
1 1 1   22    3  -11 o   56.654   0.7631  431.193   11.612  418.731   14.991  449.887   18.361   55.822   0.9999   57.854   1.1816 -2.032349 1.547883 
1 1 1   22    3  -10 o   58.189   0.7371  454.871   11.520  446.442   15.663  464.803   17.002   57.640   1.0117   58.811   1.0764 -1.171062 1.477200 
1 1 1   22    3   -9 o   75.838   0.8659  772.711   17.637  747.250   27.819  789.823   22.806   74.553   1.3893   76.663   1.1076 -2.109520 1.776749 
1 1 1   22    3   -8 o   59.923   0.8324  482.403   13.397  490.042   19.712  475.847   18.262   60.383   1.2154   59.504   1.1427 0.8781776 1.668231 
1 1 1   22    3   -7 o   47.604   0.8061  304.435   10.306  301.170   15.139  307.256   14.070   47.338   1.1907   47.817   1.0955 -0.4786148 1.617980 
1 1 1   22    3   -6 f   60.536   0.8777  492.338   14.271  505.916   20.300  479.068   20.067   61.354   1.2319   59.703   1.2514 1.650894 1.755993 
1 1 1   22    3   -5 o   30.757   0.7994  127.085   6.6040  118.576   9.1087  136.513   9.5886   29.705   1.1417   31.873   1.1201 -2.168058 1.599352 
1 1 1   22    3   -4 o   40.693   0.7792  222.449   8.5161  231.411   12.274  214.132   11.825   41.499   1.1012   39.919   1.1029 1.579407 1.558553 
1 1 1   22    3   -3 o   47.755   0.7122  306.340   9.1349  320.132   13.098  293.276   12.747   48.812   0.9990   46.720   1.0158 2.092617 1.424738 
1 1 1   22    3   -2 o  116.124   1.0210  1811.82   31.844  1814.77   45.072  1808.89   44.997  116.189   1.4443  116.001   1.4442 0.1885452 2.042464 
1 1 1   22    3   -1 o   59.863   0.7299  481.378   11.736  486.331   16.713  476.561   16.483   60.163   1.0343   59.555   1.0304 0.6073074 1.459975 
1 1 1   22    3    0 o  125.959   1.0853  2131.85   36.719  2119.29   51.771  2144.55   52.088  125.553   1.5352  126.299   1.5355 -0.7459335 2.171293 
1 1 1   22    3    1 o   63.484   0.7446  541.388   12.697  529.486   17.810  553.689   18.106   62.774   1.0563   64.193   1.0501 -1.418919 1.489465 
1 1 1   22    3    2 o   32.302   0.8227  140.170   7.1379  135.713   10.827  143.597   9.4932   31.777   1.2685   32.691   1.0812 -0.9133968 1.666742 
1 1 1   22    3    3 o   60.948   0.7704  498.999   12.612  504.254   18.869  494.754   16.956   61.257   1.1468   60.681   1.0404 0.5764160 1.548384 
1 1 1   22    3    4 o   69.861   0.8536  655.667   16.016  649.261   22.636  662.090   22.665   69.506   1.2125   70.190   1.2022 -0.6837845 1.707494 
1 1 1   22    3    5 o  112.288   1.0987  1694.30   33.137  1692.56   42.676  1696.95   52.585  112.208   1.4160  112.325   1.7430 -0.1165543 2.245691 
1 1 1   22    3    6 f   57.657   0.7602  446.569   11.773  443.367   17.397  449.275   15.991   57.439   1.1277   57.824   1.0296 -0.3845253 1.527006 
1 1 1   22    3    7 o   34.794   0.7694  162.630   7.1904  158.433   10.147  166.863   10.191   34.336   1.1003   35.238   1.0767 -0.9021034 1.539427 
1 1 1   22    3    8 o   91.663   0.8777  1128.83   21.609  1104.59   30.271  1154.03   30.858   90.654   1.2432   92.661   1.2399 -2.006958 1.755817 
1 1 1   22    3    9 o   96.050   0.9041  1239.52   23.323  1240.47   33.040  1238.57   32.928   96.064   1.2805   95.991   1.2772 0.7330322E-01 1.808541 
1 1 1   22    3   10 o   89.777   0.9976  1083.05   24.055  1097.38   36.441  1071.99   32.024   90.336   1.5019   89.297   1.3352 1.038605 2.009600 
1 1 1   22    3   11 o   60.994   0.7849  499.811   12.858  509.997   19.296  491.675   17.244   61.599   1.1663   60.486   1.0615 1.112259 1.576978 
1 1 1   22    3   12 o   12.381   1.6567   20.990   5.3713   7.7113   7.9745   32.017   7.2672   8.1543   2.8979   15.320   1.8005 -7.165443 3.411669 
1 1 1   22    3   13 o   69.798   0.8157  654.557   15.292  653.061   22.706  655.798   20.686   69.700   1.2129   69.851   1.1026 -0.1519318 1.639136 
1 1 1   22    3   14 o  107.867   1.0228  1563.74   29.633  1543.99   43.700  1580.54   40.318  107.136   1.5186  108.412   1.3846 -1.275597 2.055090 
1 1 1   22    3   15 o   65.395   0.8045  574.599   14.130  583.270   21.102  567.552   19.025   65.868   1.1928   64.980   1.0901 0.8878784 1.615831 
1 1 1   22    3   16 f  136.418   1.2151  2502.13   44.522  2510.53   66.229  2495.20   60.139  136.552   1.8058  136.164   1.6444 0.3878326 2.442273 
1 1 1   22    3   17 o   23.993   0.9916   77.373   6.3903   76.883   9.5613   77.768   8.5910   23.858   1.4997   24.009   1.3375 -0.1514969 2.009505 
1 1 1   22    3   18 o   24.883   1.1204   83.239   7.4882   79.661   11.220   86.112   10.055   24.263   1.7331   25.255   1.4890 -0.9918022 2.284891 
1 1 1   22    3   19 o  109.790   1.0393  1620.34   30.648  1609.40   45.332  1629.55   41.595  109.355   1.5434  110.058   1.4071 -0.7021179 2.088536 
1 1 1   22    3   20 o   53.704   0.7903  387.553   11.399  385.703   16.969  389.075   15.388   53.557   1.1797   53.797   1.0650 -0.2400360 1.589270 
1 1 1   22    3   21 o   5.7397   2.2571   2.5200   5.0984  -3.2307   7.1313   8.5328   7.2919   5.3635   2.4019   8.2314   2.7790 -2.867908 3.673181 
1 1 1   22    3   22 o   49.528   0.7842  329.642   10.432  310.954   15.289  345.917   14.269   48.084   1.1839   50.723   1.0473 -2.639282 1.580643 
1 1 1   22    3   23 o   33.946   0.9030  154.897   8.2334  162.295   12.292  148.877   11.088   34.730   1.3178   33.267   1.2410 1.463039 1.810109 
1 1 1   22    3   24 o   34.913   0.8665  163.839   8.1254  148.606   11.873  177.260   11.144   33.230   1.3302   36.302   1.1429 -3.072609 1.753799 
1 1 1   22    3   25 o   65.255   0.8155  572.347   14.293  576.580   21.082  568.747   19.443   65.462   1.1990   65.025   1.1133 0.4377594 1.636140 
1 1 1   22    3   26 o   52.974   0.7939  377.200   11.297  385.522   16.626  370.063   15.396   53.528   1.1564   52.449   1.0929 1.078831 1.591148 
1 1 1   22    3   27 o   44.792   0.7967  269.715   9.5848  273.475   14.050  266.440   13.109   45.078   1.1604   44.500   1.0968 0.5785675 1.596693 
1 1 1   22    3   28 f   5.3122   2.2220   0.6673   5.3089  -3.0862   7.3331   4.8015   7.6960   5.4659   2.4426   7.2698   2.7971 -1.803875 3.713535 
1 1 1   22    3   29 o   24.030   1.0158   77.699   6.5562   65.748   8.9005   91.877   9.6942   22.028   1.5135   26.072   1.3893 -4.044420 2.054515 
1 1 1   22    3   30 o   8.3235   2.5271   9.4761   6.1458   14.693   8.3845   3.4185   9.0349   10.242   2.9107   7.3637   2.9681 2.877869 4.157193 
1 1 1   22    3   31 o   40.272   0.8608  218.153   9.3116  217.917   12.791  218.419   13.582   40.222   1.1840   40.261   1.2560 -0.3881073E-01 1.726072 
1 1 1   22    3   32 o   38.754   0.8827  202.055   9.1886  201.764   12.023  202.463   14.247   38.702   1.1566   38.746   1.3691 -0.4350662E-01 1.792227 
1 1 1   22    3   33 o   44.944   0.8148  271.702   9.8358  260.149   13.482  284.849   14.381   43.945   1.1422   45.981   1.1645 -2.036087 1.631155 
1 1 1   22    3   34 o   15.359   1.7201   32.304   6.9742   37.699   9.3079   25.398   10.531   16.527   2.1476   13.348   3.0092 3.178464 3.696990 
1 1 1   22    3   35 o   49.024   0.9006  323.441   11.859  321.791   16.477  325.214   17.082   48.849   1.2558   49.102   1.2952 -0.2527237 1.804039 
1 1 1   22    3   36 o   40.273   0.8449  218.251   9.1393  215.962   12.667  220.736   13.199   40.024   1.1783   40.459   1.2146 -0.4350739 1.692275 
1 1 1   22    3   37 o   45.551   0.8704  279.277   10.649  280.886   14.016  277.081   16.377   45.644   1.1433   45.300   1.3460 0.3443527 1.766010 
1 1 1   22    3   38 o   52.063   0.8698  364.910   12.162  368.949   16.067  359.489   18.613   52.304   1.1437   51.588   1.3433 0.7162819 1.764233 
1 1 1   22    3   39 o   40.076   0.9906  216.429   10.663  215.805   14.276  217.216   16.035   39.963   1.3300   40.061   1.4903 -0.9882736E-01 1.997475 
1 1 1   22    3   40 o   22.668   1.2741   69.641   7.7260   69.779   10.008   69.438   12.154   22.620   1.6588   22.478   2.0353 0.1418419 2.625664 
1 1 1   22    3   41 o   36.739   0.9543  181.913   9.4171  179.141   12.389  185.708   14.493   36.409   1.2668   37.033   1.4571 -0.6241913 1.930794 
1 1 1   22    3   42 o   42.124   0.9268  239.122   10.486  233.283   14.536  245.456   15.140   41.537   1.3029   42.603   1.3231 -1.065449 1.856946 
1 1 1   22    3   43 o   25.553   1.3062   88.519   8.9347   93.068   14.815   85.919   11.201   26.001   2.1404   25.098   1.6711 0.9031048 2.715524 
1 1 1   22    3   44 o   34.755   0.9819  162.860   9.1661  164.768   13.090  161.025   12.839   34.887   1.3970   34.491   1.3859 0.3963699 1.967819 
1 1 1   22    3   45 o   15.681   1.7420   33.848   7.2128   24.663   9.9660   43.953   10.452   13.073   2.9128   17.768   2.2399 -4.695440 3.674478 
1 1 1   22    3   46 o   4.6666   2.1972  -7.4784   7.1023  -2.5085   10.345 -11.9089   9.7679   6.6615   2.9432   5.2772   2.5117 1.384304 3.869279 
1 1 1   22    3   47 o   39.293   1.2529  209.041   13.223  196.546   18.157  223.152   19.295   37.944   1.7816   40.432   1.7767 -2.488495 2.516112 
1 1 1   22    3   48 o   44.964   1.0112  273.176   12.212  270.326   16.848  276.331   17.727   44.602   1.4063   45.073   1.4643 -0.4704628 2.030277 
1 1 1   22    3   49 o   10.548   2.9993   16.328   8.9001   12.581   11.538   21.832   13.985   9.7656   3.4842   12.105   3.8350 -2.339642 5.181431 
1 1 1   22    3   50 o   8.3215   3.0053   8.7787   8.6112   4.3089   11.849   13.782   12.536   8.0958   3.3471   10.099   3.6287 -2.003323 4.936671 
1 1 1   22    3   51 o   31.207   1.1866  132.478   9.9458  159.538   13.501  100.366   14.707   34.128   1.4729   26.749   2.0630 7.378948 2.534825 
1 1 1   22    3   52 o   22.431   1.5920   69.690   9.5294   57.052   12.006   91.204   15.665   19.965   2.2798   25.257   2.3357 -5.291584 3.263883 
1 1 1   22    3   53 o   29.911   1.7350  124.847   13.879  149.351   18.751   95.161   20.639   32.388   2.1680   25.060   3.1348 7.327995 3.811501 
1 1 1   22    4  -49 o   16.678   5.7998   48.050   31.820   0.0000   0.0000   48.050   31.820  ?   ?    16.678   5.7998 0.000000 5.799844 
1 1 1   22    4  -48 o   32.719   2.5730  151.047   22.429   0.0000   0.0000  151.047   22.429  ?   ?    32.719   2.5730 0.000000 2.572993 
1 1 1   22    4  -47 o   20.244   2.5711   57.970   13.665   57.686   19.313   58.254   19.337   19.644   3.7978   19.751   3.7827 -0.1067924 5.360259 
1 1 1   22    4  -46 o   6.1508   2.7839  -4.7888   9.8717 -10.3404   12.206   5.7091   16.785   6.3038   2.9396   9.6144   3.9801 -3.310582 4.947939 
1 1 1   22    4  -45 o   27.087   1.4271   99.744   10.346   84.697   14.175  116.900   15.136   24.758   2.1531   29.185   1.9420 -4.427448 2.899486 
1 1 1   22    4  -44 o   35.588   1.2113  171.179   11.578  170.823   16.169  171.554   16.587   35.442   1.6985   35.507   1.7393 -0.6502914E-01 2.431017 
1 1 1   22    4  -43 o   14.801   2.3659   30.805   9.0888   46.483   12.639   14.013   13.080   18.159   2.6712   10.476   3.7126 7.682404 4.573677 
1 1 1   22    4  -42 o   14.924   2.8688   31.880   11.082   26.559   13.664   42.109   18.944   13.462   3.6756   16.786   4.2094 -3.323822 5.588308 
1 1 1   22    4  -41 o   26.237   2.0251   94.525   14.160   99.082   21.482   91.023   18.830   26.498   3.0756   25.492   2.7960 1.005741 4.156543 
1 1 1   22    4  -40 o   31.045   1.4156  130.464   11.804  110.817   15.748  155.654   17.832   28.411   2.0782   33.728   1.9771 -5.317507 2.868366 
1 1 1   22    4  -39 o   8.1832   3.1663   6.3376   9.9050   20.415   16.648  -1.3768   12.324   12.275   4.1987   7.5031   3.2665 4.771690 5.319719 
1 1 1   22    4  -38 o   19.877   1.9354   54.259   10.202   50.613   12.592   61.226   17.405   19.043   2.5240   20.752   3.2276 -1.708385 4.097308 
1 1 1   22    4  -37 o   22.890   1.5382   71.227   9.4022   68.641   13.006   74.059   13.608   22.328   2.1971   23.197   2.2109 -0.8683586 3.116963 
1 1 1   22    4  -36 o   22.086   1.5126   66.271   8.9192   65.897   12.549   66.653   12.679   21.893   2.1624   22.017   2.1723 -0.1239967 3.065092 
1 1 1   22    4  -35 o   56.632   1.0303  432.013   15.672  450.387   22.207  413.782   22.121   57.742   1.4319   55.333   1.4884 2.409157 2.065349 
1 1 1   22    4  -34 o   29.805   1.2110  119.770   9.6942  117.578   13.660  121.994   13.760   29.420   1.7364   29.973   1.7164 -0.5532398 2.441479 
1 1 1   22    4  -33 o   41.402   1.0484  230.843   11.658  247.199   16.488  214.491   16.486   42.791   1.4345   39.844   1.5405 2.947289 2.104974 
1 1 1   22    4  -32 o   30.236   1.2673  123.258   10.292  126.822   13.729  118.684   15.553   30.581   1.6778   29.524   1.9726 1.056105 2.589653 
1 1 1   22    4  -31 o   40.255   1.3846  218.594   14.971  229.693   23.159  210.627   19.621   41.092   2.1054   39.445   1.8520 1.646969 2.803999 
1 1 1   22    4  -30 o   10.944   2.6213   16.972   7.6036   4.3760   10.364   31.653   11.189   7.9590   3.1893   14.973   2.8869 -7.014317 4.301782 
1 1 1   22    4  -29 o   25.496   1.2620   87.586   8.6417   90.321   12.203   84.835   12.239   25.789   1.7725   24.980   1.8371 0.8095722 2.552791 
1 1 1   22    4  -28 o   43.880   1.0099  259.089   11.902  254.887   16.686  263.442   16.983   43.479   1.4288   44.203   1.4305 -0.7234154 2.021821 
1 1 1   22    4  -27 o  111.936   1.7740  1692.22   53.334  1710.26   75.789  1674.52   75.066  112.212   2.5147  111.032   2.5171 1.179924 3.558010 
1 1 1   22    4  -26 o   39.516   1.1136  210.132   11.819  213.447   18.445  207.822   15.395   39.769   1.7268   39.269   1.4596 0.4999580 2.261026 
1 1 1   22    4  -25 o   53.883   0.9606  390.449   13.903  384.158   19.530  396.913   19.796   53.409   1.3614   54.289   1.3576 -0.8798676 1.922639 
1 1 1   22    4  -24 o   50.397   0.9678  341.533   13.100  358.421   18.885  325.870   18.187   51.595   1.3627   49.195   1.3764 2.399853 1.936891 
1 1 1   22    4  -23 o   54.157   0.9518  394.344   13.845  403.075   19.628  385.698   19.531   54.723   1.3354   53.528   1.3585 1.194702 1.904976 
1 1 1   22    4  -22 o   56.257   0.9504  425.487   14.361  421.925   20.190  429.135   20.431   55.992   1.3425   56.468   1.3471 -0.4760132 1.901857 
1 1 1   22    4  -21 o   43.059   0.9717  249.256   11.238  260.335   16.097  238.723   15.695   43.983   1.3626   42.116   1.3875 1.866779 1.944672 
1 1 1   22    4  -20 o   23.477   1.2670   74.358   7.9597   73.317   11.066   75.474   11.458   23.259   1.7850   23.596   1.8220 -0.3372059 2.550667 
1 1 1   22    4  -19 o   44.400   0.9579  264.982   11.424  268.511   16.254  261.537   16.059   44.674   1.3546   44.090   1.3561 0.5840683 1.916749 
1 1 1   22    4  -18 o   35.270   0.9954  167.213   9.4297  157.817   13.165  177.112   13.513   34.247   1.4312   36.283   1.3866 -2.035370 1.992765 
1 1 1   22    4  -17 o   29.189   1.2546  114.587   9.8362  118.053   17.294  112.930   11.959   29.503   2.1982   28.926   1.5448 0.5773735 2.686725 
1 1 1   22    4  -16 o   15.824   1.8344   34.176   7.6518   32.557   11.060   35.663   10.597   15.283   2.7975   16.057   2.5418 -0.7743816 3.779809 
1 1 1   22    4  -15 o   46.374   1.0964  289.101   13.657  293.159   16.684  280.860   23.774   46.687   1.3305   45.659   1.9386 1.028152 2.351251 
1 1 1   22    4  -14 o   51.493   1.0721  356.421   14.828  354.890   18.107  359.536   25.834   51.370   1.3123   51.669   1.8615 -0.2985878 2.277616 
1 1 1   22    4  -13 o   94.937   0.9825  1211.31   25.053  1228.11   32.254  1185.76   39.778   95.570   1.2565   93.874   1.5776 1.695602 2.016876 
1 1 1   22    4  -12 o   90.600   0.8631  1102.95   21.003  1089.92   29.577  1116.21   29.830   90.037   1.2230   91.117   1.2189 -1.079643 1.726699 
1 1 1   22    4  -11 o   58.135   0.7129  454.043   11.131  451.733   15.700  456.377   15.784   57.976   1.0082   58.274   1.0085 -0.2971802 1.426012 
1 1 1   22    4  -10 o   58.439   0.7750  458.820   12.164  457.883   15.921  460.136   18.855   58.370   1.0155   58.505   1.1999 -0.1351814 1.571928 
1 1 1   22    4   -9 o   72.783   0.9490  711.851   18.552  708.436   23.442  717.575   30.349   72.595   1.2022   73.039   1.5470 -0.4435959 1.959257 
1 1 1   22    4   -8 o   41.563   0.7351  232.074   8.2061  246.638   12.194  220.018   11.094   42.839   1.0597   40.462   1.0209 2.376812 1.471455 
1 1 1   22    4   -7 o   31.037   0.7720  129.415   6.4354  129.501   8.9004  129.320   9.3157   31.042   1.0675   31.019   1.1181 0.2272606E-01 1.545889 
1 1 1   22    4   -6 o   68.606   0.7569  632.319   13.947  644.641   19.933  620.501   19.521   69.259   1.0715   67.950   1.0696 1.309052 1.513995 
1 1 1   22    4   -5 o   66.467   0.8615  593.558   15.380  584.942   26.323  598.024   18.951   65.954   1.4859   66.709   1.0577 -0.7550354 1.823921 
1 1 1   22    4   -4 o   54.057   0.8133  392.580   11.809  370.111   17.262  412.346   16.191   52.474   1.2248   55.392   1.0882 -2.918270 1.638389 
1 1 1   22    4   -3 o  104.407   1.0359  1464.84   29.049  1509.65   46.461  1436.08   37.221  105.943   1.6328  103.355   1.3408 2.587952 2.112735 
1 1 1   22    4   -2 o  118.874   1.1368  1899.13   36.295  1921.67   57.644  1884.33   46.720  119.512   1.7958  118.381   1.4694 1.131233 2.320288 
1 1 1   22    4   -1 o  116.498   1.0687  1823.79   33.439  1844.48   49.881  1806.90   45.065  117.111   1.5858  115.926   1.4473 1.185371 2.146970 
1 1 1   22    4    0 o   52.304   0.7237  367.500   10.166  379.905   14.649  355.977   14.120   53.171   1.0258   51.470   1.0214 1.701557 1.447544 
1 1 1   22    4    1 o  145.890   1.2214  2860.75   47.859  2877.04   67.900  2844.67   67.468  146.244   1.7286  145.419   1.7274 0.8249359 2.443766 
1 1 1   22    4    2 o   82.466   0.8267  913.649   18.311  928.136   26.090  899.588   25.705   83.101   1.1689   81.813   1.1698 1.288063 1.653691 
1 1 1   22    4    3 o   69.686   0.8464  652.419   15.843  638.347   22.460  666.353   22.350   68.915   1.2134   70.412   1.1818 -1.497017 1.693804 
1 1 1   22    4    4 o   78.185   0.9926  821.404   20.844  813.018   29.382  829.901   29.575   77.762   1.4068   78.566   1.4015 -0.8036194 1.985737 
1 1 1   22    4    5 o   94.842   0.8948  1208.56   22.795  1232.97   32.582  1185.16   31.902   95.772   1.2666   93.897   1.2650 1.875343 1.790108 
1 1 1   22    4    6 o   58.129   0.7720  453.947   12.054  459.871   16.392  446.973   17.785   58.498   1.0433   57.668   1.1483 0.8302765 1.551433 
1 1 1   22    4    7 o   36.332   0.7789  177.335   7.6011  179.795   11.175  175.217   10.370   36.575   1.1375   36.108   1.0692 0.4669113 1.561159 
1 1 1   22    4    8 o   44.382   0.7295  264.627   8.6956  275.508   12.401  254.102   12.196   45.278   1.0197   43.483   1.0443 1.795235 1.459572 
1 1 1   22    4    9 o  155.395   1.4099  3247.24   58.845  3240.13   83.158  3254.37   83.280  155.122   1.9959  155.462   1.9945 -0.3407135 2.821611 
1 1 1   22    4   10 o   43.422   0.7357  253.306   8.5799  262.984   12.215  243.881   12.054   44.236   1.0281   42.598   1.0535 1.637756 1.472047 
1 1 1   22    4   11 o   52.289   0.7694  367.338   10.806  357.379   16.077  375.543   14.593   51.561   1.1609   52.861   1.0278 -1.299606 1.550537 
1 1 1   22    4   12 o   45.785   0.7695  281.647   9.4635  291.438   14.159  273.742   12.723   46.562   1.1322   45.129   1.0496 1.432755 1.543853 
1 1 1   22    4   13 o   59.730   0.7821  479.354   12.546  478.967   18.725  479.670   16.902   59.688   1.1680   59.738   1.0534 -0.4969788E-01 1.572824 
1 1 1   22    4   14 o   72.589   0.8310  708.018   16.201  707.874   24.125  708.137   21.865   72.557   1.2379   72.578   1.1217 -0.2158356E-01 1.670501 
1 1 1   22    4   15 o   48.987   0.7759  322.437   10.209  303.568   15.009  338.683   13.927   47.516   1.1760   50.196   1.0330 -2.679718 1.565251 
1 1 1   22    4   16 o   44.615   0.8188  267.469   9.8114  283.083   15.826  257.722   12.504   45.879   1.2843   43.785   1.0632 2.093349 1.667335 
1 1 1   22    4   17 o   91.090   1.0898  1115.52   26.664  1115.19   43.731  1115.71   33.640   90.994   1.7893   91.069   1.3753 -0.7547760E-01 2.256766 
1 1 1   22    4   18 o   52.399   0.8346  368.977   11.746  365.460   18.832  371.217   15.027   52.121   1.3452   52.547   1.0647 -0.4257584 1.715544 
1 1 1   22    4   19 o   38.538   0.8930  199.607   9.2437  191.242   15.811  203.951   11.394   37.691   1.5618   38.947   1.0892 -1.256535 1.904074 
1 1 1   22    4   20 o   35.370   0.9223  168.159   8.7623  168.895   14.876  167.767   10.843   35.418   1.5637   35.320   1.1430 0.9744263E-01 1.936907 
1 1 1   22    4   21 o   65.026   0.8532  568.305   14.901  585.367   23.719  557.182   19.152   65.955   1.3389   64.368   1.1077 1.587204 1.737760 
1 1 1   22    4   22 o   60.509   0.9113  492.193   14.811  512.273   24.066  479.949   18.792   61.685   1.4525   59.733   1.1713 1.951714 1.865948 
1 1 1   22    4   23 o   24.404   0.9673   80.077   6.3402   73.477   8.8487   87.041   9.0891   23.318   1.4196   25.394   1.3373 -2.076483 1.950292 
1 1 1   22    4   24 o   66.900   0.7892  601.581   14.180  608.445   20.009  594.655   20.100   67.253   1.1077   66.485   1.1256 0.7683487 1.579203 
1 1 1   22    4   25 o   41.693   0.7879  233.666   8.8230  240.652   12.480  226.687   12.475   42.293   1.0987   41.045   1.1316 1.247814 1.577181 
1 1 1   22    4   26 o   55.494   0.7722  413.984   11.510  416.806   16.211  411.116   16.344   55.656   1.0844   55.273   1.1009 0.3828812 1.545338 
1 1 1   22    4   27 o   42.161   0.7825  238.980   8.8612  242.498   12.444  235.361   12.621   42.448   1.0915   41.816   1.1237 0.6320496 1.566547 
1 1 1   22    4   28 o   23.142   1.0973   72.093   6.8207   73.075   8.7399   70.564   10.908   23.240   1.4068   22.781   1.7973 0.4584541 2.282439 
1 1 1   22    4   29 o   33.325   1.0055  149.460   8.9999  153.434   11.726  143.762   14.040   33.742   1.2939   32.631   1.6019 1.111191 2.059162 
1 1 1   22    4   30 o   23.390   1.0594   73.655   6.6555   72.934   8.9114   74.565   10.008   23.207   1.4367   23.443   1.5990 -0.2360210 2.149659 
1 1 1   22    4   31 o   57.914   0.8878  451.264   13.810  469.551   19.340  432.238   19.727   59.028   1.2199   56.621   1.2972 2.406727 1.780648 
1 1 1   22    4   32 o   52.352   0.9641  368.897   13.556  368.305   16.721  370.034   23.159   52.279   1.1908   52.319   1.6480 -0.4037857E-01 2.033209 
1 1 1   22    4   33 o   60.768   0.9086  496.968   14.830  506.066   22.107  489.524   19.996   61.246   1.3439   60.258   1.2355 0.9879532 1.825485 
1 1 1   22    4   34 o   51.393   0.8048  355.330   11.110  369.569   15.392  339.840   16.053   52.374   1.0941   50.209   1.1903 2.165516 1.616803 
1 1 1   22    4   35 o   32.414   0.9117  141.432   7.9369  139.147   10.998  143.917   11.465   32.114   1.2751   32.656   1.3072 -0.5419426 1.826041 
1 1 1   22    4   36 o   22.384   1.1545   67.739   6.9175   62.669   9.3696   73.814   10.256   21.453   1.6385   23.290   1.6502 -1.837416 2.325449 
1 1 1   22    4   37 o   17.557   1.3899   41.914   6.5007   45.323   8.8881   37.992   9.5326   18.178   1.8460   16.550   2.1989 1.628336 2.871017 
1 1 1   22    4   38 o   7.1231   2.6003   5.7412   6.4721   11.142   8.3851  -2.2179   10.180   9.1077   2.9774   6.6807   2.9369 2.426960 4.182173 
1 1 1   22    4   39 o   13.933   1.8868   26.882   6.8791   25.300   8.7575   29.430   11.116   13.356   2.5339   14.315   2.9876 -0.9586544 3.917423 
1 1 1   22    4   40 o   56.295   0.8857  426.931   13.392  417.702   18.535  437.010   19.370   55.600   1.2412   56.863   1.2682 -1.262951 1.774513 
1 1 1   22    4   41 o   54.315   1.0228  397.885   14.921  394.513   20.764  401.485   21.455   53.974   1.4323   54.438   1.4674 -0.4636230 2.050549 
1 1 1   22    4   42 o   32.614   1.0115  143.456   8.8610  149.295   12.513  137.584   12.549   33.206   1.4030   31.865   1.4663 1.340872 2.029377 
1 1 1   22    4   43 o   35.061   0.9706  165.742   9.1401  167.252   12.608  164.070   13.269   35.159   1.3351   34.806   1.4194 0.3529625 1.948666 
1 1 1   22    4   44 o   16.893   1.7249   39.208   7.7163   40.236   11.229   38.287   10.621   16.897   2.5539   16.498   2.4731 0.3987732 3.555047 
1 1 1   22    4   45 o   23.360   1.3258   74.118   8.2840   64.032   10.609   89.872   13.260   21.588   1.8475   25.573   1.9451 -3.984751 2.682632 
1 1 1   22    4   46 o   39.395   1.0514  209.611   11.125  210.683   15.220  208.382   16.303   39.398   1.4383   39.148   1.5505 0.2494507 2.114892 
1 1 1   22    4   47 o   24.978   1.4814   85.153   9.8939   68.948   12.671  110.471   15.838   22.264   2.1454   28.244   2.1028 -5.979420 3.004049 
1 1 1   22    4   48 o   32.761   1.3113  145.827   11.538  158.212   17.441  136.187   15.387   33.847   1.9265   31.438   1.8302 2.409019 2.657212 
1 1 1   22    4   49 o   24.225   1.5264   80.556   9.8809   74.981   13.688   86.622   14.278   23.085   2.2357   24.862   2.1596 -1.777235 3.108381 
1 1 1   22    4   50 o   15.956   2.1791   36.217   9.0948   45.071   12.894   27.450   12.831   17.520   2.8371   13.323   3.5293 4.196548 4.528220 
1 1 1   22    4   51 o   18.074   1.8860   45.912   9.0211   47.557   11.630   43.428   14.293   18.132   2.4508   16.863   3.2737 1.269049 4.089451 
1 1 1   22    4   52 o   14.670   3.3526   33.715   12.922   23.280   30.334   36.028   14.282   12.683   5.3087   15.031   3.5875 -2.347396 6.407240 
1 1 1   22    5  -48 o   26.778   2.8444  103.289   20.145   0.0000   0.0000  103.289   20.145  ?   ?    26.778   2.8444 0.000000 2.844391 
1 1 1   22    5  -47 o   15.389   4.2084   36.849   17.895   0.0000   0.0000   36.849   17.895  ?   ?    15.389   4.2084 0.000000 4.208375 
1 1 1   22    5  -46 f   12.844   3.4488   24.521   12.149   22.860   16.805   26.339   17.583   12.563   4.2189   13.305   4.3093 -0.7420330 6.030685 
1 1 1   22    5  -45 o   21.107   1.9328   61.469   10.836   59.260   13.280   65.870   18.743   20.555   2.4539   21.303   3.3893 -0.7481194 4.184384 
1 1 1   22    5  -44 o   17.358   2.0471   41.800   9.3602   28.106   13.013   56.482   13.474   13.811   3.5028   20.052   2.5603 -6.240849 4.338716 
1 1 1   22    5  -43 o   20.580   1.7353   58.033   9.5022   56.860   13.257   59.272   13.627   20.156   2.5026   20.580   2.5178 -0.4238605 3.550019 
1 1 1   22    5  -42 o   14.184   2.4071   28.401   8.8428   34.720   12.280   21.596   12.744   15.527   3.0535   12.218   3.6233 3.309074 4.738386 
1 1 1   22    5  -41 o   67.006   1.1691  606.479   21.040  604.196   27.556  609.672   32.581   66.739   1.5372   66.910   1.8130 -0.1711731 2.376954 
1 1 1   22    5  -40 o   35.146   1.6158  167.707   15.253  164.219   23.726  170.163   19.913   34.400   2.5868   35.207   2.1156 -0.8068848 3.341753 
1 1 1   22    5  -39 o   19.029   1.9643   49.893   9.8954   42.763   13.470   58.253   14.585   17.305   3.0070   20.354   2.7374 -3.048315 4.066377 
1 1 1   22    5  -38 o   22.771   1.8168   70.960   11.019   79.128   18.909   66.759   13.560   23.678   3.0438   21.948   2.3361 1.729765 3.836911 
1 1 1   22    5  -37 o   25.425   1.5886   87.946   10.794   77.221   13.022  111.493   19.294   23.709   2.0656   28.368   2.5599 -4.658709 3.289310 
1 1 1   22    5  -36 o   39.619   1.1164  211.687   11.880  212.422   16.857  210.962   16.745   39.603   1.5847   39.467   1.5796 0.1352768 2.237525 
1 1 1   22    5  -35 o   46.567   1.0488  292.224   13.118  285.664   18.213  299.294   18.908   45.963   1.4753   47.043   1.4965 -1.079071 2.101419 
1 1 1   22    5  -34 o   31.897   1.2192  137.231   10.445  148.404   14.773  126.060   14.771   33.066   1.6688   30.438   1.8151 2.627968 2.465608 
1 1 1   22    5  -33 o   28.147   1.2677  106.872   9.5837  120.519   13.605   93.432   13.502   29.789   1.7076   26.172   1.9345 3.617195 2.580321 
1 1 1   22    5  -32 o   12.856   2.3732   23.210   7.8926   18.679   10.628   28.781   11.785   11.485   3.2816   14.186   3.1725 -2.700230 4.564426 
1 1 1   22    5  -31 o   45.848   1.0851  283.126   13.363  283.318   17.626  282.866   20.491   45.813   1.4324   45.734   1.6682 0.7836151E-01 2.198777 
1 1 1   22    5  -30 o   44.695   1.4502  269.634   17.410  269.842   24.375  269.419   24.874   44.603   2.0347   44.558   2.0784 0.4457092E-01 2.908545 
1 1 1   22    5  -29 o   53.672   0.9855  387.732   14.206  381.769   19.927  393.896   20.259   53.198   1.3946   54.036   1.3959 -0.8380852 1.973141 
1 1 1   22    5  -28 o   26.503   1.2682   94.660   9.0276   92.219   12.494   97.325   13.058   26.052   1.7966   26.762   1.8276 -0.7095966 2.562730 
1 1 1   22    5  -27 o   5.9648   2.5562  -0.3131   7.3176   2.5998   10.217  -3.3809   10.485   7.5730   3.1172   6.6601   2.9518 0.9128346 4.293043 
1 1 1   22    5  -26 o   53.646   1.2007  387.556   17.301  392.022   22.152  380.571   27.703   53.908   1.5299   53.043   1.9445 0.8656578 2.474215 
1 1 1   22    5  -25 o   25.887   1.7717   90.912   12.245   69.179   17.086  113.864   17.558   22.349   2.9157   28.898   2.2806 -6.548800 3.701701 
1 1 1   22    5  -24 o   46.689   0.9752  293.201   12.229  288.509   17.147  298.059   17.445   46.278   1.3795   47.038   1.3808 -0.7595673 1.951854 
1 1 1   22    5  -23 o   19.927   1.4635   53.781   7.7782   55.737   10.861   51.722   11.144   20.211   2.0281   19.438   2.1717 0.7727528 2.971437 
1 1 1   22    5  -22 o   86.068   1.0759  996.406   24.871  1007.79   35.256  985.133   35.092   86.490   1.5176   85.511   1.5279 0.9794159 2.153531 
1 1 1   22    5  -21 o   40.563   1.0017  221.247   10.913  215.584   15.152  227.352   15.732   40.015   1.4098   41.092   1.4254 -1.076405 2.004831 
1 1 1   22    5  -20 o   14.297   1.9217   28.062   7.1927   24.629   10.063   31.649   10.285   13.222   2.9122   15.074   2.6363 -1.852442 3.928246 
1 1 1   22    5  -19 o   36.136   1.0060  175.567   9.7643  163.033   13.852  187.946   13.766   34.799   1.4820   37.370   1.3715 -2.570995 2.019248 
1 1 1   22    5  -18 o   28.865   1.1036  112.040   8.5559  117.910   12.047  106.066   12.153   29.555   1.5228   28.017   1.6220 1.537905 2.224766 
1 1 1   22    5  -17 o   39.192   0.9857  206.485   10.376  197.852   14.587  215.327   14.762   38.344   1.4164   40.004   1.3739 -1.659924 1.973297 
1 1 1   22    5  -16 o   61.823   1.1065  513.907   18.373  513.226   31.698  514.252   22.547   61.708   1.9125   61.825   1.3578 -0.1165276 2.345455 
1 1 1   22    5  -15 o   65.048   1.1063  568.891   19.328  531.085   32.721  589.151   23.953   62.774   1.9407   66.177   1.3476 -3.403534 2.362668 
1 1 1   22    5  -14 o   51.175   0.7794  351.900   10.713  338.307   13.170  378.494   18.420   50.169   0.9774   53.048   1.2928 -2.878799 1.620694 
1 1 1   22    5  -13 o   67.501   0.8624  612.297   15.636  611.069   19.102  614.791   27.218   67.422   1.0549   67.593   1.4992 -0.1710587 1.833125 
1 1 1   22    5  -12 o   46.155   0.8252  286.250   10.230  280.935   13.077  294.633   16.424   45.715   1.0650   46.805   1.3064 -1.089706 1.685548 
1 1 1   22    5  -11 o  125.003   1.2431  2101.18   41.737  2078.89   55.745  2129.62   62.960  124.274   1.6701  125.745   1.8642 -1.471069 2.502839 
1 1 1   22    5  -10 o   38.825   0.7815  202.530   8.1495  207.203   12.090  198.639   11.033   39.259   1.1465   38.442   1.0686 0.8171768 1.567280 
1 1 1   22    5   -9 o   21.381   0.9432   61.436   5.4167   58.633   7.0817   65.390   8.4091   20.843   1.2711   22.002   1.4307 -1.159056 1.913795 
1 1 1   22    5   -8 o  101.749   1.0188  1391.45   27.843  1403.22   36.250  1374.53   43.483  102.151   1.3212  101.070   1.6018 1.081207 2.076365 
1 1 1   22    5   -7 o  107.673   0.9696  1558.04   28.040  1596.12   40.153  1521.80   39.173  108.943   1.3722  106.376   1.3710 2.566498 1.939787 
1 1 1   22    5   -6 o   42.776   0.7374  245.826   8.4718  242.459   12.652  248.563   11.407   42.471   1.1091   43.006   0.9875 -0.5352249 1.484996 
1 1 1   22    5   -5 o   52.512   0.7437  370.473   10.490  366.384   14.267  375.283   15.475   52.213   1.0173   52.840   1.0904 -0.6274033 1.491286 
1 1 1   22    5   -4 o  122.486   1.0636  2016.41   34.991  2028.24   49.637  2004.73   49.333  122.796   1.5050  122.083   1.5045 0.7135696 2.128013 
1 1 1   22    5   -3 o   43.421   0.7168  253.288   8.3595  261.578   11.965  245.382   11.685   44.118   1.0097   42.730   1.0181 1.387966 1.433874 
1 1 1   22    5   -2 o   44.304   0.7216  263.692   8.5873  265.827   12.231  261.616   12.059   44.475   1.0239   44.121   1.0176 0.3534050 1.443571 
1 1 1   22    5   -1 o   8.2936   2.1122   9.6216   4.7178   7.3602   6.8536   11.658   6.5040   7.7844   2.6926   9.1651   2.5493 -1.380724 3.707940 
1 1 1   22    5    0 o   52.962   0.7557  376.848   10.750  397.061   16.272  361.192   14.321   54.352   1.1146   51.842   1.0285 2.509819 1.516619 
1 1 1   22    5    1 o   57.806   0.7673  448.931   11.914  447.486   17.792  450.106   16.041   57.699   1.1481   57.872   1.0320 -0.1735840 1.543702 
1 1 1   22    5    2 o   40.142   0.8872  216.512   9.5653  196.566   15.272  229.387   12.270   38.229   1.4874   41.312   1.1058 -3.082390 1.853397 
1 1 1   22    5    3 o   95.405   1.1026  1223.41   28.253  1248.04   46.370  1208.86   35.630   96.295   1.7929   94.812   1.3992 1.482445 2.274197 
1 1 1   22    5    4 o   60.148   0.8511  486.099   13.750  456.090   23.110  502.543   17.107   58.232   1.4775   61.149   1.0416 -2.917061 1.807773 
1 1 1   22    5    5 o   93.666   1.0260  1179.10   25.811  1198.28   38.797  1163.87   34.572   94.381   1.5305   93.031   1.3836 1.350784 2.063149 
1 1 1   22    5    6 o   54.555   0.7910  399.873   11.590  415.356   18.197  389.304   15.035   55.583   1.2189   53.820   1.0401 1.763527 1.602309 
1 1 1   22    5    7 o   55.940   0.8395  420.477   12.614  407.878   18.434  431.570   17.298   55.079   1.2461   56.661   1.1366 -1.582615 1.686611 
1 1 1   22    5    8 o   44.419   0.8598  265.118   10.257  269.953   16.361  261.988   13.166   44.803   1.3596   44.147   1.1103 0.6555290 1.755410 
1 1 1   22    5    9 o   56.610   0.7976  430.589   12.128  448.118   19.049  418.641   15.726   57.731   1.2285   55.809   1.0491 1.922092 1.615525 
1 1 1   22    5   10 o   79.213   0.8926  843.204   18.990  839.103   29.721  846.033   24.686   78.983   1.4010   79.328   1.1586 -0.3453064 1.818009 
1 1 1   22    5   11 o   69.487   0.8456  648.826   15.783  629.216   24.419  662.895   20.683   68.399   1.3292   70.222   1.0966 -1.823158 1.723166 
1 1 1   22    5   12 o   81.314   0.9599  888.667   20.964  925.143   36.663  870.948   25.554   82.903   1.6465   80.483   1.1821 2.419495 2.026939 
1 1 1   22    5   13 o   15.143   1.4357   31.127   5.7696   37.871   8.8295   26.102   7.6219   16.642   2.0164   13.754   2.1323 2.888761 2.934737 
1 1 1   22    5   14 o   43.579   0.8172  255.204   9.5657  259.220   14.916  252.399   12.467   43.902   1.2650   43.330   1.0712 0.5725250 1.657608 
1 1 1   22    5   15 o   33.226   0.8818  148.364   7.8690  154.623   12.207  143.913   10.293   33.903   1.3405   32.714   1.1715 1.188599 1.780227 
1 1 1   22    5   16 o   27.546   1.0864  102.021   8.0382  100.568   12.538  103.034   10.474   27.272   1.7205   27.635   1.4159 -0.3634987 2.228146 
1 1 1   22    5   17 o   3.6004   1.7591 -10.6570   5.6161 -13.7730   7.8246  -7.3461   8.0657   4.3445   2.1123   5.1649   2.4022 -0.8203597 3.198771 
1 1 1   22    5   18 o   28.012   0.9400  105.475   7.0724  107.063   10.418  104.117   9.6321   28.206   1.3751   27.819   1.2891 0.3873253 1.884851 
1 1 1   22    5   19 o   47.260   0.7912  300.160   10.044  292.797   14.827  306.403   13.654   46.656   1.1832   47.735   1.0649 -1.078873 1.591845 
1 1 1   22    5   20 o   50.407   0.8014  341.495   10.851  349.424   16.145  334.963   14.653   50.966   1.1794   49.906   1.0932 1.059864 1.608105 
1 1 1   22    5   21 o   62.537   0.8818  525.744   14.812  552.508   22.602  505.599   19.610   64.071   1.3134   61.302   1.1910 2.768166 1.772987 
1 1 1   22    5   22 o   34.683   0.8728  161.715   8.1309  171.857   12.052  153.242   11.016   35.734   1.2556   33.746   1.2154 1.988472 1.747496 
1 1 1   22    5   23 o   75.755   0.8679  771.569   17.659  774.416   26.253  769.216   23.866   75.844   1.2888   75.604   1.1753 0.2393875 1.744173 
1 1 1   22    5   24 o   34.138   0.9426  156.736   8.6428  144.580   12.086  169.457   12.364   32.761   1.3735   35.474   1.2977 -2.712479 1.889581 
1 1 1   22    5   25 o   45.770   0.8201  281.669   10.082  271.269   13.305  295.694   15.450   44.896   1.1034   46.861   1.2275 -1.965668 1.650534 
1 1 1   22    5   26 o   80.839   0.8926  878.940   19.380  873.153   26.042  886.121   29.012   80.522   1.2041   81.093   1.3320 -0.5706940 1.795594 
1 1 1   22    5   27 o   21.565   1.1718   62.812   6.7618   62.946   8.6429   62.602   10.857   21.548   1.5027   21.428   1.9063 0.1201172 2.427355 
1 1 1   22    5   28 o   22.197   1.3026   66.637   7.7319   55.484   9.7700   85.327   12.648   20.173   1.8229   25.039   1.8947 -4.866180 2.629229 
1 1 1   22    5   29 o   9.2465   2.3369   12.074   5.8063   15.058   7.6942   8.1276   8.8491   10.317   2.7330   8.4117   3.0451 1.905815 4.091720 
1 1 1   22    5   30 o   55.723   0.8195  417.677   12.265  420.468   16.548  414.276   18.271   55.873   1.1027   55.440   1.2270 0.4323120 1.649713 
1 1 1   22    5   31 o   8.2571   2.5439   9.3046   6.1986   5.8262   8.6539   12.969   8.8829   7.7792   2.9725   9.7454   3.0524 -1.966218 4.260616 
1 1 1   22    5   32 o   37.188   0.9502  186.165   9.4907  190.104   12.352  180.487   14.829   37.550   1.2247   36.550   1.5105 0.9995155 1.944613 
1 1 1   22    5   33 o   14.094   1.8056   27.346   6.6782   22.614   9.1974   32.623   9.7125   12.603   2.7906   15.278   2.4497 -2.674290 3.713299 
1 1 1   22    5   34 o   77.034   0.8938  798.815   18.493  798.923   26.776  798.716   25.573   76.940   1.2957   76.946   1.2374 -0.6706238E-02 1.791628 
1 1 1   22    5   35 o   31.833   0.9672  136.490   8.2699  129.143   11.008  146.010   12.531   30.925   1.3252   32.869   1.4194 -1.944214 1.941867 
1 1 1   22    5   36 o   15.110   1.6139   31.276   6.4489   22.598   8.6053   42.393   9.7399   12.602   2.6274   17.514   2.1132 -4.911866 3.371817 
1 1 1   22    5   37 o   76.327   0.8634  784.520   17.701  779.572   24.682  789.760   25.400   75.986   1.2093   76.472   1.2366 -0.4856110 1.729683 
1 1 1   22    5   38 o   20.117   1.5740   55.198   8.4370   63.002   12.216   48.081   11.666   21.363   2.1586   18.573   2.3944 2.790932 3.223791 
1 1 1   22    5   39 o   33.407   1.0996  150.612   9.8667  163.760   13.833  136.998   14.077   34.765   1.4815   31.720   1.6580 3.044498 2.223493 
1 1 1   22    5   40 o   37.147   0.9840  186.065   9.8174  189.168   12.900  181.794   15.134   37.402   1.2841   36.611   1.5391 0.7911797 2.004406 
1 1 1   22    5   41 o   25.318   1.1615   86.578   7.8986   85.239   10.594   88.254   11.852   25.011   1.5852   25.412   1.7470 -0.4013309 2.359038 
1 1 1   22    5   42 o   24.306   1.3132   80.157   8.5410   82.320   11.994   77.931   12.166   24.516   1.8347   23.828   1.9171 0.6876163 2.653614 
1 1 1   22    5   43 o   65.095   0.9356  571.290   16.358  566.911   20.976  578.086   26.130   64.762   1.2059   65.287   1.4901 -0.5244141 1.916960 
1 1 1   22    5   44 o   7.3254   2.6666   6.2310   6.7995   20.513   9.0682 -12.1106   10.277   11.900   2.8703   5.4490   2.5885 6.451104 3.865101 
1 1 1   22    5   45 o   36.935   1.2535  184.710   12.436  187.133   17.168  182.034   18.038   37.043   1.7255   36.449   1.8486 0.5933342 2.528778 
1 1 1   22    5   46 f   16.379   2.1950   37.644   9.4138   53.198   14.146   25.279   12.612   19.287   2.8135   13.026   3.5209 6.261350 4.506960 
1 1 1   22    5   47 o   22.077   1.5853   66.896   9.3380   65.536   12.585   68.563   13.929   21.640   2.1956   22.058   2.3892 -0.4187412 3.244839 
1 1 1   22    5   48 o   16.861   2.0591   39.963   9.1316   35.561   12.519   44.967   13.349   15.465   3.1216   17.526   2.9399 -2.060822 4.288022 
1 1 1   22    5   49 o   9.3283   3.0311   12.517   8.6952   12.868   12.029   12.132   12.583   9.7778   3.5487   9.6937   3.6104 0.8404732E-01 5.062468 
1 1 1   22    5   50 o   6.2260   2.7990  -3.1274   9.7847  -7.9128   17.454  -0.9341   11.816   7.8234   3.6015   7.1667   3.1570 0.6567163 4.789291 
1 1 1   22    5   51 o   9.5012   3.7213   11.127   13.810  -1.9680   25.278   16.698   16.488   9.7462   4.4285   10.805   4.1091 -1.058858 6.041213 
1 1 1   22    6  -47 o   10.423   4.1623   11.544   17.589   0.0000   0.0000   11.544   17.589  ?   ?    10.423   4.1623 0.000000 4.162333 
1 1 1   22    6  -46 o   11.547   4.3358   17.280   18.220   0.0000   0.0000   17.280   18.220  ?   ?    11.547   4.3358 0.000000 4.335786 
1 1 1   22    6  -45 o   24.555   1.8026   82.946   11.805   85.582   14.591   77.952   20.085   24.796   2.2142   23.157   3.3245 1.638775 3.994340 
1 1 1   22    6  -44 o   23.459   1.8317   75.651   11.450   82.800   14.543   63.995   18.570   24.413   2.2431   20.972   3.4143 3.441317 4.085210 
1 1 1   22    6  -43 o   9.6076   3.0435   12.862   8.8076   24.213   12.438   1.4464   12.474   12.833   3.5081   7.9304   3.3662 4.902843 4.861903 
1 1 1   22    6  -42 o   4.8066   2.3021 -11.4989   8.4815  -7.9807   11.726 -15.3588   12.282   6.4195   2.9540   5.8625   2.7975 0.5570769 4.068439 
1 1 1   22    6  -41 f   42.936   1.1955  249.141   13.787  250.164   18.511  247.867   20.662   42.916   1.6059   42.655   1.8034 0.2603073 2.414798 
1 1 1   22    6  -40 o   4.8413   2.3452 -15.1137   9.4149 -21.8796   11.929  -3.9375   15.332   5.2276   2.5561   8.0165   3.5604 -2.788965 4.382909 
1 1 1   22    6  -39 o   29.184   1.8231  116.449   14.218  110.987   22.398  120.136   18.402   28.059   3.0196   29.476   2.3437 -1.416868 3.822433 
1 1 1   22    6  -38 o   8.9776   3.1431   10.205   9.3525  -5.4039   12.593   29.408   13.967   7.0293   3.1663   14.145   3.6513 -7.116051 4.832911 
1 1 1   22    6  -37 o   19.569   2.0460   52.831   10.595   42.286   16.807   59.785   13.648   16.962   3.7852   20.701   2.5058 -3.738932 4.539470 
1 1 1   22    6  -36 o   25.162   1.6444   86.254   11.052   87.267   13.653   84.328   18.826   25.217   2.0330   24.511   2.9169 0.7056713 3.555444 
1 1 1   22    6  -35 o   24.522   1.4648   81.651   9.6038   80.992   13.183   82.397   14.020   24.299   2.0387   24.481   2.1541 -0.1820507 2.965872 
1 1 1   22    6  -34 o   12.463   2.6095   22.082   8.4548   14.279   11.643   30.786   12.298   10.398   3.5116   14.627   3.2177 -4.229177 4.762836 
1 1 1   22    6  -33 o   62.629   1.0269  528.470   17.274  528.588   24.402  528.351   24.456   62.536   1.4528   62.521   1.4564 0.1504135E-01 2.057110 
1 1 1   22    6  -32 o   26.698   1.3123   96.200   9.4105  108.149   13.007   83.077   13.631   28.205   1.7253   24.634   2.0797 3.571323 2.702136 
1 1 1   22    6  -31 f   39.178   1.0638  206.775   11.194  199.531   15.634  214.394   16.035   38.425   1.5148   39.833   1.4988 -1.408062 2.130995 
1 1 1   22    6  -30 o   31.622   1.1645  134.769   9.8903  139.708   13.779  129.520   14.205   32.147   1.5958   30.889   1.7190 1.257439 2.345504 
1 1 1   22    6  -29 o   33.161   1.6162  148.650   14.395  139.328   20.007  158.658   20.729   31.905   2.3512   34.076   2.2779 -2.171026 3.273686 
1 1 1   22    6  -28 o   21.826   1.4659   64.590   8.5434   62.239   11.764   67.214   12.427   21.318   2.0811   22.155   2.1141 -0.8366413 2.966547 
1 1 1   22    6  -27 o   84.098   1.0773  952.333   24.335  964.393   34.545  940.453   34.285   84.517   1.5218   83.459   1.5295 1.057846 2.157563 
1 1 1   22    6  -26 o   13.418   2.1719   25.029   7.5598   19.220   10.642   30.947   10.741   11.661   3.2671   14.822   2.8008 -3.160312 4.303279 
1 1 1   22    6  -25 o   47.366   1.1362  302.090   14.455  303.113   17.707  300.044   25.028   47.415   1.3904   47.080   1.9792 0.3353577 2.418771 
1 1 1   22    6  -24 o   60.387   1.3711  491.464   22.239  507.701   32.200  476.657   30.751   61.263   1.9569   59.367   1.9285 1.896374 2.747462 
1 1 1   22    6  -23 o   41.506   1.1566  231.908   12.894  238.419   22.237  228.610   15.826   41.991   1.9716   41.185   1.4307 0.8064690 2.436007 
1 1 1   22    6  -22 o   51.876   0.9743  361.961   13.576  367.744   19.151  356.120   19.247   52.250   1.3647   51.414   1.3937 0.8358078 1.950580 
1 1 1   22    6  -21 o   89.821   1.0949  1085.43   26.414  1116.69   37.762  1055.49   36.960   91.024   1.5446   88.492   1.5550 2.531685 2.191741 
1 1 1   22    6  -20 o   53.903   0.9538  390.703   13.810  399.211   19.642  382.387   19.420   54.453   1.3430   53.292   1.3567 1.161098 1.909013 
1 1 1   22    6  -19 o   32.753   1.0541  144.274   9.2732  160.785   13.469  129.394   12.786   34.553   1.4513   30.992   1.5360 3.561115 2.113194 
1 1 1   22    6  -18 o   38.947   0.9969  203.961   10.428  191.294   14.512  217.487   14.995   37.694   1.4334   40.195   1.3889 -2.500946 1.995920 
1 1 1   22    6  -17 o   12.394   2.2067   21.363   7.0770   24.686   10.064   18.113   9.9537   13.239   2.9097   11.377   3.1499 1.861690 4.288139 
1 1 1   22    6  -16 o   24.260   1.2633   79.395   8.2034   91.725   11.609   67.099   11.593   26.041   1.6686   22.219   1.9628 3.821892 2.576208 
1 1 1   22    6  -15 o   80.426   1.0056  869.614   21.722  877.308   27.100  855.786   36.331   80.757   1.2494   79.704   1.6971 1.053047 2.107385 
1 1 1   22    6  -14 o   76.753   0.9815  791.919   20.234  796.617   27.828  786.648   29.473   76.946   1.3465   76.454   1.4353 0.4926834 1.968010 
1 1 1   22    6  -13 o   16.449   1.0089   36.509   4.4358   36.155   6.0221   36.929   6.5584   16.334   1.3857   16.497   1.4964 -0.1627960 2.039511 
1 1 1   22    6  -12 o   38.554   0.6980  199.718   7.2279  194.126   10.112  205.560   10.336   38.002   0.9907   39.105   0.9840 -1.103340 1.396331 
1 1 1   22    6  -11 o   82.595   0.8674  916.813   19.242  913.041   28.684  919.899   25.946   82.389   1.2962   82.710   1.1679 -0.3211823 1.744770 
1 1 1   22    6  -10 o   87.061   0.9322  1018.72   21.798  1015.28   28.031  1024.00   34.673   86.890   1.2011   87.233   1.4799 -0.3425751 1.905928 
1 1 1   22    6   -9 o   36.890   0.7771  182.863   7.7001  178.628   10.021  188.968   12.031   36.453   1.0235   37.487   1.1949 -1.033848 1.573354 
1 1 1   22    6   -8 o   67.654   1.0056  615.233   18.273  615.547   21.666  614.460   34.007   67.659   1.1923   67.537   1.8747 0.1220169 2.221689 
1 1 1   22    6   -7 o  100.204   1.1323  1349.94   30.475  1347.19   38.673  1354.45   49.501  100.068   1.4389  100.281   1.8378 -0.2129288 2.334091 
1 1 1   22    6   -6 o   98.602   0.9990  1306.78   26.458  1325.80   34.473  1279.51   41.274   99.289   1.2927   97.507   1.5760 1.782364 2.038300 
1 1 1   22    6   -5 o   50.450   0.7121  341.958   9.6500  354.513   13.775  329.858   13.523   51.358   0.9986   49.539   1.0163 1.818756 1.424821 
1 1 1   22    6   -4 o   82.247   0.8267  908.974   18.262  894.461   25.720  923.730   25.934   81.565   1.1740   82.889   1.1649 -1.324486 1.653856 
1 1 1   22    6   -3 o   73.870   0.7875  733.189   15.625  744.458   22.276  722.276   21.922   74.417   1.1145   73.300   1.1135 1.117004 1.575424 
1 1 1   22    6   -2 o   23.082   0.9133   71.600   5.6622   75.375   8.1092   68.010   7.9096   23.641   1.2819   22.449   1.3175 1.191149 1.838252 
1 1 1   22    6   -1 o   81.284   0.8234  887.796   17.977  882.508   25.392  893.109   25.454   81.020   1.1668   81.505   1.1627 -0.4854736 1.647244 
1 1 1   22    6    0 o  124.433   1.0790  2081.32   36.062  2092.73   51.133  2070.03   50.866  124.715   1.5265  124.037   1.5268 0.6784286 2.159010 
1 1 1   22    6    1 o  151.558   1.3195  3089.05   53.713  3134.26   80.373  3052.57   72.204  152.533   1.9618  150.572   1.7854 1.960968 2.652580 
1 1 1   22    6    2 o   74.379   0.8765  743.426   17.511  761.757   25.028  725.850   24.507   75.268   1.2380   73.472   1.2419 1.795631 1.753576 
1 1 1   22    6    3 o   85.838   0.8508  990.099   19.616  996.384   27.844  983.905   27.639   86.085   1.2042   85.544   1.2029 0.5406647 1.702140 
1 1 1   22    6    4 o   79.690   0.8183  853.319   17.516  855.028   24.820  851.623   24.723   79.748   1.1588   79.589   1.1565 0.1588135 1.637149 
1 1 1   22    6    5 o   60.719   0.7482  495.351   12.203  497.880   17.348  492.875   17.168   60.859   1.0613   60.553   1.0556 0.3063698 1.496839 
1 1 1   22    6    6 o   65.075   0.7957  569.020   13.907  558.447   18.741  581.979   20.747   64.453   1.0826   65.791   1.1741 -1.338196 1.597000 
1 1 1   22    6    7 o   54.159   0.7946  394.129   11.559  402.673   16.561  386.012   16.142   54.728   1.1266   53.584   1.1216 1.143909 1.589717 
1 1 1   22    6    8 o   29.455   0.8538  116.593   6.7552  111.089   9.7918  121.591   9.3313   28.741   1.2685   30.072   1.1553 -1.331419 1.715702 
1 1 1   22    6    9 o   72.362   0.7905  703.609   15.364  700.315   21.677  706.934   21.780   72.172   1.1182   72.513   1.1183 -0.3402481 1.581468 
1 1 1   22    6   10 o   35.269   0.7770  167.144   7.3607  175.057   10.486  159.459   10.335   36.085   1.0819   34.438   1.1173 1.646408 1.555289 
1 1 1   22    6   11 o   10.385   1.9013   14.988   5.1081   28.863   7.2324   1.1775   7.2155   14.513   1.9011   6.2596   2.6019 8.253363 3.222442 
1 1 1   22    6   12 o  117.296   1.0390  1849.61   32.733  1852.62   46.332  1846.61   46.250  117.329   1.4702  117.139   1.4700 0.1902542 2.079042 
1 1 1   22    6   13 o  126.773   1.1504  2161.17   39.172  2169.70   58.217  2154.11   52.952  126.922   1.7077  126.496   1.5585 0.4258881 2.312014 
1 1 1   22    6   14 o   26.639   0.9512   95.388   6.8054   82.502   9.9814  106.583   9.3030   24.711   1.5112   28.150   1.2304 -3.439070 1.948734 
1 1 1   22    6   15 o   76.760   0.9021  791.971   18.599  841.992   30.124  761.155   23.644   79.096   1.4179   75.229   1.1702 3.866852 1.838432 
1 1 1   22    6   16 o   44.316   0.8422  263.958   10.024  256.779   13.996  271.521   14.364   43.692   1.1926   44.929   1.1903 -1.236824 1.685004 
1 1 1   22    6   17 o   66.779   0.8208  599.349   14.722  587.659   21.685  609.345   20.052   66.092   1.2216   67.311   1.1091 -1.218796 1.649955 
1 1 1   22    6   18 o   19.698   1.1972   52.391   6.3038   49.291   9.1386   55.205   8.7068   19.035   1.8092   20.178   1.6202 -1.142864 2.428666 
1 1 1   22    6   19 o   5.7594   2.3386   1.7831   5.6532   7.6058   8.2163  -3.4515   7.7903   8.1607   2.9371   5.6110   2.5118 2.549655 3.864669 
1 1 1   22    6   20 o   95.974   1.1197  1239.17   28.863  1249.48   41.023  1229.05   40.617   96.287   1.5862   95.498   1.5835 0.7897873 2.241329 
1 1 1   22    6   21 o   27.311   1.0409  100.336   7.6359  112.670   10.768   87.862   10.829   28.923   1.3862   25.481   1.5903 3.442450 2.109604 
1 1 1   22    6   22 o   11.438   2.1273   18.260   6.2951   29.471   8.8049   6.5366   9.0036   14.573   2.3278   8.0765   3.0449 6.496649 3.832735 
1 1 1   22    6   23 o   28.937   1.0288  112.659   7.9959  114.202   10.890  110.854   11.778   29.111   1.3928   28.630   1.5372 0.4811993 2.074328 
1 1 1   22    6   24 o   25.395   1.1339   86.817   7.7338   82.108   10.547   92.294   11.374   24.615   1.6041   26.099   1.6307 -1.484514 2.287413 
1 1 1   22    6   25 o   55.767   0.8254  418.229   12.364  416.918   18.215  419.349   16.836   55.634   1.2190   55.808   1.1232 -0.1746407 1.657563 
1 1 1   22    6   26 o   56.401   0.8353  427.850   12.654  429.484   18.683  426.465   17.200   56.458   1.2321   56.273   1.1380 0.1852379 1.677172 
1 1 1   22    6   27 o   21.759   1.2673   64.031   7.3746   60.766   9.9811   67.958   10.944   21.122   1.7758   22.334   1.8407 -1.212244 2.557720 
1 1 1   22    6   28 o   53.344   0.8211  382.779   11.764  383.971   15.752  381.275   17.690   53.393   1.0984   53.184   1.2383 0.2087212 1.655287 
1 1 1   22    6   29 o   37.372   0.8527  187.909   8.5595  188.168   11.707  187.613   12.547   37.368   1.1664   37.303   1.2523 0.6486893E-01 1.711335 
1 1 1   22    6   30 o   50.911   0.8356  348.726   11.427  355.624   15.042  339.313   17.571   51.379   1.0900   50.154   1.3044 1.225712 1.699823 
1 1 1   22    6   31 f   9.4475   2.4064   12.640   6.1230   16.739   8.0954   7.1603   9.3599   10.846   2.7693   8.2766   3.1077 2.569462 4.162517 
1 1 1   22    6   32 o   56.998   0.8081  437.123   12.371  422.809   17.054  453.020   17.973   56.006   1.1337   57.969   1.1543 -1.962444 1.617963 
1 1 1   22    6   33 o   20.626   1.2235   57.592   6.7480   52.565   8.9474   64.224   10.276   19.623   1.7148   21.693   1.7794 -2.069708 2.471194 
1 1 1   22    6   34 o   29.650   1.0286  118.475   8.1919  124.076   11.763  113.199   11.415   30.292   1.4457   28.893   1.4759 1.399220 2.065980 
1 1 1   22    6   35 o   35.817   0.9356  172.818   9.0008  168.956   11.633  178.577   14.207   35.376   1.2243   36.330   1.4559 -0.9538879 1.902308 
1 1 1   22    6   36 o   8.5425   2.6535   10.044   6.7289   1.6430   9.3387   19.115   9.7038   7.0480   2.9474   11.523   3.0773 -4.475231 4.261066 
1 1 1   22    6   37 o   5.9533   2.5493  -0.0764   7.2684  -7.4408   9.5850   9.8889   11.150   5.7222   2.6465   9.2464   3.4073 -3.524160 4.314344 
1 1 1   22    6   38 o   14.653   1.7562   29.606   6.7738   37.187   9.0930   20.153   10.154   16.359   2.1193   11.799   3.1463 4.559439 3.793521 
1 1 1   22    6   39 o   22.203   1.2260   66.834   7.2831   63.516   9.7973   70.933   10.889   21.548   1.7068   22.757   1.7961 -1.208984 2.477708 
1 1 1   22    6   40 o   5.2104   2.3485  -3.3194   6.9418  -7.5171   8.6634   4.2098   11.603   5.3395   2.4854   8.1803   3.3392 -2.840870 4.162648 
1 1 1   22    6   41 f   23.936   1.2756   77.713   8.1713   74.006   10.331   83.908   13.355   23.276   1.6635   24.692   2.0317 -1.416950 2.625794 
1 1 1   22    6   42 o   68.993   1.0838  642.691   20.084  652.276   25.303  626.369   33.018   69.401   1.3574   67.787   1.8135 1.613976 2.265233 
1 1 1   22    6   43 o   47.874   0.8887  308.973   11.427  316.677   15.747  300.402   16.609   48.388   1.2116   47.099   1.3130 1.288818 1.786559 
1 1 1   22    6   44 o   26.848   1.3078   97.678   9.4308   98.006   12.369   97.223   14.575   26.750   1.7308   26.535   2.0613 0.2150860 2.691568 
1 1 1   22    6   45 o   23.985   1.4613   78.517   9.3694   89.835   12.272   62.700   14.508   25.560   1.7990   21.040   2.6242 4.520067 3.181688 
1 1 1   22    6   46 o   6.7323   2.8092   1.9618   8.4575  -6.3164   11.158   13.140   12.966   6.3596   2.9098   10.095   3.6813 -3.735873 4.692398 
1 1 1   22    6   47 o   9.6148   3.2090   13.043   9.7219  -7.9314   14.014   32.502   13.498   7.0326   3.2336   14.614   3.4873 -7.581619 4.755834 
1 1 1   22    6   48 o   24.034   1.6718   79.871   10.725   61.860   15.901   94.903   14.527   20.503   2.9743   26.000   2.0981 -5.497305 3.639830 
1 1 1   22    6   49 o   25.657   1.7879   91.687   12.243  102.252   19.084   84.297   15.961   26.502   2.7196   24.194   2.4919 2.307722 3.688543 
1 1 1   22    6   50 o   6.3948   2.9743  -8.1489   12.366 -14.5512   17.986  -2.4089   17.030   7.3067   3.4574   8.2063   3.6906 -0.8995991 5.057088 
1 1 1   22    6   51 o   17.950   3.3695   50.699   15.649   52.434   20.383   48.210   24.422   17.397   4.3684   15.974   5.0687 1.423492 6.691366 
1 1 1   22    7  -46 o   34.627   2.4181  169.212   22.348   0.0000   0.0000  169.212   22.348  ?   ?    34.627   2.4181 0.000000 2.418059 
1 1 1   22    7  -45 o   34.918   2.5162  171.686   23.440   0.0000   0.0000  171.686   23.440  ?   ?    34.918   2.5162 0.000000 2.516174 
1 1 1   22    7  -44 o   33.430   1.4662  152.044   13.165  149.058   16.206  157.837   22.574   32.931   1.8396   33.557   2.5230 -0.6260605 3.122475 
1 1 1   22    7  -43 o   6.5563   2.8768  -1.6576   9.7255   1.8451   12.039  -8.2373   16.500   7.8467   3.3175   7.8042   3.5583 0.4247141E-01 4.864931 
1 1 1   22    7  -42 f   21.262   1.7332   62.010   9.8116   60.181   13.732   63.918   14.024   20.705   2.5212   21.357   2.4917 -0.6518250 3.544722 
1 1 1   22    7  -41 o   11.026   2.8806   17.578   8.6244   22.155   11.720   12.172   12.737   12.313   3.4211   9.9926   3.6479 2.320620 5.001060 
1 1 1   22    7  -40 o   38.931   1.2272  204.945   12.833  205.714   16.983  203.922   19.592   38.904   1.6252   38.654   1.8871 0.2498932 2.490475 
1 1 1   22    7  -39 o   18.264   2.1117   46.269   10.168   59.617   13.021   25.413   16.277   20.677   2.3886   13.212   4.1308 7.465892 4.771706 
1 1 1   22    7  -38 o   46.394   1.4306  291.697   17.827  313.210   28.965  278.579   22.619   47.754   2.2583   45.197   1.8632 2.556713 2.927701 
1 1 1   22    7  -37 o   24.133   1.5702   79.372   10.122   80.297   14.230   78.426   14.402   24.099   2.2235   23.797   2.2813 0.3025856 3.185597 
1 1 1   22    7  -36 o   13.788   2.9104   27.349   10.440   35.633   16.865   22.202   13.293   15.490   4.0190   12.396   3.7061 3.093714 5.466974 
1 1 1   22    7  -35 o   23.146   1.7178   73.171   10.603   76.899   13.177   66.323   17.858   23.637   2.0974   21.596   3.1733 2.040277 3.803809 
1 1 1   22    7  -34 o   33.927   1.1686  155.359   10.649  159.830   14.858  150.637   15.271   34.335   1.6112   33.269   1.7148 1.065598 2.352950 
1 1 1   22    7  -33 o   6.9323   2.7829   3.3130   7.9075  -6.7610   10.765   15.117   11.653   6.2614   2.8624   10.593   3.5123 -4.331763 4.530907 
1 1 1   22    7  -32 o   27.000   1.3150   98.449   9.5364  111.874   13.342   84.428   13.635   28.672   1.7408   24.822   2.0639 3.850092 2.700013 
1 1 1   22    7  -31 o   38.362   1.0797  198.332   11.124  209.652   15.435  186.094   16.048   39.384   1.4591   37.080   1.6114 2.304745 2.173812 
1 1 1   22    7  -30 o   12.797   2.4092   23.059   7.9768   22.250   10.995   23.957   11.590   12.456   3.2517   12.912   3.3226 -0.4560061 4.648991 
1 1 1   22    7  -29 o   32.615   1.1496  143.376   10.070  146.951   14.145  139.700   14.340   32.964   1.5976   32.088   1.6697 0.8762016 2.310868 
1 1 1   22    7  -28 o   70.959   1.3159  679.304   25.080  702.048   40.014  664.587   32.187   71.896   2.0721   70.077   1.7101 1.819084 2.686632 
1 1 1   22    7  -27 o   11.395   2.8600   18.486   8.7398   22.127   10.323   9.2701   16.423   12.445   3.0998   10.306   4.0515 2.138930 5.101355 
1 1 1   22    7  -26 o   40.458   1.0312  220.393   11.206  230.932   15.779  209.668   15.917   41.366   1.4202   39.404   1.5039 1.962135 2.068502 
1 1 1   22    7  -25 o   53.239   0.9800  381.490   14.013  377.478   19.536  385.743   20.111   52.901   1.3749   53.473   1.4003 -0.5716820 1.962457 
1 1 1   22    7  -24 o   72.747   1.0314  712.366   20.154  708.691   28.346  716.123   28.660   72.475   1.4562   72.852   1.4647 -0.3770599 2.065344 
1 1 1   22    7  -23 o   50.306   1.1219  340.743   15.159  327.898   18.619  366.003   26.110   49.312   1.4057   52.018   1.8688 -2.705608 2.338491 
1 1 1   22    7  -22 o   14.270   2.3712   28.359   8.7697   12.021   14.276   38.262   11.114   10.427   3.8530   16.585   2.5788 -6.158035 4.636358 
1 1 1   22    7  -21 o   33.150   1.1795  147.954   10.502  153.757   16.989  144.364   13.361   33.677   1.8858   32.719   1.5204 0.9584160 2.422349 
1 1 1   22    7  -20 o   11.081   2.5049   17.316   7.2802   15.206   10.202   19.506   10.392   10.556   3.2654   11.760   3.2033 -1.204009 4.574295 
1 1 1   22    7  -19 o   24.812   1.2636   83.099   8.3935   88.179   11.898   78.066   11.843   25.505   1.7474   23.975   1.8534 1.529247 2.547256 
1 1 1   22    7  -18 o   35.015   1.1397  164.961   10.719  154.500   14.109  179.240   16.483   33.859   1.5514   36.458   1.6833 -2.598984 2.289176 
1 1 1   22    7  -17 o   72.211   1.0774  701.401   20.896  699.900   31.994  702.518   27.594   72.056   1.6531   72.226   1.4224 -0.1698074 2.180854 
1 1 1   22    7  -16 o   52.890   0.9123  376.081   12.960  402.817   17.918  346.746   18.769   54.714   1.2193   50.750   1.3769 3.964195 1.839170 
1 1 1   22    7  -15 o   19.460   1.5410   51.323   7.9885   44.417   11.246   58.355   11.349   17.968   2.3896   20.688   2.0702 -2.720348 3.161629 
1 1 1   22    7  -14 f   6.8354   2.1039   6.2957   4.2409   7.3909   4.8088   2.4632   8.9959   7.3770   2.2344   7.1769   2.9362 0.2001390 3.689679 
1 1 1   22    7  -13 f   25.300   0.8407   86.031   5.7131   83.337   8.3153   88.440   7.8628   24.889   1.2439   25.643   1.1416 -0.7543163 1.688351 
1 1 1   22    7  -12 o   74.869   0.8667  753.398   17.428  774.478   27.967  740.013   22.284   75.861   1.3726   74.180   1.1185 1.681152 1.770551 
1 1 1   22    7  -11 o   68.354   0.8019  627.892   14.722  651.889   20.029  599.691   21.712   69.629   1.0710   66.771   1.2107 2.857231 1.616387 
1 1 1   22    7  -10 o   84.267   0.8349  954.329   18.897  949.413   26.664  959.289   26.783   84.019   1.1816   84.455   1.1807 -0.4359818 1.670393 
1 1 1   22    7   -9 o   53.170   0.7148  379.859   10.208  379.731   14.426  379.987   14.446   53.147   1.0106   53.165   1.0116 -0.1787949E-01 1.429942 
1 1 1   22    7   -8 o   59.525   0.7686  476.125   12.289  462.623   18.223  487.387   16.643   58.653   1.1567   60.211   1.0291 -1.557758 1.548267 
1 1 1   22    7   -7 o   88.990   0.9460  1064.44   22.610  1052.38   29.030  1083.05   36.049   88.458   1.2218   89.705   1.4962 -1.247070 1.931707 
1 1 1   22    7   -6 o   12.690   1.6492   22.046   5.4882   27.915   6.9705   12.474   8.9022   14.274   1.8625   9.6701   3.0594 4.603779 3.581764 
1 1 1   22    7   -5 o   65.925   0.8684  584.081   15.376  575.734   18.925  600.292   26.375   65.439   1.0767   66.788   1.4703 -1.349060 1.822385 
1 1 1   22    7   -4 o   41.751   0.7986  234.238   8.9553  231.841   11.584  237.798   14.118   41.528   1.0385   42.049   1.2501 -0.5205193 1.625185 
1 1 1   22    7   -3 o   47.443   0.7907  302.452   10.075  311.797   13.118  289.006   15.735   48.161   1.0141   46.355   1.2638 1.805988 1.620319 
1 1 1   22    7   -2 o   35.748   0.8294  171.732   7.9632  162.253   10.264  186.062   12.620   34.739   1.1001   37.194   1.2633 -2.454922 1.675145 
1 1 1   22    7   -1 o   77.415   0.8457  805.385   17.585  814.956   23.925  794.139   25.935   77.852   1.1442   76.842   1.2566 1.010399 1.699461 
1 1 1   22    7    0 o   53.415   0.8085  383.395   11.599  388.929   16.666  378.195   16.154   53.782   1.1537   53.036   1.1340 0.7462158 1.617741 
1 1 1   22    7    1 o   29.878   0.8677  119.969   6.9631  119.414   9.3716  120.654   10.404   29.800   1.1709   29.950   1.2933 -0.1501102 1.744561 
1 1 1   22    7    2 o   29.354   0.8197  115.791   6.4630  119.006   9.1816  112.635   9.0992   29.750   1.1491   28.942   1.1705 0.8079319 1.640271 
1 1 1   22    7    3 o   10.901   1.8004   16.429   5.0874   21.490   7.0760   11.014   7.3195   12.440   2.1982   9.0197   2.7619 3.419949 3.529911 
1 1 1   22    7    4 o   60.416   0.7472  490.455   12.125  504.085   17.391  477.560   16.915   61.234   1.0574   59.601   1.0566 1.632816 1.494837 
1 1 1   22    7    5 o   36.435   0.7772  178.380   7.6057  177.985   10.888  178.756   10.629   36.383   1.1142   36.463   1.0853 -0.7976913E-01 1.555389 
1 1 1   22    7    6 o   51.964   0.8858  362.913   12.363  350.783   20.096  370.297   15.681   51.055   1.4655   52.479   1.1125 -1.423988 1.839924 
1 1 1   22    7    7 o   37.230   0.8331  186.269   8.3310  179.463   10.849  196.047   13.005   36.534   1.1057   38.177   1.2683 -1.643528 1.682559 
1 1 1   22    7    8 o   46.514   0.7397  290.714   9.2413  297.480   13.112  284.036   13.027   47.040   1.0378   45.964   1.0552 1.076073 1.480019 
1 1 1   22    7    9 o   50.672   0.7730  345.040   10.521  348.310   15.489  342.240   14.334   50.894   1.1331   50.453   1.0578 0.4411125 1.550110 
1 1 1   22    7   10 o   96.628   0.9158  1255.03   23.768  1270.15   33.762  1240.17   33.467   97.166   1.2936   96.012   1.2978 1.154091 1.832402 
1 1 1   22    7   11 o   34.383   0.8023  158.871   7.4088  157.929   10.300  159.882   10.665   34.269   1.1191   34.479   1.1516 -0.2098274 1.605740 
1 1 1   22    7   12 o   22.314   1.0646   66.950   6.3806   70.331   8.5107   62.612   9.6418   22.817   1.3954   21.493   1.6837 1.324318 2.186751 
1 1 1   22    7   13 f   52.920   0.8278  376.390   11.767  368.977   16.430  384.195   16.859   52.376   1.1679   53.444   1.1745 -1.068699 1.656334 
1 1 1   22    7   14 f   43.245   0.8945  251.392   10.389  252.353   15.527  250.613   13.980   43.302   1.3350   43.161   1.2059 0.1410828 1.799025 
1 1 1   22    7   15 o   51.025   0.8880  349.989   12.170  368.083   16.269  327.004   18.337   52.309   1.1580   49.286   1.3852 3.022972 1.805468 
1 1 1   22    7   16 o   74.048   0.9465  737.211   18.824  736.008   24.935  738.804   28.702   73.954   1.2553   74.070   1.4427 -0.1158829 1.912396 
1 1 1   22    7   17 o   30.783   0.9708  127.419   8.0266  135.239   10.940  118.303   11.812   31.698   1.2850   29.598   1.4907 2.099836 1.968089 
1 1 1   22    7   18 o   48.787   0.8514  319.992   11.157  316.474   15.453  323.822   16.125   48.494   1.1864   49.051   1.2239 -0.5564880 1.704554 
1 1 1   22    7   19 o   22.633   1.2610   69.177   7.6353   76.836   10.471   60.480   11.158   23.813   1.6472   21.063   1.9960 2.749491 2.587970 
1 1 1   22    7   20 o   72.829   0.8570  713.183   16.763  679.406   24.277  743.965   23.175   71.031   1.2725   74.346   1.1606 -3.315109 1.722242 
1 1 1   22    7   21 o   25.136   1.0361   85.015   6.9949   90.574   10.441   80.489   9.4219   25.873   1.5090   24.393   1.4445 1.479961 2.088930 
1 1 1   22    7   22 o   23.134   1.1177   72.046   6.9452   73.974   10.115   70.326   9.5527   23.355   1.6226   22.776   1.5712 0.5788269 2.258618 
1 1 1   22    7   23 o   36.806   0.8825  182.217   8.7238  180.980   12.754  183.304   11.959   36.647   1.2957   36.890   1.2070 -0.2430115 1.770813 
1 1 1   22    7   24 o   45.371   0.8390  276.875   10.224  275.677   14.987  277.917   13.982   45.232   1.2336   45.426   1.1460 -0.1938400 1.683773 
1 1 1   22    7   25 o   38.131   0.8817  195.615   9.0305  195.470   13.152  195.745   12.421   38.078   1.2860   38.113   1.2134 -0.3470993E-01 1.768053 
1 1 1   22    7   26 o   47.643   0.9394  305.494   12.021  302.634   18.241  307.690   15.983   47.352   1.4342   47.776   1.2455 -0.4232826 1.899548 
1 1 1   22    7   27 o   10.616   2.3251   15.927   6.4461   18.107   9.2652   13.881   8.9741   11.285   3.0038   10.020   3.0564 1.264961 4.285324 
1 1 1   22    7   28 o   83.685   0.9752  942.859   21.920  926.669   30.572  959.987   31.445   82.861   1.3736   84.333   1.3882 -1.472008 1.952976 
1 1 1   22    7   29 o   77.355   0.9021  805.387   18.743  783.812   27.335  824.531   25.749   76.210   1.3354   78.195   1.2260 -1.984459 1.812852 
1 1 1   22    7   30 o   49.412   0.9159  328.676   12.155  330.848   18.293  326.959   16.265   49.500   1.3759   49.235   1.2299 0.2649345 1.845510 
1 1 1   22    7   31 o   19.588   1.2645   51.989   6.6173   44.207   8.8574   61.819   9.9549   17.955   1.8638   21.285   1.7570 -3.329775 2.561363 
1 1 1   22    7   32 o   57.757   0.8104  448.941   12.573  429.113   17.211  471.631   18.410   56.410   1.1359   59.134   1.1591 -2.723652 1.622935 
1 1 1   22    7   33 o   31.445   1.0135  133.262   8.5599  125.969   12.222  140.283   11.992   30.511   1.4914   32.214   1.3860 -1.703505 2.036004 
1 1 1   22    7   34 o   44.225   0.8674  263.386   10.303  268.999   14.555  257.746   14.588   44.634   1.2141   43.685   1.2433 0.9492683 1.737735 
1 1 1   22    7   35 o   31.531   0.9896  134.036   8.3809  130.738   11.570  137.676   12.156   31.084   1.3859   31.892   1.4191 -0.8081970 1.983586 
1 1 1   22    7   36 o   44.016   0.9567  261.181   11.310  264.325   15.477  257.578   16.569   44.209   1.3034   43.613   1.4145 0.5951233 1.923416 
1 1 1   22    7   37 o   10.959   2.4570   17.175   7.0535   14.705   9.0212   21.059   11.314   10.186   3.0549   12.045   3.3666 -1.858701 4.546051 
1 1 1   22    7   38 o   22.721   1.3138   70.089   7.9836   72.859   10.194   65.696   12.839   23.095   1.6544   21.772   2.2268 1.322266 2.774116 
1 1 1   22    7   39 o   39.657   0.9565  212.084   10.188  221.061   13.985  201.932   14.872   40.420   1.2882   38.597   1.4346 1.822983 1.928071 
1 1 1   22    7   40 o   23.607   1.2799   75.619   8.0851   76.578   10.305   74.083   13.039   23.682   1.6301   23.160   2.1197 0.5220108 2.673962 
1 1 1   22    7   41 o   30.649   1.0801  126.842   8.8910  120.771   11.478  135.949   14.059   29.844   1.4319   31.570   1.6639 -1.725063 2.195163 
1 1 1   22    7   42 f   16.297   1.7691   36.628   7.6191   29.738   9.5139   48.949   12.722   14.456   2.5432   18.613   2.6171 -4.157503 3.649217 
1 1 1   22    7   43 o   6.4457   2.6854   1.6432   7.7111  -1.5899   10.182   5.9916   11.808   6.7239   2.9470   8.5143   3.4068 -1.790457 4.504617 
1 1 1   22    7   44 o   14.997   2.1729   31.648   8.4972   40.886   10.687   15.769   14.011   17.003   2.4074   10.838   3.8423 6.164701 4.534212 
1 1 1   22    7   45 o   17.525   1.8606   42.670   8.6239   44.024   11.495   40.927   13.043   17.574   2.5063   16.726   3.0141 0.8479824 3.920028 
1 1 1   22    7   46 o   22.975   1.7380   72.976   10.646   83.674   15.454   63.315   14.686   24.309   2.3981   20.990   2.6651 3.319712 3.585238 
1 1 1   22    7   47 o   27.454   1.5118  103.618   11.105  106.956   15.108   99.695   16.378   27.630   2.0504   26.517   2.3230 1.113571 3.098496 
1 1 1   22    7   48 o   7.0885   3.1082  -0.5047   11.337   25.032   18.965 -14.7045   14.142   12.565   4.4686   6.3405   3.0190 6.224833 5.392846 
1 1 1   22    7   49 o   42.102   2.1232  251.173   23.932  272.700   34.151  230.400   33.548   42.800   2.9895   39.013   3.2306 3.787170 4.401557 
1 1 1   22    7   50 o   8.9392   3.5206   9.7332   12.422   36.087   19.529  -8.1786   16.100   14.246   4.5339   7.3268   3.4030 6.919693 5.668924 
1 1 1   22    8  -46 o   15.324   5.4385   40.720   28.077   0.0000   0.0000   40.720   28.077  ?   ?    15.324   5.4385 0.000000 5.438468 
1 1 1   22    8  -45 f   26.542   2.8191  101.643   19.790   0.0000   0.0000  101.643   19.790  ?   ?    26.542   2.8191 0.000000 2.819056 
1 1 1   22    8  -44 o   8.4401   3.7869  -4.4228   17.815   0.0000   0.0000  -4.4228   17.815  ?   ?    8.4401   3.7869 0.000000 3.786865 
1 1 1   22    8  -43 o   13.846   2.9536   28.056   10.649   25.503   13.257   32.700   17.878   13.036   3.6445   14.576   4.2833 -1.540895 5.623981 
1 1 1   22    8  -42 o   36.038   1.4018  176.342   13.569  188.675   16.993  154.643   22.540   37.181   1.7016   33.248   2.5433 3.932869 3.060031 
1 1 1   22    8  -41 o   29.910   1.3638  121.302   10.956  121.580   15.576  121.030   15.414   29.733   1.9614   29.672   1.9449 0.6157684E-01 2.762242 
1 1 1   22    8  -40 o   28.723   1.3654  111.807   10.534  114.595   14.810  108.953   14.985   28.892   1.9194   28.144   1.9952 0.7480812 2.768587 
1 1 1   22    8  -39 o   37.423   1.1966  189.350   12.027  187.927   17.144  190.728   16.877   37.150   1.7181   37.438   1.6784 -0.2875404 2.401886 
1 1 1   22    8  -38 o   36.659   1.3307  181.975   13.102  185.330   16.895  176.911   20.754   36.899   1.7047   35.842   2.1660 1.056126 2.756351 
1 1 1   22    8  -37 o   25.523   1.9629   89.533   13.353   57.363   20.737  112.322   17.453   19.628   4.0672   28.488   2.3005 -8.860495 4.672711 
1 1 1   22    8  -36 o   7.9582   2.9445   7.1326   8.3422   13.538   11.829   0.7954   11.766   10.171   3.5363   7.6376   3.2563 2.533708 4.807197 
1 1 1   22    8  -35 f   9.1610   3.2148   10.652   9.7868   7.1200   16.283   12.650   12.245   9.7845   3.9703   10.040   3.5886 -0.2555628 5.351775 
1 1 1   22    8  -34 o   39.638   1.4592  212.859   15.535  214.259   20.862  211.118   23.275   39.629   1.9600   39.192   2.2202 0.4369125 2.961533 
1 1 1   22    8  -33 o   58.193   1.0352  456.679   16.180  446.106   22.517  467.967   23.266   57.398   1.4605   58.783   1.4736 -1.385189 2.074756 
1 1 1   22    8  -32 o   51.282   1.0313  354.544   14.206  343.188   19.687  366.880   20.518   50.359   1.4555   52.065   1.4673 -1.705971 2.066725 
1 1 1   22    8  -31 o   30.251   1.2355  123.536   10.038  136.281   14.248  110.974   14.146   31.661   1.6815   28.521   1.8567 3.139343 2.504933 
1 1 1   22    8  -30 o   41.402   1.0600  231.031   11.788  221.234   16.343  241.654   17.019   40.441   1.5046   42.268   1.4991 -1.826263 2.123901 
1 1 1   22    8  -29 o   32.054   1.1525  138.537   9.9224  134.898   14.064  142.143   14.001   31.518   1.6673   32.406   1.6085 -0.8887253 2.316746 
1 1 1   22    8  -28 o   67.226   1.0144  608.737   18.316  593.314   25.751  624.530   26.059   66.267   1.4468   67.993   1.4269 -1.726494 2.032046 
1 1 1   22    8  -27 o   22.887   1.5690   71.152   9.5864   74.923   15.038   68.570   12.442   23.307   2.4383   22.365   2.0957 0.9416828 3.215157 
1 1 1   22    8  -26 o   27.199   1.5860  100.356   11.536   94.537   14.441  110.620   19.178   26.304   2.0604   28.346   2.5462 -2.041487 3.275417 
1 1 1   22    8  -25 o   37.151   1.1491  185.994   11.467  192.990   15.113  176.503   17.602   37.800   1.4886   36.053   1.8237 1.747166 2.354093 
1 1 1   22    8  -24 o   53.237   0.9857  381.534   14.095  373.034   19.782  390.300   20.088   52.576   1.4009   53.781   1.3906 -1.204926 1.973912 
1 1 1   22    8  -23 o   22.063   1.4481   65.973   8.5336   68.958   11.677   62.551   12.502   22.476   1.9537   21.348   2.2125 1.128290 2.951657 
1 1 1   22    8  -22 o   17.206   1.9921   40.633   9.0359   36.027   11.265   48.943   15.131   16.036   2.7120   18.648   3.1320 -2.611734 4.143050 
1 1 1   22    8  -21 o   6.5660   2.7497   1.0827   8.1442   1.7634   10.343  -0.0282   13.212   7.4543   3.1082   8.0471   3.4413 -0.5927410 4.637172 
1 1 1   22    8  -20 o   13.366   2.9379   25.331   10.260   7.7550   25.291   28.793   11.225   11.905   4.9028   14.252   3.0258 -2.347554 5.761322 
1 1 1   22    8  -19 o   66.056   1.2430  587.685   22.054  579.900   47.834  589.787   24.853   65.256   2.7291   66.148   1.3988 -0.8920898 3.066741 
1 1 1   22    8  -18 o   14.953   1.9747   30.748   7.7370   22.151   10.605   40.529   11.312   12.494   3.1586   17.095   2.5410 -4.600867 4.053770 
1 1 1   22    8  -17 o   57.718   0.8798  447.970   13.640  454.409   18.119  439.548   20.721   58.104   1.1610   57.124   1.3505 0.9805069 1.780957 
1 1 1   22    8  -16 o   62.774   0.8306  529.767   14.005  519.397   17.539  548.010   23.262   62.136   1.0509   63.788   1.3578 -1.651810 1.716963 
1 1 1   22    8  -15 o   40.600   0.7478  221.555   8.1542  226.539   10.966  215.390   12.196   41.042   0.9948   40.010   1.1349 1.031521 1.509145 
1 1 1   22    8  -14 o   28.091   0.7832  106.063   5.9092  103.219   8.1299  109.248   8.6040   27.700   1.0927   28.496   1.1241 -0.7961330 1.567706 
1 1 1   22    8  -13 o   70.638   0.9211  670.866   17.476  655.252   26.540  682.819   23.221   69.757   1.4165   71.234   1.2136 -1.477875 1.865338 
1 1 1   22    8  -12 o   69.848   0.8880  655.857   16.659  669.094   24.709  644.827   22.555   70.507   1.3048   69.227   1.2131 1.280037 1.781546 
1 1 1   22    8  -11 o   32.339   0.7844  140.555   6.8131  147.037   9.9159  134.759   9.3769   33.063   1.1166   31.653   1.1029 1.409943 1.569478 
1 1 1   22    8  -10 o   23.938   0.8676   77.027   5.5785   67.144   7.7982   87.385   7.9836   22.299   1.3078   25.488   1.1662 -3.188953 1.752218 
1 1 1   22    8   -9 o   20.665   1.0068   57.418   5.5884   57.064   8.5098   57.686   7.4102   20.526   1.5551   20.660   1.3427 -0.1342678 2.054542 
1 1 1   22    8   -8 o   21.513   0.9653   62.222   5.5778   61.121   7.7380   63.414   8.0475   21.267   1.3618   21.661   1.3905 -0.3939743 1.946286 
1 1 1   22    8   -7 o   45.762   0.7255  281.410   8.9176  285.745   12.736  277.240   12.490   46.100   1.0286   45.409   1.0241 0.6909904 1.451483 
1 1 1   22    8   -6 o   71.712   0.8206  691.146   15.805  710.751   21.580  668.463   23.212   72.700   1.1052   70.493   1.2260 2.206963 1.650581 
1 1 1   22    8   -5 o   73.677   0.8645  729.592   17.108  722.134   22.087  740.778   27.050   73.279   1.1222   74.195   1.3574 -0.9161682 1.761167 
1 1 1   22    8   -4 o   48.045   0.7551  310.184   9.7440  302.293   13.256  319.459   14.372   47.416   1.0408   48.741   1.0978 -1.324413 1.512800 
1 1 1   22    8   -3 o   28.314   0.8383  107.741   6.3753  117.386   9.1138   98.499   8.9212   29.544   1.1485   27.060   1.2274 2.483740 1.680983 
1 1 1   22    8   -2 o   22.247   0.9598   66.531   5.7350   73.528   8.2490   59.984   7.9788   23.340   1.3213   21.064   1.4185 2.275663 1.938545 
1 1 1   22    8   -1 o   47.891   0.7672  308.207   9.8684  305.099   14.833  310.674   13.218   47.630   1.1595   48.071   1.0238 -0.4407883 1.546768 
1 1 1   22    8    0 o   66.142   0.8033  587.915   14.270  613.359   19.513  558.663   20.923   67.540   1.0757   64.448   1.2087 3.092117 1.618029 
1 1 1   22    8    1 o   31.046   0.8160  129.538   6.8046  130.115   9.5843  128.951   9.6627   31.105   1.1472   30.965   1.1618 0.1399441 1.632751 
1 1 1   22    8    2 o   68.768   0.8126  635.531   15.008  664.100   20.624  603.373   21.881   70.276   1.0926   66.976   1.2164 3.300354 1.635053 
1 1 1   22    8    3 o   9.5117   2.1217   12.689   5.2825   10.969   7.0862   14.840   7.9250   8.9727   2.7112   10.300   2.7938 -1.327690 3.893106 
1 1 1   22    8    4 o   86.313   0.8998  1001.37   20.860  1003.40   28.285  998.937   30.889   86.369   1.2193   86.162   1.3347 0.2061920 1.807806 
1 1 1   22    8    5 o   22.968   1.0848   70.934   6.6921   67.508   9.0427   75.082   9.9504   22.341   1.5159   23.560   1.5816 -1.218508 2.190784 
1 1 1   22    8    6 o   9.9905   2.1120   13.978   5.4901   17.613   7.3703   9.4469   8.2286   11.194   2.5130   8.6831   2.9520 2.511002 3.876774 
1 1 1   22    8    7 o   26.520   0.9748   94.556   6.9437  105.211   9.5899   82.813   10.067   27.964   1.2768   24.754   1.5216 3.210430 1.986299 
1 1 1   22    8    8 o   51.373   0.7794  354.681   10.755  362.774   14.490  344.754   16.048   51.942   1.0386   50.626   1.1802 1.315632 1.572128 
1 1 1   22    8    9 o   34.498   0.8836  159.973   8.1871  149.499   10.187  179.074   13.757   33.339   1.1377   36.474   1.4043 -3.134422 1.807314 
1 1 1   22    8   10 o   59.706   0.8344  479.138   13.380  482.106   18.698  476.023   19.156   59.866   1.1628   59.484   1.1990 0.3819733 1.670251 
1 1 1   22    8   11 o   29.409   0.9165  116.277   7.2392  121.963   9.5107  108.445   11.162   30.110   1.1760   28.340   1.4714 1.769304 1.883638 
1 1 1   22    8   12 o   48.851   0.7504  320.714   9.8463  337.120   13.990  304.609   13.861   50.068   1.0403   47.589   1.0844 2.478310 1.502703 
1 1 1   22    8   13 o   81.350   0.9256  889.763   20.224  902.484   28.642  877.116   28.560   81.883   1.3023   80.722   1.3173 1.161140 1.852347 
1 1 1   22    8   14 o   63.675   0.8554  545.066   14.630  544.607   20.530  545.539   20.853   63.616   1.2015   63.669   1.2194 -0.5249786E-01 1.711922 
1 1 1   22    8   15 o   11.142   2.0098   17.280   5.7934   8.3283   8.4253   25.309   7.9791   8.3996   2.9794   13.494   2.2829 -5.094712 3.753416 
1 1 1   22    8   16 o   58.743   0.8106  463.888   12.790  475.605   18.940  454.066   17.341   59.445   1.1862   58.091   1.1114 1.353931 1.625559 
1 1 1   22    8   17 o   42.443   0.8232  242.190   9.3839  239.278   13.670  244.786   12.905   42.160   1.2072   42.649   1.1266 -0.4891129 1.651186 
1 1 1   22    8   18 o   7.0923   2.5088   5.9478   5.9700   3.2685   8.6097   8.4292   8.2854   7.2012   2.8993   8.3855   2.9567 -1.184316 4.140972 
1 1 1   22    8   19 o   73.054   0.8561  717.711   16.798  739.021   24.999  700.172   22.680   74.072   1.2566   72.113   1.1710 1.959122 1.717583 
1 1 1   22    8   20 o   20.980   1.2096   59.483   6.7875   62.286   9.7795   56.877   9.4281   21.405   1.7154   20.446   1.7331 0.9592209 2.438504 
1 1 1   22    8   21 o   65.987   0.8428  585.652   14.938  592.603   22.066  579.771   20.297   66.320   1.2387   65.612   1.1517 0.7074509 1.691437 
1 1 1   22    8   22 o   34.374   0.9106  158.978   8.4072  159.317   12.222  158.674   11.583   34.375   1.3238   34.312   1.2568 0.6269455E-01 1.825363 
1 1 1   22    8   23 o   55.747   0.7912  417.975   11.847  424.422   16.568  411.230   16.946   56.137   1.0988   55.251   1.1419 0.8856812 1.584742 
1 1 1   22    8   24 o   18.814   1.3825   48.017   6.9371   44.641   9.6840   51.575   9.9421   18.028   2.0355   19.414   1.9324 -1.385355 2.806688 
1 1 1   22    8   25 o   32.561   0.9749  142.731   8.5256  133.319   12.505  150.907   11.654   31.418   1.4818   33.449   1.2972 -2.030357 1.969424 
1 1 1   22    8   26 o   48.557   0.9050  317.337   11.802  307.543   16.327  328.056   17.081   47.750   1.2730   49.314   1.2896 -1.564014 1.812063 
1 1 1   22    8   27 o   9.7636   2.4557   13.519   6.4338   6.8981   9.1821   19.904   9.0176   8.1670   3.0757   11.809   2.8709 -3.642240 4.207401 
1 1 1   22    8   28 o   54.904   0.8597  405.694   12.678  410.454   18.717  401.659   17.234   55.157   1.2634   54.579   1.1756 0.5772705 1.725776 
1 1 1   22    8   29 o   31.928   1.0500  137.359   9.0046  137.047   13.509  137.609   12.079   31.824   1.5804   31.914   1.4092 -0.8992195E-01 2.117444 
1 1 1   22    8   30 o   40.340   0.9624  219.185   10.427  206.985   16.492  227.309   13.458   39.105   1.5702   41.043   1.2208 -1.938618 1.988935 
1 1 1   22    8   31 o   75.676   0.9389  771.392   19.084  754.085   29.247  784.224   25.185   74.665   1.4584   76.221   1.2302 -1.556381 1.907935 
1 1 1   22    8   32 o   9.5156   2.6550   12.837   7.0431   27.117   10.123  -0.5590   9.8050   13.775   2.8308   6.8166   2.9405 6.958491 4.081683 
1 1 1   22    8   33 o   24.215   1.2086   79.192   7.8603   78.715   11.319   79.636   10.924   24.002   1.7682   24.160   1.6941 -0.1577473 2.448824 
1 1 1   22    8   34 o   47.870   0.9025  308.777   11.604  316.526   17.045  302.085   15.841   48.376   1.3118   47.276   1.2475 1.100407 1.810313 
1 1 1   22    8   35 f   47.071   1.0230  298.913   12.934  302.522   16.696  293.497   20.453   47.285   1.3146   46.478   1.6384 0.8065414 2.100576 
1 1 1   22    8   36 o   37.743   0.9757  192.125   9.8913  196.327   12.693  185.628   15.784   38.103   1.2402   36.968   1.5897 1.134483 2.016226 
1 1 1   22    8   37 o   32.612   1.0475  143.556   9.1756  131.675   11.604  163.376   14.988   31.175   1.3859   34.672   1.6094 -3.497450 2.123883 
1 1 1   22    8   38 o   47.009   1.0444  298.285   13.187  312.164   18.009  282.240   19.364   47.994   1.3971   45.578   1.5818 2.416336 2.110415 
1 1 1   22    8   39 o   28.800   1.1576  112.096   8.9545  114.720   11.683  108.359   13.942   29.035   1.5032   28.119   1.8564 0.9157581 2.388696 
1 1 1   22    8   40 o   20.745   1.3981   58.604   7.7446   63.830   10.180   51.423   11.933   21.567   1.7731   19.175   2.3672 2.392069 2.957632 
1 1 1   22    8   41 o   12.760   2.2957   23.092   7.5787   28.657   9.6407   14.089   12.262   14.150   2.6335   10.315   3.5996 3.834812 4.460068 
1 1 1   22    8   42 o   19.908   1.5063   54.198   7.9948   55.123   10.142   52.679   12.993   19.969   1.9144   19.300   2.5703 0.6687489 3.204912 
1 1 1   22    8   43 o   13.810   2.2337   27.015   8.0022   34.600   10.478   16.398   12.396   15.541   2.6021   10.795   3.6235 4.746205 4.461047 
1 1 1   22    8   44 o   20.447   1.7745   57.810   9.6490   63.855   13.547   51.585   13.747   21.247   2.4168   18.912   2.7901 2.335354 3.691285 
1 1 1   22    8   45 f   23.062   1.5962   73.240   9.8264   72.419   13.272   74.237   14.619   22.680   2.2066   22.863   2.4172 -0.1824875 3.272968 
1 1 1   22    8   46 o   11.924   3.2269   21.671   10.586   21.118   13.553   22.535   16.955   11.735   3.7815   12.143   4.2331 -0.4075298 5.676132 
1 1 1   22    8   47 o   15.359   3.6385   37.264   14.779   28.296   18.450   53.320   24.688   13.141   4.4206   17.363   5.0137 -4.222265 6.684204 
1 1 1   22    8   48 f   13.619   3.4894   29.526   12.822   12.492   18.396   45.618   17.881   10.303   4.2050   16.599   4.0470 -6.296415 5.836153 
1 1 1   22    8   49 o   9.7994   3.9015   12.393   15.410   13.627   19.217   10.170   25.793   10.413   4.2793   10.712   4.6930 -0.2996693 6.351081 
1 1 1   22    9  -45 o   38.334   3.4387  221.000   35.029   0.0000   0.0000  221.000   35.029  ?   ?    38.334   3.4387 0.000000 3.438694 
1 1 1   22    9  -44 o   17.074   4.1130   46.225   18.638   0.0000   0.0000   46.225   18.638  ?   ?    17.074   4.1130 0.000000 4.113037 
1 1 1   22    9  -43 o   23.167   3.1047   78.292   18.833   0.0000   0.0000   78.292   18.833  ?   ?    23.167   3.1047 0.000000 3.104725 
1 1 1   22    9  -42 o   26.209   1.6788   94.312   11.755   90.560   14.601  101.226   19.820   25.502   2.1517   26.649   2.8115 -1.147335 3.540401 
1 1 1   22    9  -41 o   21.044   1.9436   61.270   10.862   55.183   13.415   72.857   18.508   19.736   2.5934   22.465   3.1543 -2.728771 4.083511 
1 1 1   22    9  -40 o   8.5713   3.0102   9.3759   8.5815   14.328   11.614   3.4224   12.735   10.276   3.5071   8.2949   3.4530 1.980850 4.921684 
1 1 1   22    9  -39 o   16.942   2.0648   39.924   9.2018   40.976   12.582   38.714   13.492   16.910   2.8730   16.314   3.1933 0.5958500 4.295527 
1 1 1   22    9  -38 o   11.189   2.8230   18.127   8.4838   23.734   11.791   12.109   12.216   12.714   3.3906   9.8814   3.5777 2.833010 4.929139 
1 1 1   22    9  -37 o   12.154   3.1223   21.540   10.247   15.804   12.267   34.786   18.640   10.737   3.6045   15.182   4.3486 -4.445370 5.648237 
1 1 1   22    9  -36 o   49.051   1.6673  327.419   21.966  342.800   54.616  324.451   23.992   48.335   4.2501   48.762   1.8318 -0.4266357 4.628075 
1 1 1   22    9  -35 o   23.595   1.5403   75.910   9.7078   70.986   13.217   81.677   14.305   22.635   2.2019   24.289   2.2172 -1.653715 3.124796 
1 1 1   22    9  -34 o   13.086   2.7299   24.595   9.2846   17.609   12.252   34.015   14.229   11.189   3.5945   15.203   3.5491 -4.014164 5.051397 
1 1 1   22    9  -33 o   28.136   1.8043  108.247   13.563   93.231   19.378  122.669   18.991   25.755   2.8490   29.763   2.3959 -4.007641 3.722475 
1 1 1   22    9  -32 o   40.144   1.0928  217.488   11.783  233.096   16.756  202.218   16.573   41.468   1.5044   38.601   1.5985 2.867218 2.195113 
1 1 1   22    9  -31 o   6.4734   2.6928   1.5556   7.7371 -11.9669   10.755   16.062   11.139   5.6590   2.6764   10.750   3.4245 -5.091195 4.346343 
1 1 1   22    9  -30 o   47.144   1.0353  299.636   13.109  307.245   18.474  291.918   18.606   47.652   1.4434   46.436   1.4918 1.215611 2.075771 
1 1 1   22    9  -29 o   11.284   2.6787   18.199   7.9971   19.576   10.802   16.530   11.896   11.691   3.2973   10.968   3.5437 0.7235365 4.840458 
1 1 1   22    9  -28 o   44.330   1.0366  264.836   12.342  259.878   17.318  269.953   17.594   43.836   1.4708   44.679   1.4662 -0.8426208 2.076758 
1 1 1   22    9  -27 o   30.258   1.2107  123.510   9.8391  114.651   13.834  132.580   13.997   29.023   1.7833   31.241   1.6741 -2.218407 2.445965 
1 1 1   22    9  -26 o   25.734   1.3186   89.625   9.0837   98.139   12.953   81.385   12.742   26.844   1.8070   24.403   1.9606 2.441429 2.666342 
1 1 1   22    9  -25 o   28.305   1.4506  108.518   10.991  104.508   18.449  110.724   13.684   27.538   2.5223   28.528   1.7951 -0.9900112 3.095840 
1 1 1   22    9  -24 o   35.653   1.4226  171.668   13.623  182.017   14.789  113.700   35.002   36.701   1.5003   27.874   4.8515 8.826933 5.078172 
1 1 1   22    9  -23 o   23.782   1.6413   76.862   10.420   68.264   14.733   85.468   14.740   22.225   2.5121   24.968   2.2212 -2.743687 3.353268 
1 1 1   22    9  -22 o   22.518   1.4477   68.740   8.7094   72.786   12.829   65.281   11.862   23.059   2.0942   21.837   2.0463 1.221498 2.927921 
1 1 1   22    9  -21 o   34.235   1.2469  158.004   11.466  157.651   14.359  158.625   19.047   34.159   1.5651   34.123   2.0882 0.3621292E-01 2.609601 
1 1 1   22    9  -20 o   31.493   1.1459  133.611   9.6927  135.555   13.802  131.718   13.615   31.631   1.6301   31.178   1.6315 0.4522305 2.306312 
1 1 1   22    9  -19 o   17.270   1.6919   40.691   7.7472   44.407   11.237   37.325   10.696   17.917   2.3949   16.375   2.5120 1.542215 3.470712 
1 1 1   22    9  -18 o   84.755   1.1248  967.300   25.606  979.719   38.575  957.517   34.237   85.155   1.6866   84.234   1.5133 0.9210663 2.265927 
1 1 1   22    9  -17 o   38.174   0.8859  196.009   9.0836  195.577   11.634  196.684   14.538   38.112   1.1365   38.192   1.4172 -0.8025742E-01 1.816625 
1 1 1   22    9  -16 o   18.620   1.1703   46.865   5.8229   45.432   6.8494   50.601   11.058   18.305   1.4038   19.204   2.1826 -0.8983612 2.595107 
1 1 1   22    9  -15 o   43.943   0.7182  259.566   8.4764  265.155   11.952  253.910   12.023   44.394   1.0024   43.440   1.0305 0.9537811 1.437563 
1 1 1   22    9  -14 o   34.150   0.7609  156.776   6.9791  150.906   9.6069  163.337   10.156   33.489   1.0680   34.840   1.0853 -1.351028 1.522697 
1 1 1   22    9  -13 o   67.488   0.8066  612.315   14.621  611.808   19.690  612.938   21.830   67.431   1.0871   67.478   1.2045 -0.4744720E-01 1.622522 
1 1 1   22    9  -12 o   25.863   0.9902   89.968   6.8787  105.598   12.257   82.782   8.3108   27.935   1.6408   24.766   1.2535 3.168985 2.064823 
1 1 1   22    9  -11 o   9.8142   2.1474   13.528   5.5032   15.688   6.8089   9.4581   9.3455   10.552   2.4495   8.8959   3.1397 1.656573 3.982204 
1 1 1   22    9  -10 o   18.681   1.1474   47.133   5.7292   47.766   9.0543   46.710   7.3987   18.727   1.8232   18.560   1.4969 0.1669769 2.359002 
1 1 1   22    9   -9 o   30.229   0.8248  122.837   6.6968  124.266   9.2676  121.277   9.6877   30.391   1.1353   30.020   1.2015 0.3709755 1.653031 
1 1 1   22    9   -8 o   61.989   0.7495  516.453   12.479  527.777   17.790  505.484   17.508   62.641   1.0573   61.304   1.0633 1.337730 1.499550 
1 1 1   22    9   -7 o   25.011   0.8835   84.096   5.9351   79.324   8.4873   88.662   8.3028   24.241   1.3084   25.670   1.2042 -1.428736 1.778235 
1 1 1   22    9   -6 o   75.163   0.8376  759.392   16.910  762.010   25.246  757.261   22.774   75.250   1.2491   75.029   1.1301 0.2209625 1.684466 
1 1 1   22    9   -5 o   62.543   0.7928  525.739   13.317  554.780   20.297  503.789   17.646   64.216   1.1768   61.203   1.0735 3.013084 1.592867 
1 1 1   22    9   -4 o   57.941   0.8292  451.242   12.905  437.587   18.217  464.997   18.284   57.031   1.1893   58.793   1.1578 -1.761806 1.659784 
1 1 1   22    9   -3 o   47.959   0.8526  309.169   10.983  301.543   14.935  318.149   16.207   47.344   1.1745   48.625   1.2409 -1.281311 1.708591 
1 1 1   22    9   -2 o   17.346   1.3055   40.723   6.0377   52.040   9.2720   32.391   7.9556   19.566   1.7839   15.369   1.9728 4.197032 2.659781 
1 1 1   22    9   -1 o  126.236   1.2041  2143.95   40.828  2141.26   57.650  2146.66   57.828  126.043   1.7029  126.201   1.7060 -0.1581497 2.410471 
1 1 1   22    9    0 o   63.381   0.7988  539.907   13.599  550.394   20.421  531.552   18.228   63.962   1.1887   62.868   1.0795 1.094669 1.605712 
1 1 1   22    9    1 o   25.273   0.9749   85.879   6.6180   99.996   10.284   75.901   8.6462   27.217   1.4116   23.707   1.3636 3.510204 1.962676 
1 1 1   22    9    2 o   26.618   0.9614   95.259   6.8730  102.075   10.658   90.406   8.9927   27.496   1.4483   25.919   1.2918 1.576687 1.940652 
1 1 1   22    9    3 o   32.185   0.9021  139.260   7.7982  121.731   12.269  151.143   10.101   30.025   1.5264   33.521   1.1219 -3.496447 1.894336 
1 1 1   22    9    4 o   48.005   0.8463  309.759   10.911  326.758   16.916  297.644   14.280   49.275   1.2781   47.040   1.1302 2.235741 1.706132 
1 1 1   22    9    5 o   40.702   0.8061  222.664   8.8127  233.611   13.283  214.056   11.778   41.670   1.1868   39.893   1.0993 1.776943 1.617684 
1 1 1   22    9    6 o   15.841   1.3129   34.008   5.5357   42.173   7.8348   25.869   7.8225   17.610   1.6767   13.666   2.2064 3.943982 2.771178 
1 1 1   22    9    7 o   28.210   0.8880  106.986   6.7287  106.683   9.5733  107.282   9.4594   28.155   1.2660   28.235   1.2474 -0.7973671E-01 1.777226 
1 1 1   22    9    8 o   71.587   0.8695  688.938   16.718  698.638   23.518  679.028   23.770   72.054   1.2152   71.032   1.2459 1.022110 1.740411 
1 1 1   22    9    9 o   30.658   0.8573  126.355   7.0595  118.178   9.7424  135.396   10.244   29.633   1.2240   31.720   1.2024 -2.086412 1.715793 
1 1 1   22    9   10 o   41.098   0.8082  227.049   8.9216  231.745   12.088  221.429   13.222   41.505   1.0843   40.562   1.2136 0.9430542 1.627470 
1 1 1   22    9   11 o   14.915   1.4908   30.271   5.8923   32.289   8.2488   28.169   8.4196   15.323   2.0561   14.254   2.2756 1.068714 3.066951 
1 1 1   22    9   12 o   59.966   0.8488  483.464   13.671  476.535   19.085  490.767   19.593   59.502   1.1942   60.383   1.2081 -0.8804131 1.698684 
1 1 1   22    9   13 o   64.965   0.8229  567.415   14.358  561.172   19.139  575.451   21.715   64.578   1.1034   65.378   1.2366 -0.7999115 1.657341 
1 1 1   22    9   14 o   9.1039   2.3216   11.662   5.6946   6.1935   8.0967   17.015   8.0108   7.7439   2.8937   10.973   2.7293 -3.229273 3.977804 
1 1 1   22    9   15 o   54.323   0.8077  396.777   11.785  388.990   17.253  403.587   16.136   53.750   1.1951   54.760   1.0971 -1.010300 1.622309 
1 1 1   22    9   16 o   71.579   0.8495  689.011   16.332  703.356   24.294  677.182   22.061   72.262   1.2517   70.920   1.1581 1.342087 1.705274 
1 1 1   22    9   17 o   64.575   0.8924  560.902   15.479  568.082   23.201  555.143   20.779   64.924   1.3305   64.200   1.2050 0.7231445 1.795058 
1 1 1   22    9   18 o   24.913   1.0541   83.548   7.0535   98.463   10.435   71.002   9.5709   26.979   1.4453   22.881   1.5668 4.098242 2.131602 
1 1 1   22    9   19 o   42.684   0.8378  245.066   9.6056  249.216   14.136  241.505   13.093   43.006   1.2238   42.344   1.1512 0.6624641 1.680150 
1 1 1   22    9   20 o   50.637   0.7890  344.847   10.731  351.777   15.003  337.588   15.354   51.108   1.0929   50.061   1.1419 1.047791 1.580636 
1 1 1   22    9   21 o   26.007   0.9981   91.057   6.9718   97.300   9.6489   84.237   10.085   26.858   1.3376   24.929   1.5133 1.928263 2.019692 
1 1 1   22    9   22 o   18.995   1.3859   48.951   7.0222   56.237   9.8701   41.482   9.9927   20.296   1.8303   17.335   2.1954 2.960566 2.858253 
1 1 1   22    9   23 o   48.205   0.8410  312.654   10.889  304.527   15.815  319.978   15.014   47.522   1.2390   48.726   1.1472 -1.204826 1.688582 
1 1 1   22    9   24 o   28.503   1.1599  109.508   8.8798  122.874   11.583   90.455   13.829   30.163   1.4297   25.732   2.0171 4.430937 2.472438 
1 1 1   22    9   25 o   32.660   0.9147  143.590   8.0234  142.897   10.956  144.391   11.783   32.547   1.2533   32.706   1.3413 -0.1591415 1.835724 
1 1 1   22    9   26 o   26.466   1.0953   94.401   7.7863   91.300   11.068   97.439   10.956   25.928   1.5970   26.801   1.5283 -0.8728275 2.210509 
1 1 1   22    9   27 o   19.453   1.3953   51.385   7.2418   53.824   10.425   49.109   10.067   19.804   1.9867   18.902   2.0140 0.9019890 2.829006 
1 1 1   22    9   28 o   25.729   1.1461   89.278   7.9204   79.793   10.875   99.991   11.558   24.208   1.6831   27.130   1.5931 -2.921902 2.317526 
1 1 1   22    9   29 o   37.215   0.8933  186.502   8.9288  180.437   12.124  193.689   13.198   36.560   1.2347   37.868   1.2976 -1.308460 1.791202 
1 1 1   22    9   30 o   57.878   0.8217  450.976   12.774  448.553   17.724  453.595   18.426   57.656   1.1445   57.970   1.1834 -0.3136635 1.646327 
1 1 1   22    9   31 o   42.312   0.8522  241.108   9.6851  253.726   13.482  227.652   13.922   43.354   1.1578   41.046   1.2628 2.308113 1.713262 
1 1 1   22    9   32 o   29.173   1.0691  114.833   8.3771  121.817   10.732  103.942   13.402   30.008   1.3315   27.575   1.8198 2.433275 2.254893 
1 1 1   22    9   33 o   25.813   1.1770   90.024   8.1600   84.480   10.500   98.481   12.967   24.897   1.5783   26.830   1.8100 -1.932526 2.401438 
1 1 1   22    9   34 o   65.604   1.0906  581.126   19.216  591.322   26.704  570.176   27.674   66.015   1.5061   64.786   1.5904 1.229317 2.190312 
1 1 1   22    9   35 o   25.435   1.3143   87.817   8.9485   88.331   12.092   87.195   13.305   25.397   1.7840   25.175   1.9837 0.2220516 2.667861 
1 1 1   22    9   36 o   8.0037   2.7699   8.1810   7.2537   25.066   10.144  -9.4891   10.377   13.150   2.9452   5.7626   2.6949 7.387086 3.992086 
1 1 1   22    9   37 o   29.449   1.1886  117.265   9.4014  120.200   13.520  114.517   13.082   29.662   1.7041   28.955   1.6895 0.7078419 2.399675 
1 1 1   22    9   38 o   32.086   1.0864  139.060   9.3628  130.577   13.327  147.327   13.156   30.946   1.6090   32.944   1.4869 -1.997646 2.190789 
1 1 1   22    9   39 o   18.450   1.6383   46.687   8.0340   62.718   11.475   31.271   11.252   21.298   2.0305   14.702   2.9521 6.596097 3.582988 
1 1 1   22    9   40 o   7.4104   2.7141   6.3592   7.0592   0.5132   9.0180   15.610   11.344   6.6820   2.8499   10.562   3.4636 -3.880047 4.485347 
1 1 1   22    9   41 o   23.492   1.4966   75.383   9.3943   92.375   11.528   41.785   16.210   25.966   1.6616   16.694   3.7113 9.272741 4.066291 
1 1 1   22    9   42 o   9.2522   3.0793   11.808   8.9539   19.299   11.971   2.2942   13.491   11.457   3.5360   8.2523   3.5017 3.205120 4.976438 
1 1 1   22    9   43 o   15.808   2.0936   35.189   8.6702   35.552   11.925   34.783   12.628   15.554   2.9627   15.289   3.1788 0.2644911 4.345336 
1 1 1   22    9   44 o   24.929   1.4787   85.290   9.8570  104.109   13.431   63.322   14.511   27.397   1.8359   20.970   2.6345 6.426508 3.211075 
1 1 1   22    9   45 o   11.261   3.7617   19.192   13.359   32.320   19.652   7.9151   18.215   14.011   4.5571   9.8354   4.1150 4.175711 6.140036 
1 1 1   22    9   46 o   13.946   3.4212   30.456   12.718   38.412   18.594   23.463   17.434   15.122   4.3467   12.167   4.2890 2.955459 6.106497 
1 1 1   22    9   47 o   7.1468   3.2623  -5.0079   13.920 -14.5708   17.597   10.980   22.753   7.1807   3.4041   10.597   4.5234 -3.416480 5.661252 
1 1 1   22    9   48 o   11.858   3.7076   23.123   13.112   12.217   19.080   32.883   18.050   10.168   4.2292   13.658   4.3602 -3.489865 6.074308 
1 1 1   22   10  -43 o   31.262   2.5724  139.762   21.408   0.0000   0.0000  139.762   21.408  ?   ?    31.262   2.5724 0.000000 2.572387 
1 1 1   22   10  -42 o   15.230   4.2412   36.777   17.991   0.0000   0.0000   36.777   17.991  ?   ?    15.230   4.2412 0.000000 4.241222 
1 1 1   22   10  -41 f   10.608   3.2719   16.406   10.251   23.417   12.591   2.6180   17.656   12.477   3.5741   9.2460   3.9666 3.230556 5.339327 
1 1 1   22   10  -40 o   23.339   1.8061   75.050   11.233   74.621   13.772   75.903   19.418   23.114   2.2467   22.852   3.2557 0.2626801 3.955694 
1 1 1   22   10  -39 o   12.888   2.6312   23.949   8.8004   32.828   12.377   14.869   12.516   14.959   3.1785   10.491   3.6380 4.467897 4.830953 
1 1 1   22   10  -38 o   25.929   1.4555   91.586   10.095   93.863   13.916   89.056   14.667   26.088   2.0013   25.347   2.1756 0.7411976 2.956081 
1 1 1   22   10  -37 o   40.206   1.1241  218.500   12.139  229.723   17.251  207.491   17.086   41.103   1.5626   39.042   1.6293 2.060635 2.257529 
1 1 1   22   10  -36 o   14.789   2.4473   30.979   9.3810   43.241   12.321   14.064   14.470   17.439   2.7190   10.629   3.8869 6.810052 4.743581 
1 1 1   22   10  -35 o   21.677   2.0723   65.004   11.919   84.226   18.435   51.199   15.623   24.401   2.8675   18.825   3.2046 5.575809 4.300220 
1 1 1   22   10  -34 o   12.223   2.6797   21.521   8.5546   16.943   11.905   26.409   12.301   10.973   3.5451   13.395   3.4101 -2.421655 4.918994 
1 1 1   22   10  -33 o   5.4176   2.5110  -6.9528   8.6967  -6.9770   11.701  -6.9228   13.000   6.5220   2.9825   6.9536   3.1658 -0.4315305 4.349451 
1 1 1   22   10  -32 o   47.747   1.2449  308.354   15.965  298.776   26.727  313.667   19.906   46.679   2.1317   48.065   1.5419 -1.385559 2.630930 
1 1 1   22   10  -31 o   47.732   1.3082  308.283   16.771  300.135   23.422  316.856   24.026   46.918   1.8586   48.208   1.8555 -1.290432 2.626295 
1 1 1   22   10  -30 o   15.553   2.0733   33.614   8.4450   37.032   11.866   30.105   12.022   16.121   2.8444   14.408   3.1907 1.712083 4.274475 
1 1 1   22   10  -29 o   40.959   1.0795  226.331   11.876  238.013   16.708  214.403   16.883   41.919   1.4840   39.762   1.5808 2.156261 2.168225 
1 1 1   22   10  -28 o   36.065   1.1358  175.509   11.002  168.985   15.366  182.374   15.761   35.302   1.6205   36.678   1.5999 -1.376289 2.277233 
1 1 1   22   10  -27 o   41.419   1.1494  231.449   12.787  222.176   16.639  244.824   19.985   40.509   1.5293   42.470   1.7520 -1.960865 2.325516 
1 1 1   22   10  -26 o   12.330   2.6681   21.668   8.5795   27.676   13.191   17.263   11.295   13.812   3.5396   11.106   3.4359 2.705632 4.933011 
1 1 1   22   10  -25 o   30.044   1.2693  121.844   10.243  123.546   15.264  120.451   13.816   30.101   1.8976   29.757   1.7362 0.3442612 2.572022 
1 1 1   22   10  -24 o   17.930   2.1490   44.382   10.143   59.786   16.910   35.725   12.676   20.570   3.1618   15.826   3.0930 4.743999 4.423056 
1 1 1   22   10  -23 o   53.786   1.0037  389.675   14.500  382.732   20.431  396.721   20.582   53.224   1.4292   54.191   1.4141 -0.9673958 2.010544 
1 1 1   22   10  -22 o   36.087   1.2755  175.709   12.363  174.357   15.050  178.516   21.680   35.906   1.5605   36.131   2.2451 -0.2249489 2.734160 
1 1 1   22   10  -21 o   31.955   1.3431  137.821   11.528  142.860   13.809  126.237   20.937   32.502   1.5818   30.270   2.6005 2.232582 3.043826 
1 1 1   22   10  -20 o   24.672   1.4925   82.533   9.8438   85.269   12.388   77.846   16.214   25.015   1.8571   23.730   2.5858 1.284576 3.183546 
1 1 1   22   10  -19 f   42.997   1.0417  248.984   12.030  258.294   16.421  238.197   17.675   43.745   1.3976   41.981   1.5675 1.763641 2.100085 
1 1 1   22   10  -18 o   45.299   0.8115  276.024   9.8728  277.518   12.206  273.195   16.791   45.402   1.0009   44.994   1.3894 0.4071465 1.712383 
1 1 1   22   10  -17 o   48.662   0.8201  318.518   10.719  320.840   13.368  314.339   17.937   48.817   1.0195   48.270   1.3835 0.5475960 1.718612 
1 1 1   22   10  -16 o   21.756   0.9834   63.709   5.7468   65.772   8.6332   62.067   7.7010   22.028   1.4676   21.412   1.3459 0.6160393 1.991295 
1 1 1   22   10  -15 o   21.135   1.0052   60.124   5.7065   70.043   8.0396   50.051   8.1013   22.756   1.3210   19.188   1.5862 3.568245 2.064228 
1 1 1   22   10  -14 o   40.129   0.7937  216.551   8.5548  211.451   12.662  220.835   11.604   39.621   1.1898   40.503   1.0666 -0.8814850 1.597943 
1 1 1   22   10  -13 o   35.052   0.8032  165.220   7.5621  164.149   11.213  166.113   10.242   34.911   1.1958   35.128   1.0855 -0.2171478 1.615004 
1 1 1   22   10  -12 o   68.856   0.8122  637.520   15.022  633.094   22.402  641.136   20.249   68.562   1.2165   69.015   1.0923 -0.4530411 1.634945 
1 1 1   22   10  -11 o   51.139   0.7780  351.604   10.687  365.313   16.328  341.331   14.135   52.090   1.1670   50.364   1.0449 1.726318 1.566478 
1 1 1   22   10  -10 o   39.410   0.9452  208.909   10.005  216.086   17.949  205.675   12.050   40.014   1.6701   39.089   1.1477 0.9250031 2.026446 
1 1 1   22   10   -9 o   84.669   1.0408  964.532   23.670  1012.40   39.762  938.257   29.458   86.608   1.7093   83.462   1.3141 3.146523 2.156024 
1 1 1   22   10   -8 o   24.562   1.0290   81.160   6.7883   83.170   11.165   79.982   8.5503   24.770   1.6882   24.334   1.3131 0.4363747 2.138707 
1 1 1   22   10   -7 o   31.288   0.8255  131.612   6.9373  126.839   11.017  134.748   8.9301   30.688   1.3366   31.648   1.0506 -0.9597721 1.700067 
1 1 1   22   10   -6 o   26.184   0.9139   92.195   6.4272   77.186   10.096  102.423   8.3341   23.875   1.5835   27.589   1.1247 -3.714182 1.942230 
1 1 1   22   10   -5 o   40.148   0.7600  216.658   8.1957  212.617   12.902  219.391   10.612   39.744   1.2086   40.388   0.9782 -0.6439476 1.554880 
1 1 1   22   10   -4 o   51.774   0.7525  360.303   10.465  371.938   16.490  352.458   13.541   52.572   1.1678   51.192   0.9848 1.379772 1.527653 
1 1 1   22   10   -3 o   31.070   0.9270  129.809   7.7361  134.894   11.265  125.270   10.642   31.651   1.3252   30.503   1.2990 1.148397 1.855623 
1 1 1   22   10   -2 o   35.094   0.9646  165.627   9.0920  150.717   11.972  185.945   13.976   33.456   1.3323   37.155   1.4004 -3.699638 1.932911 
1 1 1   22   10   -1 o   45.910   0.7857  283.326   9.6886  292.233   14.722  276.521   12.868   46.600   1.1762   45.339   1.0567 1.260998 1.581166 
1 1 1   22   10    0 o   40.136   0.7884  216.536   8.4992  229.923   13.350  207.412   11.022   41.332   1.2025   39.267   1.0450 2.065086 1.593140 
1 1 1   22   10    1 o   25.051   0.9929   84.403   6.6808   88.919   10.586   81.413   8.6125   25.640   1.5444   24.555   1.3106 1.084465 2.025535 
1 1 1   22   10    2 o   78.248   0.8678  823.197   18.238  835.126   30.343  816.450   22.820   78.736   1.4348   77.901   1.0907 0.8345871 1.802290 
1 1 1   22   10    3 o   44.257   0.7970  263.297   9.4743  255.977   14.278  269.056   12.664   43.609   1.2190   44.722   1.0543 -1.112877 1.611650 
1 1 1   22   10    4 o   14.267   1.5479   27.754   5.8362   28.017   9.1619   27.574   7.5710   14.172   2.4981   14.139   2.0537 0.3338814E-01 3.233901 
1 1 1   22   10    5 o   17.871   1.2538   43.203   5.9798   45.861   9.3004   41.331   7.8076   18.329   1.9176   17.424   1.6896 0.9051895 2.555724 
1 1 1   22   10    6 o   65.431   0.7870  575.508   13.831  568.952   21.343  580.253   18.159   65.012   1.2223   65.677   1.0294 -0.6650467 1.598032 
1 1 1   22   10    7 o  124.953   1.0960  2100.87   36.784  2076.90   56.481  2118.52   48.474  124.070   1.6949  125.388   1.4393 -1.318184 2.223577 
1 1 1   22   10    8 o   82.362   0.8886  912.184   19.657  922.220   29.291  903.959   26.515   82.748   1.3179   81.944   1.2047 0.8039398 1.785530 
1 1 1   22   10    9 o   78.131   0.9176  820.995   19.256  830.462   27.428  811.793   27.040   78.523   1.3005   77.636   1.2967 0.8869781 1.836519 
1 1 1   22   10   10 o   28.814   0.9529  111.676   7.3746  112.006   10.916  111.400   10.002   28.829   1.4098   28.758   1.2949 0.7020950E-01 1.914224 
1 1 1   22   10   11 o   48.098   0.9056  311.153   11.699  310.645   15.586  311.809   17.706   48.030   1.2081   48.102   1.3705 -0.7137299E-01 1.826954 
1 1 1   22   10   12 o   25.228   1.0240   85.649   6.9388   89.467   9.8106   81.826   9.8152   25.721   1.4256   24.587   1.4934 1.134890 2.064618 
1 1 1   22   10   13 o   32.916   0.8507  145.712   7.5210  145.053   10.374  146.441   10.919   32.819   1.1769   32.972   1.2330 -0.1522675 1.704513 
1 1 1   22   10   14 o  100.753   0.9519  1365.85   25.760  1382.35   36.552  1349.58   36.309  101.264   1.3439  100.055   1.3511 1.209679 1.905635 
1 1 1   22   10   15 o  119.081   1.1124  1909.53   35.581  1923.53   52.899  1897.96   48.082  119.323   1.6506  118.585   1.5096 0.7379303 2.236804 
1 1 1   22   10   16 o   27.837   1.0584  104.337   7.9139  107.372   11.763  101.827   10.697   28.154   1.5617   27.431   1.4570 0.7233887 2.135830 
1 1 1   22   10   17 o   20.663   1.2402   57.755   6.8514   57.455   10.004   58.020   9.4023   20.522   1.8344   20.644   1.7111 -0.1220646 2.508566 
1 1 1   22   10   18 o   15.076   1.6097   31.064   6.4174   30.770   9.2443   31.337   8.9157   14.850   2.3995   15.014   2.2827 -0.1644878 3.311882 
1 1 1   22   10   19 f   42.422   0.8141  242.095   9.2763  242.295   12.835  241.876   13.421   42.406   1.1269   42.362   1.1796 0.4335022E-01 1.631363 
1 1 1   22   10   20 o   33.393   0.9664  150.127   8.6674  142.831   12.136  157.723   12.383   32.527   1.3891   34.186   1.3486 -1.658810 1.936040 
1 1 1   22   10   21 o   31.455   0.9845  133.237   8.3180  140.039   12.331  127.557   11.268   32.201   1.4257   30.739   1.3648 1.461258 1.973627 
1 1 1   22   10   22 o   46.966   0.8507  296.852   10.732  307.999   15.670  287.004   14.729   47.787   1.2208   46.135   1.1886 1.652290 1.703879 
1 1 1   22   10   23 o   26.935   1.2609   97.891   9.1218  106.744   13.898   91.191   12.090   27.990   1.8592   25.883   1.7494 2.106705 2.552839 
1 1 1   22   10   24 o   59.132   0.8397  470.595   13.336  484.341   19.257  457.927   18.487   59.923   1.1965   58.269   1.1812 1.653645 1.681324 
1 1 1   22   10   25 o   41.874   0.8607  236.031   9.6798  242.445   13.773  229.771   13.607   42.390   1.2097   41.264   1.2277 1.125801 1.723548 
1 1 1   22   10   26 o   28.614   0.9882  110.314   7.5950  107.620   10.433  113.351   11.077   28.220   1.3765   28.955   1.4244 -0.7351437 1.980836 
1 1 1   22   10   27 o   5.8608   2.4371   1.1975   6.3338   3.6422   8.4567  -1.9258   9.5588   7.1824   2.8798   6.5079   2.8538 0.6745214 4.054368 
1 1 1   22   10   28 o   26.725   1.0496   96.307   7.5344  106.305   10.181   84.201   11.203   28.041   1.3518   24.854   1.6882 3.186827 2.162705 
1 1 1   22   10   29 o   25.461   1.1500   87.507   7.8642   86.611   10.140   88.860   12.458   25.241   1.5025   25.493   1.8316 -0.2525463 2.369035 
1 1 1   22   10   30 o   56.667   0.9175  432.751   13.964  437.340   19.307  427.718   20.221   56.877   1.2638   56.225   1.3390 0.6518784 1.841236 
1 1 1   22   10   31 o   40.918   0.9213  225.689   10.126  236.656   13.189  209.949   15.802   41.851   1.1733   39.345   1.4953 2.506348 1.900659 
1 1 1   22   10   32 o   39.282   0.9405  208.074   9.9234  202.123   12.673  217.508   15.955   38.662   1.2204   40.041   1.4835 -1.379063 1.920987 
1 1 1   22   10   33 o   12.732   2.3085   22.963   7.6034   26.079   9.9797   18.652   11.739   13.441   2.8527   11.399   3.4989 2.041742 4.514414 
1 1 1   22   10   34 o   34.367   0.9686  159.344   8.9406  166.777   12.009  150.100   13.391   35.100   1.2738   33.249   1.4996 1.851875 1.967545 
1 1 1   22   10   35 o   6.6212   2.5614   4.0898   6.4809   5.3174   8.3805   2.2632   10.222   7.5008   2.9096   7.4047   3.0890 0.9608459E-01 4.243590 
1 1 1   22   10   36 o   7.4212   2.7211   6.3273   7.0986   6.0274   9.2160   6.7646   11.131   7.8895   3.0538   8.5225   3.3400 -0.6330490 4.525655 
1 1 1   22   10   37 o   26.395   1.1514   94.196   8.1625   94.485   10.738   93.800   12.562   26.326   1.5252   26.153   1.7993 0.1722870 2.358742 
1 1 1   22   10   38 o   22.303   1.2975   67.622   7.7387   60.469   10.234   77.173   11.826   20.956   1.8368   23.681   1.8746 -2.725086 2.624518 
1 1 1   22   10   39 o   36.980   0.9587  184.610   9.5219  183.080   12.706  186.570   14.382   36.749   1.2872   37.053   1.4451 -0.3034897 1.935273 
1 1 1   22   10   40 o   13.987   2.1288   27.570   7.7452   12.994   10.631   44.061   11.307   9.7846   3.3552   17.638   2.4533 -7.852927 4.156432 
1 1 1   22   10   41 f   15.757   2.2240   35.085   9.1508   34.708   11.363   35.780   15.436   15.442   2.8444   15.305   3.7778 0.1370935 4.728905 
1 1 1   22   10   42 o   20.897   1.5634   60.086   8.7114   57.614   11.543   63.358   13.278   20.244   2.1560   21.139   2.3800 -0.8953075 3.211359 
1 1 1   22   10   43 o   19.486   2.3418   54.131   12.011   46.505   15.110   67.223   19.798   17.542   3.3287   20.957   3.6498 -3.414589 4.939760 
1 1 1   22   10   44 o   17.574   2.9812   46.101   13.569   53.393   21.327   41.142   17.588   17.918   4.4514   15.917   4.0915 2.001079 6.046050 
1 1 1   22   10   45 o   13.744   4.0488   31.151   15.957   45.828   21.013   11.160   24.524   16.268   4.6025   10.932   4.6820 5.336493 6.565370 
1 1 1   22   10   46 o   8.5240   3.4578   7.4400   12.346  -5.6952   18.557   17.872   16.537   8.1266   3.7309   10.906   4.1230 -2.779328 5.560425 
1 1 1   22   10   47 o   20.915   2.4810   64.595   13.666   57.600   20.680   70.018   18.208   18.164   4.3046   21.074   3.3272 -2.909666 5.440599 
1 1 1   22   11  -42 o   37.861   2.3442  203.206   23.722   0.0000   0.0000  203.206   23.722  ?   ?    37.861   2.3442 0.000000 2.344212 
1 1 1   22   11  -41 o   17.375   4.1096   47.759   18.878   0.0000   0.0000   47.759   18.878  ?   ?    17.375   4.1096 0.000000 4.109563 
1 1 1   22   11  -40 o   34.862   1.5946  166.294   14.931  167.135   20.283  165.299   22.061   34.605   2.1936   34.280   2.4114 0.3251152 3.259850 
1 1 1   22   11  -39 o   17.962   2.2564   45.412   10.646   37.080   12.991   62.446   18.575   15.863   3.1600   20.529   3.4938 -4.666434 4.710891 
1 1 1   22   11  -38 o   10.823   2.9885   17.114   8.9736   34.415   12.577  -0.8305   12.808   15.306   3.1638   7.6304   3.3258 7.675152 4.590292 
1 1 1   22   11  -37 o   9.6838   3.0310   13.254   8.7609   19.070   12.312   7.2868   12.470   11.476   3.5933   8.9014   3.5204 2.574456 5.030465 
1 1 1   22   11  -36 o   5.6328   2.5450  -3.9277   8.2076  -5.8894   11.634  -1.9839   11.581   6.6149   3.0051   7.1224   3.1318 -0.5075369 4.340404 
1 1 1   22   11  -35 o   6.0130   2.6598  -2.2131   8.4733   0.7782   11.821  -5.3743   12.152   7.6208   3.2569   6.8540   3.0967 0.7667837 4.494084 
1 1 1   22   11  -34 o   23.119   2.2137   74.225   13.578   62.299   18.211   89.152   20.375   20.706   3.3921   24.986   3.1029 -4.280027 4.597204 
1 1 1   22   11  -33 o   51.404   1.1376  357.215   15.706  378.787   24.267  341.664   20.603   52.712   1.7140   50.138   1.5300 2.573795 2.297497 
1 1 1   22   11  -32 o   40.185   1.1467  218.301   12.377  214.257   17.268  222.574   17.749   39.680   1.6202   40.439   1.6342 -0.7582741 2.301199 
1 1 1   22   11  -31 o   24.569   1.4804   82.228   9.7235   83.815   13.543   80.539   13.970   24.644   2.0650   24.118   2.1801 0.5266418 3.002844 
1 1 1   22   11  -30 o   52.480   1.4407  373.503   20.307  355.264   28.750  391.662   28.688   50.904   2.1028   53.502   1.9963 -2.598206 2.899527 
1 1 1   22   11  -29 o   66.242   1.1234  592.647   19.988  614.954   31.007  576.788   26.145   67.223   1.7173   65.209   1.4927 2.014702 2.275394 
1 1 1   22   11  -28 o   24.636   1.4909   82.570   9.8187   81.977   14.458   83.078   13.377   24.353   2.2352   24.574   2.0453 -0.2206745 3.029754 
1 1 1   22   11  -27 o   25.516   1.4551   88.459   9.9308   71.521   13.219  110.401   15.046   22.761   2.1894   28.382   1.9863 -5.621241 2.956122 
1 1 1   22   11  -26 o   42.119   1.0611  239.264   12.004  231.703   17.106  246.600   16.850   41.351   1.5402   42.677   1.4700 -1.325596 2.129094 
1 1 1   22   11  -25 f   38.549   1.0765  200.405   11.146  198.224   15.787  202.573   15.740   38.256   1.5364   38.678   1.5151 -0.4219246 2.157793 
1 1 1   22   11  -24 o   29.404   1.2003  116.691   9.4797  119.736   13.658  113.860   13.168   29.659   1.7219   28.924   1.7025 0.7350655 2.421475 
1 1 1   22   11  -23 f   50.699   1.1524  346.721   15.693  335.615   27.298  352.203   19.179   49.646   2.0472   51.046   1.3988 -1.399441 2.479470 
1 1 1   22   11  -22 o   18.429   1.7386   46.448   8.5040   57.311   12.029   35.595   12.024   20.380   2.2342   15.829   2.9364 4.550933 3.689684 
1 1 1   22   11  -21 o   10.037   2.7096   14.304   7.4752   14.773   10.627   13.844   10.517   10.408   3.3479   10.152   3.3353 0.2552452 4.725747 
1 1 1   22   11  -20 o   44.570   1.0979  267.743   13.143  273.616   17.562  260.267   19.815   44.994   1.4532   43.836   1.6829 1.158634 2.223525 
1 1 1   22   11  -19 o   14.097   1.5153   27.170   5.6473   27.728   5.7265   7.4300   34.064   14.241   1.5206   13.198   5.5803 1.042976 5.783722 
1 1 1   22   11  -18 o   25.047   1.0987   84.539   7.3915   87.926   7.7958   54.400   23.254   25.540   1.1364   19.201   4.5742 6.339273 4.713298 
1 1 1   22   11  -17 o   10.176   1.8549   14.466   4.8829   13.052   7.3015   15.610   6.5677   9.6271   2.7094   10.495   2.3841 -0.8681755 3.608952 
1 1 1   22   11  -16 o   35.966   0.7644  173.990   7.3839  184.291   10.280  163.009   10.613   36.991   1.0346   34.779   1.1362 2.211662 1.536657 
1 1 1   22   11  -15 o   33.407   0.7927  150.119   7.1127  155.376   9.7346  144.098   10.418   33.964   1.0671   32.697   1.1863 1.267185 1.595612 
1 1 1   22   11  -14 o   29.931   0.8931  120.556   7.1800  127.269   10.660  114.980   9.7142   30.720   1.2919   29.204   1.2384 1.515841 1.789603 
1 1 1   22   11  -13 o   28.579   1.0094  109.961   7.7481  116.474   13.118  106.471   9.6021   29.303   1.6736   28.102   1.2722 1.201658 2.102236 
1 1 1   22   11  -12 o   33.588   0.8114  151.744   7.3202  150.201   11.556  152.777   9.4602   33.378   1.2890   33.685   1.0456 -0.3073692 1.659789 
1 1 1   22   11  -11 o   19.268   1.2343   50.231   6.3542   70.624   10.453   38.277   8.0027   22.792   1.7201   16.725   1.8104 6.067390 2.497258 
1 1 1   22   11  -10 o   18.375   1.2386   45.701   6.0773   51.545   10.464   42.726   7.4655   19.399   2.0388   17.718   1.5855 1.680853 2.582723 
1 1 1   22   11   -9 o   36.433   0.9431  178.600   9.2284  179.286   17.938  178.354   10.762   36.360   1.8428   36.396   1.1009 -0.3516388E-01 2.146580 
1 1 1   22   11   -8 o   46.781   0.9370  294.431   11.774  289.800   36.372  294.973   12.443   45.947   2.9631   46.819   0.9895 -0.8717461 3.123925 
1 1 1   22   11   -7 o   39.773   0.8549  212.754   9.1324  212.221   14.904  213.075   11.556   39.674   1.3986   39.785   1.0814 -0.1112099 1.767939 
1 1 1   22   11   -6 f   53.441   0.7596  383.982   10.903  384.365   17.167  383.723   14.115   53.423   1.1964   53.403   0.9841 0.2022552E-01 1.549132 
1 1 1   22   11   -5 o   12.478   1.6885   21.402   5.5136   22.490   9.0632   20.763   6.9470   12.611   2.7530   12.195   2.2020 0.4160070 3.525341 
1 1 1   22   11   -4 o   11.242   2.1344   17.675   6.2089   20.350   9.1534   15.396   8.4501   11.980   2.8802   10.467   2.9038 1.513270 4.089904 
1 1 1   22   11   -3 o   14.829   1.5713   29.996   6.1628   22.620   9.1069   36.227   8.3707   12.649   2.7582   16.251   1.9571 -3.601830 3.381987 
1 1 1   22   11   -2 o   34.327   0.8716  158.467   8.0364  163.655   11.994  154.241   10.826   34.855   1.2812   33.845   1.1909 1.010269 1.749175 
1 1 1   22   11   -1 o   27.814   1.0133  104.089   7.5695  105.798   10.947  102.524   10.478   27.975   1.4621   27.542   1.4212 0.4324074 2.039002 
1 1 1   22   11    0 o   48.317   0.8352  313.920   10.839  317.064   17.393  311.924   13.859   48.510   1.3349   48.143   1.0718 0.3666878 1.711941 
1 1 1   22   11    1 o   52.826   0.8083  375.221   11.469  377.300   19.177  374.064   14.310   52.915   1.3493   52.727   1.0104 0.1884918 1.685714 
1 1 1   22   11    2 o   76.899   0.8583  795.235   17.728  795.174   26.433  795.286   23.900   76.831   1.2809   76.858   1.1577 -0.2686310E-01 1.726596 
1 1 1   22   11    3 o   74.639   0.8200  749.095   16.438  745.145   25.382  751.949   21.574   74.376   1.2706   74.747   1.0746 -0.3709869 1.664084 
1 1 1   22   11    4 o   14.965   1.4788   30.490   5.8661   16.092   9.1009   40.724   7.6726   10.711   3.0285   17.288   1.6733 -6.577431 3.460028 
1 1 1   22   11    5 o   26.122   0.9812   91.811   6.8844   96.618   10.747   88.465   8.9655   26.722   1.5034   25.590   1.3088 1.131868 1.993280 
1 1 1   22   11    6 f   41.890   0.7949  235.954   8.9437  239.574   13.801  233.334   11.743   42.175   1.2184   41.638   1.0500 0.5372772 1.608417 
1 1 1   22   11    7 o   6.6187   2.4078   4.8766   5.5425   12.567   8.3779  -1.1091   7.3910   9.5908   2.9579   5.8406   2.5362 3.750200 3.896319 
1 1 1   22   11    8 o   7.5882   2.4343   7.6427   5.6211   18.715   8.4931  -0.9881   7.4984   11.488   2.7821   5.9074   2.5599 5.580474 3.780611 
1 1 1   22   11    9 o   24.874   1.0316   83.279   6.8922   85.757   10.733   81.540   8.9908   25.152   1.5971   24.554   1.3687 0.5977192 2.103324 
1 1 1   22   11   10 o   27.556   1.1288  102.265   8.3549  103.824   10.850   99.993   13.095   27.701   1.4635   27.131   1.8073 0.5707474 2.325577 
1 1 1   22   11   11 o   50.604   0.7862  344.388   10.686  340.007   16.248  347.728   14.186   50.234   1.2042   50.823   1.0393 -0.5884628 1.590654 
1 1 1   22   11   12 o   57.297   0.8624  441.648   13.272  449.021   18.694  434.153   18.847   57.725   1.2057   56.756   1.2364 0.9687538 1.726938 
1 1 1   22   11   13 o   61.414   0.8277  507.367   13.652  498.507   20.066  515.003   18.629   60.815   1.2284   61.832   1.1217 -1.016819 1.663534 
1 1 1   22   11   14 o   44.115   0.8300  261.812   9.8345  268.011   14.301  256.250   13.545   44.593   1.1940   43.609   1.1565 0.9845657 1.662262 
1 1 1   22   11   15 o   15.384   1.6046   32.336   6.5325   13.556   9.0397   52.862   9.4508   9.9289   3.0742   19.676   1.8086 -9.746586 3.566730 
1 1 1   22   11   16 o   31.350   1.0101  132.351   8.5051  144.121   13.192  123.979   11.126   32.660   1.5039   30.308   1.3668 2.352140 2.032150 
1 1 1   22   11   17 o   17.377   1.5655   41.150   7.2279   43.145   10.699   39.475   9.8032   17.650   2.3125   16.892   2.2140 0.7576637 3.201512 
1 1 1   22   11   18 o   13.953   1.9498   26.924   7.1076   16.975   11.238   33.558   9.1760   11.055   3.4284   15.538   2.2653 -4.483003 4.109169 
1 1 1   22   11   19 o   25.753   1.1024   89.389   7.6252   85.210   10.240   94.591   11.424   25.057   1.5288   26.389   1.6196 -1.331884 2.227209 
1 1 1   22   11   20 o   37.697   0.8881  191.298   8.9917  204.873   12.665  177.502   12.768   38.972   1.2099   36.262   1.3109 2.710499 1.783948 
1 1 1   22   11   21 o   18.408   1.3505   46.006   6.6304   41.082   8.8899   52.180   9.9535   17.283   1.9491   19.508   1.9247 -2.225292 2.739286 
1 1 1   22   11   22 o   55.194   0.9040  410.187   13.402  412.310   18.574  407.882   19.355   55.271   1.2512   54.959   1.3112 0.3110542 1.812364 
1 1 1   22   11   23 f   32.839   0.9229  145.236   8.1405  147.205   11.134  142.975   11.932   33.021   1.2554   32.528   1.3658 0.4935265 1.855047 
1 1 1   22   11   24 o   48.202   0.8206  312.756   10.624  308.105   14.608  317.977   15.478   47.791   1.1380   48.541   1.1872 -0.7499809 1.644543 
1 1 1   22   11   25 f   45.674   0.8338  280.860   10.229  281.214   14.027  280.459   14.948   45.652   1.1440   45.576   1.2211 0.7627487E-01 1.673259 
1 1 1   22   11   26 o   33.808   1.0293  154.113   9.3466  150.200   12.172  159.738   14.591   33.326   1.3598   34.325   1.5826 -0.9994125 2.086566 
1 1 1   22   11   27 o   6.9841   2.6211   5.1204   6.6568   3.2073   8.3659   8.4223   10.991   7.0421   2.8499   8.8889   3.3610 -1.846828 4.406627 
1 1 1   22   11   28 o   10.509   2.4371   15.790   6.7453   17.252   8.5120   13.324   11.059   10.945   2.8628   10.028   3.4222 0.9166536 4.461768 
1 1 1   22   11   29 o   39.992   0.8832  215.539   9.4864  226.417   12.821  202.381   14.101   40.935   1.1661   38.659   1.3581 2.275757 1.790019 
1 1 1   22   11   30 o   58.617   0.8380  462.974   13.194  452.018   18.107  475.375   19.264   57.830   1.1658   59.291   1.2097 -1.460766 1.679960 
1 1 1   22   11   31 o   49.838   0.8464  334.746   11.330  335.311   15.490  334.095   16.614   49.804   1.1580   49.689   1.2449 0.1157455 1.700182 
1 1 1   22   11   32 o   18.543   1.6404   47.153   8.0858   47.793   10.743   46.318   12.280   18.518   2.2032   18.100   2.6008 0.4186172 3.408527 
1 1 1   22   11   33 o   40.467   0.8992  220.836   9.7731  214.656   13.231  228.258   14.499   39.823   1.2369   41.045   1.3152 -1.221485 1.805465 
1 1 1   22   11   34 o   33.684   0.9752  153.124   8.8223  146.465   11.656  162.054   13.499   32.876   1.3201   34.548   1.4547 -1.672112 1.964383 
1 1 1   22   11   35 o   22.918   1.3109   71.399   8.0356   69.445   10.565   74.080   12.377   22.492   1.7630   23.161   2.0094 -0.6694927 2.673229 
1 1 1   22   11   36 o   7.1758   2.6542   5.7906   6.7778   10.726   8.7378  -1.6645   10.739   8.9693   3.0420   6.8994   3.0252 2.069961 4.290199 
1 1 1   22   11   37 o   8.4159   2.8043   9.5314   7.4254   4.8797   10.007   15.231   11.077   7.8263   3.1346   10.427   3.4227 -2.601080 4.641199 
1 1 1   22   11   38 o   58.287   0.8931  458.466   13.981  459.367   19.533  457.519   20.021   58.211   1.2493   58.079   1.2835 0.1323280 1.791096 
1 1 1   22   11   39 o   63.795   0.8758  549.336   15.006  568.507   20.971  529.220   21.482   64.752   1.2058   62.436   1.2810 2.315746 1.759210 
1 1 1   22   11   40 o   7.4766   2.8882   5.6936   8.2307  -4.5901   10.651   20.937   12.968   6.3927   2.8927   11.829   3.6852 -5.436680 4.684928 
1 1 1   22   11   41 o   21.995   1.8803   67.338   11.001   71.031   13.889   61.119   18.024   22.382   2.3451   20.143   3.4558 2.238668 4.176404 
1 1 1   22   11   42 o   16.265   3.6459   41.213   15.534   27.466   21.554   56.070   22.407   13.172   4.7550   18.384   4.5599 -5.211330 6.588101 
1 1 1   22   11   43 o   19.594   3.1527   57.990   16.029   84.940   42.466   53.513   17.309   19.844   6.7064   18.495   3.6140 1.348969 7.618179 
1 1 1   22   11   44 o   12.699   3.5429   25.796   12.542   51.473   19.720   8.3542   16.253   17.492   4.2412   9.3919   3.9046 8.100508 5.764857 
1 1 1   22   11   45 o   9.9293   3.6454   14.535   12.746  -5.1271   18.901   30.933   17.261   8.2082   3.7672   13.367   4.2634 -5.158599 5.689351 
1 1 1   22   11   46 o   6.6440   3.0559  -5.2759   12.529   15.537   18.771 -21.9982   16.826   10.486   4.2600   6.3635   3.0947 4.122221 5.265458 
1 1 1   22   12  -41 o   11.824   4.8994   16.710   25.470   0.0000   0.0000   16.710   25.470  ?   ?    11.824   4.8994 0.000000 4.899433 
1 1 1   22   12  -40 o   15.805   4.2472   40.415   18.416   0.0000   0.0000   40.415   18.416  ?   ?    15.805   4.2472 0.000000 4.247227 
1 1 1   22   12  -39 o   30.007   1.8754  124.782   15.039  113.223   21.315  136.242   21.223   28.003   2.8746   30.946   2.5768 -2.942591 3.860450 
1 1 1   22   12  -38 o   45.548   1.2623  281.800   15.443  281.356   19.239  282.606   25.892   45.368   1.5788   45.141   2.1355 0.2267990 2.655751 
1 1 1   22   12  -37 o   29.643   1.3560  119.426   10.797  108.523   14.872  131.574   15.698   28.002   1.9904   30.884   1.9017 -2.881901 2.752818 
1 1 1   22   12  -36 o   33.113   1.2571  148.657   11.180  141.502   15.553  156.308   16.083   32.095   1.8116   33.749   1.7805 -1.654633 2.540096 
1 1 1   22   12  -35 o   66.612   1.0783  599.861   19.292  594.555   27.160  605.264   27.408   66.096   1.5299   66.689   1.5301 -0.5924759 2.163756 
1 1 1   22   12  -34 o   43.563   1.1142  256.601   13.036  253.938   18.509  259.221   18.363   43.182   1.5959   43.640   1.5667 -0.4578667 2.236364 
1 1 1   22   12  -33 o   12.963   4.2416   24.528   17.016   51.636   27.304   7.3124   21.758   17.990   5.2952   10.776   4.5020 7.214517 6.950305 
1 1 1   22   12  -32 o   26.068   1.9667   93.653   13.669  107.954   21.197   83.474   17.884   27.601   2.9028   24.287   2.7924 3.314123 4.027822 
1 1 1   22   12  -31 o   9.9076   3.2091   13.673   9.7509   30.225   13.620  -3.7329   13.967   14.260   3.5654   7.6096   3.3879 6.650672 4.918330 
1 1 1   22   12  -30 o   21.073   1.7409   60.971   9.7653   58.828   13.590   63.258   14.041   20.453   2.5278   21.224   2.5118 -0.7715397 3.563530 
1 1 1   22   12  -29 o   56.815   1.1998  436.663   18.308  413.869   22.726  478.809   30.903   55.186   1.5332   59.145   1.9453 -3.959713 2.476887 
1 1 1   22   12  -28 o   11.391   3.1537   18.847   9.9779   44.019   16.843   5.2369   12.385   17.232   3.7459   8.5441   3.4642 8.688280 5.102181 
1 1 1   22   12  -27 o   26.634   1.3268   96.052   9.4920   97.758   13.358   94.311   13.491   26.700   1.8745   26.206   1.9302 0.4936676 2.690660 
1 1 1   22   12  -26 o   39.707   1.0833  212.840   11.553  208.491   16.125  217.428   16.561   39.199   1.5316   40.028   1.5404 -0.8290062 2.172223 
1 1 1   22   12  -25 o   43.193   1.0528  251.707   12.214  264.817   17.427  239.051   17.123   44.207   1.4677   41.988   1.5183 2.218746 2.111712 
1 1 1   22   12  -24 o   38.195   1.0886  196.842   11.168  187.916   16.061  205.197   15.539   37.216   1.6068   38.918   1.4865 -1.702106 2.188911 
1 1 1   22   12  -23 o   36.240   1.1042  177.193   10.748  180.070   15.261  174.361   15.140   36.450   1.5588   35.865   1.5717 0.5851212 2.213574 
1 1 1   22   12  -22 o   28.545   1.3502  110.154   10.352   88.479   16.394  124.528   13.350   25.284   2.4445   30.258   1.6489 -4.973824 2.948649 
1 1 1   22   12  -21 o   24.479   1.3942   81.278   9.1285   83.724   13.854   79.401   12.135   24.691   2.1093   24.093   1.8904 0.5973282 2.832470 
1 1 1   22   12  -20 o   14.524   1.3830   28.767   5.3303   28.768   6.0508   28.767   11.263   14.491   1.5802   14.159   3.0516 0.3324175 3.436466 
1 1 1   22   12  -19 o   20.641   1.1356   57.631   6.2714   61.999   7.4753   47.251   11.524   21.387   1.3076   18.442   2.3822 2.944914 2.717490 
1 1 1   22   12  -18 f   49.473   0.9122  329.575   12.122  331.292   15.768  327.095   18.953   49.556   1.1847   49.190   1.4345 0.3662796 1.860454 
1 1 1   22   12  -17 o   44.039   0.9220  261.148   10.906  263.060   14.150  258.351   17.115   44.160   1.1930   43.715   1.4576 0.4448204 1.883598 
1 1 1   22   12  -16 o   57.899   0.8878  451.282   13.807  451.836   18.649  450.610   20.539   57.877   1.1996   57.771   1.3237 0.1061096 1.786407 
1 1 1   22   12  -15 o   15.625   1.4432   33.267   5.9883   32.533   7.9772   34.215   9.0639   15.352   1.9808   15.700   2.2106 -0.3481817 2.968244 
1 1 1   22   12  -14 o   30.054   0.9593  121.625   7.7440  116.340   13.494  124.221   9.4560   29.256   1.7249   30.354   1.1599 -1.097605 2.078609 
1 1 1   22   12  -13 o   40.383   0.7922  219.395   8.5928  245.218   13.524  201.911   11.128   42.646   1.1807   38.712   1.0702 3.934898 1.593536 
1 1 1   22   12  -12 o   12.492   1.7051   21.506   5.5715   19.067   8.0542   23.744   7.7153   11.579   2.6474   13.019   2.2901 -1.439291 3.500439 
1 1 1   22   12  -11 o   32.734   0.8423  144.176   7.4058  144.842   11.362  143.685   9.7654   32.767   1.2910   32.655   1.1134 0.1122513 1.704776 
1 1 1   22   12  -10 o   33.257   0.8414  148.815   7.5158  144.158   11.709  152.077   9.8012   32.686   1.3337   33.599   1.0861 -0.9123421 1.720016 
1 1 1   22   12   -9 o   11.830   1.7794   19.361   5.4789   13.311   8.5172   23.633   7.1561   9.8061   2.9745   13.029   2.1177 -3.222620 3.651321 
1 1 1   22   12   -8 o   13.788   1.6448   26.065   5.9713   35.994   10.518   21.342   7.2537   16.058   2.5216   12.338   2.2727 3.720715 3.394641 
1 1 1   22   12   -7 o   36.821   0.9030  182.444   8.9301  176.152   15.021  185.884   11.106   36.110   1.5488   37.147   1.1131 -1.037289 1.907290 
1 1 1   22   12   -6 o   40.854   0.9317  224.623   10.224  216.611   15.514  230.773   13.593   40.060   1.4418   41.378   1.2230 -1.318123 1.890705 
1 1 1   22   12   -5 o   43.618   0.9949  256.107   11.656  271.125   17.889  245.028   15.365   44.813   1.4862   42.623   1.3421 2.190552 2.002540 
1 1 1   22   12   -4 o   39.396   0.8623  208.799   9.1240  211.989   16.149  207.303   11.058   39.623   1.5175   39.238   1.0492 0.3848763 1.844888 
1 1 1   22   12   -3 o   8.8599   2.3805   11.045   5.7857   20.734   10.544   6.8710   6.9207   12.068   3.2005   7.6072   2.7001 4.460548 4.187346 
1 1 1   22   12   -2 f   27.806   0.9917  104.070   7.4067  131.484   13.665   92.666   8.8137   31.151   1.6390   26.220   1.2515 4.930048 2.062169 
1 1 1   22   12   -1 o   29.456   1.0971  116.847   8.6797  112.205   16.130  118.738   10.298   28.683   2.1085   29.678   1.2919 -0.9945755 2.472786 
1 1 1   22   12    0 o   21.990   1.2964   65.415   7.6228   61.439   12.161   67.989   9.7835   21.167   2.1696   22.372   1.6396 -1.204853 2.719450 
1 1 1   22   12    1 o   17.025   1.5265   39.446   6.9065   28.028   11.484   45.916   8.6445   14.023   3.1284   18.340   1.7772 -4.316142 3.597969 
1 1 1   22   12    2 f   20.151   1.2358   54.929   6.6563   60.204   10.818   51.715   8.4439   20.994   1.9405   19.497   1.6273 1.497091 2.532495 
1 1 1   22   12    3 o   44.028   0.8177  260.733   9.6700  250.493   15.830  266.828   12.214   43.094   1.3676   44.520   1.0214 -1.425877 1.706964 
1 1 1   22   12    4 o   16.774   1.4031   38.225   6.2633   34.404   10.057   40.646   8.0051   15.712   2.4641   17.248   1.7523 -1.535218 3.023687 
1 1 1   22   12    5 o   13.039   1.7912   23.427   6.1072   5.2587   9.7134   35.304   7.8537   7.9496   3.1188   16.043   1.8570 -8.093477 3.629768 
1 1 1   22   12    6 o   32.588   0.9069  142.904   7.9381  139.026   12.731  145.371   10.154   32.090   1.4771   32.848   1.1509 -0.7582588 1.872489 
1 1 1   22   12    7 o   39.210   0.8801  206.863   9.2685  234.972   16.318  193.475   11.262   41.719   1.4562   37.899   1.1063 3.820797 1.828818 
1 1 1   22   12    8 o   36.678   0.9336  181.067   9.1977  185.422   15.019  178.454   11.634   37.051   1.5092   36.388   1.1904 0.6633530 1.922220 
1 1 1   22   12    9 o   27.472   1.1419  101.693   8.4258  100.382   12.407  102.816   11.479   27.185   1.7079   27.540   1.5582 -0.3548203 2.311910 
1 1 1   22   12   10 o   22.293   1.2132   67.196   7.2370   59.876   11.644   71.804   9.2379   20.891   2.1038   23.006   1.5033 -2.114744 2.585708 
1 1 1   22   12   11 o   51.257   0.8573  353.531   11.803  355.413   20.257  352.565   14.523   51.294   1.4703   51.160   1.0569 0.1337776 1.810757 
1 1 1   22   12   12 o   29.292   0.9920  115.541   7.8043  115.092   12.138  115.857   10.190   29.136   1.5567   29.304   1.2947 -0.1676979 2.024685 
1 1 1   22   12   13 o   70.570   0.9583  670.567   18.164  726.591   36.839  652.572   20.878   73.189   1.8740   69.584   1.1171 3.605080 2.181653 
1 1 1   22   12   14 o   29.746   1.0165  119.185   8.1214  108.171   12.289  127.727   10.822   28.226   1.6279   30.763   1.3097 -2.537039 2.089315 
1 1 1   22   12   15 o   67.879   0.9553  620.469   17.418  631.791   26.378  611.717   23.193   68.378   1.4363   67.325   1.2826 1.053215 1.925570 
1 1 1   22   12   16 o   35.717   1.0745  171.927   10.308  174.234   19.604  171.046   12.119   35.733   2.0512   35.601   1.2674 0.1322250 2.411167 
1 1 1   22   12   17 o   20.812   1.3290   58.724   7.3904   62.917   9.9209   53.497   11.078   21.476   1.7347   19.710   2.1262 1.765440 2.744088 
1 1 1   22   12   18 f   40.173   0.8425  217.230   9.0904  215.051   12.433  219.734   13.325   39.931   1.1592   40.352   1.2295 -0.4216232 1.689788 
1 1 1   22   12   19 o   35.183   0.8923  166.670   8.4318  169.349   11.513  163.571   12.383   35.426   1.2100   34.799   1.3248 0.6261253 1.794240 
1 1 1   22   12   20 o   51.356   0.8624  355.092   11.896  361.837   17.323  349.072   16.366   51.771   1.2458   50.860   1.1981 0.9114304 1.728390 
1 1 1   22   12   21 o   28.726   1.1208  111.308   8.6477  118.502   10.759   98.175   14.535   29.610   1.3528   26.769   2.0369 2.840878 2.445192 
1 1 1   22   12   22 o   49.036   0.8641  323.799   11.381  329.242   15.128  316.702   17.275   49.397   1.1402   48.406   1.3287 0.9906731 1.750880 
1 1 1   22   12   23 o   28.560   1.1308  110.075   8.6741  111.226   10.552  107.676   15.234   28.677   1.3699   28.025   2.0378 0.6517162 2.455461 
1 1 1   22   12   24 o   27.161   1.1046   99.553   8.0586   94.513   10.350  107.311   12.841   26.376   1.4668   28.054   1.7124 -1.677912 2.254754 
1 1 1   22   12   25 o   17.329   1.5752   41.071   7.2514   44.061   8.9651   35.412   12.332   17.884   1.8953   15.698   3.0346 2.185871 3.577812 
1 1 1   22   12   26 o   24.876   1.1822   83.618   7.8987   88.734   11.127   78.422   11.215   25.504   1.6329   23.941   1.7563 1.563818 2.398095 
1 1 1   22   12   27 o   28.346   1.0885  108.501   8.2874  100.709   11.559  116.742   11.888   27.179   1.5903   29.289   1.5164 -2.109518 2.197409 
1 1 1   22   12   28 o   32.604   1.0258  143.491   8.9826  138.350   12.824  148.442   12.586   31.923   1.4957   33.085   1.4163 -1.162363 2.059853 
1 1 1   22   12   29 o   30.542   1.0794  126.015   8.8543  124.880   12.671  127.098   12.378   30.268   1.5640   30.588   1.5066 -0.3202667 2.171610 
1 1 1   22   12   30 o   19.064   1.5225   49.702   7.7312   52.242   10.932   47.161   10.935   19.386   2.1349   18.368   2.2645 1.017088 3.112171 
1 1 1   22   12   31 o   24.555   1.4307   82.121   9.3949   97.608   13.796   68.729   12.829   26.627   1.9424   22.246   2.1750 4.380739 2.916100 
1 1 1   22   12   32 o   21.570   1.3883   63.388   8.0004   64.956   11.302   61.812   11.326   21.686   1.9617   21.133   2.0201 0.5531769 2.815837 
1 1 1   22   12   33 o   13.135   2.1092   24.276   7.1891   31.671   10.023   16.441   10.317   14.892   2.6005   10.701   3.2793 4.190914 4.185293 
1 1 1   22   12   34 o   23.719   1.4759   76.745   9.3560   58.554   14.500   89.720   12.246   20.310   2.7270   25.561   1.7951 -5.251348 3.264811 
1 1 1   22   12   35 o   10.437   2.8588   15.810   8.2501   1.3572   12.560   26.779   10.941   7.9016   3.3665   13.512   3.0830 -5.610122 4.564908 
1 1 1   22   12   36 o   14.083   2.1516   27.950   7.8805   29.415   11.043   26.430   11.249   14.182   2.9931   13.377   3.1779 0.8055353 4.365510 
1 1 1   22   12   37 o   28.599   1.1853  110.846   9.1051  116.384   12.793  105.161   12.962   29.140   1.6412   27.655   1.7541 1.485067 2.402177 
1 1 1   22   12   38 o   5.6332   2.5593  -4.3117   8.4392   8.8809   11.654 -18.8553   12.237   8.9637   3.4438   5.4985   2.6660 3.465281 4.355099 
1 1 1   22   12   39 o   27.927   1.3043  106.169   9.7830  115.638   12.559   91.557   15.601   28.998   1.6190   25.482   2.3044 3.516123 2.816285 
1 1 1   22   12   40 o   7.9551   3.2931   4.2800   11.491   0.5184   16.317   7.9807   16.184   8.5425   3.7378   9.5414   3.9249 -0.9988756 5.419937 
1 1 1   22   12   41 o   10.841   3.6304   17.718   12.444   20.000   19.917   16.257   15.937   11.778   4.5075   10.799   4.0550 0.9793367 6.062997 
1 1 1   22   12   42 o   27.030   2.0246  103.217   14.592   91.538   22.096  112.247   19.431   24.329   3.4807   27.727   2.6411 -3.397934 4.369277 
1 1 1   22   12   43 o   15.333   3.9116   39.038   16.161   10.260   35.565   46.526   18.142   11.721   5.2964   16.635   4.0893 -4.914245 6.691355 
1 1 1   22   12   44 o   18.955   2.6988   53.997   13.352   46.403   19.818   60.310   18.069   16.106   4.4387   19.282   3.6218 -3.176332 5.728807 
1 1 1   22   12   45 o   11.683   4.1440   23.676   16.299   0.0000   0.0000   23.676   16.299  ?   ?    11.683   4.1440 0.000000 4.143993 
1 1 1   22   13  -40 o   17.427   5.4031   56.630   27.913   0.0000   0.0000   56.630   27.913  ?   ?    17.427   5.4031 0.000000 5.403081 
1 1 1   22   13  -39 o   14.377   4.1433   33.600   16.875   0.0000   0.0000   33.600   16.875  ?   ?    14.377   4.1433 0.000000 4.143288 
1 1 1   22   13  -38 o   28.794   1.8980  115.333   14.597  113.051   20.925  117.496   20.372   27.932   2.8281   28.581   2.6852 -0.6491871 3.899844 
1 1 1   22   13  -37 o   6.7848   3.0219  -2.7498   11.124 -20.9808   15.576   16.230   15.892   6.3445   3.0594   10.995   4.0648 -4.650688 5.087492 
1 1 1   22   13  -36 o   25.110   1.9540   87.450   13.074   78.330   17.633   98.587   19.485   23.331   2.8746   26.245   2.8078 -2.913448 4.018374 
1 1 1   22   13  -35 o   14.228   2.4810   28.999   9.1366   27.992   12.785   30.051   13.062   13.653   3.4769   14.151   3.4645 -0.4977036 4.908374 
1 1 1   22   13  -34 o   12.007   2.9468   21.153   9.4323   29.285   13.811   14.043   12.913   13.952   3.6452   10.327   3.6858 3.625150 5.183878 
1 1 1   22   13  -33 o   5.9943   2.6543  -2.2119   8.4600   9.0913   12.081 -13.0903   11.851   9.1608   3.5093   5.8909   2.7930 3.269823 4.485080 
1 1 1   22   13  -32 o   35.851   1.2060  174.037   11.613  165.968   16.526  181.908   16.321   34.801   1.7739   36.517   1.6641 -1.715977 2.432262 
1 1 1   22   13  -31 f   44.442   1.6522  269.330   19.721  273.550   27.668  264.972   28.117   44.403   2.3281   43.651   2.4075 0.7521019 3.349054 
1 1 1   22   13  -30 o   38.111   1.2597  196.796   12.894  207.484   16.976  182.220   19.825   39.020   1.6198   36.361   2.0381 2.659092 2.603380 
1 1 1   22   13  -29 o   39.320   1.2694  209.479   13.407  212.768   17.915  205.294   20.211   39.493   1.6889   38.646   1.9535 0.8470612 2.582339 
1 1 1   22   13  -28 o   17.758   2.1277   43.959   9.9466   46.195   12.189   39.502   17.207   18.060   2.5868   16.170   3.9872 1.889971 4.752797 
1 1 1   22   13  -27 o   6.2226   2.6747  -0.1183   8.0558  -3.6920   11.383   3.4682   11.403   6.8224   3.0464   7.9521   3.2853 -1.129689 4.480358 
1 1 1   22   13  -26 o   15.130   2.5212   32.502   9.8854   65.661   16.991   15.533   12.154   21.432   3.0365   10.644   3.5879 10.78853 4.700329 
1 1 1   22   13  -25 o   34.001   1.3030  156.550   11.899  151.988   18.977  159.505   15.275   33.207   2.1391   34.233   1.6613 -1.025455 2.708430 
1 1 1   22   13  -24 o   23.057   1.5307   72.481   9.4255   68.847   13.478   75.958   13.186   22.264   2.2863   23.449   2.1165 -1.185513 3.115523 
1 1 1   22   13  -23 o   42.656   1.0538  245.557   12.073  238.264   17.154  252.715   16.995   41.906   1.5241   43.175   1.4655 -1.268745 2.114360 
1 1 1   22   13  -22 o   55.199   1.0085  410.951   14.953  396.867   21.115  425.119   21.178   54.121   1.4525   56.029   1.4073 -1.908436 2.022442 
1 1 1   22   13  -21 o   42.517   0.8947  243.550   10.217  237.049   12.900  254.490   16.736   41.902   1.1462   43.351   1.4373 -1.448589 1.838406 
1 1 1   22   13  -20 o   11.158   1.9624   17.448   5.6664   17.954   6.6639   16.125   10.767   11.255   2.2824   10.733   3.3604 0.5225449 4.062204 
1 1 1   22   13  -19 o   20.398   1.2060   56.378   6.5783   47.741   9.2876   65.073   9.3188   18.640   1.8808   21.851   1.5989 -3.210793 2.468558 
1 1 1   22   13  -18 o   10.281   2.1167   14.937   5.6505   8.6442   8.0270   21.118   7.9554   8.3271   2.9120   12.188   2.5136 -3.861053 3.846844 
1 1 1   22   13  -17 o   42.047   0.7898  237.948   8.9190  233.400   13.731  241.267   11.731   41.578   1.2295   42.306   1.0324 -0.7280235 1.605470 
1 1 1   22   13  -16 o   68.130   1.0697  625.821   19.575  659.696   26.594  585.771   28.917   69.846   1.4176   65.741   1.6377 4.105263 2.165979 
1 1 1   22   13  -15 o   33.734   0.8659  153.213   7.8456  141.031   11.448  164.002   10.773   32.311   1.3191   34.868   1.1504 -2.556561 1.750263 
1 1 1   22   13  -14 o   42.838   0.7990  246.966   9.1938  255.242   14.128  240.888   12.108   43.491   1.2095   42.273   1.0664 1.217964 1.612477 
1 1 1   22   13  -13 o   40.006   0.8944  215.492   9.6104  217.298   13.380  213.568   13.813   40.125   1.2415   39.771   1.2931 0.3543167 1.792587 
1 1 1   22   13  -12 o   51.703   0.8522  359.825   11.835  364.096   16.721  355.538   16.753   51.950   1.1984   51.332   1.2151 0.6174927 1.706594 
1 1 1   22   13  -11 o   18.562   1.3860   46.805   6.8604   46.155   9.4679   47.523   9.9545   18.329   1.9533   18.586   2.0269 -0.2567463 2.814894 
1 1 1   22   13  -10 o   20.496   1.2530   56.897   6.8648   51.247   9.3302   63.566   10.136   19.354   1.8161   21.583   1.7640 -2.229103 2.531796 
1 1 1   22   13   -9 o   32.499   0.8592  142.156   7.5001  139.643   11.435  144.053   9.9359   32.161   1.3238   32.688   1.1317 -0.5272369 1.741579 
1 1 1   22   13   -8 o   29.625   0.8996  118.148   7.1577  117.871   11.189  118.339   9.3125   29.538   1.4103   29.624   1.1704 -0.8591843E-01 1.832685 
1 1 1   22   13   -7 o   10.778   2.1778   16.369   6.0873   10.610   9.2471   20.774   8.0867   9.1189   3.1291   12.100   2.5677 -2.981280 4.047746 
1 1 1   22   13   -6 o   16.762   1.6262   38.373   7.2294   33.499   11.325   41.725   9.3920   15.384   2.8455   17.405   2.0482 -2.020730 3.506021 
1 1 1   22   13   -5 o   25.229   1.1235   85.787   7.6130   90.560   12.567   83.020   9.5687   25.782   1.8266   24.748   1.4458 1.034140 2.329580 
1 1 1   22   13   -4 o   43.804   0.9296  258.324   10.937  257.399   16.776  259.009   14.424   43.653   1.4308   43.823   1.2255 -0.1701584 1.883880 
1 1 1   22   13   -3 o   4.2334   1.9971  -6.6109   5.9200  -0.1861   10.291  -9.7886   7.2374   7.0710   3.0308   4.4704   2.1371 2.600571 3.708535 
1 1 1   22   13   -2 o   45.502   0.8542  278.626   10.440  265.164   16.878  286.970   13.287   44.310   1.4181   46.152   1.0719 -1.841583 1.777659 
1 1 1   22   13   -1 o   24.797   1.0431   82.830   6.9472   71.650   10.708   90.956   9.1291   22.935   1.7516   25.929   1.3151 -2.994392 2.190362 
1 1 1   22   13    0 o   10.991   2.2702   17.046   6.4802   25.525   9.5536   9.8200   8.8193   13.413   2.7443   8.8360   3.0545 4.577024 4.106236 
1 1 1   22   13    1 o   33.507   0.9434  151.148   8.4902  161.553   12.220  141.440   11.804   34.600   1.3150   32.370   1.3577 2.230507 1.890114 
1 1 1   22   13    2 o   17.811   1.3901   43.091   6.5975   48.047   9.9593   39.216   8.8070   18.704   2.0142   16.884   1.9796 1.820150 2.824162 
1 1 1   22   13    3 o   9.6617   2.3885   13.235   6.1632   11.326   9.1876   14.797   8.3104   9.3088   3.1195   10.237   2.8938 -0.9285784 4.255037 
1 1 1   22   13    4 o   12.950   1.8125   23.159   6.1314   22.864   9.4048   23.378   8.0860   12.664   2.8356   12.885   2.4255 -0.2211390 3.731399 
1 1 1   22   13    5 o   40.676   0.8506  222.659   9.2934  221.202   13.850  223.852   12.534   40.490   1.2735   40.750   1.1452 -0.2599449 1.712678 
1 1 1   22   13    6 o   39.468   0.8468  209.633   8.9770  197.138   13.243  220.255   12.210   38.221   1.2900   40.424   1.1246 -2.202202 1.711409 
1 1 1   22   13    7 o   46.144   0.9079  286.642   11.253  284.546   15.254  289.144   16.667   45.927   1.2366   46.278   1.3408 -0.3513794 1.824006 
1 1 1   22   13    8 o   57.973   0.7950  452.200   12.378  456.556   18.979  448.976   16.329   58.178   1.2146   57.725   1.0532 0.4535637 1.607613 
1 1 1   22   13    9 o   31.166   0.9339  130.793   7.8173  118.682   11.609  140.839   10.574   29.632   1.4587   32.311   1.2184 -2.679132 1.900563 
1 1 1   22   13   10 o   28.778   0.9676  111.545   7.4794  114.527   11.345  109.253   9.9475   29.108   1.4511   28.448   1.3019 0.6600933 1.949474 
1 1 1   22   13   11 o   10.683   2.4764   16.228   6.9668   22.176   10.068   10.763   9.6503   12.431   3.0406   9.2214   3.1947 3.209308 4.410380 
1 1 1   22   13   12 o   28.684   1.1071  110.927   8.5292  118.787   12.495  104.068   11.671   29.582   1.5783   27.684   1.5762 1.898428 2.230515 
1 1 1   22   13   13 o   46.766   0.8287  294.368   10.409  294.589   15.606  294.190   13.970   46.719   1.2437   46.710   1.1135 0.8533478E-02 1.669347 
1 1 1   22   13   14 o   47.146   0.9051  299.317   11.462  302.114   17.409  297.177   15.228   47.284   1.3708   46.928   1.2081 0.3556633 1.827192 
1 1 1   22   13   15 o   13.618   2.0242   25.773   7.1784   34.556   11.145   19.546   9.3841   15.628   2.7558   11.671   2.9825 3.957522 4.060779 
1 1 1   22   13   16 o   66.694   0.9254  599.117   16.578  595.609   25.720  601.609   21.682   66.359   1.4431   66.763   1.2092 -0.4042969 1.882683 
1 1 1   22   13   17 o   27.633   1.1902  103.059   8.8339  110.729   13.395   97.155   11.752   28.507   1.7580   26.720   1.6455 1.786543 2.407928 
1 1 1   22   13   18 o   28.177   1.2127  107.197   9.1777  105.163   11.587  110.620   15.034   27.819   1.5570   28.432   1.9811 -0.6132870 2.519748 
1 1 1   22   13   19 o   16.397   1.7847   36.952   7.7329   39.593   10.031   33.083   12.141   16.865   2.2722   15.174   3.0839 1.690722 3.830635 
1 1 1   22   13   20 o   42.543   0.9542  243.918   10.903  247.248   13.311  237.128   19.008   42.796   1.1580   41.788   1.6935 1.008331 2.051541 
1 1 1   22   13   21 o   13.859   1.8171   26.566   6.6012   29.151   8.6929   23.045   10.145   14.406   2.3259   12.625   3.0304 1.780959 3.820044 
1 1 1   22   13   22 o   39.696   0.8760  212.310   9.3403  224.668   12.833  198.387   13.621   40.783   1.1715   38.293   1.3243 2.490219 1.768119 
1 1 1   22   13   23 o   12.082   2.0986   20.529   6.5633   22.890   8.9043   17.721   9.7121   12.626   2.7069   11.089   3.1262 1.537781 4.135256 
1 1 1   22   13   24 o   9.1240   2.6693   11.787   6.9570   14.642   9.6819   8.7389   10.003   10.201   3.1853   8.7187   3.2246 1.482195 4.532598 
1 1 1   22   13   25 o   26.392   1.1405   94.137   8.0845   87.259   11.410  101.071   11.457   25.260   1.6915   27.225   1.5734 -1.965498 2.310176 
1 1 1   22   13   26 o   26.636   1.1576   95.928   8.2812   92.845   11.755   98.965   11.668   26.052   1.6891   26.919   1.6213 -0.8671780 2.341285 
1 1 1   22   13   27 o   13.893   2.0099   26.981   7.2819   27.614   10.181   26.318   10.419   13.819   2.8380   13.449   2.9642 0.3702240 4.103722 
1 1 1   22   13   28 o   23.563   1.2674   75.426   7.9916   68.355   11.199   82.761   11.407   22.271   1.8901   24.565   1.7402 -2.294434 2.569176 
1 1 1   22   13   29 o   17.477   1.7718   42.137   8.2024   41.052   12.415   42.977   10.926   16.913   2.8332   17.469   2.3916 -0.5553837 3.707633 
1 1 1   22   13   30 o   11.947   2.5923   20.599   8.0796   19.468   10.359   22.357   12.910   11.528   3.2211   12.311   3.6459 -0.7823210 4.864996 
1 1 1   22   13   31 f   12.179   2.5106   21.321   7.9396   20.463   11.199   22.188   11.257   11.802   3.3675   12.264   3.3312 -0.4623041 4.736703 
1 1 1   22   13   32 o   6.8541   2.6914   4.1256   7.2399  -8.4426   9.7610   19.496   10.794   5.6330   2.6274   11.534   3.3108 -5.900912 4.226688 
1 1 1   22   13   33 o   7.8967   2.7433   8.0160   7.1179   2.4524   8.9851   17.391   11.663   7.0281   2.9109   11.005   3.5040 -3.977202 4.555404 
1 1 1   22   13   34 o   28.064   1.1090  106.568   8.3592   94.773   10.710  124.954   13.372   26.337   1.5205   30.207   1.6544 -3.870636 2.246981 
1 1 1   22   13   35 o   18.654   1.4742   47.681   7.3260   47.905   9.5636   47.361   11.397   18.564   1.9470   18.309   2.3734 0.2543983 3.069841 
1 1 1   22   13   36 o   15.101   1.8833   31.840   7.4725   35.106   9.2284   25.622   12.734   15.748   2.2454   13.014   3.5463 2.733551 4.197391 
1 1 1   22   13   37 o   17.889   1.8582   44.574   8.7980   52.378   10.780   29.008   15.225   19.311   2.1129   13.667   3.9346 5.643629 4.466044 
1 1 1   22   13   38 o   36.682   1.2310  183.128   12.128  180.929   16.914  185.454   17.400   36.224   1.7385   36.659   1.7672 -0.4343491 2.478921 
1 1 1   22   13   39 o   13.306   3.2203   27.129   11.385   31.665   17.098   23.517   15.260   13.947   4.2109   12.242   4.0173 1.704837 5.819812 
1 1 1   22   13   40 o   9.9235   3.6219   13.869   12.556   29.899   19.442   2.4006   16.445   13.364   4.5376   8.6773   3.7755 4.686444 5.902940 
1 1 1   22   13   41 o   6.1923   2.8930  -8.5418   11.911 -30.3081   18.667   6.4091   15.471   6.4117   3.1480   8.9513   3.7713 -2.539536 4.912464 
1 1 1   22   13   42 o   29.480   2.1176  124.469   16.655  135.900   29.769  119.260   20.095   28.743   3.9612   28.343   2.6711 0.3994198 4.777676 
1 1 1   22   13   43 o   10.858   4.1798   18.746   17.192   0.0000   0.0000   18.746   17.192  ?   ?    10.858   4.1798 0.000000 4.179786 
1 1 1   22   14  -38 o   15.443   5.3284   43.520   26.832   0.0000   0.0000   43.520   26.832  ?   ?    15.443   5.3284 0.000000 5.328398 
1 1 1   22   14  -37 o   19.338   2.7947   54.892   14.095   83.310   24.420   40.696   17.260   22.872   4.1270   15.898   4.0351 6.973749 5.771809 
1 1 1   22   14  -36 o   19.223   2.6288   53.404   13.217   56.433   19.317   50.737   18.124   19.013   3.9131   18.038   3.8576 0.9751263 5.494895 
1 1 1   22   14  -35 o   10.558   3.2541   16.422   10.142   13.775   12.792   20.901   16.641   10.138   3.6626   11.955   4.1921 -1.817266 5.566752 
1 1 1   22   14  -34 o   23.321   1.5908   74.693   9.9050   75.940   14.207   73.514   13.817   23.237   2.3068   22.872   2.2794 0.3652821 3.242984 
1 1 1   22   14  -33 o   8.3031   3.0380   8.3499   8.8418   7.1999   12.678   9.4391   12.338   8.8725   3.5368   9.2343   3.5443 -0.3617821 5.007108 
1 1 1   22   14  -32 o   11.670   2.8439   19.943   8.8324   15.462   12.579   24.300   12.404   10.591   3.6487   12.747   3.5111 -2.156600 5.063676 
1 1 1   22   14  -31 o   29.465   1.3242  117.835   10.479  125.574   14.918  110.296   14.724   30.213   1.8472   28.270   1.9511 1.943638 2.686810 
1 1 1   22   14  -30 o   13.905   3.3197   28.669   12.227   8.4507   19.095   42.721   15.919   10.396   4.2683   16.919   3.6129 -6.522803 5.592044 
1 1 1   22   14  -29 o   22.134   1.7714   67.409   10.443   61.785   13.673   75.282   16.177   20.944   2.4787   23.068   2.6597 -2.123785 3.635641 
1 1 1   22   14  -28 o   13.588   2.9457   26.950   10.440   26.392   12.519   28.223   18.920   13.313   3.4668   13.727   4.4718 -0.4138184 5.658240 
1 1 1   22   14  -27 o   6.0350   2.6828  -2.5925   8.7249   1.1714   12.158  -6.5889   12.528   7.7574   3.3088   6.8082   3.1028 0.9492035 4.536049 
1 1 1   22   14  -26 o   36.259   1.1924  177.986   11.612  170.947   15.726  186.427   17.221   35.404   1.6537   36.944   1.7355 -1.539700 2.397245 
1 1 1   22   14  -25 o   20.664   1.6731   58.597   9.2062   51.200   13.014   66.007   13.025   19.010   2.6182   21.756   2.2620 -2.745804 3.460031 
1 1 1   22   14  -24 o   34.779   1.2385  163.785   11.569  163.871   17.268  163.716   15.584   34.561   1.8672   34.655   1.6743 -0.9342194E-01 2.507874 
1 1 1   22   14  -23 o   27.969   1.0119  105.616   7.6016  108.069   9.0804   99.870   13.897   28.263   1.1962   26.945   1.9331 1.317928 2.273293 
1 1 1   22   14  -22 o   25.436   1.0028   87.326   6.8509   78.261   8.1204  109.712   12.761   24.012   1.2635   28.335   1.6843 -4.322300 2.105562 
1 1 1   22   14  -21 o   35.916   1.0060  174.069   9.7045  177.180   12.579  169.496   15.253   36.178   1.2945   35.309   1.6084 0.8691406 2.064573 
1 1 1   22   14  -20 o   34.551   1.0069  161.055   9.3442  152.104   12.062  174.485   14.776   33.517   1.3399   35.853   1.5344 -2.336044 2.037074 
1 1 1   22   14  -19 f   48.741   0.8533  320.059   11.171  336.426   20.850  313.468   13.230   49.787   1.5592   48.203   1.0219 1.583775 1.864231 
1 1 1   22   14  -18 o   20.979   1.1654   59.627   6.5412   68.537   10.056   53.093   8.6121   22.396   1.6841   19.706   1.6421 2.690777 2.352157 
1 1 1   22   14  -17 o   14.501   1.7943   29.026   6.8392   18.740   11.668   34.409   8.4412   11.465   3.4824   15.749   2.0438 -4.283813 4.037817 
1 1 1   22   14  -16 o   55.257   0.7880  411.056   11.696  402.546   17.825  417.488   15.498   54.590   1.2157   55.638   1.0371 -1.048008 1.597971 
1 1 1   22   14  -15 o   18.773   1.3231   47.877   6.6286   49.554   8.9556   45.845   9.8578   19.015   1.7740   18.220   2.0499 0.7943764 2.710970 
1 1 1   22   14  -14 o   38.085   0.9456  195.449   9.6726  191.455   12.742  200.880   14.859   37.645   1.2602   38.527   1.4360 -0.8814201 1.910502 
1 1 1   22   14  -13 f   27.004   0.9703   98.272   7.0376  101.125   10.368   95.834   9.5835   27.304   1.4187   26.592   1.3462 0.7125397 1.955724 
1 1 1   22   14  -12 o   12.207   1.8624   20.705   5.9125   19.048   8.5302   22.238   8.2025   11.526   2.7862   12.512   2.5278 -0.9859638 3.762032 
1 1 1   22   14  -11 o   36.953   0.8641  183.865   8.5758  192.751   12.615  176.229   11.694   37.782   1.2431   36.132   1.2049 1.649509 1.731237 
1 1 1   22   14  -10 o   29.715   0.9529  118.959   7.6054  126.777   11.209  112.289   10.353   30.626   1.3627   28.826   1.3372 1.799530 1.909174 
1 1 1   22   14   -9 f   42.500   0.8654  243.192   9.8787  244.588   14.121  241.854   13.825   42.565   1.2351   42.329   1.2160 0.2351875 1.733271 
1 1 1   22   14   -8 o   23.155   1.2366   72.579   7.6626   78.112   10.253   65.579   11.533   23.961   1.6024   21.865   1.9854 2.095306 2.551384 
1 1 1   22   14   -7 f   6.8603   2.6186   4.5641   6.7115   5.7484   9.1148   3.1617   9.9191   7.8576   3.0382   7.5410   3.0839 0.3165317 4.329127 
1 1 1   22   14   -6 o   13.730   1.7106   25.946   6.1714   15.728   7.8814   42.142   9.9222   10.499   2.7589   17.451   2.1632 -6.952141 3.505807 
1 1 1   22   14   -5 o   19.220   1.3773   50.172   7.0629   54.173   9.5436   45.327   10.502   19.898   1.8054   18.099   2.2060 1.799217 2.850597 
1 1 1   22   14   -4 o   19.527   1.4417   51.833   7.5080   56.435   10.771   47.484   10.471   20.271   2.0047   18.546   2.1414 1.724236 2.933284 
1 1 1   22   14   -3 o   63.921   1.0388  550.667   17.835  548.945   24.148  552.735   26.454   63.726   1.4108   63.906   1.5412 -0.1795425 2.089439 
1 1 1   22   14   -2 o   23.696   1.3856   76.137   8.7806   76.288   11.158   75.891   14.231   23.649   1.7694   23.467   2.2869 0.1824207 2.891490 
1 1 1   22   14   -1 o   20.408   1.2256   56.408   6.6869   66.827   9.0906   44.124   9.8709   22.170   1.5361   17.882   2.0949 4.288103 2.597711 
1 1 1   22   14    0 o   12.748   1.8270   22.495   6.0768   16.405   8.2131   29.860   9.0331   10.721   2.8159   14.598   2.3864 -3.876720 3.691105 
1 1 1   22   14    1 o   13.709   1.7308   25.877   6.2311   34.198   8.3579   15.464   9.3493   15.728   2.0255   10.477   3.1026 5.250960 3.705250 
1 1 1   22   14    2 o   39.464   0.8979  209.707   9.5177  212.993   12.092  204.355   15.431   39.741   1.1328   38.870   1.4781 0.8712006 1.862232 
1 1 1   22   14    3 o   40.904   0.8666  225.251   9.5211  223.809   12.289  227.417   15.059   40.739   1.1231   41.025   1.3666 -0.2863998 1.768905 
1 1 1   22   14    4 o   32.283   0.9471  140.379   8.2123  137.873   10.509  144.310   13.161   31.962   1.2242   32.660   1.5003 -0.6972866 1.936384 
1 1 1   22   14    5 o   33.741   0.9288  153.326   8.4169  167.971   10.964  132.305   13.135   35.288   1.1567   31.221   1.5714 4.066442 1.951249 
1 1 1   22   14    6 o   18.174   1.4394   44.937   6.9687   52.650   8.3580   27.347   12.622   19.653   1.5972   13.740   3.4307 5.913003 3.784253 
1 1 1   22   14    7 f   38.978   0.8722  204.557   9.1309  206.364   12.219  202.271   13.741   39.111   1.1632   38.695   1.3221 0.4154663 1.760934 
1 1 1   22   14    8 o   6.6751   2.5757   4.0918   6.5404  -1.8059   8.9937   10.712   9.5284   6.3213   2.7702   9.1748   3.1747 -2.853502 4.213401 
1 1 1   22   14    9 f   20.014   1.4697   54.476   7.8450   37.108   9.9376   83.202   12.780   16.315   2.3344   24.657   1.9456 -8.341810 3.038857 
1 1 1   22   14   10 o   17.571   1.7335   42.290   8.0746   35.141   10.633   52.030   12.411   15.799   2.5958   19.339   2.4438 -3.540087 3.565206 
1 1 1   22   14   11 o   18.891   1.7865   48.885   8.9569   36.096   12.722   61.454   12.612   15.877   3.0946   21.087   2.2622 -5.209842 3.833221 
1 1 1   22   14   12 o   46.094   0.8960  286.158   11.093  300.585   15.842  272.276   15.540   47.177   1.2502   44.893   1.2888 2.284363 1.795516 
1 1 1   22   14   13 f   25.935   1.1602   90.775   8.0817   88.314   11.038   93.619   11.865   25.471   1.6219   26.212   1.6943 -0.7411156 2.345520 
1 1 1   22   14   14 o   49.378   0.9312  328.500   12.350  335.445   16.693  320.103   18.355   49.833   1.2472   48.642   1.4049 1.190838 1.878623 
1 1 1   22   14   15 o   4.3574   2.0963 -10.6204   7.2150 -18.2779   11.623  -5.8196   9.2029   5.4038   2.6148   5.7872   2.6459 -0.3833995 3.719953 
1 1 1   22   14   16 o   32.023   1.0496  138.314   9.0277  133.022   14.174  141.927   11.710   31.251   1.6949   32.393   1.3459 -1.142054 2.164346 
1 1 1   22   14   17 o   18.600   1.5316   47.214   7.5834   44.996   11.971   48.700   9.8006   17.900   2.5632   18.797   1.9705 -0.8967743 3.233072 
1 1 1   22   14   18 o   31.565   1.0740  134.455   9.1056  137.969   12.295  130.186   13.551   31.914   1.4343   30.919   1.6376 0.9952450 2.176924 
1 1 1   22   14   19 f   25.403   1.1434   87.158   7.8017   82.592   11.188   91.479   10.885   24.587   1.7048   25.914   1.5713 -1.327076 2.318421 
1 1 1   22   14   20 o   35.250   0.9880  167.609   9.3539  169.825   13.555  165.594   12.925   35.397   1.4257   34.964   1.3763 0.4328537 1.981597 
1 1 1   22   14   21 o   28.650   1.0390  110.803   7.9956  101.922   10.695  122.057   12.039   27.372   1.4599   29.988   1.4947 -2.615797 2.089384 
1 1 1   22   14   22 o   20.581   1.3420   57.632   7.3780   66.015   9.9644   47.458   10.977   21.950   1.7035   18.437   2.2643 3.512634 2.833542 
1 1 1   22   14   23 o   19.982   1.4356   54.467   7.6539   54.200   10.644   54.752   11.014   19.781   2.0322   19.864   2.0961 -0.8242798E-01 2.919495 
1 1 1   22   14   24 o   14.893   1.9109   30.836   7.4674   25.857   10.362   36.217   10.771   13.322   2.9714   15.950   2.6043 -2.627666 3.951107 
1 1 1   22   14   25 o   11.024   2.4701   17.498   7.1328   13.932   10.039   21.133   10.136   9.9954   3.2574   12.004   3.1164 -2.008325 4.508045 
1 1 1   22   14   26 o   11.339   2.3998   18.456   7.0809   32.614   10.128   4.9156   9.9041   15.110   2.5886   7.8050   3.1211 7.304904 4.054899 
1 1 1   22   14   27 o   14.601   1.8319   29.612   7.0261   22.576   9.0518   40.276   11.144   12.465   2.7750   16.839   2.5432 -4.374043 3.764065 
1 1 1   22   14   28 o   7.9715   2.9429   7.3756   8.3242   18.033   11.020  -6.7873   12.704   11.138   3.3845   6.8377   3.1194 4.300308 4.602743 
1 1 1   22   14   29 o   19.126   1.5829   50.173   8.0581   36.624   10.829   66.981   12.062   16.015   2.6073   21.968   2.0686 -5.953026 3.328181 
1 1 1   22   14   30 o   41.257   0.9206  229.744   10.201  241.587   14.264  217.346   14.595   42.216   1.2580   40.011   1.3581 2.204758 1.851162 
1 1 1   22   14   31 o   29.056   1.0914  114.199   8.5175  116.472   11.567  111.506   12.589   29.220   1.4786   28.534   1.6497 0.6855659 2.215352 
1 1 1   22   14   32 o   8.9410   2.6154   11.441   6.6793   15.401   8.5166   5.1145   10.766   10.288   2.9369   8.0459   3.2411 2.242078 4.373816 
1 1 1   22   14   33 o   15.309   1.8356   32.610   7.3975   32.174   9.1925   33.412   12.461   15.042   2.3523   15.024   3.1867 0.1801300E-01 3.960850 
1 1 1   22   14   34 o   23.621   1.2864   76.039   8.1305   81.018   10.202   67.372   13.459   24.299   1.5717   21.867   2.3274 2.431873 2.808382 
1 1 1   22   14   35 o   10.439   2.5391   15.952   7.0508   23.387   8.7500   2.1858   11.907   12.638   2.6618   7.7592   3.2909 4.878767 4.232636 
1 1 1   22   14   36 o   19.832   1.8516   54.832   9.7488   56.300   13.549   53.256   14.038   19.750   2.6187   19.097   2.8217 0.6526623 3.849628 
1 1 1   22   14   37 o   27.957   1.7122  108.350   12.795  118.420   19.359  100.538   17.050   28.712   2.5363   26.519   2.4204 2.193371 3.505855 
1 1 1   22   14   38 o   19.160   2.5344   53.463   12.723   54.928   20.452   52.539   16.249   18.223   4.2557   18.446   3.4052 -0.2230320 5.450332 
1 1 1   22   14   39 o   8.9501   3.5071   9.6092   12.271   36.808   19.178  -9.2430   15.967   14.568   4.4723   7.2441   3.3727 7.324051 5.601497 
1 1 1   22   14   40 o   11.758   3.9163   22.777   14.482 -10.3800   30.227   32.656   16.499   9.6414   4.5375   13.794   4.1301 -4.152241 6.135677 
1 1 1   22   14   41 o   17.084   4.0314   50.079   18.200   0.0000   0.0000   50.079   18.200  ?   ?    17.084   4.0314 0.000000 4.031448 
1 1 1   22   14   42 o   11.842   4.2147   24.921   16.875   0.0000   0.0000   24.921   16.875  ?   ?    11.842   4.2147 0.000000 4.214739 
1 1 1   22   15  -36 o   8.9241   3.8524   3.6417   16.853   0.0000   0.0000   3.6417   16.853  ?   ?    8.9241   3.8524 0.000000 3.852378 
1 1 1   22   15  -35 f   9.1836   3.5219   10.220   12.176   10.676   16.778   9.7120   17.696   9.9897   4.0384   9.9858   4.1055 0.3947258E-02 5.758788 
1 1 1   22   15  -34 o   30.375   1.8280  127.999   14.844  134.939   21.471  121.646   20.544   30.677   2.6314   29.099   2.6579 1.577759 3.740134 
1 1 1   22   15  -33 o   13.192   2.6860   25.494   9.1934   24.056   13.112   26.885   12.893   12.539   3.6635   13.251   3.5508 -0.7123051 5.101875 
1 1 1   22   15  -32 o   30.204   1.3294  124.123   10.785  109.405   15.142  139.279   15.365   28.053   2.0232   31.773   1.8080 -3.720274 2.713332 
1 1 1   22   15  -31 o   44.380   1.1074  266.760   13.200  267.773   18.860  265.787   18.482   44.268   1.5862   44.116   1.5598 0.1519623 2.224629 
1 1 1   22   15  -30 o   14.834   2.4314   31.402   9.3517   30.145   13.426   32.586   13.033   14.146   3.5417   14.776   3.3600 -0.6304045 4.881937 
1 1 1   22   15  -29 o   9.2212   3.3676   10.540   10.856   1.0221   16.261   18.194   14.582   8.7646   3.7839   11.384   3.9280 -2.619841 5.454085 
1 1 1   22   15  -28 o   12.765   2.7732   23.724   9.2361   17.054   13.419   29.730   12.732   11.042   3.7696   14.120   3.3983 -3.077715 5.075278 
1 1 1   22   15  -27 o   19.427   2.0112   52.455   10.342   45.276   13.396   63.047   16.272   17.706   2.9186   20.930   2.9786 -3.223408 4.170149 
1 1 1   22   15  -26 o   15.586   2.6681   34.870   10.768   43.062   13.073   17.589   18.987   17.258   2.9248   11.764   4.4244 5.494055 5.303701 
1 1 1   22   15  -25 o   9.1769   3.3593   10.317   10.812   8.4814   12.125   17.440   23.888   9.0369   3.5014   12.344   4.8756 -3.307245 6.002634 
1 1 1   22   15  -24 o   41.940   1.0921  237.901   12.302  230.161   17.120  246.164   17.689   41.105   1.5507   42.510   1.5492 -1.405552 2.191975 
1 1 1   22   15  -23 o   28.617   1.1066  110.769   8.5055  102.488   10.755  124.595   13.897   27.415   1.4659   30.151   1.7232 -2.735945 2.262359 
1 1 1   22   15  -22 o   6.5235   2.5735   3.5766   6.6477   6.0015   8.3672  -0.5741   10.947   7.6397   2.9220   7.1230   3.0898 0.5166316 4.252655 
1 1 1   22   15  -21 o   15.294   1.8999   32.502   7.6364   22.242   10.291   45.072   11.391   12.310   3.1111   17.880   2.4354 -5.569223 3.950996 
1 1 1   22   15  -20 o   36.135   0.9084  176.132   8.8167  195.330   15.710  167.305   10.652   37.895   1.5435   35.175   1.1275 2.719471 1.911446 
1 1 1   22   15  -19 o   5.4351   2.3812  -1.2701   6.6416 -14.3874   11.743   4.8989   8.0533   5.7495   2.7413   7.3017   2.8467 -1.552153 3.952044 
1 1 1   22   15  -18 o   14.228   1.7889   28.030   6.6849   18.326   10.574   34.491   8.6277   11.251   3.2907   15.725   2.0948 -4.474308 3.900887 
1 1 1   22   15  -17 o   39.876   0.8840  214.342   9.4674  203.860   15.140  221.073   12.132   38.765   1.4541   40.452   1.1166 -1.687080 1.833371 
1 1 1   22   15  -16 o   26.918   1.0155   97.776   7.3419  105.955   10.620   90.288   10.161   27.923   1.4207   25.758   1.4748 2.164618 2.047831 
1 1 1   22   15  -15 o   34.990   0.9167  165.043   8.6153  170.178   12.450  160.324   11.934   35.461   1.3071   34.423   1.2908 1.038788 1.837043 
1 1 1   22   15  -14 o   29.910   0.9517  120.617   7.6454  129.714   11.261  112.837   10.413   30.955   1.3544   28.873   1.3428 2.081978 1.907213 
1 1 1   22   15  -13 o   16.149   1.6333   35.767   6.9867   26.714   8.9404   49.969   11.198   13.719   2.5190   18.964   2.2418 -5.244710 3.372098 
1 1 1   22   15  -12 o   34.440   0.9093  159.843   8.4116  147.354   12.224  171.076   11.593   32.994   1.3794   35.582   1.2130 -2.588425 1.836868 
1 1 1   22   15  -11 o   47.415   0.8274  302.761   10.537  302.103   15.445  303.334   14.412   47.287   1.2161   47.402   1.1320 -0.1152382 1.661372 
1 1 1   22   15  -10 o   9.3012   2.4689   12.322   6.2706   10.426   8.8867   14.202   8.8494   8.9644   3.0677   10.040   3.0289 -1.075821 4.311041 
1 1 1   22   15   -9 o   25.240   1.0321   85.913   6.9968   80.052   8.9551   95.099   11.210   24.286   1.3785   26.434   1.5863 -2.147970 2.101595 
1 1 1   22   15   -8 o   19.801   1.1643   53.111   6.1651   50.538   8.5687   55.873   8.8770   19.224   1.6763   20.225   1.6484 -1.001873 2.351038 
1 1 1   22   15   -7 o   21.270   1.1074   61.205   6.3044   47.817   8.8906   74.744   8.9411   18.672   1.7949   23.458   1.4259 -4.786358 2.292337 
1 1 1   22   15   -6 o   35.727   0.8815  171.925   8.4589  172.872   12.586  171.146   11.423   35.762   1.3103   35.602   1.1946 0.1594391 1.773168 
1 1 1   22   15   -5 o   17.789   1.3013   42.995   6.1746   39.830   8.6996   46.209   8.7653   16.996   1.9405   18.353   1.8014 -1.356846 2.647775 
1 1 1   22   15   -4 o   29.876   1.0315  120.349   8.2775  127.005   14.007  116.776   10.261   30.538   1.7146   29.395   1.2996 1.142923 2.151500 
1 1 1   22   15   -3 o   33.515   0.9154  151.322   8.2401  141.458   12.407  159.105   11.022   32.332   1.4287   34.329   1.1954 -1.996422 1.862841 
1 1 1   22   15   -2 o   9.1792   2.3872   11.980   5.9408   9.3082   9.1114   13.955   7.8353   8.7191   3.0977   9.9155   2.8123 -1.196446 4.183884 
1 1 1   22   15   -1 f   15.235   1.4952   31.722   6.0396   27.757   8.5534   35.664   8.5291   14.056   2.3485   16.054   2.0229 -1.998406 3.099641 
1 1 1   22   15    0 o   32.609   0.9119  143.240   7.9866  147.495   11.913  139.767   10.764   33.030   1.3428   32.168   1.2458 0.8621178 1.831706 
1 1 1   22   15    1 f   41.230   0.8600  228.918   9.5232  224.399   12.693  234.738   14.405   40.776   1.1589   41.680   1.2868 -0.9047623 1.731717 
1 1 1   22   15    2 o   24.302   1.0493   79.639   6.8494   79.326   9.5247   79.975   9.8567   24.163   1.4747   24.253   1.5208 -0.9025574E-01 2.118407 
1 1 1   22   15    3 o   27.004   1.0385   98.324   7.5323  100.192   9.9788   95.850   11.483   27.185   1.3711   26.538   1.6188 0.6466579 2.121382 
1 1 1   22   15    4 o   25.498   1.1504   87.745   7.8783   89.171   9.6890   84.963   13.534   25.634   1.4127   24.879   2.0434 0.7553082 2.484217 
1 1 1   22   15    5 o   34.829   0.9024  163.409   8.4420  159.913   11.407  167.642   12.553   34.409   1.2342   35.215   1.3272 -0.8059006 1.812405 
1 1 1   22   15    6 o   78.337   0.8488  826.380   17.859  821.809   25.006  831.138   25.515   78.015   1.1934   78.451   1.2109 -0.4353104 1.700123 
1 1 1   22   15    7 o   8.7142   2.5654   10.643   6.4080   16.163   9.2820   5.6152   8.8574   10.651   3.0739   7.7403   2.9944 2.910495 4.291315 
1 1 1   22   15    8 o   18.674   1.4508   47.492   7.2198   54.381   11.351   42.812   9.3563   19.832   2.1663   17.607   2.0147 2.224356 2.958346 
1 1 1   22   15    9 o   5.0715   2.2590  -2.2708   6.2180  -3.4465   8.9836  -1.1897   8.6152   6.0426   2.7017   6.2698   2.7304 -0.2271681 3.841109 
1 1 1   22   15   10 o   15.984   1.4824   34.902   6.2917   41.258   8.5609   27.437   9.2779   17.310   1.8711   13.903   2.5796 3.407248 3.186734 
1 1 1   22   15   11 o   10.314   2.3589   15.170   6.3926   6.5342   9.1121   23.540   8.9705   8.0152   3.0532   12.826   2.6898 -4.810948 4.069035 
1 1 1   22   15   12 o   11.879   2.2309   19.939   6.8567   31.989   9.8713   8.7046   9.5312   15.045   2.5329   8.6332   3.1550 6.411325 4.045897 
1 1 1   22   15   13 o   23.791   1.2081   76.678   7.6946   82.991   10.961   70.545   10.804   24.660   1.6647   22.698   1.7866 1.961500 2.441957 
1 1 1   22   15   14 o   43.040   0.8564  249.569   9.8998  253.186   14.713  246.577   13.382   43.268   1.2660   42.723   1.1662 0.5459175 1.721296 
1 1 1   22   15   15 o   5.9226   2.5576  -0.5175   7.4331  -2.6015   10.795   1.3612   10.250   6.8066   3.0070   7.2681   3.0663 -0.4614601 4.294680 
1 1 1   22   15   16 o   7.1604   2.7326   5.1304   7.3075   11.332   11.424   0.8355   9.5069   9.5901   3.4617   6.9274   2.9395 2.662644 4.541405 
1 1 1   22   15   17 o   19.724   1.5030   53.109   7.9024   54.852   10.410   50.737   12.140   19.933   1.9702   19.028   2.4310 0.9051914 3.129073 
1 1 1   22   15   18 o   29.626   1.0546  118.528   8.3917  120.612   12.340  116.735   11.446   29.751   1.5496   29.329   1.4530 0.4229412 2.124258 
1 1 1   22   15   19 o   15.066   1.8092   31.422   7.1748   38.660   10.464   25.000   9.8569   16.557   2.4248   13.129   2.8748 3.428181 3.760884 
1 1 1   22   15   20 o   36.593   0.9797  180.755   9.6289  176.864   14.540  183.796   12.851   36.072   1.5007   36.827   1.2992 -0.7554855 1.984943 
1 1 1   22   15   21 o   24.600   1.2747   82.221   8.3935   77.281   11.555   87.740   12.213   23.702   1.8291   25.269   1.8115 -1.566942 2.574343 
1 1 1   22   15   22 o   63.680   0.8934  547.070   15.281  565.487   22.572  531.487   20.763   64.578   1.3013   62.637   1.2341 1.941204 1.793489 
1 1 1   22   15   23 o   14.870   1.8966   30.774   7.4021   26.154   10.425   35.471   10.511   13.372   2.9790   15.769   2.5702 -2.397323 3.934528 
1 1 1   22   15   24 o   7.1029   2.7435   4.9119   7.4260  -6.6383   10.962   14.710   10.096   6.2772   2.8765   10.188   3.2617 -3.910965 4.348930 
1 1 1   22   15   25 o   29.516   1.1325  117.905   8.9780  116.963   12.318  118.973   13.113   29.252   1.5736   29.473   1.6632 -0.2209435 2.289656 
1 1 1   22   15   26 o   19.660   1.4485   52.845   7.5947   37.853   9.7006   76.587   12.207   16.394   2.2634   23.533   1.9488 -7.139332 2.986784 
1 1 1   22   15   27 o   10.019   2.7714   14.563   7.7093   8.8669   9.9791   22.995   12.142   8.6788   3.2186   12.430   3.4922 -3.751276 4.749192 
1 1 1   22   15   28 o   8.9591   2.6971   11.422   7.0223   11.478   9.1286   11.342   10.991   9.1973   3.1093   9.4363   3.3969 -0.2389641 4.605106 
1 1 1   22   15   29 o   24.782   1.1915   83.225   7.9310   84.650   10.628   81.434   11.914   24.855   1.6005   24.300   1.8390 0.5557766 2.437960 
1 1 1   22   15   30 o   35.826   1.0431  173.608   10.037  167.868   12.900  182.411   15.977   35.139   1.3668   36.537   1.6281 -1.397373 2.125779 
1 1 1   22   15   31 o   24.389   1.2515   80.956   8.1708   87.849   10.356   69.589   13.299   25.327   1.5295   22.272   2.2542 3.055334 2.724128 
1 1 1   22   15   32 o   9.2972   2.7672   12.499   7.4229   5.6368   8.8370   28.943   13.680   7.6185   2.9787   13.766   3.6431 -6.147390 4.705888 
1 1 1   22   15   33 o   8.7571   2.7111   10.979   7.0306   11.035   8.7037   10.875   11.926   8.9453   3.0361   9.3825   3.5109 -0.4371834 4.641537 
1 1 1   22   15   34 o   20.710   1.5875   59.212   8.7636   61.584   11.512   55.942   13.515   20.927   2.0755   19.677   2.6225 1.249535 3.344423 
1 1 1   22   15   35 f   16.121   2.7422   38.291   11.448   48.611   17.411   30.431   15.195   17.561   3.8015   13.794   3.9178 3.767024 5.458970 
1 1 1   22   15   36 o   28.370   1.7619  112.158   13.359  116.700   19.900  108.433   18.023   28.312   2.6477   27.418   2.4740 0.8938828 3.623676 
1 1 1   22   15   37 f   12.984   3.4594   26.860   12.282   36.095   19.769   21.055   15.674   14.377   4.5602   11.524   4.0662 2.853313 6.109779 
1 1 1   22   15   38 o   15.091   3.8558   37.957   15.687 -24.1500   33.007   56.078   17.829   9.2553   4.4606   18.592   3.7004 -9.336719 5.795661 
1 1 1   22   15   39 o   29.247   2.5416  126.636   19.767   0.0000   0.0000  126.636   19.767  ?   ?    29.247   2.5416 0.000000 2.541609 
1 1 1   22   15   40 o   13.955   4.3537   35.990   18.092   0.0000   0.0000   35.990   18.092  ?   ?    13.955   4.3537 0.000000 4.353711 
1 1 1   22   15   41 o   11.679   4.8255   25.350   24.605   0.0000   0.0000   25.350   24.605  ?   ?    11.679   4.8255 0.000000 4.825511 
1 1 1   22   16  -35 o   8.1768   3.8730 -15.6700   22.682   0.0000   0.0000 -15.6700   22.682  ?   ?    8.1768   3.8730 0.000000 3.873010 
1 1 1   22   16  -34 o   21.403   2.2828   65.721   12.920   54.811   18.654   75.781   17.913   18.461   3.8850   22.469   3.0467 -4.008041 4.937155 
1 1 1   22   16  -33 o   29.036   1.8268  117.488   14.174   86.936   20.688  144.516   19.459   24.001   3.2963   31.896   2.2865 -7.895273 4.011696 
1 1 1   22   16  -32 o   18.247   2.1756   47.222   10.452   71.062   18.850   36.637   12.560   21.744   3.3339   15.621   3.1029 6.122886 4.554422 
1 1 1   22   16  -31 o   17.617   2.0190   43.604   9.3811   28.992   13.516   57.187   13.031   13.706   3.6183   19.997   2.4794 -6.290987 4.386238 
1 1 1   22   16  -30 o   31.563   1.2846  135.506   10.890  134.187   15.470  136.803   15.333   31.143   1.8579   31.464   1.8222 -0.3206539 2.602362 
1 1 1   22   16  -29 o   26.764   1.4592   97.972   10.450  100.061   14.793   95.892   14.763   26.806   2.0707   26.219   2.1144 0.5870419 2.959471 
1 1 1   22   16  -28 o   17.180   2.3632   41.843   10.616   24.126   16.619   54.055   13.797   12.697   4.1936   19.410   2.7213 -6.713539 4.999177 
1 1 1   22   16  -27 o   45.070   1.2940  275.860   15.664  246.383   27.211  290.470   19.157   41.950   2.4254   46.138   1.5459 -4.188297 2.876111 
1 1 1   22   16  -26 o   15.537   2.3056   34.186   9.3294   33.643   13.488   34.685   12.918   14.998   3.4236   15.303   3.2436 -0.3042812 4.716153 
1 1 1   22   16  -25 o   21.332   1.8765   62.947   10.642   65.135   14.291   60.222   15.945   21.455   2.5284   20.414   2.9973 1.040897 3.921301 
1 1 1   22   16  -24 o   10.658   2.7372   16.577   7.8765   20.875   8.3704 -16.6500   23.274   11.979   2.6698   8.6527   4.0430 3.326051 4.845001 
1 1 1   22   16  -23 o   26.713   1.3648   97.214   9.7592   91.065   11.002  119.908   21.137   25.784   1.5965   29.082   2.7382 -3.298019 3.169625 
1 1 1   22   16  -22 o   6.2420   2.5800   1.9109   7.0377  -1.4624   8.7416   8.1250   11.865   6.2137   2.7269   8.8977   3.4591 -2.683966 4.404670 
1 1 1   22   16  -21 o   25.968   1.0183   91.143   7.1020   88.854   11.198   92.684   9.1856   25.457   1.6466   26.098   1.3146 -0.6410599 2.106999 
1 1 1   22   16  -20 o   12.304   2.2479   21.554   7.1548   10.571   11.793   27.953   9.0007   9.4030   3.4965   13.977   2.4888 -4.573930 4.291815 
1 1 1   22   16  -19 o   36.570   0.8917  180.460   8.7589  185.254   13.173  176.660   11.727   36.946   1.3274   36.111   1.2091 0.8349800 1.795542 
1 1 1   22   16  -18 o   28.585   1.0406  110.434   7.9898  118.508   12.254  104.464   10.538   29.459   1.5543   27.691   1.4216 1.767221 2.106315 
1 1 1   22   16  -17 o   15.888   1.7934   34.936   7.5192   47.958   12.846   28.148   9.2740   18.354   2.6852   14.022   2.5567 4.332609 3.707678 
1 1 1   22   16  -16 o   10.583   2.5459   16.178   7.1489   17.560   11.228   15.236   9.2708   11.043   3.4274   10.300   3.0986 0.7425041 4.620398 
1 1 1   22   16  -15 o   62.918   0.8538  533.722   14.429  522.376   21.040  543.797   19.826   62.102   1.2614   63.403   1.1642 -1.300426 1.716538 
1 1 1   22   16  -14 o   21.128   1.2455   60.638   7.0368   66.029   9.9197   55.177   9.9838   21.947   1.6960   20.003   1.8804 1.944263 2.532201 
1 1 1   22   16  -13 o   26.725   1.0610   96.465   7.6157  101.708   10.793   91.267   10.747   27.331   1.4758   25.866   1.5541 1.464527 2.143195 
1 1 1   22   16  -12 o   46.808   0.8871  295.386   11.153  307.269   13.693  271.961   19.226   47.699   1.0688   44.719   1.6007 2.979607 1.924690 
1 1 1   22   16  -11 o   21.415   1.1780   62.186   6.7500   67.365   8.8117   54.831   10.501   22.231   1.4842   19.924   1.9889 2.307430 2.481658 
1 1 1   22   16  -10 o   24.114   1.1078   78.545   7.1750   90.942   9.3567   60.850   11.179   25.877   1.3509   20.998   2.0065 4.879549 2.418901 
1 1 1   22   16   -9 o   18.722   1.2670   47.634   6.3338   54.027   8.6048   40.074   9.3571   19.872   1.6264   16.982   2.0959 2.890034 2.652897 
1 1 1   22   16   -8 f   12.393   1.9700   21.480   6.3382   30.485   9.5123   14.289   8.4999   14.671   2.5039   10.021   2.9559 4.649764 3.873837 
1 1 1   22   16   -7 o   24.332   1.1139   79.953   7.2797   86.296   10.914   74.868   9.7708   25.150   1.6243   23.433   1.5613 1.717188 2.253045 
1 1 1   22   16   -6 o   33.598   0.8812  152.119   7.9519  154.561   11.402  149.807   11.095   33.807   1.2557   33.286   1.2410 0.5213547 1.765528 
1 1 1   22   16   -5 o   34.678   0.9230  162.100   8.5972  155.682   13.220  166.804   11.317   33.891   1.4523   35.132   1.1993 -1.240929 1.883488 
1 1 1   22   16   -4 o   12.300   1.8556   21.062   5.9398   23.707   8.4218   18.444   8.3787   12.902   2.5207   11.313   2.7778 1.589140 3.751008 
1 1 1   22   16   -3 o   12.413   1.9577   21.519   6.3107   21.666   9.8947   21.419   8.1935   12.228   3.0285   12.239   2.5742 -0.1076889E-01 3.974709 
1 1 1   22   16   -2 f   10.562   2.2732   15.875   6.2575   12.654   9.4932   18.349   8.3210   9.6493   3.1687   11.287   2.7663 -1.637673 4.206299 
1 1 1   22   16   -1 o   31.861   0.9354  136.840   8.0049  132.610   12.105  140.127   10.671   31.285   1.4406   32.197   1.2340 -0.9123116 1.896835 
1 1 1   22   16    0 o   39.734   0.8680  212.706   9.2637  226.937   14.112  201.930   12.280   40.963   1.2827   38.661   1.1826 2.302464 1.744612 
1 1 1   22   16    1 o   12.204   1.9561   20.811   6.1949   26.570   8.6331   14.698   8.8946   13.702   2.4350   10.178   3.0291 3.524575 3.886423 
1 1 1   22   16    2 f   9.1501   2.6150   11.868   6.7481   9.3050   8.9841   15.187   10.222   8.6699   3.0764   10.413   3.2764 -1.743499 4.494370 
1 1 1   22   16    3 o   13.608   2.1018   25.899   7.4345   14.921   10.473   37.050   10.555   10.364   3.3226   16.218   2.5038 -5.853287 4.160349 
1 1 1   22   16    4 o   16.404   1.5794   36.856   6.8728   34.554   9.3010   39.626   10.200   15.715   2.2693   16.836   2.3172 -1.120908 3.243345 
1 1 1   22   16    5 o   29.196   1.0455  115.020   8.1985  110.203   11.821  119.484   11.380   28.455   1.5526   29.696   1.4268 -1.240593 2.108622 
1 1 1   22   16    6 o   30.625   1.0024  126.513   8.2450  126.371   11.651  126.656   11.669   30.539   1.4205   30.574   1.4210 -0.3430748E-01 2.009205 
1 1 1   22   16    7 o   8.5206   2.6691   10.016   6.7919   8.4216   10.570   11.138   8.8638   8.7743   3.3009   9.1384   3.0640 -0.3641129 4.503831 
1 1 1   22   16    8 f   18.539   1.4238   46.847   7.0355   55.640   10.399   39.426   9.5538   20.091   1.9517   16.827   2.1641 3.264956 2.914179 
1 1 1   22   16    9 o   28.992   0.9755  113.375   7.5964  119.795   10.503  106.332   11.000   29.748   1.3145   27.962   1.4698 1.786512 1.971895 
1 1 1   22   16   10 o   35.724   0.8871  172.025   8.5119  174.759   11.730  168.984   12.371   35.949   1.2148   35.331   1.3036 0.6174355 1.781934 
1 1 1   22   16   11 o   14.321   1.7195   28.317   6.4817   26.150   8.6166   31.141   9.8370   13.566   2.4551   14.801   2.5675 -1.234768 3.552426 
1 1 1   22   16   12 o   13.941   1.7773   26.912   6.5033   28.553   8.6260   24.750   9.8987   14.219   2.3401   13.070   2.8959 1.148798 3.723226 
1 1 1   22   16   13 o   11.130   2.2928   17.666   6.6259   25.311   8.3050   4.2776   10.990   13.347   2.4052   7.9974   3.2555 5.349317 4.047645 
1 1 1   22   16   14 o   50.414   0.8662  342.657   11.729  349.429   17.287  336.880   15.967   50.797   1.2670   49.900   1.1913 0.8964119 1.739150 
1 1 1   22   16   15 o   40.722   1.0920  224.125   11.944  233.050   17.092  215.609   16.697   41.395   1.5373   39.808   1.5616 1.587078 2.191338 
1 1 1   22   16   16 o   10.520   2.7917   16.051   8.0188   11.759   13.688   18.294   9.8946   10.010   3.7581   11.198   3.1548 -1.188333 4.906785 
1 1 1   22   16   17 o   28.744   1.0992  111.722   8.4865  100.241   12.379  121.904   11.657   27.043   1.7130   29.949   1.4492 -2.905890 2.243790 
1 1 1   22   16   18 o   11.866   2.2752   20.081   6.9875   28.562   9.8584   11.520   9.9054   14.073   2.7064   9.3321   3.2365 4.740849 4.218934 
1 1 1   22   16   19 o   14.886   2.0591   31.046   8.0126   23.158   11.974   37.443   10.783   12.485   3.4540   16.207   2.5622 -3.722118 4.300635 
1 1 1   22   16   20 o   35.182   1.0467  167.345   9.8914  153.597   15.257  177.314   12.992   33.482   1.7021   36.138   1.3385 -2.656479 2.165350 
1 1 1   22   16   21 o   13.755   2.3822   26.980   8.4826   29.278   15.407   25.980   10.161   13.885   3.9456   13.325   2.9199 0.5603037 4.908515 
1 1 1   22   16   22 o   40.328   1.0411  219.912   11.277  220.842   19.079  219.413   13.980   40.156   1.7689   40.208   1.2945 -0.5144501E-01 2.191993 
1 1 1   22   16   23 o   6.0957   2.6482  -0.6909   8.0656   2.2500   11.787  -3.2800   11.060   7.8015   3.2897   6.7375   3.0061 1.064048 4.456307 
1 1 1   22   16   24 o   16.405   1.6852   37.166   7.3199   44.859   9.3823   25.200   11.701   17.952   1.9787   13.000   3.3349 4.951695 3.877790 
1 1 1   22   16   25 o   20.268   1.4653   56.209   7.9231   64.311   10.878   47.055   11.563   21.556   1.8982   18.236   2.4205 3.320190 3.076059 
1 1 1   22   16   26 o   19.127   1.6168   50.306   8.2280   54.408   9.8274   40.691   15.047   19.821   1.8680   16.493   3.5048 3.327900 3.971475 
1 1 1   22   16   27 o   8.2324   2.7103   9.2676   6.9435   10.322   8.4906   7.1385   12.065   8.7688   2.9986   8.7274   3.4593 0.4132271E-01 4.577980 
1 1 1   22   16   28 o   20.961   1.4126   60.083   7.9064   59.083   9.9700   61.776   12.979   20.666   1.8146   20.934   2.3488 -0.2682610 2.968065 
1 1 1   22   16   29 o   18.204   1.5966   45.661   7.7278   49.835   9.5495   37.742   13.154   18.926   1.9044   15.950   3.1821 2.976376 3.708424 
1 1 1   22   16   30 o   12.567   2.1933   22.567   7.1339   22.547   9.0573   22.601   11.578   12.366   2.7930   12.228   3.4015 0.1378222 4.401230 
1 1 1   22   16   31 o   9.6283   2.5849   13.603   6.8254   11.783   8.8292   16.305   10.760   9.1544   3.0581   10.524   3.3671 -1.369348 4.548555 
1 1 1   22   16   32 o   8.7456   2.8446   10.890   7.6572   14.839   10.705   6.7533   10.957   10.097   3.3672   8.2901   3.2933 1.807370 4.709970 
1 1 1   22   16   33 o   18.434   2.2815   48.654   11.055   39.226   18.291   54.079   13.876   15.420   4.2701   19.179   2.7743 -3.758368 5.092264 
1 1 1   22   16   34 o   27.286   1.7906  103.991   13.050  105.194   19.217  102.962   17.777   26.800   2.7067   26.664   2.5119 0.1360760 3.692673 
1 1 1   22   16   35 o   10.983   3.7018   18.926   12.938   40.179   26.558   12.312   14.815   14.639   5.2791   9.7913   3.8484 4.847507 6.532921 
1 1 1   22   16   36 o   26.144   2.7624  102.157   19.104   0.0000   0.0000  102.157   19.104  ?   ?    26.144   2.7624 0.000000 2.762364 
1 1 1   22   16   37 f   19.303   3.5281   60.369   17.618   0.0000   0.0000   60.369   17.618  ?   ?    19.303   3.5281 0.000000 3.528085 
1 1 1   22   16   38 f   11.423   4.7520   21.530   24.096   0.0000   0.0000   21.530   24.096  ?   ?    11.423   4.7520 0.000000 4.751984 
1 1 1   22   17  -33 o   9.9851   3.9002   13.408   15.138   26.790   21.429   0.0755   21.389   12.579   4.7063   9.1923   4.1348 3.386808 6.264641 
1 1 1   22   17  -32 o   29.393   1.8174  120.942   14.277  150.860   21.085   95.607   19.402   32.322   2.4468   25.337   2.9035 6.984766 3.796975 
1 1 1   22   17  -31 o   30.688   1.7847  131.184   14.647  134.438   21.519  128.376   19.992   30.416   2.6609   29.835   2.5183 0.5805264 3.663656 
1 1 1   22   17  -30 o   33.833   1.3967  156.652   12.692  138.282   21.025  167.185   15.920   31.040   2.5443   34.794   1.7035 -3.754744 3.061921 
1 1 1   22   17  -29 o   26.733   1.5997   98.493   11.433   81.242   18.097  109.952   14.750   23.576   2.9204   28.069   1.9689 -4.493305 3.522095 
1 1 1   22   17  -28 o   10.159   3.0875   15.200   9.1703   12.905   13.596   17.116   12.421   10.034   3.7498   10.828   3.6272 -0.7934675 5.216984 
1 1 1   22   17  -27 o   10.744   2.9743   17.107   8.8753   9.3274   13.074   23.757   12.087   9.2855   3.6252   12.511   3.4737 -3.225548 5.020791 
1 1 1   22   17  -26 o   31.968   1.4223  139.312   12.212  142.388   19.794  137.421   15.518   31.850   2.3299   31.545   1.8395 0.3056087 2.968572 
1 1 1   22   17  -25 o   20.847   1.4026   59.441   7.8082   51.410   9.7130   74.113   13.128   19.231   1.9055   23.025   2.1475 -3.794422 2.871065 
1 1 1   22   17  -24 o   21.218   1.5252   61.736   8.6339   57.484   10.278   71.929   15.914   20.353   1.9022   22.449   2.6930 -2.095961 3.297084 
1 1 1   22   17  -23 o   18.868   1.6320   49.020   8.1890   49.022   10.238   49.017   13.645   18.730   2.0696   18.422   2.8497 0.3082466 3.521916 
1 1 1   22   17  -22 o   34.656   1.1288  162.681   10.507  174.706   13.376  143.303   16.980   35.835   1.3897   32.189   1.9735 3.645672 2.413703 
1 1 1   22   17  -21 o   17.684   1.7490   43.257   8.1987   66.471   13.761   30.482   10.208   21.713   2.3998   14.502   2.7207 7.210736 3.627826 
1 1 1   22   17  -20 o   16.586   1.8639   38.242   8.1596   35.616   10.115   43.136   13.807   15.803   2.4634   17.155   3.1111 -1.352714 3.968261 
1 1 1   22   17  -19 o   14.861   1.8517   30.768   7.2310   39.905   9.8935   20.289   10.595   16.826   2.2452   11.697   3.2538 5.128829 3.953265 
1 1 1   22   17  -18 o   25.869   1.1190   90.613   7.7754   93.084   11.185   88.302   10.817   26.061   1.6057   25.384   1.5947 0.6772842 2.262986 
1 1 1   22   17  -17 o   32.545   0.9981  143.164   8.7249  141.860   12.352  144.463   12.326   32.289   1.4242   32.589   1.4081 -0.2997093 2.002836 
1 1 1   22   17  -16 o   54.284   0.8659  397.637   12.624  399.484   18.381  395.987   17.369   54.266   1.2611   54.055   1.1963 0.2108650 1.738290 
1 1 1   22   17  -15 o   49.760   0.9607  334.447   12.840  341.379   21.448  330.574   16.030   50.020   1.5964   49.388   1.2084 0.6315804 2.002200 
1 1 1   22   17  -14 o   19.320   1.3405   50.917   6.9130   43.106   8.8740   62.976   11.026   17.624   1.9049   21.325   1.9464 -3.700851 2.723443 
1 1 1   22   17  -13 f   18.506   1.3727   46.761   6.7741   42.265   8.7067   53.656   10.783   17.459   1.8867   19.634   2.0763 -2.175051 2.805482 
1 1 1   22   17  -12 o   40.096   0.9525  217.061   10.258  207.246   13.950  228.615   15.136   39.080   1.3290   41.031   1.3734 -1.950867 1.911161 
1 1 1   22   17  -11 o   45.893   0.9366  284.284   11.545  299.140   15.975  268.042   16.703   46.978   1.2660   44.424   1.3999 2.554405 1.887458 
1 1 1   22   17  -10 o   25.703   1.3694   89.909   9.4198  110.189   13.267   69.291   13.377   28.347   1.7510   22.287   2.2662 6.060038 2.863867 
1 1 1   22   17   -9 o   33.852   0.9511  154.675   8.6475  146.623   12.581  161.886   11.906   32.857   1.4256   34.562   1.2826 -1.704697 1.917608 
1 1 1   22   17   -8 o   9.8896   2.3011   14.031   5.9974   8.8030   7.9959   20.756   9.0681   8.3043   2.9063   11.940   2.8643 -3.635931 4.080513 
1 1 1   22   17   -7 o   18.651   1.4259   47.490   7.0888   47.732   10.589   47.293   9.5424   18.503   2.1721   18.481   1.9519 0.2175713E-01 2.920227 
1 1 1   22   17   -6 o   25.820   1.0301   90.037   7.1438   85.657   10.054   94.504   10.153   25.063   1.5004   26.345   1.4402 -1.282225 2.079790 
1 1 1   22   17   -5 o   6.2839   2.4402   3.5892   5.8994  -9.3465   8.1668   17.705   8.5313   4.8996   2.3217   11.044   2.8551 -6.144504 3.679911 
1 1 1   22   17   -4 o   18.665   1.2929   47.409   6.4416   48.246   9.0807   46.561   9.1391   18.707   1.8307   18.362   1.8796 0.3453369 2.623774 
1 1 1   22   17   -3 o   15.209   1.5895   31.795   6.3971   45.675   9.0382   17.860   9.0556   18.186   1.8773   11.089   2.9776 7.097752 3.520014 
1 1 1   22   17   -2 o   25.838   1.0845   90.197   7.5262   95.929   11.505   85.909   9.9507   26.500   1.6242   25.109   1.4820 1.391243 2.198763 
1 1 1   22   17   -1 o   35.576   0.9179  170.707   8.7708  167.337   13.149  173.409   11.772   35.125   1.3937   35.797   1.2244 -0.6717606 1.855176 
1 1 1   22   17    0 o   44.557   0.9976  267.974   11.939  265.552   17.278  270.186   16.516   44.230   1.4544   44.638   1.3775 -0.4087639 2.003215 
1 1 1   22   17    1 o   22.010   1.3265   65.874   7.8050   71.554   10.912   59.924   11.169   22.829   1.7940   20.815   2.0232 2.013670 2.704073 
1 1 1   22   17    2 o   23.001   1.2192   71.784   7.5053   75.498   11.100   68.655   10.187   23.458   1.7748   22.381   1.7075 1.076679 2.462836 
1 1 1   22   17    3 o   29.245   0.9717  115.414   7.6323  113.948   10.880  116.835   10.710   28.983   1.3976   29.356   1.3583 -0.3729229 1.948869 
1 1 1   22   17    4 o   31.945   0.9920  137.742   8.5116  133.495   12.188  141.786   11.892   31.359   1.4470   32.336   1.3693 -0.9773140 1.992168 
1 1 1   22   17    5 o   11.766   2.2867   19.706   6.9662   19.421   9.5288   20.033   10.210   11.541   3.0339   11.708   3.1692 -0.1671209 4.387292 
1 1 1   22   17    6 o   18.448   1.6070   46.666   7.8831   55.915   10.420   34.290   12.054   20.114   1.9535   15.374   3.0268 4.739402 3.602477 
1 1 1   22   17    7 o   30.569   0.9810  126.139   8.0542  114.565   10.817  140.543   12.066   29.058   1.3859   32.182   1.3960 -3.123890 1.967093 
1 1 1   22   17    8 o   55.179   0.8093  410.361   11.994  420.190   16.806  400.158   17.122   55.745   1.1224   54.383   1.1722 1.361828 1.622953 
1 1 1   22   17    9 o   35.405   0.8995  169.096   8.5541  173.680   11.745  163.917   12.484   35.814   1.2210   34.764   1.3369 1.049576 1.810591 
1 1 1   22   17   10 o   27.189   1.0346   99.880   7.5553  107.368   10.301   91.161   11.115   28.127   1.3635   25.816   1.6110 2.310669 2.110585 
1 1 1   22   17   11 o   6.1960   2.4682   2.9610   6.1707  -0.7380   8.1214   8.0129   9.4911   6.1214   2.6583   8.3903   3.1335 -2.268892 4.109176 
1 1 1   22   17   12 o   22.171   1.2208   66.792   7.2418   75.427   9.7838   56.329   10.770   23.481   1.5602   20.146   2.0175 3.335325 2.550412 
1 1 1   22   17   13 f   5.7152   2.4604  -0.1996   6.8363  -8.8297   8.9940   11.608   10.520   5.2847   2.4833   9.4364   3.3312 -4.151685 4.154927 
1 1 1   22   17   14 o   59.334   0.9625  475.487   15.339  487.521   21.586  463.213   21.800   59.920   1.3412   58.383   1.3902 1.536697 1.931731 
1 1 1   22   17   15 o   21.779   1.4409   64.798   8.3811   62.888   12.628   66.301   11.205   21.197   2.2525   21.887   1.9256 -0.6901989 2.963348 
1 1 1   22   17   16 o   19.248   1.7123   51.060   8.7599   62.841   14.201   43.823   11.130   21.059   2.5635   17.593   2.4193 3.466007 3.524848 
1 1 1   22   17   17 o   8.9688   2.8494   11.297   7.7158   25.058   11.937   1.4205   10.112   12.948   3.3918   7.1676   3.0360 5.780330 4.552124 
1 1 1   22   17   18 o   7.1376   2.7125   5.3650   7.1814   2.5742   10.095   8.2243   10.218   7.3686   3.0715   8.5614   3.2399 -1.192787 4.464386 
1 1 1   22   17   19 o   16.857   1.6901   39.248   7.5491   34.283   10.953   43.741   10.419   15.396   2.7496   17.625   2.2524 -2.228720 3.554383 
1 1 1   22   17   20 o   18.089   1.5891   45.013   7.6424   42.823   10.947   47.096   10.674   17.376   2.4104   18.308   2.2159 -0.9315872 3.274186 
1 1 1   22   17   21 o   30.370   1.1794  125.027   9.6202  126.432   15.104  124.068   12.479   30.275   1.8665   30.114   1.5481 0.1610603 2.424943 
1 1 1   22   17   22 o   25.001   1.4949   85.498   9.9922   82.771   14.052   88.287   14.212   24.354   2.1710   25.179   2.1212 -0.8249340 3.035254 
1 1 1   22   17   23 o   19.433   1.7834   52.223   9.2051   47.741   11.108   62.050   16.448   18.399   2.2977   20.668   3.0549 -2.268997 3.822564 
1 1 1   22   17   24 o   13.603   2.4445   26.571   8.6033   34.435   10.186   6.9991   16.070   15.496   2.5350   9.5275   3.9141 5.968574 4.663321 
1 1 1   22   17   25 o   6.1994   2.5095   2.6332   6.4882   1.7466   8.2290   4.0900   10.548   6.6036   2.7646   7.7585   3.1774 -1.154918 4.211730 
1 1 1   22   17   26 o   11.108   2.3787   17.865   6.8829   26.500   8.9942   5.6617   10.692   13.523   2.5702   8.0884   3.2399 5.434577 4.135612 
1 1 1   22   17   27 o   12.214   2.3361   21.504   7.3846   26.448   9.3622   13.364   12.014   13.453   2.6851   9.9549   3.5548 3.497913 4.454946 
1 1 1   22   17   28 o   6.3943   2.5963   2.8539   6.9673  -4.5520   8.6092   16.912   11.861   5.6423   2.5717   10.744   3.5426 -5.101384 4.377636 
1 1 1   22   17   29 o   25.245   1.3077   87.118   8.8365   97.342   12.733   77.620   12.273   26.486   1.8006   23.568   1.9565 2.917231 2.658950 
1 1 1   22   17   30 o   24.727   1.3468   83.799   8.9111   91.615   12.359   75.336   12.860   25.657   1.8050   23.113   2.0942 2.543631 2.764714 
1 1 1   22   17   31 o   10.569   3.0571   16.980   9.1715   5.3718   12.901   28.841   13.041   8.3877   3.4822   13.521   3.5468 -5.133023 4.970469 
1 1 1   22   17   32 o   17.476   3.0461   46.378   13.778   60.755   26.154   40.855   16.210   18.217   5.1280   15.848   3.8468 2.368834 6.410525 
1 1 1   22   17   33 o   13.537   3.7267   30.072   13.979   51.450   31.801   24.951   15.563   15.821   5.7657   12.259   4.0587 3.561620 7.050965 
1 1 1   22   17   34 o   30.130   2.3140  131.777   18.583   0.0000   0.0000  131.777   18.583  ?   ?    30.130   2.3140 0.000000 2.313983 
1 1 1   22   17   35 o   18.632   5.0828   67.950   26.142   0.0000   0.0000   67.950   26.142  ?   ?    18.632   5.0828 0.000000 5.082763 
1 1 1   22   17   36 o   11.457   4.7677   22.220   24.265   0.0000   0.0000   22.220   24.265  ?   ?    11.457   4.7677 0.000000 4.767653 
1 1 1   22   18  -31 o   26.138   2.9242  103.311   20.178  103.311   20.178   0.0000   0.0000   26.138   2.9242  ?   ?  0.000000 2.924200 
1 1 1   22   18  -30 o   13.533   3.7102   29.882   13.889   24.999   18.597   36.040   20.885   12.288   4.4192   14.233   4.7012 -1.945734 6.452204 
1 1 1   22   18  -29 o   10.922   3.1872   18.413   9.9295   27.826   17.079   13.606   12.204   12.964   4.2498   9.8058   3.5721 3.157913 5.551626 
1 1 1   22   18  -28 o   21.346   1.9796   64.189   11.221   62.679   19.381   64.951   13.761   19.967   3.7517   21.210   2.4613 -1.243437 4.487002 
1 1 1   22   18  -27 o   7.1256   2.9984   2.3606   9.7596  -3.2269   16.375   5.4389   12.154   8.0781   3.6271   8.2868   3.4042 -0.2086582 4.974353 
1 1 1   22   18  -26 o   26.199   1.4453   94.185   10.131   85.544   14.587  102.238   14.082   24.604   2.2315   27.068   1.9500 -2.463589 2.963501 
1 1 1   22   18  -25 o   35.637   1.1461  172.457   10.970  164.645   13.515  187.546   18.784   34.706   1.4498   36.761   1.9090 -2.054829 2.397170 
1 1 1   22   18  -24 o   18.944   1.6680   49.630   8.4005   45.380   11.162   55.183   12.757   17.840   2.3895   19.662   2.4701 -1.821707 3.436734 
1 1 1   22   18  -23 o   26.938   1.2233   98.581   8.8508   91.921   12.122  106.185   12.953   25.800   1.7599   27.743   1.7472 -1.942877 2.479903 
1 1 1   22   18  -22 o   8.0929   2.6720   8.9847   6.7472   3.3905   9.9422   13.761   9.1865   7.4453   3.0710   9.7841   3.1092 -2.338834 4.370160 
1 1 1   22   18  -21 o   20.117   1.5914   55.678   8.5287   63.816   11.091   43.904   13.341   21.423   1.9488   17.331   2.9730 4.091530 3.554798 
1 1 1   22   18  -20 o   10.669   2.4642   16.542   6.9188   17.562   10.028   15.614   9.5586   10.908   3.2086   10.345   3.1540 0.5628529 4.499208 
1 1 1   22   18  -19 o   6.4712   2.5860   3.3001   6.7941   10.596   9.6244  -3.9473   9.5924   8.9971   3.1851   6.1198   2.7594 2.877260 4.214141 
1 1 1   22   18  -18 o   24.701   1.2273   82.816   8.1426   82.352   11.494   83.283   11.537   24.436   1.7631   24.576   1.7595 -0.1396675 2.490823 
1 1 1   22   18  -17 f   39.260   1.0126  208.500   10.678  211.382   14.303  204.871   16.051   39.420   1.3508   38.733   1.5428 0.6870422 2.050643 
1 1 1   22   18  -16 o   18.321   1.7297   46.406   8.4108   45.034   10.426   48.964   14.234   17.884   2.2181   18.333   2.9940 -0.4490623 3.726130 
1 1 1   22   18  -15 o   28.659   1.1264  111.276   8.6702  119.884   10.075   86.706   17.022   29.713   1.2624   24.715   2.6034 4.998280 2.893339 
1 1 1   22   18  -14 o   8.3922   2.6669   9.8478   6.7586   11.740   8.4530   6.4948   11.253   9.1618   2.9892   8.4096   3.3385 0.7522030 4.481133 
1 1 1   22   18  -13 o   18.892   1.4254   48.861   7.1796   46.419   9.2690   52.523   11.352   18.270   1.9174   19.336   2.2264 -1.065987 2.938231 
1 1 1   22   18  -12 o   25.522   1.1569   88.272   7.9305   84.681   11.190   91.895   11.241   24.818   1.6888   25.879   1.6254 -1.061718 2.343921 
1 1 1   22   18  -11 f   11.148   2.3818   17.929   6.9151   22.518   9.6249   13.032   9.9418   12.364   2.9411   9.6891   3.2450 2.675056 4.379521 
1 1 1   22   18  -10 o   32.703   0.9435  144.478   8.2873  157.460   11.213  128.846   12.303   34.072   1.2252   30.749   1.4897 3.323414 1.928824 
1 1 1   22   18   -9 o   8.1583   2.7072   9.0301   6.9229   18.398   8.7272  -6.8704   11.370   11.196   2.8844   6.3719   2.9235 4.823586 4.106901 
1 1 1   22   18   -8 o   11.310   2.3715   18.417   6.9740   28.753   10.168   9.2342   9.5836   14.064   2.7902   8.6770   3.1647 5.387275 4.219072 
1 1 1   22   18   -7 o   10.612   2.2854   16.186   6.3214   12.498   8.7815   20.152   9.1069   9.4347   3.0443   11.715   2.9079 -2.280046 4.209937 
1 1 1   22   18   -6 o   16.505   1.5333   37.433   6.7194   28.103   9.3413   47.437   9.6727   13.976   2.5837   18.468   1.9810 -4.492191 3.255730 
1 1 1   22   18   -5 o   45.053   0.8311  273.777   10.057  264.293   14.112  283.566   14.336   44.166   1.1896   45.755   1.1665 -1.589787 1.666132 
1 1 1   22   18   -4 o   5.3158   2.3254  -1.0641   6.3127  -0.2164   9.0367  -1.8721   8.8223   6.5347   2.8209   6.1769   2.7241 0.3578057 3.921519 
1 1 1   22   18   -3 o   13.452   1.8989   25.298   6.6698   22.107   9.7062   28.152   9.1808   12.266   2.9765   14.010   2.5331 -1.744284 3.908407 
1 1 1   22   18   -2 o   29.300   1.1084  116.171   8.7231  144.937   13.899   97.476   11.205   32.599   1.5874   26.694   1.5696 5.904158 2.232403 
1 1 1   22   18   -1 o   27.286   1.2842  101.002   9.4115  101.484   13.453  100.540   13.171   27.143   1.8564   27.027   1.8251 0.1157875 2.603332 
1 1 1   22   18    0 o   5.9305   2.5052   0.7980   6.8556   0.9621   10.934   0.6917   8.8003   7.3510   3.1367   6.6193   2.8190 0.7317390 4.217344 
1 1 1   22   18    1 o   21.432   1.2856   62.532   7.3662   51.103   11.085   71.571   9.8578   19.109   2.1998   22.847   1.6168 -3.737986 2.730053 
1 1 1   22   18    2 o   23.438   1.2643   74.712   7.9298   77.882   13.151   72.900   9.9400   23.680   2.0892   23.060   1.6151 0.6198845 2.640685 
1 1 1   22   18    3 o   18.813   1.4768   48.460   7.4024   50.112   11.525   47.301   9.6581   18.876   2.3221   18.446   1.9804 0.4303093 3.051934 
1 1 1   22   18    4 o   28.791   1.1453  112.234   8.8567  115.323   14.537  110.410   11.169   28.929   1.8811   28.446   1.4668 0.4827003 2.385395 
1 1 1   22   18    5 o   13.045   2.1678   24.097   7.3289   23.437   10.171   24.810   10.570   12.612   3.0385   12.968   3.0803 -0.3560982 4.326706 
1 1 1   22   18    6 o   16.748   1.6886   38.715   7.4919   41.895   9.9525   34.557   11.381   17.275   2.1945   15.437   2.8499 1.838284 3.596939 
1 1 1   22   18    7 o   34.601   1.0254  161.872   9.5293  167.836   13.717  156.308   13.248   35.114   1.4544   33.887   1.4556 1.227703 2.057669 
1 1 1   22   18    8 o   39.340   1.0642  209.369   11.245  206.955   15.271  212.227   16.619   38.988   1.4583   39.440   1.5688 -0.4513741 2.141923 
1 1 1   22   18    9 o   12.993   2.0334   23.793   6.8633   24.265   9.0599   23.156   10.514   12.921   2.6977   12.500   3.1367 0.4208126 4.137198 
1 1 1   22   18   10 o   38.274   0.9077  197.806   9.3316  198.070   12.772  197.505   13.667   38.208   1.2445   38.125   1.3347 0.8366394E-01 1.824895 
1 1 1   22   18   11 f   5.0356   2.2682  -2.8836   6.4612  -4.6779   8.4082  -0.2963   10.097   5.5768   2.5417   6.8637   2.9724 -1.286941 3.910911 
1 1 1   22   18   12 o   24.850   1.2292   83.778   8.2042   78.982   10.143   92.855   13.954   23.999   1.5824   25.865   2.0247 -1.866516 2.569690 
1 1 1   22   18   13 o   7.7772   2.6548   7.9928   6.6552   2.9346   8.6276   15.425   10.458   6.9853   2.8686   10.360   3.3201 -3.374838 4.387716 
1 1 1   22   18   14 o   22.095   1.3738   66.660   8.1122   67.501   10.383   65.342   12.998   22.117   1.7624   21.567   2.2782 0.5498676 2.880350 
1 1 1   22   18   15 o   13.283   2.2413   25.121   7.7114   31.630   11.068   18.981   10.750   14.699   2.9065   11.319   3.3200 3.379557 4.412505 
1 1 1   22   18   16 o   55.049   0.9623  409.620   14.228  410.912   21.987  408.689   18.663   54.888   1.4914   54.857   1.2666 0.3091812E-01 1.956715 
1 1 1   22   18   17 f   20.686   1.5600   58.766   8.6036   56.045   11.448   62.298   13.042   19.994   2.1663   21.016   2.3508 -1.021896 3.196751 
1 1 1   22   18   18 o   18.828   1.8625   49.213   9.2949   61.719   11.525   25.947   15.720   21.029   2.0672   13.049   4.0563 7.980419 4.552655 
1 1 1   22   18   19 o   7.8283   2.8486   7.4539   7.7580   0.9622   10.101   16.790   12.114   7.0636   3.0145   10.808   3.5809 -3.744328 4.680815 
1 1 1   22   18   20 o   12.660   2.3906   23.058   7.8310   29.493   10.290   14.202   12.071   14.213   2.7952   10.191   3.5706 4.021403 4.534622 
1 1 1   22   18   21 o   12.194   2.6190   21.683   8.3219   22.209   12.304   21.239   11.298   12.146   3.5488   11.905   3.3772 0.2414589 4.898944 
1 1 1   22   18   22 o   14.474   2.0546   29.536   7.7630   38.893   10.415   17.837   11.645   16.509   2.4207   11.015   3.5007 5.494422 4.256079 
1 1 1   22   18   23 o   18.321   1.7280   46.493   8.4028   42.164   10.755   53.276   13.463   17.201   2.3927   19.239   2.6780 -2.038120 3.591166 
1 1 1   22   18   24 o   23.422   1.2842   74.866   8.0480   78.275   11.283   71.335   11.483   23.779   1.7795   22.645   1.9057 1.134148 2.607319 
1 1 1   22   18   25 o   25.543   1.2863   89.064   8.7962   88.312   12.341   89.841   12.540   25.225   1.8341   25.437   1.8481 -0.2123432 2.603722 
1 1 1   22   18   26 o   33.585   1.0286  152.924   9.2790  158.122   11.705  144.133   15.222   34.063   1.2794   32.267   1.7631 1.795982 2.178386 
1 1 1   22   18   27 o   17.300   1.8241   41.898   8.3479   48.391   11.823   35.444   11.788   18.316   2.4660   15.401   2.9572 2.914432 3.850513 
1 1 1   22   18   28 o   15.993   2.1641   36.588   9.0574   23.613   13.712   46.633   12.064   12.219   3.7866   17.869   2.5891 -5.649726 4.587164 
1 1 1   22   18   29 o   20.227   2.0853   58.202   11.167   72.242   18.631   50.331   13.950   21.720   3.2972   18.310   2.9358 3.409832 4.414811 
1 1 1   22   18   30 o   14.323   3.2847   32.242   12.367   56.190   34.228   28.646   13.263   16.362   5.9789   13.300   3.6171 3.061818 6.987881 
1 1 1   22   18   31 o   8.7049   3.6300   6.9089   14.108   0.7330   31.851   8.4164   15.736   10.555   4.8612   9.2017   3.8351 1.353154 6.191884 
1 1 1   22   18   32 o   20.387   3.0332   64.279   16.103   25.100   28.304   83.029   19.580   12.229   5.1238   22.978   3.2644 -10.74905 6.075369 
1 1 1   22   18   33 o   9.7389   4.3595   5.9370   23.465   0.0000   0.0000   5.9370   23.465  ?   ?    9.7389   4.3595 0.000000 4.359492 
1 1 1   22   19  -30 o   19.964   5.5025   82.970   30.454   82.970   30.454   0.0000   0.0000   19.964   5.5025  ?   ?  0.000000 5.502541 
1 1 1   22   19  -29 o   13.946   4.5080   35.518   19.249   35.518   19.249   0.0000   0.0000   13.946   4.5080  ?   ?  0.000000 4.508008 
1 1 1   22   19  -28 o   14.007   3.5804   32.023   13.522   35.415   17.565   27.090   21.184   14.254   4.2600   12.524   4.6805 1.730339 6.328877 
1 1 1   22   19  -27 o   10.658   3.3176   17.722   10.512  -3.3865   17.308   30.060   13.232   8.1032   3.6752   13.650   3.5689 -5.546584 5.122875 
1 1 1   22   19  -26 o   18.641   2.2323   49.942   10.954   58.445   18.882   45.628   13.449   19.092   3.8155   17.375   2.9897 1.716965 4.847332 
1 1 1   22   19  -25 o   14.962   2.6819   33.143   10.382   45.700   17.271   26.039   12.991   16.861   3.8925   12.823   3.6157 4.038560 5.312728 
1 1 1   22   19  -24 o   11.605   3.3690   20.733   11.120   31.803   17.638   13.430   14.327   13.937   4.2907   10.111   3.8339 3.825681 5.754018 
1 1 1   22   19  -23 o   23.219   1.6471   74.594   10.206   82.995   17.754   70.447   12.472   23.852   2.8262   22.357   2.1016 1.494091 3.522010 
1 1 1   22   19  -22 o   13.666   2.0689   26.549   7.3567   23.176   10.731   29.539   10.105   12.355   3.2061   14.156   2.7568 -1.801422 4.228328 
1 1 1   22   19  -21 f   26.849   1.2536   98.105   9.0403  108.651   13.046   88.364   12.539   28.034   1.7413   25.217   1.8644 2.816423 2.551106 
1 1 1   22   19  -20 o   12.278   2.5082   21.966   7.9921   14.758   10.847   30.527   11.821   10.142   3.3896   14.260   3.1685 -4.117538 4.639930 
1 1 1   22   19  -19 o   31.849   1.0826  137.494   9.2612  137.478   13.314  137.510   12.891   31.688   1.5643   31.711   1.5135 -0.2310371E-01 2.176636 
1 1 1   22   19  -18 o   23.194   1.2970   73.410   8.0473   72.045   11.402   74.766   11.359   22.779   1.8804   23.225   1.8359 -0.4463177 2.628002 
1 1 1   22   19  -17 f   8.4687   2.7810   9.9518   7.3122   20.236   9.7436  -3.3082   11.064   11.651   3.0705   6.6954   2.9956 4.955151 4.289652 
1 1 1   22   19  -16 o   6.3689   2.5181   3.4722   6.3778   9.8314   8.0656  -7.1382   10.418   8.5372   2.9225   5.9863   2.7653 2.550939 4.023426 
1 1 1   22   19  -15 o   13.365   1.9776   25.173   6.8848   28.759   8.5374   18.503   11.643   14.188   2.3206   11.181   3.4933 3.006330 4.193856 
1 1 1   22   19  -14 o   7.8142   2.5864   8.3231   6.3203   1.5320   8.0075   19.545   10.293   6.4773   2.7203   11.447   3.2152 -4.970102 4.211594 
1 1 1   22   19  -13 o   32.586   1.0890  143.861   9.5308  145.356   14.605  142.752   12.578   32.519   1.6779   32.351   1.4476 0.1675110 2.216013 
1 1 1   22   19  -12 o   12.123   2.2131   21.025   6.9405   24.175   9.2224   16.911   10.540   12.840   2.7565   10.729   3.3191 2.111266 4.314462 
1 1 1   22   19  -11 o   5.9573   2.5198   0.8619   6.9508   3.8371   8.8603  -3.8991   11.208   7.2282   2.9303   6.6686   2.9970 0.5596476 4.191489 
1 1 1   22   19  -10 o   12.380   2.4835   22.194   7.9709   25.150   10.063   17.216   13.059   13.043   2.9425   10.963   3.7189 2.079966 4.742158 
1 1 1   22   19   -9 o   22.280   1.3585   67.810   8.0912   67.151   9.7807   69.238   14.402   22.080   1.6614   22.099   2.4685 -0.1906776E-01 2.975518 
1 1 1   22   19   -8 o   10.887   2.7630   17.426   8.0931   20.227   8.9272   4.5029   19.175   11.707   2.8629   9.7628   4.1595 1.944191 5.049547 
1 1 1   22   19   -7 o   12.468   2.3503   22.341   7.5817   25.630   8.9397   13.915   14.309   13.292   2.5972   10.407   3.8551 2.885182 4.648377 
1 1 1   22   19   -6 o   25.749   1.1494   89.890   7.9490  105.563   11.647   76.225   10.876   27.749   1.5691   23.510   1.7346 4.238726 2.339023 
1 1 1   22   19   -5 o   31.428   1.0030  133.606   8.4668  129.050   11.468  139.064   12.554   30.787   1.3868   31.934   1.4636 -1.147366 2.016290 
1 1 1   22   19   -4 o   19.620   1.3610   52.624   7.1279   50.387   9.6278   55.338   10.603   19.035   1.9088   19.921   2.0092 -0.8856449 2.771392 
1 1 1   22   19   -3 o   6.0391   2.5272   1.3544   6.8724  -0.3812   8.7524   4.1450   11.098   6.3831   2.7658   7.9135   3.2521 -1.530406 4.269179 
1 1 1   22   19   -2 o   10.375   2.4971   15.668   6.8748   14.123   9.0242   17.804   10.613   9.8924   3.0730   10.989   3.3174 -1.096271 4.521974 
1 1 1   22   19   -1 o   3.9424   1.9026  -9.1565   6.0531 -22.6537   8.5193   4.6039   8.6019   3.9023   1.9513   7.3308   2.9161 -3.428504 3.508720 
1 1 1   22   19    0 o   12.593   2.1457   22.546   6.9975   19.180   10.316   25.414   9.5234   11.365   3.2282   13.179   2.7780 -1.814018 4.258931 
1 1 1   22   19    1 o   28.359   1.1514  109.024   8.7704  115.314   14.045  105.003   11.229   28.911   1.8179   27.697   1.5152 1.214149 2.366548 
1 1 1   22   19    2 o   14.260   1.9076   28.470   7.1232   19.461   10.824   35.352   9.4606   11.440   3.3245   15.784   2.2991 -4.343694 4.042066 
1 1 1   22   19    3 o   15.066   1.9380   31.770   7.6605   22.662   12.299   37.543   9.7920   12.272   3.5373   16.271   2.3050 -3.999689 4.222060 
1 1 1   22   19    4 o   8.7524   2.5713   11.001   6.4437   8.9337   8.8481   13.336   9.4026   8.4363   3.0464   9.6955   3.1521 -1.259261 4.383600 
1 1 1   22   19    5 o   26.527   1.0669   95.274   7.6015   90.458   10.449  100.689   11.079   25.697   1.5207   27.114   1.5275 -1.416475 2.155393 
1 1 1   22   19    6 o   36.747   0.9522  182.537   9.3983  171.233   12.245  198.742   14.662   35.497   1.2843   38.188   1.4294 -2.691517 1.921647 
1 1 1   22   19    7 o   8.0335   2.6818   8.7630   6.7900   10.956   8.7658   5.4732   10.736   8.9633   3.0468   8.0698   3.2416 0.8935328 4.448709 
1 1 1   22   19    8 o   30.178   1.0772  123.344   8.7311  129.852   11.025  112.396   14.300   30.897   1.3285   28.508   1.8781 2.388790 2.300443 
1 1 1   22   19    9 o   31.223   1.0839  132.053   9.0900  129.086   11.235  137.677   15.468   30.796   1.3583   31.583   1.8313 -0.7873192 2.280012 
1 1 1   22   19   10 o   9.2354   3.0188   11.995   8.6202   11.004   9.4689   16.795   20.832   9.0681   3.1632   11.712   4.5751 -2.644368 5.562178 
1 1 1   22   19   11 o   29.173   1.3517  115.838   10.591  119.006   12.378  107.181   20.462   29.461   1.5699   27.333   2.8281 2.127697 3.234614 
1 1 1   22   19   12 o   17.393   1.7289   41.910   7.9699   41.704   9.5370   42.389   14.512   17.226   2.1051   16.850   3.3245 0.3754120 3.934944 
1 1 1   22   19   13 o   35.804   1.0514  173.575   10.111  169.890   13.252  178.707   15.641   35.311   1.3973   36.130   1.6118 -0.8190536 2.133103 
1 1 1   22   19   14 o   7.9104   2.8489   7.8128   7.7314   16.373   10.796  -1.1978   11.077   10.596   3.3710   7.0079   3.0726 3.588315 4.561180 
1 1 1   22   19   15 o   7.5992   2.8894   6.2821   8.1511   10.824   10.804   0.2814   12.419   9.2204   3.3606   7.6207   3.2983 1.599770 4.708781 
1 1 1   22   19   16 o   30.533   1.0628  126.270   8.7161  134.199   11.729  116.491   13.025   31.383   1.3915   29.101   1.6735 2.282068 2.176406 
1 1 1   22   19   17 f   40.464   0.9278  221.336   10.083  233.909   13.590  205.939   15.039   41.499   1.2192   38.852   1.4412 2.646732 1.887748 
1 1 1   22   19   18 o   13.798   2.3239   27.271   8.3063   28.849   11.046   25.218   12.601   13.930   3.0379   12.867   3.5367 1.063379 4.662246 
1 1 1   22   19   19 o   19.065   1.5815   50.104   8.0252   48.935   10.858   51.510   11.914   18.613   2.2154   19.032   2.3829 -0.4184246 3.253646 
1 1 1   22   19   20 o   10.157   2.8605   15.231   8.1358   30.136   12.511   4.3106   10.709   14.091   3.3542   7.8003   3.1988 6.290605 4.634953 
1 1 1   22   19   21 f   27.238   1.4619  101.728   10.656  100.645   14.566  102.974   15.631   26.837   2.0360   27.077   2.1674 -0.2408142 2.973707 
1 1 1   22   19   22 o   16.312   1.7854   37.146   7.6945   41.902   10.628   31.905   11.155   17.100   2.3783   14.645   2.9380 2.454885 3.779984 
1 1 1   22   19   23 o   33.855   1.0324  155.469   9.3874  156.856   13.363  154.118   13.190   33.833   1.4705   33.540   1.4642 0.2936974 2.075158 
1 1 1   22   19   24 o   11.062   2.6974   18.269   7.9420   17.696   10.771   18.951   11.757   10.799   3.3577   11.135   3.5152 -0.3363571 4.861123 
1 1 1   22   19   25 o   43.373   1.1153  256.027   12.993  253.872   22.074  257.169   16.073   42.634   1.9277   43.317   1.3814 -0.6832924 2.371594 
1 1 1   22   19   26 o   12.290   3.4611   23.899   11.911   57.240   32.411   18.693   12.807   16.914   5.8550   10.981   3.6831 5.932895 6.917127 
1 1 1   22   19   27 o   16.873   2.4777   41.846   10.894   27.033   18.432   49.800   13.506   12.654   4.4134   18.188   2.8591 -5.533939 5.258530 
1 1 1   22   19   28 o   18.487   2.2569   49.655   10.974   66.178   18.914   41.271   13.474   20.309   3.5991   16.234   3.2037 4.074718 4.818437 
1 1 1   22   19   29 o   9.1396   3.8176   8.6143   15.641   3.2370   27.691   11.134   18.954   10.147   4.6199   9.9230   4.1772 0.2237492 6.228369 
1 1 1   22   19   30 o   17.574   3.4538   50.345   15.722   40.930   29.138   54.211   18.673   13.889   5.4149   17.698   4.0198 -3.808144 6.743941 
1 1 1   22   19   31 o   9.1696   4.3353  -7.5390   28.176   0.0000   0.0000  -7.5390   28.176  ?   ?    9.1696   4.3353 0.000000 4.335305 
1 1 1   22   20  -29 o   11.079   4.9116   19.290   29.048   0.0000   0.0000   19.290   29.048  ?   ?    11.079   4.9116 0.000000 4.911606 
1 1 1   22   20  -28 o   11.971   4.9770   26.850   26.408   26.850   26.408   0.0000   0.0000   11.971   4.9770  ?   ?  0.000000 4.976950 
1 1 1   22   20  -27 o   18.663   3.4911   56.975   16.857   56.975   16.857   0.0000   0.0000   18.663   3.4911  ?   ?  0.000000 3.491132 
1 1 1   22   20  -26 o   14.701   3.3640   34.975   12.996   40.904   18.031   28.567   18.746   15.159   4.2547   12.623   4.4477 2.536601 6.155034 
1 1 1   22   20  -25 o   14.371   3.0480   32.220   11.401   33.872   18.522   31.212   14.466   13.786   4.4185   13.643   3.8044 0.1432877 5.830686 
1 1 1   22   20  -24 o   24.148   1.7644   81.891   11.365   86.599   20.488   79.799   13.658   23.607   3.3232   23.568   2.1825 0.3988647E-01 3.975776 
1 1 1   22   20  -23 o   13.933   2.9086   29.582   10.533   48.616   18.923   21.037   12.679   17.018   4.1721   11.495   3.6527 5.523397 5.545135 
1 1 1   22   20  -22 o   5.9956   2.8047  -8.6980   11.255 -49.3400   30.047  -2.0653   12.138   7.8579   3.8839   7.0584   3.1493 0.7994699 5.000246 
1 1 1   22   20  -21 o   8.5175   3.0001   9.9293   8.5285   9.2890   13.229   10.385   11.156   9.1338   3.6217   9.0148   3.3912 0.1189880 4.961586 
1 1 1   22   20  -20 o   19.885   1.6591   54.922   8.7803   64.384   13.390   47.783   11.630   21.179   2.3960   18.190   2.4420 2.988113 3.421152 
1 1 1   22   20  -19 o   4.3232   2.1005 -12.4725   7.7019   7.7595   11.070 -31.4513   10.722   8.4966   3.3307   4.1818   2.1045 4.314791 3.939857 
1 1 1   22   20  -18 o   39.706   1.1153  214.157   11.894  220.213   15.082  204.194   19.345   40.133   1.3992   38.374   1.8769 1.758785 2.341002 
1 1 1   22   20  -17 o   31.125   1.0137  131.294   8.4740  116.037   11.023  153.342   13.251   29.138   1.4084   33.468   1.4741 -4.330124 2.038776 
1 1 1   22   20  -16 o   5.1591   2.3096  -2.3481   6.5876  -5.6252   8.1352   3.8934   11.227   5.2996   2.4465   7.8386   3.2509 -2.538976 4.068593 
1 1 1   22   20  -15 o   48.781   0.9171  321.839   12.017  317.214   17.059  326.394   16.930   48.249   1.3163   48.958   1.2875 -0.7084274 1.841294 
1 1 1   22   20  -14 o   50.734   0.8551  347.759   11.652  353.271   15.812  341.209   17.238   51.008   1.1542   50.066   1.2819 0.9420509 1.724888 
1 1 1   22   20  -13 o   23.835   1.2129   77.399   7.7391   75.628   10.115   79.898   12.019   23.430   1.6173   23.981   1.8811 -0.5505390 2.480729 
1 1 1   22   20  -12 o   9.1198   2.8100   11.988   7.5632   6.2186   9.7025   20.923   12.074   7.9397   3.1164   11.767   3.5353 -3.827725 4.712788 
1 1 1   22   20  -11 f   17.454   1.8157   42.399   8.3871   24.566   12.757   55.977   11.131   12.682   3.5855   19.967   2.1075 -7.284707 4.158958 
1 1 1   22   20  -10 o   18.175   1.5446   45.508   7.4689   48.456   10.415   42.387   10.717   18.557   2.1279   17.244   2.3770 1.312639 3.190363 
1 1 1   22   20   -9 o   29.319   1.0633  116.474   8.3732  122.533   11.141  108.609   12.693   29.980   1.3836   28.075   1.6912 1.905239 2.185069 
1 1 1   22   20   -8 o   8.5773   2.6697   10.474   6.8072   12.111   9.0975   8.3920   10.261   9.2958   3.1042   8.5499   3.2440 0.7459068 4.489931 
1 1 1   22   20   -7 o   5.3834   2.4040  -2.3597   7.0889   7.5336   8.9950 -18.5768   11.516   8.0879   3.0446   5.2647   2.5603 2.823252 3.978033 
1 1 1   22   20   -6 o   31.625   1.0311  135.439   8.7585  133.204   11.560  138.449   13.419   31.262   1.3768   31.801   1.5711 -0.5390358 2.088965 
1 1 1   22   20   -5 o   36.759   0.9950  182.880   9.8240  188.166   12.562  174.556   15.763   37.201   1.2572   35.675   1.6451 1.526295 2.070493 
1 1 1   22   20   -4 o   15.224   1.8172   32.348   7.2838   24.302   9.4438   44.162   11.444   12.835   2.8167   17.560   2.4966 -4.724899 3.763889 
1 1 1   22   20   -3 o   20.367   1.3601   56.758   7.3974   44.679   10.145   70.474   10.810   17.798   2.1668   22.556   1.7993 -4.758141 2.816463 
1 1 1   22   20   -2 f   26.710   1.1472   96.801   8.2301  100.534   12.016   93.502   11.296   27.021   1.6637   26.071   1.6211 0.9492321 2.322937 
1 1 1   22   20   -1 o   12.139   2.2460   21.151   7.0533   32.792   10.265   10.740   9.7080   15.035   2.6382   9.0145   3.1981 6.020198 4.145795 
1 1 1   22   20    0 o   9.2071   2.5822   12.338   6.6441   20.317   9.1846   3.5783   9.6230   11.694   2.9302   7.3798   3.0300 4.313772 4.215104 
1 1 1   22   20    1 o   26.214   1.2658   93.447   8.9127   97.968   14.368   90.619   11.363   26.513   2.0331   25.651   1.6582 0.8613510 2.623596 
1 1 1   22   20    2 f   10.005   2.6521   14.686   7.2421   13.293   10.659   15.881   9.8700   9.7764   3.3593   10.399   3.2110 -0.6230440 4.647058 
1 1 1   22   20    3 o   18.420   1.4805   46.632   7.2629   55.804   10.100   36.811   10.452   20.020   1.9011   15.999   2.5152 4.020761 3.152835 
1 1 1   22   20    4 o   35.941   0.9865  174.803   9.5226  173.215   13.928  176.196   13.049   35.618   1.4558   35.964   1.3509 -0.3461494 1.986052 
1 1 1   22   20    5 o   32.052   0.9939  139.037   8.5559  137.497   11.758  140.769   12.474   31.761   1.3783   32.113   1.4462 -0.3517990 1.997780 
1 1 1   22   20    6 o   48.086   0.8517  312.301   11.001  305.778   15.091  319.698   16.070   47.456   1.1840   48.502   1.2336 -1.045544 1.709798 
1 1 1   22   20    7 o   35.658   0.9947  172.090   9.5264  172.930   12.343  170.851   14.982   35.652   1.2890   35.323   1.5792 0.3290634 2.038444 
1 1 1   22   20    8 o   31.145   1.0951  131.503   9.1605  127.524   11.335  138.995   15.554   30.586   1.3797   31.704   1.8344 -1.117971 2.295365 
1 1 1   22   20    9 o   7.0312   2.6702   5.3232   6.9559   9.2329   9.0606  -0.2885   10.855   8.5234   3.0820   7.0633   3.0704 1.460047 4.350366 
1 1 1   22   20   10 o   14.324   1.9144   28.809   7.1813   24.866   9.4846   34.105   10.993   12.989   2.8010   15.276   2.7818 -2.286396 3.947661 
1 1 1   22   20   11 f   28.804   1.1130  112.525   8.6111  113.261   11.919  111.723   12.454   28.727   1.5505   28.497   1.6339 0.2298832 2.252543 
1 1 1   22   20   12 o   31.117   1.1038  131.313   9.2251  120.373   12.583  144.026   13.565   29.599   1.5886   32.433   1.5571 -2.833786 2.224450 
1 1 1   22   20   13 o   33.440   1.1017  151.662   9.8953  150.147   14.706  152.916   13.377   33.028   1.6631   33.443   1.4892 -0.4152985 2.232381 
1 1 1   22   20   14 o   6.2722   2.6334   1.4814   7.5013   0.4456   9.2896   3.4225   12.717   6.6799   2.8718   8.1489   3.4255 -1.468956 4.470026 
1 1 1   22   20   15 o   11.041   3.0829   18.246   9.4925   23.905   13.657   12.956   13.203   12.463   3.7634   9.9817   3.7021 2.481048 5.279104 
1 1 1   22   20   16 o   21.979   1.3437   66.124   7.8944   65.562   10.542   66.842   11.912   21.714   1.8244   21.828   2.0561 -0.1135807 2.748760 
1 1 1   22   20   17 o   11.803   2.3424   20.225   7.1638   20.685   9.4415   19.600   10.998   11.734   2.9878   11.370   3.3646 0.3637438 4.499720 
1 1 1   22   20   18 o   26.325   1.1783   94.265   8.3313   96.438   11.078   91.435   12.640   26.456   1.5660   25.631   1.8485 0.8247147 2.422655 
1 1 1   22   20   19 o   35.812   1.2689  174.909   12.205  169.716   15.387  183.719   20.043   35.102   1.6321   36.195   2.0703 -1.093292 2.636222 
1 1 1   22   20   20 o   14.070   2.5039   28.954   9.1157   17.474   13.772   37.905   12.161   10.868   3.8135   15.917   2.9534 -5.048625 4.823424 
1 1 1   22   20   21 o   6.3156   2.6361   2.0183   7.4507  -9.9627   10.911   12.485   10.199   5.7669   2.7177   9.3825   3.2823 -3.615596 4.261416 
1 1 1   22   20   22 o   16.520   2.3654   39.609   10.196   68.410   22.132   31.850   11.488   20.410   4.1780   14.433   3.0584 5.976576 5.177794 
1 1 1   22   20   23 o   12.653   3.3911   25.390   11.759   27.250   31.972   25.099   12.645   13.086   5.4613   12.500   3.5821 0.5858650 6.531203 
1 1 1   22   20   24 o   39.762   1.4213  217.963   15.179  178.700   39.336  224.833   16.453   32.040   4.7117   40.309   1.5197 -8.269360 4.950740 
1 1 1   22   20   25 o   19.061   2.3804   53.297   11.921   68.710   33.141   51.006   12.776   17.757   5.9248   18.461   2.6529 -0.7032852 6.491654 
1 1 1   22   20   26 o   8.5093   3.4438   8.1451   12.216 -29.6700   30.161   15.566   13.361   8.4409   4.1136   10.076   3.7267 -1.634910 5.550626 
1 1 1   22   20   27 o   9.8748   3.9230   14.033   15.549   93.980   29.030 -18.1327   18.414   22.109   5.0051   6.9332   3.3390 15.17564 6.016604 
1 1 1   22   20   28 o   9.3506   4.1115   7.3516   19.958   44.320   27.611 -33.1000   28.882   14.141   5.3319   7.9254   3.8961 6.215518 6.603651 
1 1 1   22   20   29 o   10.471   4.2856   17.838   19.176   9.8610   26.682   26.360   27.579   10.123   4.5798   11.722   4.9912 -1.598785 6.773975 
1 1 1   22   21  -27 o   17.041   4.4221   56.804   20.415   61.210   26.910   50.830   31.334   16.080   5.3376   13.887   5.5521 2.192854 7.701698 
1 1 1   22   21  -26 o   10.772   4.2861   20.460   18.586   33.480   26.023   6.9030   26.555   12.460   5.0321   9.8003   4.4859 2.660097 6.741315 
1 1 1   22   21  -25 o   15.192   3.5515   39.181   14.232   73.790   27.663   26.724   16.597   18.601   5.2873   12.038   4.1885 6.562986 6.745313 
1 1 1   22   21  -24 o   8.9856   3.4379   11.557   11.585  -0.8039   15.469   27.342   17.482   7.7563   3.5001   12.227   4.2962 -4.470387 5.541474 
1 1 1   22   21  -23 o   28.824   1.9525  118.866   15.027  119.597   20.556  118.026   22.023   28.081   2.7612   27.593   3.0209 0.4876671 4.092685 
1 1 1   22   21  -22 o   22.260   2.4152   73.004   14.208   94.993   19.271   46.815   21.031   24.919   2.9355   15.867   4.6407 9.052096 5.491232 
1 1 1   22   21  -21 o   8.3585   3.3096   8.1399   11.033 -13.8582   17.627   22.309   14.147   7.1608   3.3983   11.610   3.8709 -4.449332 5.150919 
1 1 1   22   21  -20 o   6.4368   2.9933  -7.6750   12.516   0.0000   0.0000  -7.6750   12.516  ?   ?    6.4368   2.9933 0.000000 2.993255 
1 1 1   22   21  -19 o   21.804   1.6641   66.405   9.6719   52.148   14.652   77.416   12.876   18.489   3.0574   23.308   2.0785 -4.819784 3.696975 
1 1 1   22   21  -18 o   8.3108   2.8954   9.6138   7.9322   14.548   10.106   1.6948   12.802   9.8485   3.2710   7.7393   3.3493 2.109169 4.681579 
1 1 1   22   21  -17 o   13.483   2.9297   27.591   10.306   13.907   13.877   44.420   15.390   10.062   3.7828   16.827   3.5183 -6.765176 5.166057 
1 1 1   22   21  -16 o   24.959   1.3508   85.533   9.0217   77.910   11.705   96.690   14.160   23.585   1.8629   26.191   2.0287 -2.606230 2.754275 
1 1 1   22   21  -15 o   15.699   1.9301   34.821   7.9672   44.922   11.137   24.233   11.402   17.633   2.4150   12.505   3.3340 5.127911 4.116753 
1 1 1   22   21  -14 o   21.814   1.3885   65.382   8.0927   61.308   10.752   70.707   12.292   20.899   1.9374   22.390   2.0674 -1.491062 2.833310 
1 1 1   22   21  -13 o   23.673   1.3526   76.832   8.5648   89.476   12.148   64.336   12.077   25.361   1.7950   21.328   2.1370 4.033028 2.790823 
1 1 1   22   21  -12 o   13.933   1.9845   27.513   7.2165   22.273   9.4749   34.751   11.137   12.170   2.9331   15.332   2.8079 -3.162172 4.060452 
1 1 1   22   21  -11 o   27.321   1.1143  101.395   8.1769  105.744   10.881   95.754   12.393   27.750   1.4651   26.271   1.7666 1.478563 2.295115 
1 1 1   22   21  -10 o   42.207   0.9460  241.184   10.724  250.667   15.504  232.484   14.850   42.851   1.3470   41.272   1.3396 1.579773 1.899778 
1 1 1   22   21   -9 f   22.960   1.2860   72.060   7.8988   64.421   10.803   80.833   11.578   21.486   1.8913   24.125   1.7997 -2.639690 2.610762 
1 1 1   22   21   -8 o   11.881   2.2982   20.429   7.0687   20.607   9.2537   20.180   10.953   11.728   2.9425   11.532   3.3424 0.1962061 4.453084 
1 1 1   22   21   -7 o   17.753   1.5453   43.513   7.2949   43.490   9.8715   43.540   10.828   17.534   2.1406   17.446   2.3722 0.8748627E-01 3.195244 
1 1 1   22   21   -6 o   11.604   2.5693   19.781   7.7962   24.747   9.5187   9.6612   13.588   12.916   2.8228   9.3855   3.6867 3.530015 4.643228 
1 1 1   22   21   -5 o   9.9584   2.7217   14.640   7.4874   9.3066   9.3823   23.993   12.425   8.5697   3.1305   12.500   3.5400 -3.930752 4.725620 
1 1 1   22   21   -4 o   4.9772   2.2972  -5.0523   7.1667   2.6172   10.445 -11.8758   9.8518   7.4041   3.1080   5.2425   2.5027 2.161603 3.990377 
1 1 1   22   21   -3 o   28.357   1.1313  109.174   8.6166   93.521   12.651  122.721   11.769   25.963   1.8257   29.956   1.4627 -3.993618 2.339375 
1 1 1   22   21   -2 o   21.186   1.3336   61.420   7.5496   62.023   10.455   60.764   10.913   21.105   1.8635   20.844   1.9727 0.2610664 2.713731 
1 1 1   22   21   -1 o   5.5806   2.4524  -1.2034   7.0917  -6.9306   10.462   3.6660   9.6463   6.0023   2.7721   7.3802   3.0323 -1.377866 4.108459 
1 1 1   22   21    0 f   17.300   1.5783   41.364   7.2533   39.309   9.8970   43.748   10.661   16.612   2.2781   17.520   2.3229 -0.9076004 3.253580 
1 1 1   22   21    1 o   11.568   2.3474   19.416   7.0444   26.174   9.8441   12.323   10.085   13.291   2.8436   9.4341   3.2660 3.856426 4.330485 
1 1 1   22   21    2 o   11.928   2.4392   20.717   7.5511   22.909   11.176   18.877   10.243   12.279   3.3125   11.203   3.2278 1.075594 4.625080 
1 1 1   22   21    3 o   12.355   2.2430   21.957   7.1691   30.483   9.8773   12.466   10.422   14.451   2.6422   9.5079   3.3185 4.942832 4.241892 
1 1 1   22   21    4 o   8.6256   2.6870   10.660   6.8943   11.517   9.5731   9.7371   9.9371   9.1619   3.1815   8.7708   3.2190 0.3910370 4.525892 
1 1 1   22   21    5 o   29.140   1.1364  115.307   8.8941  123.346   13.081  108.396   12.129   29.922   1.6339   28.052   1.6166 1.869743 2.298471 
1 1 1   22   21    6 o   22.924   1.3832   71.993   8.4764   63.576   10.641   86.610   14.022   21.360   1.8736   24.834   2.1226 -3.473623 2.831259 
1 1 1   22   21    7 o   12.123   2.3702   21.324   7.4408   32.193   9.6659   5.5154   11.658   14.910   2.5024   8.2317   3.3522 6.677897 4.183146 
1 1 1   22   21    8 o   17.240   1.6720   41.252   7.6445   45.450   9.8840   35.002   12.060   17.947   2.0896   15.313   3.0394 2.633413 3.688400 
1 1 1   22   21    9 f   19.449   1.5379   52.173   7.9681   67.566   10.820   33.934   11.778   22.027   1.8459   15.078   3.0137 6.949024 3.534111 
1 1 1   22   21   10 o   32.455   1.0819  142.960   9.4314  151.002   12.930  133.815   13.788   33.216   1.4492   31.140   1.6544 2.076033 2.199373 
1 1 1   22   21   11 o   26.553   1.2219   95.996   8.7143  105.181   12.276   86.664   12.373   27.588   1.6644   24.944   1.8601 2.643602 2.496063 
1 1 1   22   21   12 o   16.033   1.7444   35.893   7.3906   26.914   9.8664   47.372   11.156   13.446   2.8219   18.192   2.3371 -4.745995 3.664033 
1 1 1   22   21   13 o   36.094   0.9787  176.584   9.4883  177.237   12.800  175.788   14.137   36.024   1.3229   35.806   1.4699 0.2175789 1.977548 
1 1 1   22   21   14 o   14.491   1.9215   29.685   7.2941   34.545   9.5214   22.781   11.348   15.464   2.3678   12.143   3.3638 3.320973 4.113534 
1 1 1   22   21   15 o   15.302   2.1764   33.534   8.6930   42.349   13.235   26.844   11.529   16.776   3.0494   13.189   3.2706 3.587774 4.471643 
1 1 1   22   21   16 o   23.924   1.5126   79.044   9.6696   84.036   12.629   71.970   15.033   24.459   1.9383   22.264   2.5605 2.195036 3.211410 
1 1 1   22   21   17 o   6.3192   2.6844   1.3020   7.9427   4.1173   9.9061  -3.7660   13.291   7.4426   3.0672   7.1668   3.2382 0.2758055 4.460233 
1 1 1   22   21   18 o   18.398   1.8883   47.801   9.1987   40.675   12.449   56.371   13.652   16.409   2.9323   19.546   2.6703 -3.136992 3.965926 
1 1 1   22   21   19 o   23.258   2.1406   77.350   13.222   73.240   31.978   78.197   14.522   19.106   5.7564   23.238   2.3594 -4.131609 6.221137 
1 1 1   22   21   20 o   10.290   3.1944   16.474   9.7531   24.690   18.949   13.514   11.376   12.151   4.4473   9.6022   3.4559 2.548341 5.632215 
1 1 1   22   21   21 o   8.4328   3.5098   6.4330   13.153   17.830   32.331   4.1725   14.399   11.860   5.2233   8.3264   3.5774 3.533180 6.330968 
1 1 1   22   21   22 o   15.560   3.7294   40.483   15.383  -5.7110   31.069   55.485   17.705   9.8720   4.6314   18.309   3.7270 -8.437487 5.944811 
1 1 1   22   21   23 o   7.8243   3.4585   1.3171   14.300   50.050   29.941 -13.0853   16.277   15.030   5.5748   6.8279   3.2476 8.202345 6.451804 
1 1 1   22   21   24 o   9.3642   3.7184   12.262   13.963   9.4680   27.373   13.244   16.234   10.356   4.6661   9.7454   3.9607 0.6103544 6.120428 
1 1 1   22   21   25 o   7.8069   3.3226   4.8937   12.210   34.540   25.738  -3.7160   13.870   12.815   5.0611   7.0381   3.2291 5.776834 6.003445 
1 1 1   22   21   26 o   6.5731   3.1960 -20.0826   17.923 -12.3100   24.972 -28.3400   25.739   8.2776   3.9606   7.5422   3.7016 0.7354302 5.421153 
1 1 1   22   21   27 o   7.4479   3.5202  -8.3812   18.552   2.6040   25.775 -20.1900   26.724   9.2628   4.3034   7.9899   3.8890 1.272843 5.800345 
1 1 1   22   21   28 o   12.046   5.0897   34.730   28.307   0.0000   0.0000   34.730   28.307  ?   ?    12.046   5.0897 0.000000 5.089706 
1 1 1   22   22    0 o   50.456   1.2406  344.545   16.812  339.513   23.237  350.072   24.354   49.903   1.7337   50.648   1.7903 -0.7449150 2.492130 
1 1 1   22   22    1 o   35.554   0.9893  171.444   9.4470  176.255   13.138  166.294   13.593   35.892   1.3629   34.819   1.4535 1.073051 1.992498 
1 1 1   22   22    2 o   10.481   2.5755   16.321   7.1986   24.548   9.9514   7.2898   10.426   12.740   2.9640   8.2455   3.2323 4.494492 4.385517 
1 1 1   22   22    3 o   8.9624   2.8719   11.661   7.8255   12.623   11.436   10.815   10.732   9.5789   3.4626   9.0729   3.3429 0.5059423 4.812953 
1 1 1   22   22    4 o   27.362   1.3078  102.311   9.6116  122.599   12.895   76.945   14.418   29.776   1.6184   23.191   2.3470 6.584629 2.850899 
1 1 1   22   22    5 o   37.965   1.0093  195.609   10.292  193.113   14.827  197.930   14.299   37.502   1.4720   38.006   1.4007 -0.5042038 2.031918 
1 1 1   22   22    6 o   18.247   1.7844   46.597   8.6335   62.677   13.343   35.017   11.323   20.855   2.4275   15.312   2.8584 5.542485 3.750089 
1 1 1   22   22    7 o   9.3266   2.8706   12.882   7.8951   21.780   11.513   4.9842   10.847   11.827   3.4264   7.8618   3.2212 3.965577 4.702763 
1 1 1   22   22    8 o   12.319   2.4901   22.399   7.9563   18.744   10.548   27.223   12.118   11.034   3.3020   13.193   3.3988 -2.158815 4.738656 
1 1 1   22   22    9 o   33.216   1.1612  150.378   10.359  165.388   16.194  139.982   13.478   34.470   1.7550   31.851   1.5755 2.619448 2.358372 
1 1 1   22   22   10 o   18.807   1.6592   49.326   8.2954   52.792   11.325   45.314   12.185   19.181   2.2405   17.522   2.6739 1.659607 3.488453 
1 1 1   22   22   11 o   10.005   2.7678   15.126   7.6888   22.865   10.620   6.6005   11.146   12.117   3.2114   8.1911   3.2985 3.925603 4.603622 
1 1 1   22   22   12 o   18.900   1.6242   49.821   8.1648   57.998   11.309   40.918   11.800   20.149   2.1215   16.555   2.7503 3.594240 3.473416 
1 1 1   22   22   13 o   27.934   1.2000  106.678   9.0033  120.422   12.757   93.039   12.708   29.425   1.6204   25.717   1.8522 3.708344 2.460936 
1 1 1   22   22   14 o   11.740   2.7890   21.083   8.6643   24.145   13.207   18.768   11.480   12.165   3.7070   10.897   3.4771 1.268373 5.082545 
1 1 1   22   22   15 o   8.0463   2.9177   8.7779   8.1285   7.7661   10.190   10.548   13.478   8.1533   3.1957   9.2222   3.6560 -1.068875 4.855798 
1 1 1   22   22   16 o   6.9442   2.8975   3.2809   8.9964   4.2027   12.635   2.3331   12.813   7.9670   3.3850   7.7246   3.3468 0.2424006 4.760176 
1 1 1   22   22   17 o   7.8101   3.1353   6.5203   10.036   19.343   12.898 -13.1579   15.978   10.893   3.6959   6.7925   3.2270 4.100734 4.906436 
1 1 1   22   22   18 o   8.6059   3.6404   6.6076   14.510   18.140   22.212  -1.9767   19.163   11.014   4.5706   8.4067   3.8337 2.607613 5.965520 
1 1 1   22   22   19 o   8.0322   3.6631  -2.1785   17.499 -15.1300   28.085   6.0390   22.371   8.7716   4.1979   9.5872   4.2766 -0.8156376 5.992634 
1 1 1   22   22   20 o   14.226   3.7608   35.143   14.588   38.050   21.933   32.836   19.536   13.733   4.8129   13.048   4.5441 0.6841326 6.619125 
1 1 1   22   22   21 o   6.7149   3.1573  -8.5311   14.575 -24.6800   26.449  -1.4885   17.466   7.8853   3.8448   7.9830   3.6480 -0.9771585E-01 5.300071 
1 1 1   22   22   22 o   15.418   4.3707   45.921   18.930   60.700   27.256   32.150   26.311   16.201   5.3715   12.270   5.0208 3.930657 7.352662 
1 1 1   22   22   23 o   8.9500   3.4712   12.208   11.926  -4.2190   23.829   17.699   13.776   8.5578   4.0279   10.120   3.7759 -1.562312 5.521021 
1 1 1   22   22   24 f   12.997   5.1404   41.410   26.586   41.410   26.586   0.0000   0.0000   12.997   5.1404  ?   ?  0.000000 5.140434 
1 1 1   22   22   25 o   8.4581   3.9903  -2.4490   23.638  -2.4490   23.638   0.0000   0.0000   8.4581   3.9903  ?   ?  0.000000 3.990321 
1 1 1   22   22   26 o   8.5811   4.1195  -4.9810   27.519   0.0000   0.0000  -4.9810   27.519  ?   ?    8.5811   4.1195 0.000000 4.119538 
1 1 1   23    0  -50 o   8.4382   5.6021   2.1100   33.737   2.1100   33.737   2.1100   33.737   8.4382   5.6021   8.4382   5.6021 0.000000 0.000000 
1 1 1   23    0  -49 o   10.499   5.1918   24.469   17.595   24.469   17.595   24.469   17.595   10.499   5.1918   10.499   5.1918 0.000000 0.000000 
1 1 1   23    0  -48 o   23.346   3.3027   80.266   19.514   80.266   19.514   80.266   19.514   23.346   3.3027   23.346   3.3027 0.000000 0.000000 
1 1 1   23    0  -47 o   32.648   1.8360  146.129   15.983  146.129   15.983  146.129   15.983   32.648   1.8360   32.648   1.8360 0.000000 0.000000 
1 1 1   23    0  -46 o   33.129   3.4384  157.201   29.841  157.201   29.841  157.201   29.841   33.129   3.4384   33.129   3.4384 0.000000 0.000000 
1 1 1   23    0  -45 o   5.8546   3.8043  -0.0868   14.341  -0.0868   14.341  -0.0868   14.341   5.8546   3.8043   5.8546   3.8043 0.000000 0.000000 
1 1 1   23    0  -44 o   17.390   3.0969   45.147   13.098   45.147   13.098   45.147   13.098   17.390   3.0969   17.390   3.0969 0.000000 0.000000 
1 1 1   23    0  -43 o   8.7373   4.7574   15.591   15.801   15.591   15.801   15.591   15.801   8.7373   4.7574   8.7373   4.7574 0.000000 0.000000 
1 1 1   23    0  -42 o   4.3196   2.9813  -8.4933   11.603  -8.4933   11.603  -8.4933   11.603   4.3196   2.9813   4.3196   2.9813 0.000000 0.000000 
1 1 1   23    0  -41 o   65.670   1.5380  583.344   27.094  583.344   27.094  583.344   27.094   65.670   1.5380   65.670   1.5380 0.000000 0.000000 
1 1 1   23    0  -40 o   61.168   1.8327  507.492   30.048  507.492   30.048  507.492   30.048   61.168   1.8327   61.168   1.8327 0.000000 0.000000 
1 1 1   23    0  -39 o   31.596   1.7587  136.120   14.819  136.120   14.819  136.120   14.819   31.596   1.7587   31.596   1.7587 0.000000 0.000000 
1 1 1   23    0  -38 o   18.244   2.6392   47.913   12.145   47.913   12.145   47.913   12.145   18.244   2.6392   18.244   2.6392 0.000000 0.000000 
1 1 1   23    0  -37 o   29.315   1.7884  117.286   13.962  117.286   13.962  117.286   13.962   29.315   1.7884   29.315   1.7884 0.000000 0.000000 
1 1 1   23    0  -36 o   26.859   1.8373   98.714   13.112   98.714   13.112   98.714   13.112   26.859   1.8373   26.859   1.8373 0.000000 0.000000 
1 1 1   23    0  -35 f   5.0916   3.2836   0.0987   10.414   0.0987   10.414   0.0987   10.414   5.0916   3.2836   5.0916   3.2836 0.000000 0.000000 
1 1 1   23    0  -34 o   48.472   1.4769  317.311   19.188  317.311   19.188  317.311   19.188   48.472   1.4769   48.472   1.4769 0.000000 0.000000 
1 1 1   23    0  -33 o   36.963   2.2310  186.591   21.965  186.591   21.965  186.591   21.965   36.963   2.2310   36.963   2.2310 0.000000 0.000000 
1 1 1   23    0  -32 o   17.435   2.6179   43.770   11.444   43.770   11.444   43.770   11.444   17.435   2.6179   17.435   2.6179 0.000000 0.000000 
1 1 1   23    0  -31 o   5.3205   3.3680   1.5199   10.354   1.5199   10.354   1.5199   10.354   5.3205   3.3680   5.3205   3.3680 0.000000 0.000000 
1 1 1   23    0  -30 o   32.226   1.6334  140.895   14.055  140.895   14.055  140.895   14.055   32.226   1.6334   32.226   1.6334 0.000000 0.000000 
1 1 1   23    0  -29 o   14.357   4.3828   34.765   14.764   34.765   14.764   34.765   14.764   14.357   4.3828   14.357   4.3828 0.000000 0.000000 
1 1 1   23    0  -28 o   30.592   1.6015  126.959   13.077  126.959   13.077  126.959   13.077   30.592   1.6015   30.592   1.6015 0.000000 0.000000 
1 1 1   23    0  -27 o   53.418   1.3759  384.472   19.712  384.472   19.712  384.472   19.712   53.418   1.3759   53.418   1.3759 0.000000 0.000000 
1 1 1   23    0  -26 o   69.027   1.4059  641.455   26.040  641.455   26.040  641.455   26.040   69.027   1.4059   69.027   1.4059 0.000000 0.000000 
1 1 1   23    0  -25 o   38.075   1.4485  195.760   14.764  195.760   14.764  195.760   14.764   38.075   1.4485   38.075   1.4485 0.000000 0.000000 
1 1 1   23    0  -24 o   10.085   3.9080   18.757   10.066   18.757   10.066   18.757   10.066   10.085   3.9080   10.085   3.9080 0.000000 0.000000 
1 1 1   23    0  -23 o   26.212   1.6873   93.538   11.767   93.538   11.767   93.538   11.767   26.212   1.6873   26.212   1.6873 0.000000 0.000000 
1 1 1   23    0  -22 o   88.354   1.5311  1050.42   36.311  1050.42   36.311  1050.42   36.311   88.354   1.5311   88.354   1.5311 0.000000 0.000000 
1 1 1   23    0  -21 o   98.204   1.6242  1297.66   42.814  1297.66   42.814  1297.66   42.814   98.204   1.6242   98.204   1.6242 0.000000 0.000000 
1 1 1   23    0  -20 o   59.957   1.3357  483.826   21.485  483.826   21.485  483.826   21.485   59.957   1.3357   59.957   1.3357 0.000000 0.000000 
1 1 1   23    0  -19 o  112.945   2.5051  1719.71   75.910  1719.71   75.910  1719.71   75.910  112.945   2.5051  112.945   2.5051 0.000000 0.000000 
1 1 1   23    0  -18 o   33.321   1.6662  150.371   14.827  150.371   14.827  150.371   14.827   33.321   1.6662   33.321   1.6662 0.000000 0.000000 
1 1 1   23    0  -17 o   82.555   1.4727  916.792   32.632  916.792   32.632  916.792   32.632   82.555   1.4727   82.555   1.4727 0.000000 0.000000 
1 1 1   23    0  -16 f   18.763   2.0515   49.009   10.025   49.009   10.025   49.009   10.025   18.763   2.0515   18.763   2.0515 0.000000 0.000000 
1 1 1   23    0  -15 o   62.203   1.3335  520.600   22.255  520.600   22.255  520.600   22.255   62.203   1.3335   62.203   1.3335 0.000000 0.000000 
1 1 1   23    0  -14 o   46.064   1.3147  285.789   16.236  285.789   16.236  285.789   16.236   46.064   1.3147   46.064   1.3147 0.000000 0.000000 
1 1 1   23    0  -13 o   6.3061   3.5791   6.9690   9.3957   6.9690   9.3957   6.9690   9.3957   6.3061   3.5791   6.3061   3.5791 0.000000 0.000000 
1 1 1   23    0  -12 o   67.394   1.9158  611.978   34.615  611.978   34.615  611.978   34.615   67.394   1.9158   67.394   1.9158 0.000000 0.000000 
1 1 1   23    0  -11 o   36.794   1.1062  182.351   10.909  182.351   10.909  182.351   10.909   36.794   1.1062   36.794   1.1062 0.000000 0.000000 
1 1 1   23    0  -10 o   8.3648   2.6585   11.865   5.2580   11.865   5.2580   11.865   5.2580   8.3648   2.6585   8.3648   2.6585 0.000000 0.000000 
1 1 1   23    0   -9 o  123.017   1.5041  2034.17   49.682  2034.17   49.682  2034.17   49.682  123.017   1.5041  123.017   1.5041 0.000000 0.000000 
1 1 1   23    0   -8 o   27.306   1.5772  101.182   11.479  101.182   11.479  101.182   11.479   27.306   1.5772   27.306   1.5772 0.000000 0.000000 
1 1 1   23    0   -7 o   62.689   1.0391  528.308   17.485  528.308   17.485  528.308   17.485   62.689   1.0391   62.689   1.0391 0.000000 0.000000 
1 1 1   23    0   -6 f   32.250   1.0643  140.161   9.1961  140.161   9.1961  140.161   9.1961   32.250   1.0643   32.250   1.0643 0.000000 0.000000 
1 1 1   23    0   -5 o   12.034   2.2558   21.392   6.5411   21.392   6.5411   21.392   6.5411   12.034   2.2558   12.034   2.2558 0.000000 0.000000 
1 1 1   23    0   -4 o  172.612   1.9899  4005.60   92.228  4005.60   92.228  4005.60   92.228  172.612   1.9899  172.612   1.9899 0.000000 0.000000 
1 1 1   23    0   -3 o  109.044   1.5130  1598.38   44.295  1598.38   44.295  1598.38   44.295  109.044   1.5130  109.044   1.5130 0.000000 0.000000 
1 1 1   23    0   -2 o   81.378   1.2730  890.254   27.810  890.254   27.810  890.254   27.810   81.378   1.2730   81.378   1.2730 0.000000 0.000000 
1 1 1   23    0   -1 o   48.356   1.2658  314.750   16.415  314.750   16.415  314.750   16.415   48.356   1.2658   48.356   1.2658 0.000000 0.000000 
1 1 1   23    0    0 o   45.837   1.0994  282.697   13.518  282.697   13.518  282.697   13.518   45.837   1.0994   45.837   1.0994 0.000000 0.000000 
1 1 1   23    0    1 o   97.167   1.3976  1269.13   36.457  1269.13   36.457  1269.13   36.457   97.167   1.3976   97.167   1.3976 0.000000 0.000000 
1 1 1   23    0    2 o   91.613   1.3533  1128.22   33.284  1128.22   33.284  1128.22   33.284   91.613   1.3533   91.613   1.3533 0.000000 0.000000 
1 1 1   23    0    3 o   46.025   1.0249  284.947   12.656  284.947   12.656  284.947   12.656   46.025   1.0249   46.025   1.0249 0.000000 0.000000 
1 1 1   23    0    4 o   54.797   1.0212  403.735   15.018  403.735   15.018  403.735   15.018   54.797   1.0212   54.797   1.0212 0.000000 0.000000 
1 1 1   23    0    5 o  209.539   2.5953  5906.10  146.016  5906.10  146.016  5906.10  146.016  209.539   2.5953  209.539   2.5953 0.000000 0.000000 
1 1 1   23    0    6 f  130.414   1.5807  2286.12   55.352  2286.12   55.352  2286.12   55.352  130.414   1.5807  130.414   1.5807 0.000000 0.000000 
1 1 1   23    0    7 o   39.473   1.0419  209.724   11.029  209.724   11.029  209.724   11.029   39.473   1.0419   39.473   1.0419 0.000000 0.000000 
1 1 1   23    0    8 o   77.029   1.1343  797.560   23.457  797.560   23.457  797.560   23.457   77.029   1.1343   77.029   1.1343 0.000000 0.000000 
1 1 1   23    0    9 o   7.0459   3.3174   9.7811   7.0717   9.7811   7.0717   9.7811   7.0717   7.0459   3.3174   7.0459   3.3174 0.000000 0.000000 
1 1 1   23    0   10 o   88.020   1.2175  1041.39   28.770  1041.39   28.770  1041.39   28.770   88.020   1.2175   88.020   1.2175 0.000000 0.000000 
1 1 1   23    0   11 o   39.724   1.1226  212.490   11.956  212.490   11.956  212.490   11.956   39.724   1.1226   39.724   1.1226 0.000000 0.000000 
1 1 1   23    0   12 o   50.661   1.0163  345.173   13.817  345.173   13.817  345.173   13.817   50.661   1.0163   50.661   1.0163 0.000000 0.000000 
1 1 1   23    0   13 o   37.013   1.0782  184.506   10.698  184.506   10.698  184.506   10.698   37.013   1.0782   37.013   1.0782 0.000000 0.000000 
1 1 1   23    0   14 o   26.616   1.2234   95.776   8.7039   95.776   8.7039   95.776   8.7039   26.616   1.2234   26.616   1.2234 0.000000 0.000000 
1 1 1   23    0   15 o  110.275   1.4020  1634.85   41.510  1634.85   41.510  1634.85   41.510  110.275   1.4020  110.275   1.4020 0.000000 0.000000 
1 1 1   23    0   16 f   7.6655   3.3058   11.286   6.9968   11.286   6.9968   11.286   6.9968   7.6655   3.3058   7.6655   3.3058 0.000000 0.000000 
1 1 1   23    0   17 o   17.084   1.7140   40.403   7.6831   40.403   7.6831   40.403   7.6831   17.084   1.7140   17.084   1.7140 0.000000 0.000000 
1 1 1   23    0   18 o  112.669   1.4278  1706.84   43.192  1706.84   43.192  1706.84   43.192  112.669   1.4278  112.669   1.4278 0.000000 0.000000 
1 1 1   23    0   19 o   35.297   1.2126  168.003   11.465  168.003   11.465  168.003   11.465   35.297   1.2126   35.297   1.2126 0.000000 0.000000 
1 1 1   23    0   20 o   16.896   1.7392   39.586   7.7011   39.586   7.7011   39.586   7.7011   16.896   1.7392   16.896   1.7392 0.000000 0.000000 
1 1 1   23    0   21 o   13.600   2.2143   26.774   7.4448   26.774   7.4448   26.774   7.4448   13.600   2.2143   13.600   2.2143 0.000000 0.000000 
1 1 1   23    0   22 o   48.091   1.1597  311.323   14.960  311.323   14.960  311.323   14.960   48.091   1.1597   48.091   1.1597 0.000000 0.000000 
1 1 1   23    0   23 o   93.733   1.2804  1181.50   32.221  1181.50   32.221  1181.50   32.221   93.733   1.2804   93.733   1.2804 0.000000 0.000000 
1 1 1   23    0   24 o   97.321   1.4207  1274.12   37.118  1274.12   37.118  1274.12   37.118   97.321   1.4207   97.321   1.4207 0.000000 0.000000 
1 1 1   23    0   25 o   18.299   1.7007   46.195   8.1932   46.195   8.1932   46.195   8.1932   18.299   1.7007   18.299   1.7007 0.000000 0.000000 
1 1 1   23    0   26 o   60.657   1.0895  494.944   17.737  494.944   17.737  494.944   17.737   60.657   1.0895   60.657   1.0895 0.000000 0.000000 
1 1 1   23    0   27 o   35.536   1.1650  170.298   11.093  170.298   11.093  170.298   11.093   35.536   1.1650   35.536   1.1650 0.000000 0.000000 
1 1 1   23    0   28 o   36.615   1.2469  180.881   12.230  180.881   12.230  180.881   12.230   36.615   1.2469   36.615   1.2469 0.000000 0.000000 
1 1 1   23    0   29 o   13.731   2.4442   27.708   8.1628   27.708   8.1628   27.708   8.1628   13.731   2.4442   13.731   2.4442 0.000000 0.000000 
1 1 1   23    0   30 o   35.219   1.1710  167.352   11.049  167.352   11.049  167.352   11.049   35.219   1.1710   35.219   1.1710 0.000000 0.000000 
1 1 1   23    0   31 o   9.1103   3.9913   16.194   10.188   16.194   10.188   16.194   10.188   9.1103   3.9913   9.1103   3.9913 0.000000 0.000000 
1 1 1   23    0   32 o   5.3238   3.2497   3.3864   8.7975   3.3864   8.7975   3.3864   8.7975   5.3238   3.2497   5.3238   3.2497 0.000000 0.000000 
1 1 1   23    0   33 o   71.857   1.2578  695.408   24.258  695.408   24.258  695.408   24.258   71.857   1.2578   71.857   1.2578 0.000000 0.000000 
1 1 1   23    0   34 o   74.640   1.3812  750.810   27.668  750.810   27.668  750.810   27.668   74.640   1.3812   74.640   1.3812 0.000000 0.000000 
1 1 1   23    0   35 f   41.461   1.1589  231.831   12.883  231.831   12.883  231.831   12.883   41.461   1.1589   41.461   1.1589 0.000000 0.000000 
1 1 1   23    0   36 o   14.396   2.4875   30.421   8.7572   30.421   8.7572   30.421   8.7572   14.396   2.4875   14.396   2.4875 0.000000 0.000000 
1 1 1   23    0   37 o   95.655   1.3383  1233.11   34.370  1233.11   34.370  1233.11   34.370   95.655   1.3383   95.655   1.3383 0.000000 0.000000 
1 1 1   23    0   38 o   26.073   2.0224   93.582   13.967   93.582   13.967   93.582   13.967   26.073   2.0224   26.073   2.0224 0.000000 0.000000 
1 1 1   23    0   39 o   44.224   1.5776  264.934   18.684  264.934   18.684  264.934   18.684   44.224   1.5776   44.224   1.5776 0.000000 0.000000 
1 1 1   23    0   40 o   18.937   2.2281   50.613   10.921   50.613   10.921   50.613   10.921   18.937   2.2281   18.937   2.2281 0.000000 0.000000 
1 1 1   23    0   41 o   31.891   1.5472  138.309   13.182  138.309   13.182  138.309   13.182   31.891   1.5472   31.891   1.5472 0.000000 0.000000 
1 1 1   23    0   42 o   5.4228   3.2673   4.1698   8.6516   4.1698   8.6516   4.1698   8.6516   5.4228   3.2673   5.4228   3.2673 0.000000 0.000000 
1 1 1   23    0   43 o   49.544   1.2622  331.665   16.771  331.665   16.771  331.665   16.771   49.544   1.2622   49.544   1.2622 0.000000 0.000000 
1 1 1   23    0   44 o   9.3475   3.8110   16.822   9.4061   16.822   9.4061   16.822   9.4061   9.3475   3.8110   9.3475   3.8110 0.000000 0.000000 
1 1 1   23    0   45 o   5.6697   3.3893   4.8930   9.1637   4.8930   9.1637   4.8930   9.1637   5.6697   3.3893   5.6697   3.3893 0.000000 0.000000 
1 1 1   23    0   46 o   27.443   1.5957  102.942   11.671  102.942   11.671  102.942   11.671   27.443   1.5957   27.443   1.5957 0.000000 0.000000 
1 1 1   23    0   47 o   20.115   2.3928   57.596   12.445   57.596   12.445   57.596   12.445   20.115   2.3928   20.115   2.3928 0.000000 0.000000 
1 1 1   23    0   48 o   12.967   4.5805   31.226   14.499   31.226   14.499   31.226   14.499   12.967   4.5805   12.967   4.5805 0.000000 0.000000 
1 1 1   23    0   49 o   17.410   3.2829   46.440   13.757   46.440   13.757   46.440   13.757   17.410   3.2829   17.410   3.2829 0.000000 0.000000 
1 1 1   23    0   50 o   23.435   2.4319   78.419   14.930   78.419   14.930   78.419   14.930   23.435   2.4319   23.435   2.4319 0.000000 0.000000 
1 1 1   23    0   51 o   34.721   1.8679  166.976   17.305  166.976   17.305  166.976   17.305   34.721   1.8679   34.721   1.8679 0.000000 0.000000 
1 1 1   23    0   52 o   14.303   4.5978   38.315   15.588   38.315   15.588   38.315   15.588   14.303   4.5978   14.303   4.5978 0.000000 0.000000 
1 1 1   23    0   53 o   25.276   2.1231   91.009   14.179   91.009   14.179   91.009   14.179   25.276   2.1231   25.276   2.1231 0.000000 0.000000 
1 1 1   23    1  -49 o   14.272   4.0489   31.348   16.238   13.900   31.570   37.624   18.935   12.743   5.3791   15.499   4.3635 -2.756159 6.926364 
1 1 1   23    1  -48 o   25.241   2.1183   88.356   14.228   92.136   20.288   84.697   19.958   25.370   3.0377   24.263   3.1360 1.106663 4.366009 
1 1 1   23    1  -47 o   12.434   3.0726   22.575   10.202   26.008   13.124   17.331   16.219   13.257   3.5950   11.495   4.1277 1.762394 5.473752 
1 1 1   23    1  -46 o   5.2188   2.4412  -7.9990   8.5246 -18.0273   12.165   1.6774   11.949   5.5959   2.6997   7.8306   3.3076 -2.234650 4.269524 
1 1 1   23    1  -45 o   42.925   1.4117  249.544   16.275  264.463   23.116  234.877   22.919   44.019   1.9551   41.448   2.0588 2.571400 2.839194 
1 1 1   23    1  -44 o   15.648   2.3875   34.359   9.7168   27.232   13.445   42.153   14.059   13.636   3.6130   17.125   3.1735 -3.488628 4.808834 
1 1 1   23    1  -43 o   11.368   3.0007   18.626   9.2963   25.992   12.405   9.1899   14.040   13.349   3.4388   9.6894   3.7640 3.659511 5.098311 
1 1 1   23    1  -42 o   27.514   1.5458  102.941   11.377   95.708   18.284  107.511   14.534   26.217   2.6321   28.021   1.9431 -1.803379 3.271635 
1 1 1   23    1  -41 o   31.682   1.2751  135.642   10.850  142.133   15.408  129.257   15.282   32.287   1.7837   30.766   1.8580 1.521578 2.575610 
1 1 1   23    1  -40 o   54.532   1.2279  401.579   17.984  400.885   29.956  401.970   22.488   54.216   2.0571   54.474   1.5370 -0.2580795 2.567902 
1 1 1   23    1  -39 o   43.233   1.2009  252.262   13.945  249.893   17.721  256.113   22.601   42.962   1.5357   43.390   1.9393 -0.4273987 2.473691 
1 1 1   23    1  -38 o   24.020   1.4618   78.290   9.3862   88.773   13.291   67.861   13.257   25.484   1.9567   22.192   2.2555 3.292046 2.986019 
1 1 1   23    1  -37 o   35.116   1.1622  166.264   10.962  162.944   15.481  169.603   15.524   34.692   1.6614   35.399   1.6328 -0.7066154 2.329413 
1 1 1   23    1  -36 o   24.117   1.4019   78.791   9.0415   82.311   12.787   75.270   12.786   24.553   1.9552   23.453   2.0503 1.100018 2.833136 
1 1 1   23    1  -35 o   25.088   1.3425   85.161   9.0136   83.976   12.621   86.395   12.877   24.819   1.9080   25.173   1.9190 -0.3546562 2.706045 
1 1 1   23    1  -34 o   30.856   1.1866  128.300   9.8341  125.815   13.816  130.851   14.001   30.455   1.6958   31.062   1.6844 -0.6074524 2.390162 
1 1 1   23    1  -33 o   38.569   1.1351  200.379   11.759  198.984   15.676  202.174   17.781   38.389   1.5203   38.668   1.7120 -0.2787743 2.289618 
1 1 1   23    1  -32 o   43.111   1.3570  250.620   15.713  257.205   23.978  245.665   20.801   43.560   2.0494   42.614   1.8174 0.9461937 2.739180 
1 1 1   23    1  -31 o   20.218   1.5601   55.503   8.4068   62.265   11.926   48.825   11.852   21.331   2.1092   18.807   2.4011 2.524803 3.195958 
1 1 1   23    1  -30 o   33.375   1.1155  149.958   9.9997  152.337   14.143  147.581   14.141   33.599   1.5672   33.067   1.5921 0.5312309 2.234045 
1 1 1   23    1  -29 o   28.554   1.2050  109.785   9.2413  121.095   13.099   98.578   13.040   29.911   1.6367   26.953   1.8118 2.958544 2.441547 
1 1 1   23    1  -28 o   49.303   1.3502  327.435   17.879  337.509   25.378  317.508   25.194   49.982   1.8904   48.472   1.9351 1.510521 2.705223 
1 1 1   23    1  -27 o   37.331   1.0336  187.456   10.363  185.347   14.632  189.579   14.680   37.089   1.4689   37.511   1.4570 -0.4220543 2.068933 
1 1 1   23    1  -26 o   29.660   1.1467  118.353   9.1352  120.350   12.807  116.286   13.034   29.840   1.6039   29.323   1.6617 0.5165768 2.309471 
1 1 1   23    1  -25 o   65.964   0.9753  585.058   17.279  587.657   24.425  582.455   24.448   66.071   1.3764   65.777   1.3838 0.2938995 1.951749 
1 1 1   23    1  -24 o   41.845   0.9878  235.418   11.102  255.795   16.014  216.561   15.405   43.595   1.3677   40.109   1.4300 3.486565 1.978741 
1 1 1   23    1  -23 o   28.670   1.1386  110.545   8.7682  114.026   12.451  107.120   12.350   29.054   1.6017   28.154   1.6402 0.9003963 2.292577 
1 1 1   23    1  -22 o   98.269   1.1468  1298.61   30.269  1298.78   42.799  1298.44   42.814   98.210   1.6225   98.197   1.6233 0.1303864E-01 2.295116 
1 1 1   23    1  -21 o   59.923   0.9518  482.639   15.319  489.809   21.804  475.651   21.528   60.340   1.3454   59.461   1.3480 0.8786736 1.904484 
1 1 1   23    1  -20 o   86.459   1.0691  1004.94   24.828  1025.53   35.332  984.859   34.895   87.296   1.5069   85.546   1.5187 1.749893 2.139438 
1 1 1   23    1  -19 o   33.689   1.0217  152.555   9.2453  146.453   13.115  158.584   13.035   32.992   1.4800   34.334   1.4135 -1.342102 2.046575 
1 1 1   23    1  -18 o   29.689   1.5177  118.907   12.062  115.719   16.906  122.212   17.214   29.217   2.1698   30.033   2.1482 -0.8155289 3.053265 
1 1 1   23    1  -17 o   71.281   1.4042  683.423   26.885  663.156   37.511  704.829   38.551   70.160   1.9906   72.332   1.9843 -2.171562 2.810699 
1 1 1   23    1  -16 o   35.697   0.9906  171.262   9.4981  181.987   13.523  160.819   13.344   36.786   1.3687   34.578   1.4368 2.207977 1.984322 
1 1 1   23    1  -15 o   97.387   1.1319  1274.89   29.607  1308.62   42.373  1242.70   41.385   98.622   1.5997   96.105   1.6033 2.516449 2.264812 
1 1 1   23    1  -14 o   65.660   0.9557  579.340   16.855  568.438   23.762  590.379   23.911   65.018   1.3607   66.262   1.3435 -1.244011 1.912185 
1 1 1   23    1  -13 o   40.473   0.9363  220.115   10.178  229.808   14.760  211.327   14.054   41.343   1.3293   39.646   1.3198 1.696877 1.873180 
1 1 1   23    1  -12 o   28.286   0.9164  107.507   6.9624  104.443   8.5610  113.491   11.965   27.876   1.1434   29.008   1.5412 -1.131958 1.919035 
1 1 1   23    1  -11 o   51.908   0.7433  361.965   10.363  360.566   13.597  363.904   16.009   51.801   0.9773   52.035   1.1454 -0.2337303 1.505674 
1 1 1   23    1  -10 o   56.171   0.8431  423.902   12.720  415.918   17.909  432.030   18.069   55.628   1.1986   56.696   1.1866 -1.067730 1.686640 
1 1 1   23    1   -9 o   52.367   0.8747  368.432   12.303  338.209   18.071  394.540   16.796   50.159   1.3414   54.182   1.1541 -4.023296 1.769540 
1 1 1   23    1   -8 o  105.228   1.1007  1487.98   31.110  1494.38   46.576  1482.83   41.802  105.413   1.6450  105.018   1.4820 0.3943405 2.214138 
1 1 1   23    1   -7 o   58.333   0.7210  457.097   11.297  458.113   15.973  456.081   15.978   58.390   1.0185   58.261   1.0211 0.1296806 1.442205 
1 1 1   23    1   -6 o   78.989   0.8032  838.171   17.041  840.896   24.135  835.463   24.064   79.105   1.1359   78.849   1.1363 0.2559738 1.606678 
1 1 1   23    1   -5 o   86.925   0.8449  1015.09   19.726  1008.12   27.790  1022.16   28.006   86.612   1.1946   87.213   1.1956 -0.6005630 1.690101 
1 1 1   23    1   -4 o  177.016   1.5766  4213.00   74.959  4187.33  105.638  4239.03  106.383  176.374   2.2299  177.460   2.2319 -1.085159 3.155019 
1 1 1   23    1   -3 o   40.046   0.8863  215.440   9.5326  218.327   13.573  212.630   13.391   40.306   1.2538   39.776   1.2534 0.5292931 1.772851 
1 1 1   23    1   -2 o   60.044   0.7634  484.302   12.311  485.360   18.371  483.440   16.586   60.100   1.1381   59.984   1.0295 0.1158676 1.534631 
1 1 1   23    1   -1 o   78.537   0.8795  828.639   18.552  830.972   26.387  826.358   26.088   78.634   1.2494   78.416   1.2386 0.2181244 1.759298 
1 1 1   23    1    0 o  122.627   1.1652  2020.69   38.378  2043.38   54.639  1998.60   53.917  123.276   1.6502  121.919   1.6465 1.357758 2.331106 
1 1 1   23    1    1 o   28.087   0.8662  105.976   6.5344  106.600   8.8419  105.224   9.6994   28.165   1.1688   27.981   1.2906 0.1842880 1.741182 
1 1 1   23    1    2 o   71.436   0.8045  685.532   15.436  666.123   22.523  702.724   21.197   70.406   1.1910   72.318   1.0913 -1.912102 1.615384 
1 1 1   23    1    3 o   70.029   0.8053  658.794   15.147  654.643   22.492  662.240   20.491   69.796   1.1998   70.204   1.0867 -0.4079208 1.618756 
1 1 1   23    1    4 o  135.985   1.1537  2484.93   42.137  2511.04   59.938  2459.41   59.248  136.655   1.6330  135.243   1.6310 1.412216 2.308027 
1 1 1   23    1    5 o   43.370   0.8998  252.699   10.482  240.234   14.541  266.181   15.123   42.278   1.2805   44.503   1.2652 -2.225071 1.800157 
1 1 1   23    1    6 o   40.941   0.7326  225.157   8.0562  225.796   11.380  224.515   11.406   40.993   1.0336   40.877   1.0389 0.1166267 1.465473 
1 1 1   23    1    7 o   85.878   0.8456  990.797   19.504  996.411   27.684  985.265   27.482   86.106   1.1970   85.623   1.1950 0.4828796 1.691416 
1 1 1   23    1    8 o   27.547   0.8428  101.947   6.2357  100.530   8.8581  103.340   8.7796   27.350   1.2059   27.730   1.1788 -0.3799648 1.686314 
1 1 1   23    1    9 o   65.618   0.7577  578.416   13.355  583.599   18.907  573.255   18.865   65.901   1.0682   65.314   1.0754 0.5869675 1.515732 
1 1 1   23    1   10 o  110.591   1.0809  1643.56   32.108  1622.83   45.135  1664.81   45.684  109.854   1.5297  111.266   1.5287 -1.411774 2.162590 
1 1 1   23    1   11 o   64.019   0.7535  550.583   12.956  543.284   18.263  557.978   18.384   63.582   1.0694   64.437   1.0622 -0.8543739 1.507282 
1 1 1   23    1   12 o   31.162   0.8550  130.472   7.1567  133.544   9.6869  126.782   10.619   31.521   1.1442   30.709   1.2875 0.8117428 1.722409 
1 1 1   23    1   13 o   63.892   0.7542  548.433   12.943  539.593   18.176  557.526   18.434   63.364   1.0680   64.408   1.0656 -1.044407 1.508683 
1 1 1   23    1   14 o  101.444   0.9385  1382.85   25.570  1370.59   36.007  1395.33   36.319  100.962   1.3278  101.869   1.3274 -0.9071579 1.877516 
1 1 1   23    1   15 o   76.765   0.8082  791.761   16.664  789.839   23.510  793.701   23.623   76.654   1.1419   76.841   1.1446 -0.1870193 1.616827 
1 1 1   23    1   16 o   54.295   0.7354  396.061   10.724  390.042   15.102  402.184   15.231   53.870   1.0438   54.702   1.0366 -0.8323631 1.471078 
1 1 1   23    1   17 o   44.882   0.7391  270.648   8.9105  269.862   12.559  271.445   12.644   44.808   1.0435   44.939   1.0476 -0.1310310 1.478634 
1 1 1   23    1   18 o  101.843   1.0343  1394.17   28.291  1401.62   40.128  1386.80   39.893  102.070   1.4637  101.528   1.4629 0.5411835 2.069452 
1 1 1   23    1   19 o   29.149   0.8456  114.177   6.6202  113.063   9.3298  115.306   9.3951   28.997   1.1979   29.284   1.1945 -0.2862377 1.691692 
1 1 1   23    1   20 o   53.824   0.7436  389.256   10.751  391.215   15.180  387.286   15.227   53.946   1.0477   53.674   1.0563 0.2720337 1.487711 
1 1 1   23    1   21 o   16.212   1.2725   35.567   5.4963   39.289   7.7623   31.824   7.7836   16.993   1.7246   15.244   1.9454 1.749311 2.599747 
1 1 1   23    1   22 o   17.939   1.1673   43.458   5.5938   47.011   7.7982   39.693   8.0285   18.620   1.5740   17.073   1.7768 1.547216 2.373715 
1 1 1   23    1   23 o   19.986   1.1520   53.898   6.1577   50.181   8.6589   57.701   8.7585   19.226   1.6941   20.639   1.5923 -1.412292 2.324932 
1 1 1   23    1   24 o   89.748   0.8877  1082.72   21.399  1092.46   30.348  1073.09   30.178   90.110   1.2539   89.307   1.2581 0.8029022 1.776268 
1 1 1   23    1   25 o   59.042   0.7669  468.493   12.162  464.465   17.184  472.538   17.216   58.765   1.0887   59.274   1.0814 -0.5090981 1.534470 
1 1 1   23    1   26 o   76.747   0.8290  791.766   17.089  791.136   24.087  792.405   24.248   76.680   1.1695   76.741   1.1764 -0.6063080E-01 1.658834 
1 1 1   23    1   27 o   11.391   1.8834   17.978   5.5610   31.647   7.8477   4.1906   7.8815   15.181   1.9711   7.1826   2.8118 7.998672 3.433856 
1 1 1   23    1   28 o   28.289   0.9567  107.638   7.2690  116.387   10.819  100.439   9.8144   29.393   1.3704   27.307   1.3381 2.085888 1.915365 
1 1 1   23    1   29 o   38.421   0.8513  198.509   8.7848  181.967   13.055  212.195   11.875   36.751   1.3226   39.705   1.1135 -2.953686 1.728936 
1 1 1   23    1   30 o   37.488   0.9340  189.058   9.4044  177.214   13.480  200.290   13.127   36.258   1.3842   38.558   1.2675 -2.300125 1.876841 
1 1 1   23    1   31 o   36.450   0.8950  178.730   8.7627  179.694   12.548  177.811   12.242   36.516   1.2794   36.327   1.2547 0.1894493 1.791942 
1 1 1   23    1   32 o   45.651   0.8430  280.316   10.337  287.369   13.894  271.573   15.470   46.194   1.1198   44.887   1.2832 1.307087 1.703090 
1 1 1   23    1   33 o   31.956   0.9393  137.427   8.0626  134.828   10.625  140.956   12.380   31.628   1.2508   32.321   1.4260 -0.6930809 1.896827 
1 1 1   23    1   34 o   13.468   1.7573   24.950   6.2055   24.723   8.5075   25.208   9.0714   13.263   2.4794   13.367   2.6203 -0.1042290 3.607402 
1 1 1   23    1   35 o   57.476   0.8681  444.510   13.402  446.803   17.430  441.195   20.961   57.586   1.1269   57.180   1.3648 0.4060745 1.769922 
1 1 1   23    1   36 o   48.927   0.9369  322.254   12.313  319.913   16.831  324.949   18.059   48.697   1.2868   49.064   1.3703 -0.3669205 1.879850 
1 1 1   23    1   37 o   15.124   1.7088   31.364   6.8196   34.568   10.272   28.839   9.1192   15.712   2.5191   14.336   2.4567 1.376302 3.518692 
1 1 1   23    1   38 o   32.581   0.9892  143.000   8.6565  153.708   11.929  131.089   12.581   33.738   1.3164   31.131   1.5046 2.607235 1.999219 
1 1 1   23    1   39 o   29.523   1.2070  117.638   9.5708  106.704   12.458  133.385   14.951   28.006   1.6636   31.294   1.7861 -3.288042 2.440858 
1 1 1   23    1   40 o   58.491   0.8805  460.757   13.833  452.612   20.689  467.343   18.604   57.866   1.3311   58.841   1.1771 -0.9757347 1.776941 
1 1 1   23    1   41 o   38.713   0.8890  201.880   9.2439  193.846   12.997  210.104   13.150   37.873   1.2777   39.437   1.2415 -1.563194 1.781474 
1 1 1   23    1   42 o   41.993   0.9934  237.747   11.205  250.930   17.620  228.797   14.518   43.028   1.5246   41.135   1.3140 1.892998 2.012746 
1 1 1   23    1   43 o   27.613   1.1135  102.913   8.2585   89.635   12.037  114.721   11.352   25.617   1.7601   29.104   1.4521 -3.486750 2.281855 
1 1 1   23    1   44 o   33.328   0.9805  149.759   8.7775  145.107   12.341  154.522   12.487   32.740   1.4034   33.790   1.3759 -1.050652 1.965316 
1 1 1   23    1   45 o   38.219   0.9347  196.897   9.5947  205.658   13.621  188.270   13.517   38.993   1.3006   37.298   1.3493 1.694889 1.874089 
1 1 1   23    1   46 o   60.387   0.9179  491.615   14.888  482.845   22.216  498.764   20.059   59.699   1.3855   60.731   1.2297 -1.032471 1.852498 
1 1 1   23    1   47 o   17.478   1.8818   42.218   8.6946   32.757   12.353   51.506   12.240   14.986   3.1680   19.158   2.4335 -4.172051 3.994803 
1 1 1   23    1   48 o   21.135   1.5895   61.199   8.9569   58.733   12.348   63.938   13.013   20.490   2.2824   21.380   2.3023 -0.8908424 3.241903 
1 1 1   23    1   49 o   33.698   1.3349  154.340   12.082  147.729   15.133  165.964   20.066   32.796   1.7240   34.545   2.1737 -1.748730 2.774388 
1 1 1   23    1   50 o   21.969   1.8219   66.913   10.653   72.831   13.607   57.541   17.124   22.741   2.2575   19.641   3.3672 3.100002 4.053963 
1 1 1   23    1   51 o   8.5856   3.1146   9.5055   9.2646   9.3213   12.302   9.7470   14.082   9.0774   3.5242   9.4690   3.7423 -0.3915462 5.140476 
1 1 1   23    1   52 o   8.2219   3.2519   6.9815   10.640   1.1848   15.105   12.691   14.991   8.2845   3.6113   10.041   3.8926 -1.756951 5.309749 
1 1 1   23    1   53 o   12.332   2.6868   22.852   8.6476   24.903   11.575   20.262   13.009   12.578   3.3618   11.347   3.7085 1.230915 5.005462 
1 1 1   23    2  -49 o   23.882   5.2595   94.800   32.825   0.0000   0.0000   94.800   32.825  ?   ?    23.882   5.2595 0.000000 5.259518 
1 1 1   23    2  -48 o   16.166   3.4219   38.965   14.395   49.380   22.309   31.536   18.842   17.642   4.6444   14.289   4.4406 3.352611 6.425729 
1 1 1   23    2  -47 o   7.8230   3.2895   2.2825   11.733   21.758   17.462 -13.7441   15.841   12.415   4.2977   7.0814   3.3174 5.333565 5.429093 
1 1 1   23    2  -46 o   26.706   1.6363   97.417   11.681   79.621   14.807  126.736   19.006   23.920   2.3344   30.217   2.3605 -6.296207 3.319898 
1 1 1   23    2  -45 o   32.796   1.2883  145.544   11.349  156.838   15.937  133.925   16.165   33.892   1.7567   31.256   1.9350 2.636263 2.613477 
1 1 1   23    2  -44 o   9.8544   3.4466   12.502   11.245   42.096   16.116 -15.5714   15.697   16.938   3.6501   6.9342   3.2654 10.00359 4.897569 
1 1 1   23    2  -43 o   9.7739   3.1316   13.158   9.3047   9.6563   12.692   17.226   13.681   9.4975   3.6068   11.264   3.8065 -1.766929 5.243921 
1 1 1   23    2  -42 o   26.265   1.6966   94.115   11.905  100.456   14.609   81.581   20.539   27.051   2.0254   23.931   3.2819 3.120123 3.856553 
1 1 1   23    2  -41 o   27.598   1.5383  103.575   11.357  107.486   18.127  101.047   14.572   27.857   2.4476   27.138   2.0135 0.7184258 3.169374 
1 1 1   23    2  -40 o   22.408   1.5701   68.402   9.3897   70.814   13.210   65.939   13.349   22.650   2.1992   21.817   2.3133 0.8323650 3.191847 
1 1 1   23    2  -39 o   35.908   1.3666  174.364   13.180  163.846   22.366  179.960   16.314   34.472   2.4311   36.419   1.6678 -1.946220 2.948227 
1 1 1   23    2  -38 o   17.311   2.1247   41.456   9.6714   50.397   12.084   25.523   16.131   19.037   2.4179   13.341   4.1027 5.695951 4.762159 
1 1 1   23    2  -37 o   12.584   2.4687   22.395   8.0459   24.155   11.204   20.521   11.562   12.949   3.2317   11.981   3.4225 0.9678679 4.707196 
1 1 1   23    2  -36 o   34.047   1.1557  156.293   10.568  144.897   14.729  168.385   15.172   32.667   1.6844   35.275   1.6014 -2.608051 2.324162 
1 1 1   23    2  -35 o   38.173   1.0876  196.334   11.151  215.509   16.051  178.443   15.504   39.935   1.4964   36.325   1.5891 3.610462 2.182748 
1 1 1   23    2  -34 o   50.520   1.0203  343.689   13.844  340.863   19.420  346.609   19.741   50.244   1.4390   50.663   1.4507 -0.4194679 2.043378 
1 1 1   23    2  -33 o   36.766   1.0863  182.070   10.727  180.741   15.142  183.410   15.199   36.578   1.5412   36.848   1.5357 -0.2698212 2.175715 
1 1 1   23    2  -32 o   29.606   1.4421  118.296   11.468  111.354   13.910  133.024   20.262   28.626   1.8186   31.161   2.4403 -2.534729 3.043426 
1 1 1   23    2  -31 o   23.458   1.8290   74.901   11.433   83.978   17.075   67.524   15.393   24.683   2.6154   22.098   2.6460 2.585321 3.720434 
1 1 1   23    2  -30 o   35.303   1.0966  167.803   10.397  172.024   14.789  163.677   14.620   35.699   1.5424   34.819   1.5633 0.8793144 2.196152 
1 1 1   23    2  -29 f   35.296   1.0762  167.700   10.203  170.622   14.293  164.663   14.569   35.564   1.4963   34.931   1.5529 0.6325989 2.156469 
1 1 1   23    2  -28 f   27.569   1.2266  102.360   9.0827   94.133   12.928  110.377   12.763   26.329   1.8398   28.546   1.6719 -2.217024 2.485965 
1 1 1   23    2  -27 o   49.169   1.3445  325.683   17.756  305.685   24.689  347.111   25.556   47.556   1.9329   50.685   1.8773 -3.129272 2.694440 
1 1 1   23    2  -26 o   46.449   0.9870  290.188   12.314  298.694   17.524  281.890   17.308   47.089   1.3855   45.743   1.4087 1.346039 1.975894 
1 1 1   23    2  -25 o   96.101   1.1415  1242.60   29.463  1216.66   41.208  1269.73   42.141   95.003   1.6149   97.053   1.6166 -2.049835 2.285054 
1 1 1   23    2  -24 o   42.571   0.9905  243.697   11.325  230.134   15.873  257.763   16.164   41.340   1.4295   43.756   1.3754 -2.415569 1.983711 
1 1 1   23    2  -23 o   76.357   1.0225  784.003   20.970  791.788   29.801  776.367   29.514   76.686   1.4469   75.936   1.4471 0.7504425 2.046319 
1 1 1   23    2  -22 o   5.9400   2.5079   0.3842   6.8650  -0.9078   9.6766   1.6933   9.7408   6.7861   2.9243   7.2778   3.0240 -0.4917035 4.206671 
1 1 1   23    2  -21 o   57.827   0.9486  449.505   14.734  475.600   21.194  425.096   20.497   59.454   1.3272   56.206   1.3577 3.247711 1.898661 
1 1 1   23    2  -20 o   68.998   0.9788  639.959   18.140  652.149   25.874  628.176   25.438   69.618   1.3837   68.326   1.3861 1.291794 1.958597 
1 1 1   23    2  -19 o   60.512   0.9564  492.183   15.544  500.390   22.005  484.010   21.959   60.988   1.3434   59.980   1.3631 1.008072 1.913787 
1 1 1   23    2  -18 o   48.591   0.9312  317.331   12.153  325.975   17.377  309.055   17.002   49.229   1.3142   47.934   1.3206 1.295029 1.863083 
1 1 1   23    2  -17 o   76.114   1.1570  778.931   23.654  779.439   40.915  778.676   28.990   76.049   2.0031   76.079   1.4187 -0.2963257E-01 2.454582 
1 1 1   23    2  -16 f   30.062   1.5234  121.913   12.260  128.099   17.664  116.162   17.030   30.750   2.1523   29.271   2.1818 1.478666 3.064721 
1 1 1   23    2  -15 o   35.679   1.1570  171.145   11.087  167.638   13.611  178.062   19.116   35.301   1.4355   36.303   1.9678 -1.001362 2.435772 
1 1 1   23    2  -14 o   43.019   0.9246  248.699   10.683  256.402   15.223  241.224   14.995   43.666   1.2979   42.353   1.3182 1.313072 1.849941 
1 1 1   23    2  -13 o   54.582   0.9308  400.351   13.645  402.045   19.392  398.690   19.204   54.679   1.3204   54.451   1.3131 0.2282104 1.862154 
1 1 1   23    2  -12 o  113.054   1.0459  1717.82   31.759  1694.98   42.586  1746.43   47.669  112.264   1.4123  113.938   1.5577 -1.673462 2.102638 
1 1 1   23    2  -11 o   73.573   0.7709  727.245   15.235  703.943   21.282  751.733   21.817   72.370   1.0949   74.787   1.0861 -2.416725 1.542235 
1 1 1   23    2  -10 o   19.742   0.9185   52.373   4.8703   47.659   6.6262   57.912   7.1827   18.781   1.3220   20.714   1.2976 -1.932871 1.852387 
1 1 1   23    2   -9 o   28.952   0.8091  112.614   6.2918  117.345   8.4506  106.730   9.4249   29.549   1.0648   28.177   1.2453 1.371861 1.638463 
1 1 1   23    2   -8 o   37.521   0.7945  189.134   8.0063  191.964   10.299  184.811   12.728   37.796   1.0145   37.078   1.2781 0.7177048 1.631785 
1 1 1   23    2   -7 o   55.270   0.7730  410.394   11.476  410.212   17.776  410.525   15.026   55.244   1.1980   55.272   1.0122 -0.2780914E-01 1.568324 
1 1 1   23    2   -6 o  107.853   1.1815  1563.43   34.227  1556.45   55.358  1567.75   43.548  107.542   1.9165  107.975   1.5016 -0.4338150 2.434703 
1 1 1   23    2   -5 o   59.824   0.7980  480.798   12.822  477.116   20.364  483.217   16.504   59.578   1.2726   59.967   1.0247 -0.3893623 1.633831 
1 1 1   23    2   -4 o   39.236   0.9113  206.841   9.6037  211.923   13.511  201.650   13.653   39.707   1.2669   38.731   1.3125 0.9756470 1.824140 
1 1 1   23    2   -3 o   45.583   0.7141  279.123   8.7435  272.810   12.406  285.354   12.324   45.058   1.0251   46.083   0.9957 -1.025017 1.429093 
1 1 1   23    2   -2 o   70.792   0.7693  673.239   14.628  679.384   20.840  667.272   20.537   71.103   1.0912   70.467   1.0851 0.6364365 1.538897 
1 1 1   23    2   -1 o   68.333   0.7613  627.269   13.973  632.846   19.891  621.836   19.634   68.625   1.0792   68.026   1.0746 0.5994186 1.522940 
1 1 1   23    2    0 o   27.023   0.8350   98.107   6.0607   99.884   8.6627   96.404   8.4824   27.262   1.1831   26.783   1.1792 0.4789867 1.670339 
1 1 1   23    2    1 o   56.447   0.7627  428.032   11.563  427.956   15.738  428.122   17.046   56.434   1.0383   56.443   1.1244 -0.8159637E-02 1.530456 
1 1 1   23    2    2 o   49.861   0.7176  333.965   9.6103  332.268   13.587  335.663   13.596   49.727   1.0172   49.981   1.0128 -0.2535362 1.435427 
1 1 1   23    2    3 o   28.815   0.8394  111.550   6.4966  122.121   9.5691  102.512   8.8483   30.144   1.1819   27.618   1.1928 2.526251 1.679201 
1 1 1   23    2    4 o   52.294   0.8000  367.382   11.237  373.950   16.077  361.110   15.712   52.750   1.1348   51.837   1.1285 0.9133339 1.600374 
1 1 1   23    2    5 o   90.744   0.8713  1106.34   21.236  1106.92   30.083  1105.76   29.981   90.749   1.2342   90.702   1.2307 0.4718781E-01 1.742940 
1 1 1   23    2    6 o   64.679   0.7519  561.997   13.063  568.481   18.573  555.649   18.376   65.041   1.0632   64.302   1.0640 0.7383194 1.504134 
1 1 1   23    2    7 o   94.682   0.8953  1204.49   22.768  1197.83   32.158  1211.18   32.240   94.397   1.2684   94.922   1.2646 -0.5247726 1.791053 
1 1 1   23    2    8 o   76.056   0.8010  777.137   16.364  764.275   23.002  790.314   23.283   75.409   1.1357   76.683   1.1305 -1.274147 1.602408 
1 1 1   23    2    9 o   70.484   0.8441  667.491   15.980  664.600   22.617  670.372   22.581   70.316   1.1975   70.621   1.1905 -0.3050232 1.688602 
1 1 1   23    2   10 o   76.843   0.8411  793.374   17.359  798.578   23.697  787.348   25.501   77.080   1.1446   76.530   1.2406 0.5496826 1.687991 
1 1 1   23    2   11 o  130.601   1.1215  2292.60   39.339  2326.45   56.093  2259.85   55.185  131.504   1.5881  129.609   1.5852 1.895599 2.243896 
1 1 1   23    2   12 o   14.366   1.3600   28.002   5.1853   18.916   7.2836   37.339   7.3838   11.631   2.4107   16.573   1.6821 -4.941814 2.939543 
1 1 1   23    2   13 o  142.814   1.2050  2742.04   46.221  2724.72   65.132  2759.62   65.604  142.285   1.7043  143.193   1.7058 -0.9080353 2.411263 
1 1 1   23    2   14 o   69.474   0.7787  648.495   14.531  654.217   20.560  642.784   20.540   69.763   1.0973   69.150   1.1059 0.6127853 1.557894 
1 1 1   23    2   15 o   68.210   0.7749  625.123   14.197  624.184   20.037  626.070   20.117   68.142   1.0948   68.244   1.0975 -0.1026993 1.550187 
1 1 1   23    2   16 f   15.699   1.3044   33.373   5.4501   35.592   7.5441   30.950   7.8823   16.163   1.7666   15.024   2.0032 1.138524 2.670890 
1 1 1   23    2   17 o   46.592   0.7444  291.678   9.3152  289.922   13.091  293.478   13.258   46.441   1.0495   46.724   1.0565 -0.2836761 1.489131 
1 1 1   23    2   18 o   91.651   0.9730  1129.04   23.952  1098.56   33.425  1161.21   34.339   90.366   1.3771   92.907   1.3761 -2.541199 1.946832 
1 1 1   23    2   19 o   22.305   0.9919   66.874   5.9426   66.272   8.3933   67.480   8.4148   22.148   1.4184   22.350   1.4089 -0.2026558 1.999252 
1 1 1   23    2   20 o   85.884   0.8615  991.327   19.874  997.954   28.159  984.749   28.053   86.139   1.2171   85.567   1.2206 0.5721512 1.723738 
1 1 1   23    2   21 o   29.921   0.8715  120.327   7.0037  127.584   9.8551  112.923   9.9551   30.799   1.1913   28.972   1.2793 1.827024 1.748108 
1 1 1   23    2   22 o   42.448   0.8147  242.163   9.2889  246.805   13.090  237.455   13.184   42.838   1.1377   42.017   1.1682 0.8209000 1.630647 
1 1 1   23    2   23 o   49.264   0.7972  326.188   10.549  334.917   15.775  319.127   14.188   49.896   1.1771   48.712   1.0844 1.184135 1.600435 
1 1 1   23    2   24 o   31.069   0.9025  129.769   7.5310  126.591   11.137  132.446   10.222   30.665   1.3522   31.374   1.2131 -0.7084999 1.816595 
1 1 1   23    2   25 o   67.566   0.8361  613.706   15.174  591.327   22.330  632.906   20.683   66.281   1.2543   68.587   1.1227 -2.306091 1.683421 
1 1 1   23    2   26 o   24.837   1.0011   82.977   6.6782   86.750   9.5608   79.382   9.3321   25.337   1.4105   24.230   1.4404 1.106674 2.016017 
1 1 1   23    2   27 o   25.757   0.9728   89.238   6.7299   93.602   9.5973   85.016   9.4397   26.323   1.3621   25.078   1.4071 1.244932 1.958368 
1 1 1   23    2   28 f   22.089   1.0644   65.667   6.3151   68.631   8.8033   62.524   9.0643   22.514   1.4638   21.469   1.5831 1.044870 2.156085 
1 1 1   23    2   29 f   20.737   1.2781   58.161   7.0842   61.401   9.8091   54.628   10.242   21.249   1.7339   20.003   1.9303 1.245760 2.594674 
1 1 1   23    2   30 o   14.018   1.5878   26.867   5.8726   33.148   8.1442   20.063   8.4759   15.519   2.0004   11.898   2.7126 3.621405 3.370416 
1 1 1   23    2   31 o   9.7062   2.3462   13.317   6.0488   0.2229   8.6462   25.869   8.4652   6.5796   2.7980   13.595   2.4063 -7.015640 3.690386 
1 1 1   23    2   32 o   16.719   1.5554   38.074   6.9042   34.399   8.5430   44.992   11.723   15.795   2.0630   18.008   2.4903 -2.213372 3.233778 
1 1 1   23    2   33 o   43.079   0.9742  249.816   11.272  250.436   13.871  248.610   19.344   43.107   1.1980   42.875   1.6798 0.2310677 2.063216 
1 1 1   23    2   34 o   59.529   0.8572  476.815   13.706  483.919   18.233  467.585   20.784   59.928   1.1328   58.873   1.3144 1.054180 1.735145 
1 1 1   23    2   35 o   45.277   0.8751  275.888   10.642  277.664   14.110  273.546   16.208   45.386   1.1575   45.020   1.3404 0.3662682 1.770957 
1 1 1   23    2   36 o   47.516   0.8982  303.938   11.463  303.413   14.840  304.715   18.050   47.436   1.1647   47.493   1.4150 -0.5627060E-01 1.832698 
1 1 1   23    2   37 o   26.889   1.0508   97.441   7.5889  102.265   10.400   91.946   11.099   27.472   1.4143   26.012   1.5963 1.459372 2.132669 
1 1 1   23    2   38 o   26.054   1.0478   91.511   7.3325   92.461   10.129   90.464   10.629   26.104   1.4503   25.803   1.5407 0.3012791 2.115900 
1 1 1   23    2   39 o   34.690   1.0340  162.257   9.6346  173.937   13.430  149.873   13.830   35.859   1.3944   33.259   1.5482 2.600605 2.083533 
1 1 1   23    2   40 o   47.750   0.8886  307.151   11.397  316.628   16.934  299.302   15.410   48.396   1.3027   47.073   1.2188 1.323460 1.783980 
1 1 1   23    2   41 o   48.652   0.8971  318.919   11.723  328.495   17.738  311.493   15.620   49.279   1.3401   48.019   1.2111 1.260525 1.806316 
1 1 1   23    2   42 o   54.253   0.8545  396.473   12.451  401.095   17.595  391.838   17.622   54.488   1.2022   53.852   1.2183 0.6366959 1.711639 
1 1 1   23    2   43 o   4.9537   2.2682  -4.5178   6.7971  -0.5020   10.139  -7.7961   9.1606   6.9238   2.9885   5.5091   2.5615 1.414660 3.936017 
1 1 1   23    2   44 o   24.204   1.3673   79.554   8.8525   83.661   14.387   77.052   11.230   24.613   2.1994   23.730   1.7748 0.8838444 2.826205 
1 1 1   23    2   45 o   32.389   1.0318  141.564   8.9761  152.026   13.011  132.061   12.400   33.486   1.4466   31.203   1.4795 2.282846 2.069196 
1 1 1   23    2   46 o   34.142   1.1325  157.555   10.385  162.478   14.618  152.539   14.757   34.569   1.5744   33.477   1.6412 1.091740 2.274268 
1 1 1   23    2   47 o   22.378   1.4928   68.388   8.9210   83.432   12.385   52.166   12.861   24.610   1.8881   19.208   2.5563 5.402275 3.177983 
1 1 1   23    2   48 o   32.167   1.3513  140.619   11.675  135.582   14.792  148.941   19.014   31.410   1.7605   32.733   2.1751 -1.323254 2.798242 
1 1 1   23    2   49 o   14.161   2.3957   28.767   8.7870   32.606   12.036   24.385   12.858   14.807   3.1246   12.665   3.6064 2.142171 4.771686 
1 1 1   23    2   50 o   26.462   1.6366   96.568   11.575   92.598   13.826  105.870   21.163   25.737   2.0162   26.934   2.9750 -1.197329 3.593875 
1 1 1   23    2   51 o   17.310   2.1915   42.722   9.9607   43.681   12.997   41.357   15.506   17.136   2.9290   16.256   3.6418 0.8809643 4.673487 
1 1 1   23    2   52 o   9.2879   3.1310   12.569   9.2559   10.342   12.332   15.443   14.008   9.1511   3.5352   10.372   3.8196 -1.221307 5.204469 
1 1 1   23    3  -48 o   29.731   2.6653  125.786   21.058   0.0000   0.0000  125.786   21.058  ?   ?    29.731   2.6653 0.000000 2.665350 
1 1 1   23    3  -47 o   38.506   1.6228  202.492   16.784  181.643   23.359  224.743   24.132   36.029   2.4280   40.207   2.2436 -4.178059 3.305893 
1 1 1   23    3  -46 o   21.874   2.2615   66.728   13.095   75.766   17.875   56.259   19.237   23.037   2.9573   19.417   3.8247 3.619364 4.834684 
1 1 1   23    3  -45 o   16.494   2.1617   37.974   9.3460   37.712   12.939   38.259   13.515   16.137   3.0978   16.215   3.2166 -0.7798195E-01 4.465801 
1 1 1   23    3  -44 o   18.563   1.9302   47.544   9.4827   35.928   13.292   59.584   13.532   15.718   3.2556   20.635   2.4920 -4.916705 4.099860 
1 1 1   23    3  -43 o   14.143   3.1432   29.021   11.630   33.107   16.850   25.303   16.073   14.915   4.0856   13.199   4.1012 1.715911 5.788992 
1 1 1   23    3  -42 o   21.209   1.7091   61.534   9.6534   53.928   13.747   68.932   13.559   19.577   2.6851   22.298   2.2967 -2.720762 3.533409 
1 1 1   23    3  -41 o   35.629   1.3940  171.871   13.340  177.903   17.317  163.064   20.923   36.156   1.7832   34.402   2.2772 1.753544 2.892300 
1 1 1   23    3  -40 o   42.510   1.2297  244.197   14.041  234.963   21.949  250.592   18.267   41.499   1.9692   42.976   1.5825 -1.477524 2.526261 
1 1 1   23    3  -39 o   19.652   1.7732   52.926   9.2589   49.412   12.721   56.885   13.503   18.770   2.5924   20.175   2.5487 -1.404922 3.635413 
1 1 1   23    3  -38 o   18.280   2.1948   46.306   10.560   50.194   17.585   44.113   13.207   18.587   3.6527   17.641   2.8873 0.9462318 4.656102 
1 1 1   23    3  -37 o   22.883   1.6596   71.365   10.131   66.117   12.996   79.494   16.174   21.887   2.2425   23.929   2.5561 -2.042343 3.400310 
1 1 1   23    3  -36 o   22.494   1.5041   68.751   9.0348   69.314   12.619   68.160   12.941   22.460   2.1168   22.252   2.1938 0.2078934 3.048570 
1 1 1   23    3  -35 o   30.366   1.2250  124.393   9.9910  145.456   14.095  103.125   14.164   32.783   1.6008   27.491   1.9305 5.292780 2.507825 
1 1 1   23    3  -34 o   17.269   1.7680   40.816   8.0851   48.631   11.373   32.830   11.496   18.754   2.3064   15.212   2.9198 3.541300 3.720871 
1 1 1   23    3  -33 o   18.013   1.7563   44.343   8.3892   47.335   11.783   41.267   11.947   18.476   2.4336   17.173   2.6774 1.303263 3.618099 
1 1 1   23    3  -32 o   15.510   1.9700   33.133   8.0216   31.340   11.177   35.037   11.519   14.875   2.9018   15.768   2.8236 -0.8925962 4.048841 
1 1 1   23    3  -31 o   57.852   1.0877  450.763   16.902  451.277   22.415  450.086   25.731   57.821   1.4433   57.698   1.6604 0.1235809 2.200034 
1 1 1   23    3  -30 o   10.864   3.2148   16.497   10.040   1.5759   14.543   30.086   13.878   8.6532   3.6517   14.473   3.5881 -5.819427 5.119462 
1 1 1   23    3  -29 o   8.1238   2.7491   8.4039   7.1358   12.193   10.169   4.7280   10.016   9.7206   3.2817   7.9304   3.1492 1.790294 4.548318 
1 1 1   23    3  -28 o   60.456   0.9843  491.842   15.983  498.209   22.563  485.430   22.644   60.787   1.3820   59.998   1.4052 0.7886581 1.970888 
1 1 1   23    3  -27 o   32.409   1.1427  141.419   9.9474  131.854   13.841  151.637   14.306   31.207   1.6573   33.520   1.5890 -2.312994 2.295949 
1 1 1   23    3  -26 o   53.407   1.3585  384.336   19.487  408.175   28.405  363.140   26.784   54.947   1.9247   51.827   1.9241 3.119621 2.721519 
1 1 1   23    3  -25 o   32.719   1.2023  144.111   10.565  166.381   17.084  130.317   13.445   35.055   1.8207   31.042   1.6182 4.013494 2.435863 
1 1 1   23    3  -24 o   71.321   1.0114  684.177   19.374  685.020   27.430  683.337   27.369   71.309   1.4322   71.221   1.4308 0.8740997E-01 2.024378 
1 1 1   23    3  -23 o  102.299   1.1817  1408.17   32.469  1402.23   45.681  1414.24   46.158  101.984   1.6677  102.418   1.6779 -0.4333267 2.365724 
1 1 1   23    3  -22 o   38.595   1.0164  200.315   10.537  193.357   14.605  207.867   15.216   37.894   1.4350   39.290   1.4419 -1.395527 2.034269 
1 1 1   23    3  -21 o   49.741   0.9517  332.630   12.715  331.711   18.083  333.528   17.883   49.644   1.3562   49.781   1.3374 -0.1372681 1.904725 
1 1 1   23    3  -20 o   16.362   1.6729   36.441   7.2485   41.013   10.429   32.167   10.082   17.274   2.3055   15.217   2.5573 2.056132 3.443090 
1 1 1   23    3  -19 o   85.088   1.0622  973.487   24.275  993.611   34.715  954.232   33.958   85.911   1.5045   84.192   1.5017 1.719284 2.125672 
1 1 1   23    3  -18 o   56.198   0.9374  424.523   14.149  409.426   19.837  440.158   20.188   55.164   1.3388   57.199   1.3140 -2.034782 1.875936 
1 1 1   23    3  -17 o   27.913   1.1153  104.762   8.3616   99.924   11.689  109.830   11.966   27.196   1.6074   28.521   1.5680 -1.324553 2.245568 
1 1 1   23    3  -16 o   56.617   1.0780  430.953   16.393  422.713   28.468  435.041   20.052   56.010   1.8923   56.870   1.3127 -0.8602715 2.303085 
1 1 1   23    3  -15 o   45.565   1.0789  279.115   13.204  308.346   23.552  265.716   15.945   47.844   1.8328   44.445   1.3357 3.398643 2.267857 
1 1 1   23    3  -14 o  108.798   1.4036  1592.40   41.017  1549.75   49.492  1685.94   73.298  107.285   1.7175  111.753   2.4420 -4.467529 2.985478 
1 1 1   23    3  -13 o   60.456   0.9815  491.236   15.937  499.665   18.719  469.029   30.382   60.963   1.1432   59.006   1.9171 1.957638 2.232031 
1 1 1   23    3  -12 o   35.442   0.6869  168.762   6.5393  168.560   9.2335  168.964   9.2625   35.414   0.9707   35.457   0.9726 -0.4231644E-01 1.374139 
1 1 1   23    3  -11 o   46.409   0.6851  289.355   8.5394  282.488   12.011  296.374   12.143   45.846   0.9754   46.960   0.9628 -1.113705 1.370499 
1 1 1   23    3  -10 o   75.199   0.7858  759.794   15.872  763.110   22.469  756.493   22.424   75.346   1.1103   75.018   1.1129 0.3275528 1.572034 
1 1 1   23    3   -9 o  113.498   1.1674  1731.73   35.587  1729.06   47.674  1735.10   53.480  113.365   1.5657  113.537   1.7537 -0.1717529 2.350960 
1 1 1   23    3   -8 o   69.484   0.8685  648.743   16.209  641.064   21.775  658.288   24.276   69.057   1.1740   69.971   1.2917 -0.9142838 1.745494 
1 1 1   23    3   -7 f   45.378   0.7851  276.655   9.5685  272.250   12.971  281.915   14.172   45.007   1.0730   45.796   1.1522 -0.7891273 1.574454 
1 1 1   23    3   -6 o   48.894   0.7289  321.167   9.5717  325.272   13.133  316.517   13.979   49.198   0.9939   48.529   1.0725 0.6692581 1.462191 
1 1 1   23    3   -5 o   46.208   0.7453  286.854   9.2495  293.723   13.924  281.429   12.374   46.748   1.1090   45.762   1.0067 0.9855080 1.497765 
1 1 1   23    3   -4 o   58.482   0.7973  459.507   12.523  452.956   17.764  465.980   17.658   58.051   1.1393   58.881   1.1165 -0.8297119 1.595205 
1 1 1   23    3   -3 o   88.265   0.9327  1046.84   22.111  1071.71   35.183  1030.62   28.426   89.270   1.4674   87.561   1.2087 1.708473 1.901077 
1 1 1   23    3   -2 o   39.131   0.7832  205.718   8.2318  206.121   12.713  205.427   10.802   39.159   1.2088   39.098   1.0286 0.6101608E-01 1.587183 
1 1 1   23    3   -1 o  149.004   1.3603  2985.16   54.442  3047.84   86.973  2944.77   69.811  150.428   2.1526  147.935   1.7570 2.493073 2.778596 
1 1 1   23    3    0 o   82.730   0.8610  919.584   19.132  917.873   28.266  921.031   25.990   82.630   1.2736   82.779   1.1689 -0.1486740 1.728704 
1 1 1   23    3    1 o   55.222   0.7879  409.697   11.686  398.900   18.145  417.352   15.277   54.474   1.2401   55.728   1.0206 -1.254448 1.606127 
1 1 1   23    3    2 o  124.046   1.1241  2068.12   37.453  2090.77   51.048  2041.71   55.119  124.681   1.5244  123.192   1.6658 1.489052 2.258002 
1 1 1   23    3    3 o   11.131   1.9979   17.188   5.7536   18.262   8.2829   16.187   7.9983   11.407   2.7382   10.749   2.7570 0.6573400 3.885706 
1 1 1   23    3    4 o   58.806   0.8055  464.616   12.723  470.100   17.868  458.978   18.120   59.140   1.1249   58.435   1.1545 0.7050934 1.611857 
1 1 1   23    3    5 o   74.026   0.7889  736.235   15.685  730.837   22.113  741.701   22.252   73.739   1.1165   74.285   1.1153 -0.5461121 1.578114 
1 1 1   23    3    6 o   84.956   0.8434  969.742   19.245  957.051   27.040  982.768   27.396   84.377   1.1931   85.504   1.1929 -1.126175 1.687194 
1 1 1   23    3    7 f   35.310   0.7704  167.507   7.3062  162.263   10.349  172.717   10.316   34.745   1.1090   35.848   1.0714 -1.102760 1.541985 
1 1 1   23    3    8 o   40.864   0.7728  224.357   8.4819  236.267   12.605  214.501   11.466   41.925   1.1194   39.949   1.0686 1.976307 1.547552 
1 1 1   23    3    9 o  113.718   1.1044  1738.24   33.732  1741.27   47.814  1735.24   47.594  113.765   1.5648  113.568   1.5603 0.1966400 2.209767 
1 1 1   23    3   10 o   37.666   0.7549  190.616   7.6376  189.894   10.817  191.334   10.785   37.587   1.0715   37.729   1.0643 -0.1424522 1.510234 
1 1 1   23    3   11 o   63.368   0.7585  539.512   12.911  542.653   18.299  536.400   18.218   63.538   1.0723   63.171   1.0737 0.3671913 1.517437 
1 1 1   23    3   12 o   10.651   1.8388   15.712   5.0703   10.661   7.0912   20.995   7.2525   8.8794   2.7184   12.282   2.2825 -3.402969 3.549572 
1 1 1   23    3   13 o   46.460   0.7389  290.016   9.2212  295.934   13.056  284.126   13.025   46.921   1.0360   45.975   1.0548 0.9463921 1.478477 
1 1 1   23    3   14 o   40.866   0.7503  224.394   8.2355  218.711   11.568  230.232   11.727   40.336   1.0678   41.385   1.0550 -1.049236 1.501064 
1 1 1   23    3   15 o   71.715   0.7923  691.089   15.261  695.176   21.595  687.012   21.569   71.907   1.1181   71.483   1.1234 0.4238739 1.585002 
1 1 1   23    3   16 o   21.016   1.0974   59.543   6.1732   58.445   8.9001   60.561   8.5696   20.774   1.6076   21.159   1.5180 -0.3841724 2.211029 
1 1 1   23    3   17 o   52.986   0.8688  377.316   12.364  400.670   18.822  359.588   16.399   54.577   1.2840   51.710   1.1807 2.867245 1.744321 
1 1 1   23    3   18 o   54.595   0.7858  400.538   11.523  396.075   17.032  404.305   15.649   54.269   1.1685   54.837   1.0625 -0.5675201 1.579302 
1 1 1   23    3   19 o   88.784   0.9164  1059.56   21.852  1069.09   32.579  1051.77   29.464   89.134   1.3608   88.424   1.2406 0.7101288 1.841420 
1 1 1   23    3   20 o  108.330   1.0816  1578.12   31.470  1636.23   50.459  1541.13   40.259  110.198   1.7048  107.005   1.4008 3.193161 2.206468 
1 1 1   23    3   21 o   75.263   0.8531  761.384   17.245  761.383   25.449  761.385   23.450   75.224   1.2596   75.235   1.1605 -0.1100922E-01 1.712674 
1 1 1   23    3   22 o   15.851   1.4150   34.096   5.9607   32.675   8.5029   35.468   8.3583   15.413   2.1092   16.092   1.9753 -0.6784992 2.889784 
1 1 1   23    3   23 o   32.938   0.8561  145.852   7.5739  145.268   10.875  146.402   10.554   32.854   1.2324   32.985   1.1913 -0.1303329 1.714074 
1 1 1   23    3   24 o   71.960   0.8114  696.122   15.682  694.591   22.093  697.678   22.263   71.846   1.1449   72.004   1.1512 -0.1586685 1.623558 
1 1 1   23    3   25 o   21.732   1.0532   63.541   6.1477   60.978   8.4240   66.462   8.9921   21.218   1.4876   22.152   1.5205 -0.9337959 2.127172 
1 1 1   23    3   26 o   32.397   0.8592  141.139   7.4764  142.545   10.435  139.656   10.717   32.538   1.1940   32.203   1.2390 0.3345337 1.720737 
1 1 1   23    3   27 o   25.747   0.9770   89.194   6.7564   92.175   9.3563   85.945   9.7669   26.119   1.3382   25.205   1.4488 0.9139538 1.972261 
1 1 1   23    3   28 o   22.491   1.0603   68.092   6.4049   64.092   8.6701   72.898   9.5030   21.745   1.4936   23.191   1.5343 -1.446617 2.141192 
1 1 1   23    3   29 o   27.293   1.1290  100.322   8.2761   98.461   10.575  103.262   13.294   26.973   1.4652   27.572   1.8051 -0.5983925 2.324913 
1 1 1   23    3   30 o   22.464   1.1440   68.154   6.8794   69.500   8.9190   66.176   10.809   22.644   1.4745   22.035   1.8433 0.6086025 2.360458 
1 1 1   23    3   31 o   93.631   0.9261  1179.80   23.290  1170.19   32.574  1189.85   33.311   93.153   1.3019   93.927   1.3204 -0.7740402 1.854298 
1 1 1   23    3   32 o   45.828   0.9040  282.638   11.127  288.574   14.544  274.257   17.281   46.274   1.1701   45.074   1.4274 1.200790 1.845767 
1 1 1   23    3   33 o   6.3088   2.6021   1.7028   7.1374   4.5732   8.9382  -3.3482   11.857   7.5640   2.9840   7.1167   3.1473 0.4472947 4.337041 
1 1 1   23    3   34 o   39.769   0.9196  212.911   9.8225  205.814   13.078  222.097   14.878   39.062   1.2465   40.560   1.3657 -1.497929 1.849047 
1 1 1   23    3   35 o   45.610   0.9003  280.054   11.029  289.515   14.260  265.969   17.400   46.339   1.1457   44.359   1.4604 1.979176 1.856172 
1 1 1   23    3   36 o   18.323   1.4364   45.661   7.0122   41.856   9.0260   51.455   11.137   17.440   1.9609   19.307   2.1862 -1.867233 2.936773 
1 1 1   23    3   37 o   39.249   0.8844  207.450   9.3237  202.472   12.589  213.499   13.876   38.729   1.2102   39.754   1.2996 -1.024963 1.775819 
1 1 1   23    3   38 o   17.982   1.6399   44.217   7.8331   36.877   10.374   53.951   11.947   16.217   2.4589   19.722   2.2984 -3.505577 3.365819 
1 1 1   23    3   39 o   33.268   0.9494  149.164   8.4837  160.495   11.814  137.100   12.191   34.458   1.2765   31.823   1.4263 2.635822 1.914039 
1 1 1   23    3   40 o   4.3698   2.0802  -8.4220   6.7051 -15.5077   9.9094  -2.4380   9.1065   5.0027   2.4192   6.2431   2.7597 -1.240345 3.669916 
1 1 1   23    3   41 o   62.838   1.0309  532.659   17.400  554.588   29.275  520.679   21.637   63.872   1.7064   62.047   1.2983 1.825218 2.144186 
1 1 1   23    3   42 o   24.620   1.3439   82.266   8.8531   68.682   14.291   90.727   11.278   22.215   2.4350   25.796   1.6362 -3.581144 2.933662 
1 1 1   23    3   43 o   33.666   0.9971  152.866   9.0160  151.033   12.591  154.795   12.916   33.393   1.4039   33.802   1.4226 -0.4095650 1.998668 
1 1 1   23    3   44 o   42.837   0.9053  247.365   10.416  250.816   14.552  243.739   14.917   43.060   1.2582   42.436   1.3087 0.6243668 1.815450 
1 1 1   23    3   45 o   29.297   1.4644  116.501   11.523  107.268   15.789  127.024   16.855   27.874   2.1250   30.362   2.0794 -2.488089 2.973140 
1 1 1   23    3   46 o   37.590   1.1588  191.186   11.700  199.887   15.125  178.223   18.461   38.350   1.4684   36.014   1.9154 2.335300 2.413467 
1 1 1   23    3   47 o   23.254   1.4609   73.893   9.0780   78.112   12.794   69.615   12.883   23.727   2.0271   22.335   2.1751 1.391623 2.973222 
1 1 1   23    3   48 o   5.4495   2.5251  -6.6088   8.7863  -1.4297   11.507 -13.8498   13.606   7.1073   3.1236   6.3460   3.0041 0.7613206 4.333728 
1 1 1   23    3   49 o   10.255   2.9718   15.587   8.6596   16.188   12.027   14.940   12.478   10.567   3.5690   10.316   3.6295 0.2502432 5.090256 
1 1 1   23    3   50 o   7.3805   2.9413   4.9975   8.7657   2.9129   12.441   7.0523   12.352   7.9305   3.3638   8.6155   3.4713 -0.6850595 4.833730 
1 1 1   23    3   51 o   26.575   1.4388   97.286   10.232  103.531   14.658   91.352   14.289   27.087   2.0295   25.384   2.1150 1.703606 2.931232 
1 1 1   23    3   52 o   14.535   3.1244   32.760   11.835   32.798   16.044   32.715   17.527   13.976   4.0437   13.822   4.2809 0.1536980 5.888706 
1 1 1   23    4  -47 o   7.2043   3.4223 -18.3832   17.962   0.0000   0.0000 -18.3832   17.962  ?   ?    7.2043   3.4223 0.000000 3.422273 
1 1 1   23    4  -46 o   11.703   3.6121   20.160   12.491   30.464   17.999   10.586   17.349   14.097   4.3334   10.365   4.1356 3.731902 5.990148 
1 1 1   23    4  -45 o   12.606   3.1126   23.333   10.476   33.957   12.956   3.2662   17.806   15.196   3.2711   9.4637   4.0197 5.732354 5.182445 
1 1 1   23    4  -44 o   47.102   1.1048  299.776   13.977  301.007   19.727  298.536   19.805   47.056   1.5608   46.858   1.5736 0.1981888 2.216423 
1 1 1   23    4  -43 o   29.892   1.3429  121.001   10.782  121.059   15.107  120.941   15.392   29.717   1.9027   29.690   1.9408 0.2678490E-01 2.717925 
1 1 1   23    4  -42 o   14.391   3.0887   29.994   11.582   37.496   16.412   22.553   16.346   15.890   3.8792   12.620   4.1586 3.269966 5.687011 
1 1 1   23    4  -41 o   26.118   1.5268   92.845   10.664   94.879   13.875   89.911   16.668   26.286   1.9798   25.429   2.4716 0.8571949 3.166744 
1 1 1   23    4  -40 o   46.267   1.2128  289.294   15.071  297.862   19.509  276.612   23.734   46.854   1.5502   45.013   1.9631 1.841053 2.501416 
1 1 1   23    4  -39 o   9.4673   3.1428   12.051   9.3293   6.7072   15.001   15.422   11.914   9.4513   3.8193   10.648   3.5523 -1.196370 5.215927 
1 1 1   23    4  -38 o   14.233   2.4128   28.561   8.8939   22.699   12.636   34.316   12.520   12.508   3.5798   15.428   3.1285 -2.919347 4.754211 
1 1 1   23    4  -37 o   10.389   3.2524   15.054   10.086   15.759   17.247   14.688   12.435   11.457   4.2348   10.561   3.6283 0.8963442 5.576506 
1 1 1   23    4  -36 o   24.607   1.5996   82.404   10.515   83.331   13.649   81.051   16.491   24.634   2.0823   24.150   2.5824 0.4836922 3.317359 
1 1 1   23    4  -35 o   34.402   1.1816  159.682   10.918  167.493   15.310  151.600   15.574   35.161   1.6211   33.385   1.7429 1.776417 2.380278 
1 1 1   23    4  -34 o   25.829   1.3497   90.341   9.3308  105.052   13.067   75.035   13.329   27.781   1.7603   23.376   2.1469 4.404655 2.776265 
1 1 1   23    4  -33 o   33.602   1.1306  152.198   10.204  157.606   14.250  146.506   14.619   34.137   1.5541   32.855   1.6620 1.281628 2.275419 
1 1 1   23    4  -32 o   16.355   1.8846   36.741   8.1272   38.246   11.223   35.082   11.785   16.530   2.6149   15.749   2.8926 0.7807274 3.899306 
1 1 1   23    4  -31 o   6.4417   2.6727   1.5195   7.5936   12.089   10.274 -11.2063   11.273   9.6901   3.2985   5.9563   2.7929 3.733847 4.322119 
1 1 1   23    4  -30 o   24.833   1.4140   83.501   9.3925   79.563   12.167   89.307   14.775   24.160   1.8901   25.547   2.1740 -1.386833 2.880772 
1 1 1   23    4  -29 o   25.314   1.8339   87.202   12.385   95.026   17.211   78.801   17.835   26.297   2.4655   23.833   2.8422 2.464535 3.762596 
1 1 1   23    4  -28 o   41.680   1.0270  233.869   11.497  243.609   16.428  224.518   16.095   42.489   1.4395   40.786   1.4693 1.702896 2.056887 
1 1 1   23    4  -27 o   49.384   0.9970  328.233   13.224  311.241   18.490  346.029   18.922   48.033   1.4332   50.653   1.3908 -2.619919 1.997086 
1 1 1   23    4  -26 o   41.284   1.0210  229.376   11.322  222.663   15.974  236.151   16.049   40.629   1.4638   41.846   1.4279 -1.216896 2.044916 
1 1 1   23    4  -25 o   38.363   1.2731  198.261   13.118  202.035   16.955  192.633   20.706   38.688   1.6316   37.667   2.0544 1.021328 2.623512 
1 1 1   23    4  -24 o   69.936   1.1594  658.409   21.778  668.414   37.260  653.217   26.840   70.307   1.9731   69.615   1.4355 0.6913452 2.440036 
1 1 1   23    4  -23 o   52.675   0.9701  373.199   13.725  363.484   19.329  383.078   19.492   51.943   1.3855   53.328   1.3608 -1.384541 1.942005 
1 1 1   23    4  -22 o   37.172   1.0157  185.850   10.141  177.825   14.086  194.484   14.611   36.332   1.4435   37.996   1.4317 -1.664722 2.033075 
1 1 1   23    4  -21 o   19.727   1.4800   52.712   7.7843   55.486   11.132   50.058   10.889   20.159   2.0861   19.125   2.1575 1.034035 3.001101 
1 1 1   23    4  -20 o   62.829   0.9633  530.779   16.255  536.304   23.119  525.378   22.861   63.117   1.3637   62.471   1.3624 0.6461258 1.927674 
1 1 1   23    4  -19 o   16.731   1.6522   38.084   7.3278   32.768   10.289   43.556   10.439   15.353   2.5871   17.818   2.2301 -2.465806 3.415575 
1 1 1   23    4  -18 o   53.592   0.9382  386.107   13.504  382.247   19.034  390.020   19.162   53.296   1.3297   53.836   1.3252 -0.5395317 1.877283 
1 1 1   23    4  -17 o   69.923   0.9814  657.292   18.432  671.690   26.326  643.449   25.814   70.647   1.3874   69.146   1.3899 1.501350 1.963874 
1 1 1   23    4  -16 o   50.975   0.9385  349.284   12.849  354.394   18.194  344.200   18.149   51.323   1.3198   50.579   1.3360 0.7446213 1.877954 
1 1 1   23    4  -15 o   58.135   1.0011  454.344   15.632  434.369   23.821  469.454   20.718   56.802   1.5614   59.073   1.3057 -2.271351 2.035393 
1 1 1   23    4  -14 o   27.304   1.2960  100.279   9.5039   80.441   16.321  110.457   11.690   24.268   2.5417   28.606   1.5270 -4.338455 2.965177 
1 1 1   23    4  -13 o   31.390   0.8171  132.407   6.8893  132.293   8.2809  132.663   12.417   31.372   0.9828   31.398   1.4723 -0.2599144E-01 1.770201 
1 1 1   23    4  -12 o   42.555   0.7084  243.313   8.0972  249.717   11.056  235.904   11.892   43.103   0.9550   41.890   1.0569 1.212944 1.424463 
1 1 1   23    4  -11 o  118.289   1.2629  1881.78   40.125  1864.70   50.588  1910.75   65.885  117.700   1.6002  119.055   2.0604 -1.354958 2.608808 
1 1 1   23    4  -10 f   48.422   0.8534  315.078   11.099  320.141   16.223  310.623   15.218   48.792   1.2379   48.064   1.1788 0.7277527 1.709373 
1 1 1   23    4   -9 o  101.639   1.0212  1388.57   27.878  1395.51   36.116  1378.34   43.853  101.863   1.3201  101.197   1.6134 0.6656265 2.084603 
1 1 1   23    4   -8 o   40.964   0.7105  225.453   7.8173  218.040   10.980  233.073   11.132   40.277   1.0150   41.642   0.9953 -1.365963 1.421558 
1 1 1   23    4   -7 o   25.245   0.9014   85.642   6.1119   82.476   8.1017   89.824   9.3112   24.767   1.2179   25.808   1.3479 -1.041159 1.816642 
1 1 1   23    4   -6 o   36.188   0.8369  175.971   8.1348  163.884   11.125  189.857   11.925   34.914   1.1864   37.579   1.1815 -2.665016 1.674319 
1 1 1   23    4   -5 o   70.609   0.8398  669.922   15.927  689.187   20.931  643.422   24.548   71.604   1.0883   69.171   1.3213 2.433327 1.711784 
1 1 1   23    4   -4 o   70.427   0.7699  666.412   14.564  659.656   20.556  673.222   20.637   70.053   1.0925   70.770   1.0857 -0.7170334 1.540223 
1 1 1   23    4   -3 o   54.756   0.7236  402.808   10.643  407.161   15.166  398.586   14.938   55.040   1.0259   54.458   1.0213 0.5824928 1.447592 
1 1 1   23    4   -2 o   52.535   0.7180  370.788   10.131  376.703   14.365  364.933   14.291   52.942   1.0102   52.108   1.0211 0.8340492 1.436379 
1 1 1   23    4   -1 o  102.494   0.9395  1411.72   25.865  1393.49   36.335  1430.45   36.826  101.797   1.3289  103.138   1.3293 -1.341064 1.879686 
1 1 1   23    4    0 o   46.895   0.7868  295.475   9.9106  304.567   14.207  286.858   13.832   47.600   1.1112   46.196   1.1148 1.404682 1.574022 
1 1 1   23    4    1 o  106.446   1.0080  1522.83   28.820  1495.52   42.319  1546.44   39.356  105.439   1.4943  107.234   1.3664 -1.794624 2.024867 
1 1 1   23    4    2 o  118.720   1.1434  1894.69   36.460  1898.44   57.780  1892.20   46.999  118.750   1.8116  118.604   1.4754 0.1461639 2.336340 
1 1 1   23    4    3 o   67.077   1.0012  604.706   18.037  620.325   24.212  585.231   27.038   67.919   1.3273   65.955   1.5263 1.963379 2.022654 
1 1 1   23    4    4 o   66.725   0.8758  598.258   15.695  600.928   23.309  596.044   21.229   66.850   1.2982   66.585   1.1870 0.2651901 1.759061 
1 1 1   23    4    5 o   32.307   0.8434  140.250   7.3189  159.086   11.384  126.978   9.5557   34.398   1.2321   30.733   1.1576 3.664459 1.690635 
1 1 1   23    4    6 o   57.703   0.8015  447.380   12.422  456.576   19.519  441.120   16.105   58.272   1.2471   57.287   1.0467 0.9843102 1.628122 
1 1 1   23    4    7 o   34.047   0.8657  155.770   7.9168  153.709   11.705  157.508   10.748   33.808   1.2890   34.228   1.1691 -0.4194069 1.740220 
1 1 1   23    4    8 o  124.191   1.3151  2074.28   43.867  2110.88   72.110  2052.78   55.271  125.134   2.1455  123.493   1.6663 1.640938 2.716594 
1 1 1   23    4    9 o   74.415   0.8678  744.143   17.345  737.456   27.069  748.801   22.593   74.045   1.3611   74.631   1.1271 -0.5858002 1.767169 
1 1 1   23    4   10 f  106.090   1.0566  1512.97   30.106  1512.64   47.381  1513.19   38.989  106.002   1.6642  106.063   1.3686 -0.6089783E-01 2.154678 
1 1 1   23    4   11 o   36.032   0.8241  174.462   7.9752  180.247   12.197  170.141   10.541   36.610   1.2404   35.574   1.1032 1.035965 1.659973 
1 1 1   23    4   12 o  113.287   1.1065  1725.50   33.670  1753.12   53.483  1707.37   43.334  114.095   1.7453  112.648   1.4322 1.447159 2.257703 
1 1 1   23    4   13 o   49.717   0.8211  332.160   10.965  337.728   15.234  326.175   15.794   50.118   1.1317   49.250   1.1940 0.8680458 1.645088 
1 1 1   23    4   14 o   48.738   0.7671  319.186   10.041  325.540   14.703  313.632   13.746   49.205   1.1125   48.299   1.0596 0.9056244 1.536376 
1 1 1   23    4   15 o   64.294   0.7997  555.492   13.809  556.276   20.242  554.810   18.886   64.315   1.1718   64.236   1.0946 0.7916260E-01 1.603546 
1 1 1   23    4   16 o   7.1089   2.5043   5.9756   5.9427  -3.7138   8.2770   16.284   8.5374   5.7799   2.5881   10.780   2.8896 -5.000524 3.879215 
1 1 1   23    4   17 o   25.628   0.9373   88.288   6.4519   85.176   8.9965   91.582   9.2578   25.124   1.3380   26.055   1.3273 -0.9311333 1.884660 
1 1 1   23    4   18 o   42.490   0.7644  242.622   8.7232  244.968   12.250  240.210   12.425   42.681   1.0686   42.263   1.0945 0.4178658 1.529677 
1 1 1   23    4   19 o   46.745   0.7556  293.650   9.4867  305.916   13.463  281.553   13.370   47.695   1.0509   45.755   1.0879 1.940807 1.512625 
1 1 1   23    4   20 o   21.488   1.0698   62.101   6.1744   65.995   8.4625   57.670   9.0289   22.092   1.4339   20.621   1.6438 1.470707 2.181323 
1 1 1   23    4   21 o   28.401   0.9449  108.464   7.2082  105.757   10.045  111.338   10.350   28.027   1.3343   28.757   1.3400 -0.7297421 1.891029 
1 1 1   23    4   22 o   27.582   0.9134  102.297   6.7670  107.899   9.3903   96.245   9.7602   28.313   1.2348   26.698   1.3657 1.614201 1.841147 
1 1 1   23    4   23 o   42.001   0.7830  237.147   8.8334  235.515   12.384  238.838   12.604   41.836   1.1021   42.129   1.1138 -0.2932129 1.566919 
1 1 1   23    4   24 o   27.619   0.9349  102.602   6.9350  100.956   9.5758  104.418   10.057   27.377   1.3023   27.839   1.3450 -0.4626255 1.872136 
1 1 1   23    4   25 o   72.055   0.8563  698.230   16.573  715.568   22.521  677.750   24.476   72.903   1.1501   70.928   1.2848 1.974831 1.724346 
1 1 1   23    4   26 o   11.852   1.9648   19.508   6.0355   24.100   7.8230   12.756   9.4867   13.139   2.3006   9.7797   3.1651 3.359301 3.912858 
1 1 1   23    4   27 o   12.992   1.7292   23.212   5.8846   29.178   7.9727   16.073   8.7218   14.523   2.1052   10.674   2.9458 3.849044 3.620736 
1 1 1   23    4   28 o   14.423   1.8658   28.620   7.0585   24.796   8.7330   35.823   11.987   13.276   2.5417   15.942   2.9066 -2.666545 3.861187 
1 1 1   23    4   29 o   8.4184   2.5294   9.7612   6.1805   9.7171   7.6897   9.8417   10.388   8.6192   2.8529   9.1630   3.3020 -0.5438166 4.363712 
1 1 1   23    4   30 o  107.413   1.0023  1553.37   28.917  1558.39   40.795  1548.30   40.994  107.452   1.4135  107.099   1.4251 0.3531418 2.007216 
1 1 1   23    4   31 o   25.335   1.1163   86.485   7.5963   87.638   11.332   85.544   10.237   25.399   1.6704   25.116   1.5247 0.2822990 2.261636 
1 1 1   23    4   32 o   45.466   0.8856  278.216   10.815  284.384   14.155  269.563   16.765   45.934   1.1473   44.682   1.3969 1.252037 1.807691 
1 1 1   23    4   33 o   22.937   1.0958   70.905   6.7509   76.081   9.2460   64.995   9.8800   23.684   1.4606   21.843   1.6974 1.840506 2.239299 
1 1 1   23    4   34 o   16.438   1.5586   36.881   6.7991   29.941   9.5414   44.040   9.6910   14.590   2.5263   17.879   2.0555 -3.288620 3.256868 
1 1 1   23    4   35 o   28.501   1.0758  109.514   8.2353  100.710   10.662  122.531   12.965   27.249   1.4622   30.033   1.6132 -2.784344 2.177219 
1 1 1   23    4   36 o   25.436   1.1784   87.326   8.0510   98.381   10.374   70.587   12.766   26.928   1.4396   22.648   2.1233 4.279900 2.565357 
1 1 1   23    4   37 o   31.644   1.0849  135.087   9.2209  138.757   12.361  130.483   13.846   32.016   1.4374   30.960   1.6712 1.055832 2.204345 
1 1 1   23    4   38 o   39.482   0.9114  210.051   9.6646  213.414   13.094  206.027   14.324   39.742   1.2267   39.020   1.3668 0.7224998 1.836504 
1 1 1   23    4   39 o   36.578   1.0811  180.566   10.621  171.741   14.575  190.559   15.509   35.587   1.5248   37.482   1.5405 -1.895237 2.167586 
1 1 1   23    4   40 o   7.7224   2.7873   7.0569   7.4059   5.1994   9.4748   9.9742   11.874   7.7998   3.0738   9.3924   3.5053 -1.592573 4.662156 
1 1 1   23    4   41 o   38.378   0.9375  198.555   9.6638  200.758   13.479  196.224   13.863   38.522   1.3027   38.073   1.3556 0.4489632 1.880103 
1 1 1   23    4   42 o   29.569   1.1178  118.066   8.8775  106.585   12.876  128.467   12.256   27.937   1.7244   30.779   1.4825 -2.842083 2.274101 
1 1 1   23    4   43 o   35.906   1.0927  174.106   10.538  189.212   14.792  158.536   15.017   37.347   1.4746   34.146   1.6374 3.200989 2.203488 
1 1 1   23    4   44 o   5.7296   2.4705  -0.3778   6.9146   8.3169   9.3725 -10.7623   10.243   8.4684   3.1234   5.5698   2.6274 2.898613 4.081555 
1 1 1   23    4   45 o   33.448   1.2169  151.488   10.932  142.223   14.025  165.833   17.452   32.267   1.6234   34.753   1.8766 -2.485321 2.481364 
1 1 1   23    4   46 o   27.125   1.5039  100.526   10.914   90.918   14.919  111.590   16.009   25.545   2.1957   28.352   2.1175 -2.807049 3.050436 
1 1 1   23    4   47 o   32.110   1.3717  140.380   11.831  129.866   17.600  149.047   15.979   30.509   2.1618   32.872   1.8169 -2.362530 2.823909 
1 1 1   23    4   48 o   7.3119   2.9318   4.4978   8.7647   11.341   12.207  -2.7838   12.592   9.5041   3.5528   7.2043   3.2115 2.299784 4.789159 
1 1 1   23    4   49 o   18.055   1.8820   45.704   8.9926   47.696   13.017   43.885   12.438   18.025   2.7778   17.280   2.7738 0.7457371 3.925589 
1 1 1   23    4   50 o   18.419   1.9298   47.868   9.4054   39.666   13.485   55.636   13.124   16.074   3.2355   19.533   2.5635 -3.458361 4.127971 
1 1 1   23    4   51 o   8.6823   3.4932   8.0536   12.489  -8.2750   29.605   11.589   13.775   9.8158   4.5776   9.5280   3.7208 0.2877398 5.898993 
1 1 1   23    5  -46 o   11.990   4.2116   20.755   16.799   0.0000   0.0000   20.755   16.799  ?   ?    11.990   4.2116 0.000000 4.211573 
1 1 1   23    5  -45 o   20.004   2.5886   56.836   13.582   67.798   19.976   47.411   18.523   21.374   3.6080   17.612   4.0061 3.762148 5.391324 
1 1 1   23    5  -44 o   16.580   2.4108   38.835   10.421   40.271   13.168   36.427   17.049   16.659   3.0555   15.484   4.0525 1.175118 5.075305 
1 1 1   23    5  -43 o   40.639   1.1698  223.349   12.769  220.872   18.018  225.848   18.098   40.270   1.6658   40.725   1.6545 -0.4549255 2.347845 
1 1 1   23    5  -42 o   32.204   1.2971  140.394   11.219  136.480   15.978  144.201   15.757   31.557   1.8939   32.467   1.8142 -0.9096508 2.622638 
1 1 1   23    5  -41 o   12.595   3.2720   23.155   11.169   28.368   15.474   17.485   16.139   13.847   3.9608   11.567   4.1213 2.280521 5.715996 
1 1 1   23    5  -40 o   32.418   1.3523  142.292   11.775  151.297   16.014  131.693   17.374   33.279   1.7983   30.943   2.1029 2.335405 2.766985 
1 1 1   23    5  -39 o   11.856   3.1246   20.395   10.090   24.449   12.927   14.073   16.142   12.923   3.5938   10.934   4.0859 1.989550 5.441469 
1 1 1   23    5  -38 o   33.530   1.3631  152.201   12.276  153.307   19.958  151.528   15.569   33.356   2.2406   33.328   1.7454 0.2875519E-01 2.840191 
1 1 1   23    5  -37 o   23.879   1.5093   77.605   9.6303   74.185   13.467   81.184   13.777   23.175   2.1894   24.268   2.1354 -1.093073 3.058337 
1 1 1   23    5  -36 o   28.095   1.5413  107.317   11.586  129.968   19.885   95.675   14.256   30.660   2.4348   26.403   2.0257 4.257135 3.167316 
1 1 1   23    5  -35 o   21.902   1.8380   65.674   10.713   64.187   13.170   68.581   18.416   21.532   2.3135   21.974   3.2155 -0.4423771 3.961277 
1 1 1   23    5  -34 o   29.766   1.2626  119.642   10.094  110.616   13.975  129.489   14.596   28.477   1.8369   30.836   1.7698 -2.359013 2.550751 
1 1 1   23    5  -33 o   29.963   1.2227  121.154   9.8400  129.716   13.543  111.581   14.321   30.903   1.6375   28.603   1.8744 2.299477 2.488971 
1 1 1   23    5  -32 o   28.905   1.2421  112.729   9.6434  115.294   13.400  109.972   13.889   29.120   1.7209   28.415   1.8296 0.7051296 2.511712 
1 1 1   23    5  -31 f   19.108   1.6605   49.783   8.4374   51.081   11.845   48.447   12.021   19.216   2.3436   18.681   2.4553 0.5357265 3.394254 
1 1 1   23    5  -30 o   11.023   2.6809   17.290   7.8611   10.609   11.249   23.666   10.990   9.4977   3.4341   12.849   3.1973 -3.351587 4.692087 
1 1 1   23    5  -29 o   33.447   1.1321  150.740   10.170  149.771   14.239  151.750   14.531   33.284   1.5928   33.500   1.6149 -0.2161407 2.268232 
1 1 1   23    5  -28 o   38.602   1.5067  201.268   15.622  180.669   21.545  224.105   22.685   36.389   2.2149   40.575   2.0887 -4.186451 3.044408 
1 1 1   23    5  -27 o   27.361   1.2432  100.916   9.1364   94.528   12.897  107.350   12.944   26.361   1.8329   28.120   1.7221 -1.758839 2.515028 
1 1 1   23    5  -26 o   41.367   1.0258  230.363   11.398  238.784   16.129  221.964   16.108   42.068   1.4275   40.553   1.4789 1.515659 2.055457 
1 1 1   23    5  -25 o   6.0439   2.5578   0.3833   7.1682  -1.0583   10.087   1.8539   10.188   6.8764   2.9744   7.4195   3.0885 -0.5430479 4.287923 
1 1 1   23    5  -24 o   21.561   1.7443   63.225   10.015   52.569   12.147   85.849   17.699   19.537   2.3629   24.964   2.6818 -5.426987 3.574218 
1 1 1   23    5  -23 o   27.555   1.7182  102.932   12.653   91.384   17.225  116.465   18.647   25.812   2.5165   29.193   2.3993 -3.381350 3.477017 
1 1 1   23    5  -22 o   25.694   1.4207   89.247   9.7666   96.853   16.817   85.376   11.997   26.619   2.3771   25.079   1.7928 1.539913 2.977400 
1 1 1   23    5  -21 o   40.968   0.9944  225.764   10.942  230.964   15.710  220.865   15.249   41.403   1.4127   40.488   1.4022 0.9142838 1.990428 
1 1 1   23    5  -20 o   63.247   0.9687  537.983   16.456  544.860   23.217  531.040   23.329   63.606   1.3590   62.791   1.3833 0.8150482 1.939145 
1 1 1   23    5  -19 o   15.327   1.8048   32.128   7.2875   37.977   10.540   26.771   10.087   16.573   2.4408   13.796   2.8174 2.776909 3.727628 
1 1 1   23    5  -18 o   16.136   1.7405   35.514   7.4240   17.373   10.329   54.905   10.678   11.182   3.2470   20.067   2.0082 -8.885426 3.817872 
1 1 1   23    5  -17 o   57.143   0.9527  439.017   14.623  431.683   20.548  446.542   20.814   56.630   1.3509   57.597   1.3454 -0.9669685 1.906607 
1 1 1   23    5  -16 o   25.563   1.1789   87.902   8.0941   71.701   11.364  104.583   11.531   22.985   1.8566   27.823   1.5492 -4.838493 2.418085 
1 1 1   23    5  -15 o   62.295   0.9510  521.699   15.912  527.930   22.532  515.499   22.475   62.634   1.3393   61.891   1.3520 0.7430382 1.903073 
1 1 1   23    5  -14 o   66.799   0.9283  599.808   16.655  597.507   20.485  604.296   28.606   66.654   1.1442   66.987   1.5899 -0.3324890 1.958869 
1 1 1   23    5  -13 o   43.023   0.7979  248.750   9.2204  255.392   13.201  242.424   12.884   43.579   1.1278   42.458   1.1298 1.120983 1.596366 
1 1 1   23    5  -12 o   96.242   0.9364  1245.04   24.205  1241.23   35.750  1248.26   32.890   96.043   1.3858   96.330   1.2712 -0.2868881 1.880565 
1 1 1   23    5  -11 o   54.724   0.7802  402.424   11.468  397.163   16.644  407.180   15.825   54.346   1.1402   55.032   1.0706 -0.6853218 1.564066 
1 1 1   23    5  -10 o   70.237   0.8077  662.938   15.238  657.121   20.449  670.201   22.849   69.910   1.0890   70.593   1.2051 -0.6831512 1.624254 
1 1 1   23    5   -9 o   71.886   0.8483  694.471   16.379  719.398   21.478  659.830   25.320   73.148   1.0932   70.034   1.3461 3.114517 1.734064 
1 1 1   23    5   -8 o  108.948   1.0693  1595.77   31.292  1584.90   40.351  1612.17   49.561  108.537   1.3842  109.420   1.6864 -0.8824463 2.181684 
1 1 1   23    5   -7 o   38.180   0.7894  195.879   8.0952  201.243   10.645  188.523   12.466   38.692   1.0243   37.441   1.2396 1.251156 1.608083 
1 1 1   23    5   -6 o   70.054   0.9573  659.623   18.012  659.702   22.711  659.489   29.570   70.041   1.2072   69.998   1.5728 0.4362488E-01 1.982715 
1 1 1   23    5   -5 o   68.155   0.8328  624.197   15.245  623.898   19.762  624.636   23.958   68.124   1.0801   68.147   1.3089 -0.2359772E-01 1.696980 
1 1 1   23    5   -4 o   66.686   0.7846  597.550   14.053  603.117   19.209  591.141   20.612   66.981   1.0677   66.307   1.1574 0.6742020 1.574659 
1 1 1   23    5   -3 o   68.376   0.7661  628.189   14.070  646.277   20.125  610.895   19.678   69.336   1.0807   67.410   1.0868 1.925072 1.532660 
1 1 1   23    5   -2 o   43.691   0.7281  256.473   8.5447  248.169   12.065  264.829   12.103   42.967   1.0454   44.387   1.0152 -1.419956 1.457242 
1 1 1   23    5   -1 o   76.984   0.8042  796.362   16.630  814.565   23.722  778.771   23.319   77.838   1.1347   76.108   1.1407 1.729828 1.608963 
1 1 1   23    5    0 o  135.592   1.1532  2471.91   42.000  2469.68   59.370  2474.14   59.423  135.453   1.6319  135.575   1.6319 -0.1223297 2.307805 
1 1 1   23    5    1 o  117.793   1.0851  1865.28   34.329  1828.28   50.455  1897.18   46.843  116.547   1.6118  118.745   1.4687 -2.198425 2.180606 
1 1 1   23    5    2 o   80.397   0.9525  868.727   20.569  893.824   28.072  839.635   30.224   81.524   1.2820   79.001   1.4244 2.523109 1.916384 
1 1 1   23    5    3 o  129.024   1.1606  2238.27   40.221  2251.25   59.829  2227.57   54.331  129.305   1.7227  128.651   1.5723 0.6540833 2.332321 
1 1 1   23    5    4 o   32.068   0.8376  138.187   7.2139  130.246   9.6709  148.149   10.832   31.124   1.1569   33.192   1.2150 -2.068249 1.677637 
1 1 1   23    5    5 o   73.288   0.8300  721.766   16.338  714.294   21.992  730.971   24.409   72.889   1.1233   73.726   1.2326 -0.8374405 1.667701 
1 1 1   23    5    6 o   49.837   0.7591  333.725   10.161  342.955   15.145  326.168   13.703   50.506   1.1164   49.258   1.0357 1.247692 1.522869 
1 1 1   23    5    7 o   33.437   0.8383  150.243   7.5290  154.957   10.850  145.865   10.456   33.946   1.1900   32.935   1.1820 1.010639 1.677269 
1 1 1   23    5    8 o   38.089   0.7555  194.936   7.7286  200.442   10.976  189.523   10.884   38.613   1.0583   37.546   1.0793 1.067211 1.511603 
1 1 1   23    5    9 o   35.474   0.7804  169.096   7.4354  178.970   10.547  159.343   10.483   36.485   1.0763   34.425   1.1338 2.060810 1.563314 
1 1 1   23    5   10 o   48.865   0.7350  320.837   9.6466  327.180   13.592  314.400   13.693   49.333   1.0258   48.359   1.0542 0.9744911 1.470928 
1 1 1   23    5   11 o   57.981   0.7457  451.726   11.613  459.347   16.516  444.273   16.333   58.452   1.0520   57.484   1.0578 0.9674149 1.491858 
1 1 1   23    5   12 o   27.802   0.8826  103.885   6.5909  103.250   9.2371  104.544   9.4070   27.706   1.2413   27.878   1.2563 -0.1724911 1.766106 
1 1 1   23    5   13 o   72.609   0.7994  708.491   15.591  704.180   21.903  712.919   22.197   72.363   1.1269   72.810   1.1350 -0.4469528 1.599476 
1 1 1   23    5   14 o   44.236   0.7811  262.970   9.2805  269.696   13.546  257.019   12.741   44.782   1.1262   43.719   1.0850 1.062962 1.563805 
1 1 1   23    5   15 o   80.142   0.9145  863.386   19.685  878.667   27.958  848.366   27.720   80.810   1.2881   79.403   1.2998 1.406967 1.829912 
1 1 1   23    5   16 o   42.388   0.7701  241.467   8.7679  239.679   12.219  243.364   12.589   42.216   1.0776   42.538   1.1018 -0.3219109 1.541185 
1 1 1   23    5   17 o   25.149   0.9411   85.032   6.3572   93.789   8.9582   76.149   9.0229   26.400   1.2634   23.740   1.4216 2.660496 1.901854 
1 1 1   23    5   18 o   25.167   0.9553   85.166   6.4579   76.021   8.9027   95.322   9.3817   23.720   1.4037   26.611   1.3126 -2.891613 1.921742 
1 1 1   23    5   19 o   55.871   0.7654  419.562   11.486  425.509   16.152  413.480   16.336   56.243   1.0692   55.440   1.0970 0.8030510 1.531906 
1 1 1   23    5   20 o   61.159   0.8760  502.905   14.390  511.353   19.272  492.261   21.632   61.643   1.1640   60.462   1.3321 1.180996 1.769001 
1 1 1   23    5   21 o   36.201   0.8623  176.214   8.3845  168.874   11.035  186.237   12.896   35.422   1.1599   37.188   1.2911 -1.766544 1.735583 
1 1 1   23    5   22 o   22.352   1.1155   67.246   6.6971   61.653   8.7229   75.277   10.452   21.327   1.5330   23.560   1.6624 -2.232725 2.261342 
1 1 1   23    5   23 o   70.304   0.8508  664.698   16.065  670.810   21.538  657.033   24.121   70.589   1.1360   69.836   1.2860 0.7527847 1.715852 
1 1 1   23    5   24 o   35.349   0.8951  168.085   8.4983  171.861   11.121  162.786   13.175   35.724   1.1590   34.745   1.4117 0.9789734 1.826577 
1 1 1   23    5   25 o   23.665   1.1353   75.419   7.2160   79.515   9.3617   69.423   11.327   24.235   1.4447   22.572   1.8855 1.663111 2.375399 
1 1 1   23    5   26 o   30.702   0.9126  126.836   7.5253  131.587   10.231  121.236   11.107   31.249   1.2190   29.980   1.3794 1.268532 1.840832 
1 1 1   23    5   27 o   44.934   0.8918  271.676   10.763  259.931   14.574  285.768   15.964   43.913   1.2356   46.036   1.2910 -2.123028 1.787062 
1 1 1   23    5   28 o   40.491   0.8210  220.558   8.9288  224.275   12.364  216.507   12.908   40.800   1.1282   40.079   1.1991 0.7211304 1.646439 
1 1 1   23    5   29 o   40.649   0.9169  222.388   10.011  236.540   14.399  209.150   13.927   41.878   1.2802   39.374   1.3169 2.504047 1.836583 
1 1 1   23    5   30 o   31.624   0.9750  134.658   8.2818  152.999   12.035  118.163   11.414   33.672   1.3308   29.579   1.4366 4.092331 1.958287 
1 1 1   23    5   31 f   7.3223   2.5276   6.6749   6.0383   21.573   8.1847 -11.1172   8.9445   12.341   2.5535   5.0628   2.4079 7.277868 3.509752 
1 1 1   23    5   32 o   55.312   0.8078  411.677   12.001  422.895   16.896  400.256   17.048   56.009   1.1232   54.481   1.1650 1.527641 1.618263 
1 1 1   23    5   33 o   24.494   1.1644   80.927   7.6605   85.901   11.374   76.798   10.363   25.119   1.6958   23.756   1.6341 1.362589 2.355002 
1 1 1   23    5   34 o   36.640   0.8784  180.769   8.6446  173.746   11.666  189.320   12.873   35.878   1.2107   37.440   1.2801 -1.562366 1.761922 
1 1 1   23    5   35 o   29.252   0.9909  115.337   7.7856  120.827   10.621  108.959   11.447   29.898   1.3226   28.324   1.5101 1.573328 2.007355 
1 1 1   23    5   36 o   8.2612   2.7762   8.9357   7.2769   13.223   10.831   5.4081   9.8245   9.9881   3.3869   7.9525   3.1313 2.035662 4.612571 
1 1 1   23    5   37 o   36.529   1.1343  180.166   11.129  174.155   14.851  187.865   16.807   35.833   1.5431   37.182   1.6829 -1.348988 2.283283 
1 1 1   23    5   38 o   39.684   0.9880  212.389   10.531  216.733   13.650  206.000   16.553   40.033   1.2694   38.955   1.5821 1.078445 2.028391 
1 1 1   23    5   39 o   12.674   2.2311   22.652   7.3172   7.3198   9.3848   46.423   11.686   8.2547   3.1094   18.202   2.4528 -9.947054 3.960325 
1 1 1   23    5   40 o   14.192   2.0503   28.091   7.5890   27.837   9.5963   28.514   12.399   13.966   2.6552   13.962   3.3494 0.4630089E-02 4.274220 
1 1 1   23    5   41 o   21.721   1.3963   64.178   8.1028   51.283   10.184   86.423   13.376   19.270   1.9966   25.064   2.0036 -5.794413 2.828630 
1 1 1   23    5   42 o   34.088   0.9933  156.781   9.0947  167.298   12.479  144.865   13.283   35.149   1.3218   32.666   1.5139 2.483257 2.009728 
1 1 1   23    5   43 o   12.913   2.4413   23.771   8.1572   7.4048   11.050   43.367   12.092   8.6325   3.3432   17.480   2.6593 -8.847859 4.271858 
1 1 1   23    5   44 o   19.924   1.8101   54.715   9.5810   46.379   14.010   62.038   13.132   17.921   3.0179   21.045   2.3641 -3.123745 3.833604 
1 1 1   23    5   45 o   18.935   1.7482   49.481   8.7909   54.487   11.898   43.464   13.045   19.696   2.2921   17.331   2.9051 2.364529 3.700451 
1 1 1   23    5   46 o   18.973   1.7890   49.882   9.0087   49.013   12.011   51.001   13.621   18.551   2.4720   18.793   2.7827 -0.2412682 3.722114 
1 1 1   23    5   47 o   22.158   1.6354   67.760   9.6641   65.297   13.186   70.618   14.205   21.459   2.3249   22.281   2.4122 -0.8218155 3.350238 
1 1 1   23    5   48 o   14.462   2.5973   30.640   9.7180   41.887   14.866   22.247   12.842   16.496   3.4655   11.980   3.6566 4.516005 5.037845 
1 1 1   23    5   49 o   5.6138   2.6539 -10.2149   10.553  -9.4592   17.282 -10.6643   13.327   7.6014   3.5290   6.4473   3.0275 1.154109 4.649644 
1 1 1   23    5   50 o   6.4501   3.0249  -9.8692   13.231  -9.0430   23.734 -10.2418   15.938   8.8545   4.1190   7.1366   3.3382 1.717941 5.301861 
1 1 1   23    6  -46 o   15.583   5.5129   41.340   28.829   0.0000   0.0000   41.340   28.829  ?   ?    15.583   5.5129 0.000000 5.512948 
1 1 1   23    6  -45 o   51.269   2.0928  364.521   28.818   0.0000   0.0000  364.521   28.818  ?   ?    51.269   2.0928 0.000000 2.092753 
1 1 1   23    6  -44 o   13.559   3.5184   27.627   12.924   29.170   18.780   26.240   17.812   13.827   4.4509   13.221   4.3403 0.6058607 6.216856 
1 1 1   23    6  -43 o   26.247   1.7069   94.444   11.968   91.623   14.900   99.575   20.091   25.686   2.1804   26.476   2.8713 -0.7899914 3.605320 
1 1 1   23    6  -42 o   16.112   2.2371   36.400   9.4202   45.119   13.008   26.783   13.661   17.772   2.8191   13.426   3.6792 4.346703 4.635018 
1 1 1   23    6  -41 o   31.343   1.4715  133.324   12.388  121.549   19.451  141.360   16.068   29.552   2.4733   32.118   1.8707 -2.566578 3.101103 
1 1 1   23    6  -40 o   36.595   1.4877  181.711   14.623  185.260   20.577  178.090   20.785   36.710   2.0956   35.964   2.1618 0.7461128 3.010805 
1 1 1   23    6  -39 o   53.611   1.1366  388.276   16.366  396.614   21.767  377.433   24.822   54.065   1.4990   52.642   1.7556 1.423584 2.308431 
1 1 1   23    6  -38 f   45.964   1.2588  285.771   15.540  284.619   20.559  287.306   23.735   45.745   1.6732   45.867   1.9266 -0.1214561 2.551804 
1 1 1   23    6  -37 o   17.784   2.1804   43.976   10.197   53.237   17.016   38.787   12.737   19.166   3.4315   16.441   2.9947 2.724571 4.554495 
1 1 1   23    6  -36 o   34.420   1.2261  160.145   11.335  160.295   15.796  159.985   16.276   34.331   1.7130   34.238   1.7760 0.9320068E-01 2.467491 
1 1 1   23    6  -35 f   52.559   1.2159  373.251   17.165  388.938   29.254  365.014   21.198   53.359   2.0412   51.887   1.5211 1.471619 2.545596 
1 1 1   23    6  -34 o   47.036   1.2034  298.786   15.203  288.769   18.629  318.761   26.306   46.169   1.5022   48.335   2.0262 -2.166401 2.522382 
1 1 1   23    6  -33 o   13.075   2.5122   24.224   8.5017   17.273   11.722   31.938   12.349   11.124   3.5097   14.887   3.1846 -3.763100 4.739214 
1 1 1   23    6  -32 o   57.912   1.0109  451.963   15.725  461.971   22.523  442.445   21.964   58.448   1.4347   57.201   1.4296 1.247158 2.025374 
1 1 1   23    6  -31 o   51.476   1.0042  356.998   13.884  369.069   19.775  345.264   19.497   52.258   1.4089   50.539   1.4363 1.719635 2.011955 
1 1 1   23    6  -30 o   33.759   1.1158  153.631   10.118  147.538   14.300  159.739   14.318   33.016   1.6125   34.364   1.5512 -1.348003 2.237539 
1 1 1   23    6  -29 o   13.333   2.3414   24.927   8.0788   22.841   11.579   26.906   11.277   12.617   3.3578   13.702   3.1325 -1.085123 4.592121 
1 1 1   23    6  -28 o   45.060   1.0111  273.435   12.237  273.441   17.337  273.429   17.275   44.996   1.4346   44.996   1.4294 0.1068115E-03 2.025140 
1 1 1   23    6  -27 o   18.397   2.4126   46.900   11.634   42.689   15.921   51.725   17.041   17.249   3.5546   19.057   3.4566 -1.807854 4.958125 
1 1 1   23    6  -26 o   30.414   1.3778  124.828   11.255  132.659   13.817  109.382   19.405   31.278   1.6505   28.186   2.5923 3.092506 3.073140 
1 1 1   23    6  -25 o   40.154   1.0327  217.096   11.138  212.627   15.482  221.892   16.035   39.688   1.4523   40.541   1.4726 -0.8525276 2.068282 
1 1 1   23    6  -24 o   57.815   0.9882  449.908   15.345  466.212   21.723  433.666   21.681   58.791   1.3757   56.693   1.4238 2.098015 1.979844 
1 1 1   23    6  -23 o   64.099   1.1433  553.362   19.684  538.780   24.038  583.041   34.293   63.200   1.4161   65.617   1.9458 -2.416904 2.406529 
1 1 1   23    6  -22 o   35.601   1.2308  170.747   11.769  157.884   14.370  196.946   20.509   34.201   1.5644   38.084   2.0121 -3.882751 2.548705 
1 1 1   23    6  -21 o   6.1979   2.6729  -0.7414   8.0968 -12.0015   13.819   5.1450   9.9915   6.7711   3.1475   8.0222   3.1581 -1.251083 4.458745 
1 1 1   23    6  -20 o   32.426   1.2708  141.621   11.068  138.083   18.974  143.445   13.625   31.846   2.2324   32.611   1.5556 -0.7649651 2.720956 
1 1 1   23    6  -19 o   74.215   1.0129  740.963   20.190  737.308   28.541  744.623   28.566   73.967   1.4366   74.334   1.4308 -0.3670807 2.027560 
1 1 1   23    6  -18 o   32.166   1.0774  139.202   9.3084  123.371   12.925  156.260   13.417   30.206   1.5988   34.053   1.4669 -3.846449 2.169794 
1 1 1   23    6  -17 o   44.102   1.0675  261.646   12.644  257.969   16.453  266.951   19.762   43.764   1.3997   44.494   1.6536 -0.7297096 2.166491 
1 1 1   23    6  -16 o   47.680   1.0143  305.751   12.990  305.556   20.289  305.886   16.911   47.615   1.5864   47.667   1.3209 -0.5150986E-01 2.064332 
1 1 1   23    6  -15 o   11.858   2.4796   19.743   7.6437   21.213   11.808   18.682   10.028   12.296   3.4402   11.533   3.1489 0.7627783 4.663716 
1 1 1   23    6  -14 f   99.017   1.1355  1318.86   30.199  1312.60   38.127  1329.41   49.472   98.733   1.4377   99.276   1.8553 -0.5433121 2.347202 
1 1 1   23    6  -13 o   67.699   0.8465  616.032   15.391  607.196   19.480  630.712   25.110   67.193   1.0794   68.452   1.3657 -1.259392 1.740760 
1 1 1   23    6  -12 o   68.217   0.8273  625.464   15.159  621.653   23.624  628.132   19.763   67.969   1.2941   68.343   1.0766 -0.3741531 1.683380 
1 1 1   23    6  -11 o   38.027   0.7390  194.323   7.5485  195.442   11.064  193.348   10.324   38.123   1.0806   37.921   1.0136 0.2017250 1.481578 
1 1 1   23    6  -10 o   76.025   0.8344  776.804   17.039  792.069   23.141  758.731   25.180   76.744   1.1227   75.099   1.2483 1.644913 1.678899 
1 1 1   23    6   -9 o   90.909   0.8736  1110.80   21.331  1135.59   30.530  1087.15   29.815   91.880   1.2371   89.899   1.2348 1.981026 1.747910 
1 1 1   23    6   -8 o   62.222   0.7367  520.234   12.312  499.502   17.209  541.977   17.623   60.951   1.0512   63.491   1.0334 -2.539902 1.474099 
1 1 1   23    6   -7 o   42.675   0.7972  244.733   9.1370  258.838   14.679  235.811   11.674   43.866   1.2459   41.880   1.0379 1.986336 1.621520 
1 1 1   23    6   -6 o   72.631   0.8171  708.929   15.941  714.612   21.742  702.323   23.440   72.900   1.1104   72.262   1.2077 0.6378708 1.640586 
1 1 1   23    6   -5 o   52.201   0.7964  366.189   11.167  371.681   14.465  358.089   17.567   52.580   1.0243   51.595   1.2676 0.9849663 1.629709 
1 1 1   23    6   -4 o   56.439   0.8404  428.086   12.740  425.044   15.708  433.935   21.781   56.228   1.0401   56.785   1.4280 -0.5577927 1.766674 
1 1 1   23    6   -3 o   54.505   0.8363  399.244   12.243  417.057   15.345  368.046   20.308   55.698   1.0257   52.296   1.4458 3.401958 1.772677 
1 1 1   23    6   -2 o   22.723   1.0377   69.418   6.3336   61.369   8.0893   82.167   10.181   21.308   1.4216   24.658   1.5451 -3.349718 2.099546 
1 1 1   23    6   -1 o   68.099   0.8442  623.230   15.441  628.092   19.986  616.031   24.319   68.348   1.0887   67.669   1.3380 0.6796188 1.724988 
1 1 1   23    6    0 o   13.695   1.6258   25.608   5.8637   35.514   8.6580   17.214   7.9699   16.100   2.0485   11.063   2.7047 5.037055 3.392916 
1 1 1   23    6    1 o   22.028   1.2061   65.451   7.1087   63.764   9.4947   67.603   10.724   21.700   1.6412   22.328   1.8035 -0.6286297 2.438466 
1 1 1   23    6    2 o   49.126   0.7678  324.297   10.131  345.782   13.839  299.479   14.873   50.716   1.0159   47.191   1.1734 3.525703 1.552092 
1 1 1   23    6    3 o   62.903   0.7587  531.683   12.819  536.092   18.226  527.367   18.033   63.145   1.0746   62.629   1.0720 0.5157318 1.517910 
1 1 1   23    6    4 o   51.957   0.7655  362.749   10.683  377.642   15.898  350.488   14.425   52.995   1.1169   51.058   1.0518 1.937172 1.534233 
1 1 1   23    6    5 o   64.478   0.7663  558.653   13.270  563.518   18.777  553.798   18.757   64.739   1.0799   64.178   1.0881 0.5613327 1.533015 
1 1 1   23    6    6 o   76.717   0.9304  791.101   19.172  777.524   25.636  808.328   28.878   76.028   1.2554   77.506   1.3872 -1.477531 1.870950 
1 1 1   23    6    7 o   33.230   0.8211  148.402   7.3288  156.386   10.659  141.244   10.093   34.101   1.1638   32.408   1.1595 1.692802 1.642831 
1 1 1   23    6    8 o   21.173   1.0184   60.270   5.7917   51.666   8.0453   69.525   8.3441   19.529   1.5465   22.689   1.3757 -3.160072 2.069847 
1 1 1   23    6    9 o   66.848   0.7763  600.521   13.939  601.348   19.719  599.694   19.707   66.872   1.0978   66.780   1.0987 0.9210205E-01 1.553180 
1 1 1   23    6   10 o   30.090   0.8390  121.691   6.7808  124.250   9.5335  119.071   9.6465   30.394   1.1678   29.752   1.2071 0.6418324 1.679585 
1 1 1   23    6   11 o   20.987   1.1084   59.398   6.2259   60.207   8.1893   58.289   9.5838   21.098   1.4540   20.726   1.7377 0.3726311 2.265748 
1 1 1   23    6   12 o   25.538   0.9730   87.683   6.6739   92.427   8.7944   81.241   10.248   26.210   1.2492   24.511   1.5648 1.699509 2.002334 
1 1 1   23    6   13 o   57.968   0.7937  451.619   12.358  452.948   16.549  449.942   18.581   58.035   1.0617   57.832   1.1962 0.2036781 1.599411 
1 1 1   23    6   14 f   22.368   1.2232   67.520   7.3209   71.912   9.3924   60.722   11.686   23.056   1.5253   21.103   2.0891 1.952551 2.586697 
1 1 1   23    6   15 o   99.960   0.9820  1343.61   26.365  1331.26   35.381  1359.03   39.536   99.447   1.3246  100.452   1.4654 -1.005463 1.975300 
1 1 1   23    6   16 o   46.523   0.8004  290.930   10.001  275.962   13.122  311.676   15.449   45.294   1.0786   48.126   1.1951 -2.832703 1.609917 
1 1 1   23    6   17 o   37.157   0.8587  185.618   8.5700  177.787   11.123  197.058   13.444   36.350   1.1393   38.257   1.3083 -1.907581 1.734839 
1 1 1   23    6   18 o   26.605   0.9943   95.207   7.1055  100.214   9.3186   88.253   10.982   27.282   1.2717   25.533   1.6097 1.749369 2.051404 
1 1 1   23    6   19 o   70.401   0.9133  666.554   17.270  666.972   23.038  666.017   26.093   70.384   1.2187   70.309   1.3817 0.7559967E-01 1.842372 
1 1 1   23    6   20 o   28.168   0.9916  106.745   7.5022  103.663   9.7645  111.186   11.721   27.740   1.3105   28.673   1.5274 -0.9328213 2.012613 
1 1 1   23    6   21 o   48.521   0.7784  316.548   10.144  330.065   14.283  302.791   14.409   49.520   1.0739   47.424   1.1312 2.095943 1.559763 
1 1 1   23    6   22 o   22.903   1.0551   70.605   6.4906   71.429   8.9938   69.710   9.3764   22.965   1.4657   22.675   1.5488 0.2904205 2.132419 
1 1 1   23    6   23 o   44.142   0.7993  262.040   9.4767  268.410   13.232  255.331   13.579   44.646   1.1034   43.539   1.1612 1.107517 1.601832 
1 1 1   23    6   24 o   14.490   1.5919   28.699   6.0936   28.514   8.2623   28.920   9.0230   14.327   2.2188   14.388   2.4207 -0.6134892E-01 3.283779 
1 1 1   23    6   25 o   16.101   1.4124   35.247   6.0460   46.433   8.2963   22.579   8.8292   18.454   1.6927   12.624   2.6864 5.829665 3.175195 
1 1 1   23    6   26 o   16.210   1.6704   35.906   7.1683   36.876   9.5665   34.664   10.825   16.320   2.2416   15.720   2.6586 0.6003122 3.477472 
1 1 1   23    6   27 o   33.097   0.9933  147.496   8.8301  140.580   12.509  154.366   12.467   32.265   1.4434   33.819   1.3724 -1.553967 1.991741 
1 1 1   23    6   28 o   26.964   1.0892   97.957   7.8880   99.679   11.253   96.294   11.060   27.111   1.5518   26.645   1.5522 0.4660244 2.194853 
1 1 1   23    6   29 o   53.170   0.8078  380.366   11.536  389.040   16.009  370.999   16.637   53.728   1.1094   52.455   1.1808 1.272839 1.620196 
1 1 1   23    6   30 o   14.847   1.6600   30.211   6.5065   35.581   8.6839   23.338   9.8245   16.048   2.0624   12.774   2.9262 3.273668 3.579980 
1 1 1   23    6   31 o   17.784   1.3739   42.979   6.5117   42.713   8.6840   43.321   9.8424   17.643   1.8607   17.716   2.1100 -0.7316399E-01 2.813198 
1 1 1   23    6   32 o   14.969   1.6182   30.700   6.4025   29.921   8.5116   31.716   9.7166   14.645   2.2347   15.023   2.4957 -0.3782063 3.349963 
1 1 1   23    6   33 o   48.475   0.8702  316.430   11.329  322.444   16.651  311.245   15.460   48.858   1.2688   48.017   1.1987 0.8410759 1.745522 
1 1 1   23    6   34 o   41.474   0.9046  231.734   10.077  229.094   14.487  234.209   14.025   41.165   1.3103   41.634   1.2542 -0.4686432 1.813795 
1 1 1   23    6   35 f   27.751   1.0565  103.900   7.8748   99.938   10.793  108.410   11.515   27.116   1.4876   28.237   1.5240 -1.120989 2.129667 
1 1 1   23    6   36 o   47.927   0.9595  309.701   12.351  299.539   16.979  321.123   18.000   47.044   1.3438   48.700   1.3761 -1.656204 1.923363 
1 1 1   23    6   37 o   20.985   1.3204   59.827   7.4043   51.137   9.8775   70.974   11.187   19.261   1.9355   22.745   1.8472 -3.483555 2.675444 
1 1 1   23    6   38 f   39.269   1.0469  208.121   11.042  212.133   14.859  203.173   16.503   39.568   1.3981   38.674   1.5887 0.8943253 2.116293 
1 1 1   23    6   39 o   19.131   1.7289   50.215   8.7877   50.127   10.347   50.442   16.645   19.031   2.0570   18.621   3.4552 0.4098663 4.021170 
1 1 1   23    6   40 o   28.345   1.1716  108.591   8.9194  117.487   11.255   93.571   14.625   29.438   1.4234   26.046   2.1086 3.391865 2.544048 
1 1 1   23    6   41 o   28.259   1.2357  108.046   9.3789  109.277   12.699  106.569   13.912   28.283   1.6791   27.873   1.8691 0.4101830 2.512550 
1 1 1   23    6   42 o   32.399   1.0333  141.757   8.9916  145.821   12.006  136.566   13.570   32.793   1.3631   31.638   1.6021 1.154737 2.103495 
1 1 1   23    6   43 o   50.114   1.0040  339.234   13.515  335.001   17.899  344.847   20.612   49.688   1.3412   50.338   1.5245 -0.6495934 2.030486 
1 1 1   23    6   44 o   18.642   1.7721   48.023   8.7662   52.268   11.667   42.517   13.285   19.279   2.2984   17.090   3.0038 2.188639 3.782280 
1 1 1   23    6   45 o   11.036   3.0600   18.060   9.3869   22.654   14.000   14.308   12.652   12.252   3.8311   10.265   3.6499 1.987123 5.291459 
1 1 1   23    6   46 o   18.761   2.0603   49.495   10.211   62.856   15.308   38.786   13.705   20.795   2.8130   16.035   3.2924 4.760393 4.330508 
1 1 1   23    6   47 o   14.368   2.6631   30.388   9.8985   22.919   14.826   36.395   13.296   12.126   3.9589   15.428   3.3079 -3.301527 5.158999 
1 1 1   23    6   48 o   18.979   2.2591   51.678   11.290   56.489   17.414   48.190   14.828   19.041   3.5351   17.758   3.2278 1.282978 4.787004 
1 1 1   23    6   49 o   14.561   3.4075   33.610   13.091   57.807   19.950   15.315   17.347   18.651   4.0946   10.573   4.1615 8.078560 5.838168 
1 1 1   23    7  -45 o   26.449   4.4199  111.400   30.291   0.0000   0.0000  111.400   30.291  ?   ?    26.449   4.4199 0.000000 4.419926 
1 1 1   23    7  -44 o   14.186   4.4669   31.751   18.995   0.0000   0.0000   31.751   18.995  ?   ?    14.186   4.4669 0.000000 4.466857 
1 1 1   23    7  -43 o   31.309   1.7980  134.892   15.057  132.678   21.399  137.064   21.188   30.638   2.6259   31.186   2.5520 -0.5481472 3.661644 
1 1 1   23    7  -42 o   6.2288   2.8087  -4.2696   9.9408   7.9872   12.424 -26.0782   16.573   9.0085   3.5293   6.3423   3.0814 2.666186 4.685142 
1 1 1   23    7  -41 o   54.769   1.0771  405.368   15.844  396.223   22.072  415.090   22.757   53.979   1.5224   55.245   1.5337 -1.265106 2.160997 
1 1 1   23    7  -40 o   35.865   1.2287  174.066   11.836  185.615   16.758  162.567   16.721   36.911   1.6903   34.462   1.8128 2.449467 2.478594 
1 1 1   23    7  -39 o   36.011   1.4977  176.044   14.486  150.319   20.064  204.057   20.937   32.971   2.2797   38.547   2.0294 -5.576405 3.052094 
1 1 1   23    7  -38 f   23.595   1.6507   76.089   10.395   69.292   13.967   84.528   15.564   22.305   2.3677   24.654   2.3801 -2.348740 3.357154 
1 1 1   23    7  -37 o   45.129   1.3388  275.815   16.228  261.556   19.899  304.126   28.039   43.838   1.6901   47.045   2.2190 -3.207233 2.789321 
1 1 1   23    7  -36 o   15.734   2.5202   34.993   10.291   13.572   17.378   46.561   12.771   11.020   4.2120   18.138   2.7040 -7.118356 5.005203 
1 1 1   23    7  -35 o   46.109   1.0799  287.010   13.374  301.124   18.954  273.019   18.872   47.115   1.4978   44.842   1.5669 2.273663 2.167633 
1 1 1   23    7  -34 f   25.388   1.6521   87.932   11.204  108.401   19.150   77.279   13.816   27.903   2.5846   23.647   2.2005 4.256060 3.394413 
1 1 1   23    7  -33 o   33.393   1.3581  150.878   12.181  140.936   15.068  169.626   20.692   32.148   1.7517   35.128   2.2042 -2.979755 2.815515 
1 1 1   23    7  -32 o   20.045   1.6298   54.856   8.6989   56.347   12.031   53.223   12.592   20.170   2.2597   19.542   2.4530 0.6270905 3.335185 
1 1 1   23    7  -31 o   25.385   1.3510   87.344   9.1779   89.645   12.926   85.004   13.034   25.606   1.8929   24.914   1.9637 0.6921310 2.727465 
1 1 1   23    7  -30 o   40.266   1.0587  218.564   11.450  220.179   16.182  216.946   16.204   40.340   1.4935   40.040   1.5068 0.2999268 2.121496 
1 1 1   23    7  -29 o   11.890   2.5363   20.079   7.8525   17.889   10.878   22.463   11.347   11.252   3.3500   12.495   3.3234 -1.242840 4.718842 
1 1 1   23    7  -28 o   45.562   1.0130  279.652   12.397  291.685   17.579  267.746   17.485   46.465   1.4086   44.507   1.4627 1.957996 2.030647 
1 1 1   23    7  -27 o   42.513   1.0239  243.455   11.692  246.914   16.579  240.032   16.492   42.750   1.4438   42.148   1.4568 0.6021805 2.051078 
1 1 1   23    7  -26 o   7.7997   2.9731   5.9599   8.6437   9.1617   14.479   4.1870   10.774   9.8618   3.8248   8.0164   3.2378 1.845425 5.011190 
1 1 1   23    7  -25 o   81.198   1.2472  889.149   27.201  879.273   33.037  909.937   47.929   80.663   1.5249   81.791   2.1818 -1.127899 2.661824 
1 1 1   23    7  -24 o   28.775   1.2999  111.685   10.047  108.507   13.047  116.314   15.747   28.264   1.7269   29.208   2.0197 -0.9438114 2.657384 
1 1 1   23    7  -23 o   28.436   1.2027  108.987   9.1858  104.305   12.768  114.011   13.226   27.714   1.7237   28.982   1.7065 -1.268400 2.425606 
1 1 1   23    7  -22 o   30.195   1.2096  122.872   9.8100  121.602   13.514  124.287   14.264   29.943   1.6872   30.260   1.7626 -0.3163109 2.439957 
1 1 1   23    7  -21 o   82.781   1.2297  923.424   27.341  938.073   33.855  895.950   46.362   83.362   1.5120   81.266   2.1241 2.096321 2.607274 
1 1 1   23    7  -20 o   34.010   1.1902  155.809   10.872  157.930   14.226  152.831   16.858   34.205   1.5485   33.557   1.8780 0.6481972 2.434047 
1 1 1   23    7  -19 o   51.904   1.2452  362.936   17.359  378.900   41.711  359.592   19.091   52.572   2.9660   51.647   1.3762 0.9253654 3.269773 
1 1 1   23    7  -18 o   23.639   1.6588   75.801   10.466   74.900   21.812   76.070   11.928   23.068   3.6413   23.645   1.8941 -0.5773411 4.104473 
1 1 1   23    7  -17 o   67.852   1.0411  619.480   18.974  619.829   25.653  619.059   28.193   67.816   1.4084   67.749   1.5493 0.6735992E-01 2.093801 
1 1 1   23    7  -16 o   22.268   1.3600   67.049   8.0952   65.553   11.679   68.433   11.231   21.930   2.0050   22.429   1.8817 -0.4994869 2.749655 
1 1 1   23    7  -15 o   56.046   0.8031  422.279   12.089  431.348   15.261  407.001   19.808   56.628   1.0033   54.972   1.3415 1.656078 1.675212 
1 1 1   23    7  -14 o   48.003   0.7963  309.747   10.266  311.262   12.787  306.999   17.221   48.107   0.9896   47.747   1.3428 0.3603210 1.668068 
1 1 1   23    7  -13 o   26.676   0.7897   95.651   5.6584  100.243   7.8314   90.635   8.1847   27.298   1.0681   25.953   1.1742 1.345675 1.587283 
1 1 1   23    7  -12 o   37.497   0.8291  189.003   8.3501  197.834   14.731  184.822   10.136   38.327   1.4309   37.071   1.0180 1.255836 1.756100 
1 1 1   23    7  -11 o   47.222   0.7896  299.718   10.015  290.368   13.756  310.265   14.609   46.461   1.1023   48.024   1.1326 -1.563286 1.580455 
1 1 1   23    7  -10 o   47.214   0.7738  299.598   9.8123  295.848   15.344  302.193   12.763   46.890   1.2183   47.405   1.0024 -0.5149193 1.577676 
1 1 1   23    7   -9 o   76.453   0.8032  785.611   16.493  801.457   23.625  770.547   23.036   77.189   1.1396   75.686   1.1332 1.502411 1.607067 
1 1 1   23    7   -8 o   56.519   0.7613  429.304   11.556  431.468   17.361  427.582   15.485   56.636   1.1413   56.390   1.0224 0.2466545 1.532271 
1 1 1   23    7   -7 o   57.202   0.8019  439.772   12.321  435.796   17.516  443.666   17.335   56.920   1.1457   57.434   1.1237 -0.5133972 1.604802 
1 1 1   23    7   -6 f   82.063   0.8296  905.121   18.285  917.959   26.013  892.583   25.706   82.609   1.1724   81.459   1.1749 1.150116 1.659795 
1 1 1   23    7   -5 o  103.084   0.9480  1428.55   26.248  1459.22   37.538  1399.21   36.716  104.130   1.3422  101.966   1.3406 2.163460 1.897014 
1 1 1   23    7   -4 o   62.205   0.7868  520.020   13.145  523.780   17.796  515.504   19.501   62.411   1.0616   61.907   1.1728 0.5039024 1.581918 
1 1 1   23    7   -3 o   58.546   0.8122  460.656   12.771  459.481   16.553  462.384   20.076   58.456   1.0543   58.623   1.2750 -0.1671753 1.654442 
1 1 1   23    7   -2 o   84.091   0.8773  950.464   19.816  928.859   26.593  977.433   29.712   83.099   1.1915   85.231   1.2979 -2.132309 1.761871 
1 1 1   23    7   -1 o   24.297   1.0224   79.377   6.6720   88.280   10.011   72.262   8.9493   25.566   1.4639   23.124   1.4482 2.442307 2.059224 
1 1 1   23    7    0 o   51.965   0.7736  362.895   10.797  373.172   14.636  350.622   15.994   52.682   1.0344   51.057   1.1663 1.624855 1.558893 
1 1 1   23    7    1 o   42.014   0.7469  237.199   8.4282  246.690   12.107  228.275   11.740   42.832   1.0524   41.202   1.0609 1.630074 1.494293 
1 1 1   23    7    2 o   75.104   0.8036  758.075   16.211  762.790   22.932  753.365   22.918   75.310   1.1337   74.843   1.1401 0.4673309 1.607819 
1 1 1   23    7    3 o   31.063   0.8662  129.699   7.2270  141.706   9.9600  116.346   10.503   32.459   1.1424   29.404   1.3298 3.055361 1.753169 
1 1 1   23    7    4 o   38.651   0.8041  200.777   8.3482  204.480   11.453  196.580   12.194   38.994   1.0935   38.228   1.1876 0.7653084 1.614370 
1 1 1   23    7    5 o   10.154   2.2238   14.466   5.8968   17.820   8.0816   10.646   8.6232   11.249   2.7075   9.0951   3.0216 2.153543 4.057212 
1 1 1   23    7    6 f   55.589   0.7872  415.301   11.753  407.526   15.761  425.041   17.640   55.050   1.0659   56.213   1.1684 -1.162918 1.581543 
1 1 1   23    7    7 o   32.988   0.9060  146.286   8.0279  151.490   10.211  137.863   12.990   33.560   1.1328   31.996   1.5115 1.564331 1.888930 
1 1 1   23    7    8 o   47.935   0.8214  308.840   10.576  317.685   14.769  299.529   15.152   48.599   1.1314   47.185   1.1956 1.413525 1.646069 
1 1 1   23    7    9 o   54.904   0.7893  405.141   11.640  403.251   15.544  407.553   17.564   54.758   1.0569   55.040   1.1881 -0.2811089 1.590153 
1 1 1   23    7   10 o   98.696   0.9744  1309.76   25.829  1323.98   35.014  1292.80   38.256   99.180   1.3144   97.980   1.4537 1.199387 1.959809 
1 1 1   23    7   11 o   27.609   0.9466  102.489   7.0195  105.325   9.2366   98.612   10.800   27.977   1.2292   27.016   1.4941 0.9601669 1.934768 
1 1 1   23    7   12 o   52.352   0.7537  368.362   10.597  360.836   14.784  376.317   15.199   51.794   1.0627   52.893   1.0698 -1.098808 1.507949 
1 1 1   23    7   13 o  120.505   1.1664  1954.01   37.752  1935.91   52.966  1972.70   53.824  119.829   1.6457  120.959   1.6567 -1.130173 2.335143 
1 1 1   23    7   14 o   57.131   0.7674  438.725   11.776  448.296   16.629  429.097   16.679   57.726   1.0725   56.474   1.0996 1.252125 1.536015 
1 1 1   23    7   15 o   36.348   0.8078  177.609   7.8862  174.749   10.897  180.754   11.427   36.036   1.1259   36.648   1.1609 -0.6116676 1.617198 
1 1 1   23    7   16 o   81.348   0.8471  889.773   18.510  882.577   25.954  897.221   26.405   80.970   1.1934   81.637   1.2042 -0.6672134 1.695393 
1 1 1   23    7   17 o   11.763   1.8071   19.118   5.5269   19.726   7.5351   18.410   8.1315   11.843   2.4497   11.409   2.6962 0.4336319 3.642882 
1 1 1   23    7   18 o   30.245   0.9249  123.050   7.5135  120.294   10.490  125.952   10.766   29.880   1.3071   30.575   1.3110 -0.6943588 1.851310 
1 1 1   23    7   19 o   35.685   0.8263  171.254   7.9198  176.497   11.018  165.651   11.391   36.206   1.1331   35.069   1.2094 1.136307 1.657229 
1 1 1   23    7   20 o   36.575   0.8228  179.916   8.0829  180.473   11.179  179.306   11.701   36.608   1.1369   36.484   1.1941 0.1237221 1.648734 
1 1 1   23    7   21 o   67.811   0.8077  618.446   14.711  621.168   20.657  615.643   20.957   67.912   1.1325   67.605   1.1541 0.3064651 1.616927 
1 1 1   23    7   22 o   21.779   1.1337   64.069   6.6090   69.372   9.2093   58.438   9.4900   22.615   1.5251   20.717   1.7210 1.897581 2.299509 
1 1 1   23    7   23 o   50.320   0.7977  340.593   10.781  355.921   15.115  324.718   15.382   51.404   1.0948   49.089   1.1667 2.314838 1.599873 
1 1 1   23    7   24 o   37.355   0.8385  187.736   8.4126  177.245   11.549  199.596   12.279   36.263   1.1857   38.481   1.1880 -2.218323 1.678499 
1 1 1   23    7   25 o   33.674   1.0964  152.776   9.9164  152.866   14.763  152.702   13.386   33.617   1.6350   33.621   1.4824 -0.3475189E-02 2.206920 
1 1 1   23    7   26 o   37.155   0.9180  185.830   9.1614  178.020   13.288  192.905   12.648   36.315   1.3624   37.818   1.2451 -1.503811 1.845651 
1 1 1   23    7   27 o   43.320   0.8321  252.531   9.6817  267.828   13.422  235.940   13.979   44.577   1.1211   41.821   1.2444 2.755379 1.674929 
1 1 1   23    7   28 o   35.915   0.8880  173.639   8.5664  172.507   11.727  174.935   12.544   35.760   1.2210   36.000   1.2973 -0.2404289 1.781461 
1 1 1   23    7   29 o   18.819   1.3936   48.114   6.9943   50.672   9.4756   45.052   10.367   19.233   1.8574   18.055   2.1822 1.178360 2.865613 
1 1 1   23    7   30 o   14.368   1.8408   28.480   6.9404   39.917   9.8822   17.347   9.7496   16.963   2.2224   11.037   3.1395 5.926747 3.846486 
1 1 1   23    7   31 o   24.556   1.1809   81.386   7.7887   88.167   11.186   75.003   10.852   25.448   1.6453   23.445   1.7356 2.003695 2.391546 
1 1 1   23    7   32 o   30.131   1.0051  122.395   8.1340  127.101   11.330  117.389   11.685   30.653   1.3761   29.405   1.4843 1.248011 2.024030 
1 1 1   23    7   33 o   59.047   0.8318  469.551   13.191  462.160   18.255  477.627   19.083   58.502   1.1618   59.464   1.1948 -0.9615059 1.666524 
1 1 1   23    7   34 f   32.196   0.9722  139.775   8.4075  144.510   11.538  134.414   12.276   32.682   1.3144   31.494   1.4513 1.187889 1.958032 
1 1 1   23    7   35 o   38.577   1.0186  200.790   10.554  205.335   14.211  195.201   15.759   38.941   1.3587   37.922   1.5472 1.019333 2.059110 
1 1 1   23    7   36 o   39.013   0.9459  205.242   9.9119  192.724   12.801  223.988   15.664   37.743   1.2627   40.646   1.4348 -2.903095 1.911300 
1 1 1   23    7   37 o   17.725   1.5274   42.962   7.2005   49.945   9.4219   33.156   11.165   19.043   1.8661   15.206   2.8380 3.836748 3.396595 
1 1 1   23    7   38 f   7.4915   2.7313   6.5137   7.1373   1.5160   8.8458   15.837   12.082   6.8303   2.8633   10.731   3.5772 -3.900548 4.581997 
1 1 1   23    7   39 o   24.896   1.2730   84.108   8.4838   92.215   12.050   76.140   11.946   25.959   1.7383   23.532   1.9065 2.427652 2.580032 
1 1 1   23    7   40 o   15.945   1.9600   35.293   8.2172   30.406   9.9091   46.055   14.703   14.594   2.6245   17.836   3.1861 -3.242181 4.127831 
1 1 1   23    7   41 o   17.763   1.8614   43.609   8.7485   41.098   11.927   46.533   12.871   16.975   2.7070   18.073   2.7371 -1.098404 3.849630 
1 1 1   23    7   42 o   28.635   1.3586  111.326   10.449   97.538   12.938  137.185   17.719   26.631   1.8197   31.483   2.1075 -4.852636 2.784416 
1 1 1   23    7   43 o   13.245   2.4378   25.176   8.3528   27.202   10.878   22.266   13.038   13.573   3.0574   12.209   3.6750 1.364333 4.780518 
1 1 1   23    7   44 o   18.370   1.8663   46.963   9.0807   54.921   12.657   38.522   13.036   19.646   2.4520   16.122   3.1233 3.524242 3.970791 
1 1 1   23    7   45 o   19.621   2.0249   54.051   10.518   67.194   15.189   41.941   14.579   21.570   2.6794   16.628   3.3796 4.941917 4.312897 
1 1 1   23    7   46 o   34.402   1.4798  162.395   13.674  178.341   21.666  151.839   17.628   35.471   2.2863   32.923   2.0030 2.548519 3.039647 
1 1 1   23    7   47 o   20.093   2.5980   59.046   13.692   87.932   20.785   36.899   18.200   24.012   3.3108   14.807   4.3132 9.205170 5.437373 
1 1 1   23    7   48 o   8.1024   3.5297   1.9575   14.409  -4.4850   18.075   13.190   23.866   8.1519   3.7197   10.931   4.6485 -2.778943 5.953568 
1 1 1   23    7   49 o   12.757   3.6380   26.925   13.075   24.491   19.613   28.872   17.541   12.011   4.5007   12.843   4.3103 -0.8320904 6.231793 
1 1 1   23    8  -44 o   18.523   5.1795   59.400   26.774   0.0000   0.0000   59.400   26.774  ?   ?    18.523   5.1795 0.000000 5.179543 
1 1 1   23    8  -43 o   21.672   3.3459   69.810   18.849   0.0000   0.0000   69.810   18.849  ?   ?    21.672   3.3459 0.000000 3.345856 
1 1 1   23    8  -42 o   7.9745   3.3226   3.3922   11.806   4.3628   16.929   2.4730   16.474   9.3213   3.9371   8.9666   3.8387 0.3547869 5.498767 
1 1 1   23    8  -41 o   9.9060   3.2613   13.711   10.054   12.817   12.632   15.257   16.608   10.019   3.6365   11.054   4.1417 -1.035452 5.511634 
1 1 1   23    8  -40 o   13.734   2.5953   27.067   9.2229   13.739   13.172   39.885   12.918   10.330   3.7187   16.594   3.0092 -6.264114 4.783763 
1 1 1   23    8  -39 o   32.468   1.2656  142.766   11.037  162.632   15.725  123.481   15.494   34.539   1.6951   29.970   1.9351 4.569185 2.572516 
1 1 1   23    8  -38 o   42.128   1.2785  240.304   14.467  249.733   22.847  233.994   18.691   42.699   1.9922   41.449   1.6789 1.249744 2.605264 
1 1 1   23    8  -37 o   31.043   1.3176  130.518   10.986  131.636   15.547  129.405   15.525   30.987   1.8769   30.718   1.8909 0.2692890 2.664214 
1 1 1   23    8  -36 o   15.460   2.6597   34.044   10.646   27.140   13.198   46.902   18.012   13.553   3.5743   17.745   3.8867 -4.191796 5.280307 
1 1 1   23    8  -35 o   16.403   2.3964   37.839   10.246   59.006   17.720   27.206   12.559   20.181   3.3892   13.597   3.4371 6.584471 4.827076 
1 1 1   23    8  -34 o   13.098   2.5221   24.463   8.5509   34.654   11.995   13.933   12.193   15.508   2.9881   10.301   3.5898 5.206318 4.670728 
1 1 1   23    8  -33 o   33.469   1.2403  151.482   11.150  159.250   16.077  144.285   15.476   34.154   1.7586   32.499   1.7798 1.655052 2.502007 
1 1 1   23    8  -32 o   41.426   1.4410  232.533   16.033  270.312   22.484  193.449   22.870   44.526   1.8801   37.470   2.2833 7.056545 2.957726 
1 1 1   23    8  -31 o   32.668   1.1973  144.157   10.506  134.396   14.641  154.517   15.084   31.395   1.7431   33.731   1.6649 -2.335886 2.410479 
1 1 1   23    8  -30 f   12.042   2.5418   20.663   7.9628   20.918   10.960   20.378   11.588   12.037   3.2943   11.905   3.4342 0.1316843 4.758744 
1 1 1   23    8  -29 o   27.517   1.2750  102.275   9.4235  100.486   13.275  104.093   13.380   27.132   1.8323   27.621   1.8135 -0.4892673 2.578049 
1 1 1   23    8  -28 o   25.730   1.3336   89.682   9.1847   84.570   12.758   95.181   13.233   24.867   1.9251   26.401   1.8785 -1.533415 2.689757 
1 1 1   23    8  -27 o   12.566   2.3847   22.275   7.7544   19.224   10.880   25.426   11.054   11.610   3.3214   13.293   3.1451 -1.683978 4.574255 
1 1 1   23    8  -26 o   12.873   2.3742   23.325   7.9067   30.947   10.941   14.992   11.440   14.759   2.8632   10.558   3.4789 4.200587 4.505650 
1 1 1   23    8  -25 o   65.763   1.1703  583.161   20.671  553.017   35.005  599.302   25.614   63.778   2.0435   66.600   1.4319 -2.822708 2.495231 
1 1 1   23    8  -24 o   68.723   1.0846  636.396   20.020  624.101   30.169  646.071   26.762   67.905   1.6541   69.155   1.4408 -1.249725 2.193646 
1 1 1   23    8  -23 o   21.347   1.7244   62.095   9.8025   70.495   11.758   42.952   17.750   22.711   1.9464   17.199   3.9284 5.512363 4.384177 
1 1 1   23    8  -22 o   42.969   1.1961  248.909   13.804  274.299   19.494  223.375   19.550   45.037   1.6116   40.609   1.7924 4.428398 2.410361 
1 1 1   23    8  -21 o   4.9046   2.2933  -7.2725   7.5095   1.5036   11.216 -14.4042   10.110   7.6661   3.2194   5.2049   2.4982 2.461176 4.075045 
1 1 1   23    8  -20 o   9.1633   3.0500   10.978   8.7844   10.631   11.015   11.585   14.560   9.4718   3.4016   10.354   3.8782 -0.8826933 5.158659 
1 1 1   23    8  -19 o   50.487   0.9777  343.087   13.258  352.457   18.867  333.947   18.634   51.116   1.3742   49.752   1.3944 1.363575 1.957786 
1 1 1   23    8  -18 o   66.700   0.9919  598.800   17.770  581.751   25.020  616.152   25.242   65.668   1.4185   67.588   1.3905 -1.919685 1.986360 
1 1 1   23    8  -17 o   49.908   1.1085  335.383   14.860  331.643   25.707  337.260   18.210   49.496   1.9337   50.015   1.3556 -0.5187187 2.361556 
1 1 1   23    8  -16 o   55.478   0.8964  414.015   13.357  419.888   17.775  406.397   20.245   55.836   1.1852   54.905   1.3728 0.9311028 1.813641 
1 1 1   23    8  -15 o   63.363   0.9138  540.055   15.552  520.825   20.853  564.155   23.344   62.181   1.2486   64.701   1.3433 -2.519569 1.833955 
1 1 1   23    8  -14 o   14.274   1.1593   27.608   4.4061   31.633   5.8278   22.238   6.7321   15.251   1.4397   12.662   2.0496 2.589475 2.504682 
1 1 1   23    8  -13 o   42.297   0.7724  240.515   8.7752  247.158   13.321  235.423   11.663   42.850   1.1575   41.830   1.0381 1.020023 1.554798 
1 1 1   23    8  -12 o   47.516   0.7660  303.510   9.7762  307.000   13.143  299.188   14.627   47.770   1.0243   47.147   1.1551 0.6229782 1.543838 
1 1 1   23    8  -11 o   39.145   0.7788  205.986   8.1881  195.010   12.250  214.851   11.009   38.062   1.1982   39.964   1.0256 -1.901760 1.577209 
1 1 1   23    8  -10 o   63.146   0.8745  536.132   14.832  528.889   19.644  545.735   22.620   62.689   1.1667   63.661   1.3229 -0.9714546 1.763848 
1 1 1   23    8   -9 o   36.944   0.8600  183.501   8.5336  189.289   15.151  180.811   10.328   37.480   1.5050   36.663   1.0488 0.8169823 1.834420 
1 1 1   23    8   -8 o   30.857   0.8616  128.011   7.1405  135.087   10.341  121.560   9.8722   31.682   1.2152   30.053   1.2230 1.628498 1.724077 
1 1 1   23    8   -7 o   80.439   0.8259  869.806   17.844  883.488   25.424  856.522   25.052   81.030   1.1682   79.784   1.1691 1.246323 1.652662 
1 1 1   23    8   -6 o   91.632   0.8841  1128.83   21.759  1128.50   30.816  1129.16   30.728   91.568   1.2529   91.595   1.2490 -0.2742767E-01 1.769168 
1 1 1   23    8   -5 o   65.659   0.7630  579.418   13.456  579.786   19.077  579.054   18.982   65.653   1.0819   65.612   1.0771 0.4097748E-01 1.526626 
1 1 1   23    8   -4 o   80.881   0.8278  879.352   17.983  895.522   25.609  863.620   25.259   81.584   1.1687   80.117   1.1738 1.466988 1.656410 
1 1 1   23    8   -3 o   62.221   0.7572  520.325   12.654  534.784   18.075  506.427   17.722   63.056   1.0672   61.361   1.0753 1.695274 1.514979 
1 1 1   23    8   -2 o   28.924   0.9684  112.488   7.5230  117.597   10.917  107.867   10.382   29.554   1.3752   28.306   1.3655 1.248566 1.938019 
1 1 1   23    8   -1 o   58.352   0.8698  457.724   13.632  466.891   16.738  439.660   23.495   58.919   1.0577   57.129   1.5312 1.790287 1.860988 
1 1 1   23    8    0 o   44.066   0.7742  260.983   9.1630  267.436   12.560  253.640   13.398   44.593   1.0486   43.421   1.1488 1.171650 1.555421 
1 1 1   23    8    1 o   25.355   0.9262   86.431   6.3072   97.164   9.0150   76.139   8.8274   26.870   1.2491   23.740   1.3905 3.130499 1.869140 
1 1 1   23    8    2 o   35.841   0.7800  172.653   7.5089  174.526   10.599  170.767   10.639   36.021   1.0955   35.630   1.1118 0.3908768 1.560830 
1 1 1   23    8    3 o   27.127   0.9091   98.933   6.6241  108.992   9.6242   89.879   9.1310   28.458   1.2591   25.806   1.3218 2.651812 1.825516 
1 1 1   23    8    4 o   4.9999   2.1604  -0.6548   5.3096  -3.8153   7.4901   2.5377   7.5279   5.4203   2.4417   6.6752   2.7027 -1.254939 3.642336 
1 1 1   23    8    5 o   74.241   0.8089  740.868   16.129  741.490   22.734  740.237   22.887   74.239   1.1401   74.176   1.1488 0.6377411E-01 1.618484 
1 1 1   23    8    6 o   31.368   0.8921  132.290   7.5159  132.460   10.115  132.080   11.231   31.374   1.2003   31.322   1.3350 0.5247879E-01 1.795229 
1 1 1   23    8    7 o   56.870   0.7560  434.694   11.547  409.413   16.024  462.001   16.654   55.168   1.0814   58.606   1.0580 -3.438183 1.512882 
1 1 1   23    8    8 o   72.758   0.8439  711.659   16.492  719.437   22.289  702.250   24.515   73.124   1.1349   72.229   1.2636 0.8949585 1.698440 
1 1 1   23    8    9 o   16.601   1.3396   37.349   5.9220   32.855   8.3839   41.824   8.3662   15.456   2.0716   17.513   1.8044 -2.056795 2.747283 
1 1 1   23    8   10 o   37.673   0.7969  190.787   8.0631  185.770   11.177  196.231   11.643   37.157   1.1199   38.187   1.1352 -1.030834 1.594637 
1 1 1   23    8   11 o   27.292   0.9204  100.165   6.7466   94.192   9.3850  106.553   9.7055   26.447   1.3212   28.130   1.2845 -1.683918 1.842731 
1 1 1   23    8   12 o   31.749   0.9550  135.577   8.1435  137.714   11.328  133.292   11.715   31.976   1.3190   31.454   1.3867 0.5223827 1.913779 
1 1 1   23    8   13 o   43.528   0.7813  254.726   9.1350  260.132   12.775  249.069   13.068   43.966   1.0818   43.017   1.1311 0.9492264 1.565083 
1 1 1   23    8   14 o   48.977   0.7713  322.489   10.146  328.443   14.267  316.398   14.430   49.401   1.0753   48.484   1.1081 0.9174957 1.544048 
1 1 1   23    8   15 o   38.794   0.7994  202.364   8.3296  209.273   11.652  195.145   11.912   39.429   1.1003   38.070   1.1649 1.359619 1.602405 
1 1 1   23    8   16 o   57.865   0.7789  450.226   12.105  457.545   17.018  442.730   17.223   58.299   1.0868   57.344   1.1182 0.9556808 1.559326 
1 1 1   23    8   17 o   44.347   0.8304  264.509   9.8917  275.957   13.940  252.900   14.039   45.267   1.1465   43.328   1.2063 1.938835 1.664273 
1 1 1   23    8   18 o   21.467   1.1117   62.226   6.3880   71.927   8.7146   50.959   9.3914   23.048   1.4146   19.322   1.8315 3.726009 2.314170 
1 1 1   23    8   19 o   18.169   1.2764   44.722   6.1895   41.940   8.4350   47.966   9.1106   17.511   1.8200   18.737   1.8338 -1.225809 2.583634 
1 1 1   23    8   20 o   38.126   0.8331  195.548   8.5310  200.932   11.870  189.796   12.270   38.618   1.1443   37.525   1.2174 1.093418 1.670778 
1 1 1   23    8   21 o   35.622   0.8529  170.735   8.1602  180.297   11.321  160.397   11.772   36.578   1.1524   34.488   1.2709 2.090427 1.715553 
1 1 1   23    8   22 o   27.054   1.0011   98.559   7.2744  103.970   9.9122   92.243   10.709   27.758   1.3295   26.081   1.5355 1.677256 2.031083 
1 1 1   23    8   23 o   29.316   1.0141  115.747   7.9851  110.321   11.580  120.666   11.025   28.531   1.5166   29.897   1.3730 -1.366076 2.045789 
1 1 1   23    8   24 o   14.267   2.1414   28.283   7.9525   25.679   11.723   30.503   10.824   13.365   3.2881   14.665   2.8507 -1.299878 4.351851 
1 1 1   23    8   25 o   39.416   0.8500  209.086   8.9984  213.365   12.492  204.471   12.973   39.779   1.1692   38.931   1.2407 0.8478394 1.704774 
1 1 1   23    8   26 o   7.5998   2.6029   7.2967   6.3977   10.370   9.2855   4.5192   8.8274   9.0566   3.1340   7.5058   2.9641 1.550817 4.313644 
1 1 1   23    8   27 o   72.197   0.8831  701.764   17.124  692.000   25.025  710.362   23.482   71.588   1.3015   72.560   1.2049 -0.9716415 1.773582 
1 1 1   23    8   28 o   33.646   0.9981  152.542   9.0197  155.527   12.780  149.579   12.731   33.918   1.4029   33.260   1.4252 0.6583672 1.999785 
1 1 1   23    8   29 o   28.341   1.0354  108.284   7.8814  109.579   10.759  106.784   11.578   28.464   1.4073   28.038   1.5434 0.4266376 2.088659 
1 1 1   23    8   30 f   43.541   0.8578  255.318   10.032  253.211   13.838  257.651   14.564   43.306   1.1897   43.673   1.2416 -0.3676376 1.719603 
1 1 1   23    8   31 o   47.688   0.8429  306.286   10.797  307.442   14.986  305.039   15.568   47.714   1.1694   47.516   1.2198 0.1983681 1.689811 
1 1 1   23    8   32 o   53.805   0.8331  389.948   12.040  380.840   16.602  400.053   17.486   53.098   1.1641   54.412   1.1965 -1.313976 1.669339 
1 1 1   23    8   33 o   38.272   0.9556  197.519   9.8235  203.506   12.734  188.717   15.439   38.797   1.2220   37.287   1.5416 1.510258 1.967190 
1 1 1   23    8   34 o   45.994   0.9692  285.350   11.973  286.666   16.201  283.767   17.773   46.016   1.3108   45.743   1.4466 0.2731628 1.952108 
1 1 1   23    8   35 o   26.764   1.1661   96.824   8.3826  100.902   10.713   90.384   13.462   27.231   1.4701   25.633   1.9705 1.597853 2.458457 
1 1 1   23    8   36 o   29.667   1.1082  118.903   8.8305  116.466   11.250  122.815   14.253   29.303   1.4293   29.960   1.7792 -0.6567268 2.282247 
1 1 1   23    8   37 o   30.372   1.0880  124.599   8.8751  128.858   12.033  119.518   13.144   30.816   1.4537   29.588   1.6606 1.228762 2.207039 
1 1 1   23    8   38 o   17.895   1.5572   43.846   7.4100   46.730   9.8121   40.017   11.304   18.362   2.0231   16.806   2.5873 1.555473 3.284370 
1 1 1   23    8   39 o   28.685   1.0863  111.191   8.3698  115.927   11.238  105.294   12.542   29.223   1.4318   27.743   1.6912 1.479935 2.215896 
1 1 1   23    8   40 o   13.699   2.0157   26.288   7.1950   24.940   9.6115   28.008   10.851   13.108   2.8140   13.851   3.0034 -0.7425413 4.115710 
1 1 1   23    8   41 o   23.367   1.5800   74.782   9.8578   78.369   12.079   67.627   17.059   23.820   1.9038   21.668   3.0127 2.151531 3.563816 
1 1 1   23    8   42 o   5.5766   2.5242  -3.8620   8.1167 -11.3108   10.894   5.4320   12.169   5.7077   2.6977   8.4226   3.4268 -2.714849 4.361271 
1 1 1   23    8   43 o   24.359   1.7166   81.923   11.159   88.257   15.801   75.621   15.761   24.980   2.3840   23.000   2.5968 1.980236 3.525163 
1 1 1   23    8   44 o   14.287   2.5615   29.756   9.4681   23.638   12.181   39.095   15.050   12.391   3.5037   15.894   3.6078 -3.503053 5.029140 
1 1 1   23    8   45 o   24.009   1.8572   80.566   11.883   93.212   16.317   66.284   17.340   25.505   2.4105   20.999   3.1735 4.506033 3.985132 
1 1 1   23    8   46 o   12.139   3.9424   23.727   14.711   25.806   18.841   20.480   23.543   12.557   4.4553   11.945   4.7996 0.6118946 6.548675 
1 1 1   23    8   47 o   11.212   3.9917   19.937   15.137   6.2483   18.531   47.390   26.243   9.3956   4.0478   15.668   5.2721 -6.272800 6.646761 
1 1 1   23    8   48 o   5.8155   2.7823 -13.1666   12.315 -18.0665   18.725  -9.4319   16.347   7.0801   3.3987   7.2100   3.3752 -0.1299124 4.789892 
1 1 1   23    9  -43 o   23.468   4.6218   90.450   28.096   0.0000   0.0000   90.450   28.096  ?   ?    23.468   4.6218 0.000000 4.621758 
1 1 1   23    9  -42 o   9.6291   3.9930   7.2713   16.936   0.0000   0.0000   7.2713   16.936  ?   ?    9.6291   3.9930 0.000000 3.993032 
1 1 1   23    9  -41 o   14.497   3.2083   31.359   12.162   33.636   17.515   29.239   16.901   14.654   4.2205   13.732   4.1955 0.9221830 5.951050 
1 1 1   23    9  -40 o   24.708   1.7315   83.970   11.418  101.436   14.209   52.132   19.184   27.077   1.9672   18.484   3.9817 8.593435 4.441131 
1 1 1   23    9  -39 o   12.857   2.9222   24.167   9.8622   16.037   12.486   37.653   16.082   10.741   3.6364   15.781   3.8323 -5.040627 5.282952 
1 1 1   23    9  -38 o   20.315   1.7372   56.739   9.3879   39.884   13.272   73.617   13.281   16.569   3.0960   23.020   2.1738 -6.451052 3.782946 
1 1 1   23    9  -37 f   16.543   2.4477   38.639   10.547   33.995   16.536   41.826   13.695   15.015   4.0202   16.989   3.1161 -1.973659 5.086454 
1 1 1   23    9  -36 o   39.303   1.1653  208.893   12.302  221.376   17.306  196.143   17.490   40.339   1.5973   37.932   1.7167 2.406265 2.344824 
1 1 1   23    9  -35 f   16.682   2.3916   39.161   10.409   45.152   12.397   24.841   19.167   17.842   2.6688   13.195   4.5053 4.647339 5.236428 
1 1 1   23    9  -34 o   24.293   1.9766   81.305   12.785   78.153   19.964   83.497   16.647   23.315   3.2787   24.410   2.5782 -1.095331 4.170909 
1 1 1   23    9  -33 o   54.665   1.0522  403.489   15.449  398.509   21.936  408.390   21.760   54.172   1.5076   54.852   1.4770 -0.6796341 2.110565 
1 1 1   23    9  -32 o   48.100   1.0601  312.372   13.696  298.539   19.302  326.397   19.436   46.886   1.5327   49.045   1.4754 -2.158840 2.127440 
1 1 1   23    9  -31 o   13.312   3.2296   25.869   11.429   25.732   16.318   26.002   16.013   13.277   4.1336   13.325   4.0860 -0.4790211E-01 5.812240 
1 1 1   23    9  -30 o   32.443   1.2016  142.240   10.470  133.240   14.593  151.788   15.031   31.245   1.7459   33.374   1.6823 -2.128714 2.424523 
1 1 1   23    9  -29 o   47.557   1.0410  305.074   13.296  299.546   18.654  310.784   18.958   47.019   1.4771   47.894   1.4737 -0.8748856 2.086544 
1 1 1   23    9  -28 o   40.039   1.0807  216.264   11.622  207.143   16.379  225.512   16.494   39.091   1.5600   40.801   1.5051 -1.709534 2.167662 
1 1 1   23    9  -27 o   24.773   1.3931   83.259   9.2317   78.391   13.042   88.148   13.070   23.894   2.0520   25.377   1.9320 -1.483492 2.818399 
1 1 1   23    9  -26 o   43.528   1.0448  255.405   12.215  260.362   17.338  250.521   17.211   43.867   1.4715   43.026   1.4893 0.8408890 2.093646 
1 1 1   23    9  -25 o   31.349   1.4165  132.857   11.927  132.991   16.474  132.709   17.291   31.208   1.9756   31.147   2.0788 0.6068420E-01 2.867775 
1 1 1   23    9  -24 o   6.3657   2.7757  -1.4330   8.9303 -17.5388   14.522   8.3614   11.325   6.4476   3.0670   8.9922   3.4089 -2.544615 4.585521 
1 1 1   23    9  -23 o   35.956   1.3500  174.592   13.038  181.012   21.726  170.979   16.299   36.371   2.2348   35.523   1.7083 0.8477440 2.812963 
1 1 1   23    9  -22 o   59.368   0.9956  474.720   15.876  487.508   22.709  462.496   22.203   60.074   1.4074   58.511   1.4128 1.562637 1.994192 
1 1 1   23    9  -21 o   25.849   1.5512   90.673   10.720   91.326   12.852   89.179   19.436   25.884   1.8610   25.307   2.9125 0.5766106 3.456285 
1 1 1   23    9  -20 o   53.762   1.1667  389.642   16.847  400.828   20.402  365.662   29.872   54.484   1.3942   51.847   2.1451 2.636559 2.558315 
1 1 1   23    9  -19 o   15.834   2.2165   34.754   9.1684   36.431   11.255   31.447   15.806   16.107   2.6970   14.737   3.9236 1.370406 4.761093 
1 1 1   23    9  -18 o   22.867   1.3919   70.837   8.5081   69.327   11.810   72.467   12.267   22.523   1.9722   23.024   2.0036 -0.5016556 2.811403 
1 1 1   23    9  -17 o   42.107   0.8065  238.497   9.1207  234.286   11.182  246.867   15.766   41.716   0.9980   42.773   1.3723 -1.057762 1.696833 
1 1 1   23    9  -16 o   53.296   0.8195  382.086   11.731  376.706   14.594  391.910   19.721   52.895   1.0272   53.900   1.3622 -1.004898 1.706107 
1 1 1   23    9  -15 o   24.174   0.8503   78.615   5.5212   77.670   7.5378   79.708   8.1100   24.011   1.1688   24.287   1.2475 -0.2760620 1.709461 
1 1 1   23    9  -14 o   59.501   0.7993  476.139   12.775  477.132   19.708  475.420   16.776   59.505   1.2331   59.426   1.0510 0.7941818E-01 1.620260 
1 1 1   23    9  -13 o   23.367   1.0470   73.501   6.5711   65.672   10.526   78.501   8.4117   21.966   1.7999   24.099   1.3044 -2.132980 2.222880 
1 1 1   23    9  -12 o   17.268   1.1556   40.334   5.3287   42.742   7.5716   37.971   7.5006   17.721   1.6083   16.681   1.6978 1.040407 2.338575 
1 1 1   23    9  -11 o   17.212   1.2006   40.092   5.5157   34.562   8.1693   44.725   7.4774   15.865   1.9587   18.141   1.5495 -2.275978 2.497496 
1 1 1   23    9  -10 o   53.001   0.7316  377.631   10.415  391.516   15.013  364.750   14.460   53.939   1.0362   52.063   1.0341 1.876205 1.463948 
1 1 1   23    9   -9 o   24.407   1.1453   80.195   7.5082   85.252   14.099   78.194   8.8706   25.005   2.1192   24.049   1.3791 0.9563236 2.528398 
1 1 1   23    9   -8 o   20.519   1.2428   56.904   6.8168   54.668   9.4531   59.327   9.8393   20.043   1.7744   20.886   1.7706 -0.8437309 2.506648 
1 1 1   23    9   -7 o   20.439   1.0537   56.357   5.7649   55.488   8.6760   57.044   7.7141   20.218   1.6111   20.527   1.4077 -0.3089027 2.139408 
1 1 1   23    9   -6 o   59.084   0.7482  469.260   11.874  464.009   16.816  474.482   16.768   58.724   1.0661   59.384   1.0513 -0.6606216 1.497287 
1 1 1   23    9   -5 o   17.832   1.1409   42.968   5.4356   43.498   7.9051   42.492   7.4861   17.880   1.6652   17.680   1.5936 0.1999626 2.304921 
1 1 1   23    9   -4 o   32.432   0.8004  141.405   6.9722  140.068   9.9848  142.678   9.7401   32.260   1.1523   32.562   1.1137 -0.3013954 1.602556 
1 1 1   23    9   -3 o   39.645   0.8090  211.304   8.6143  221.375   13.320  204.065   11.294   40.552   1.2230   38.944   1.0797 1.607342 1.631383 
1 1 1   23    9   -2 o   46.914   0.7875  295.872   9.9230  303.553   13.431  286.639   14.725   47.501   1.0527   46.147   1.1880 1.353477 1.587291 
1 1 1   23    9   -1 o   61.361   0.8009  506.170   13.200  504.572   17.771  508.137   19.716   61.239   1.0804   61.442   1.1947 -0.2033005 1.610763 
1 1 1   23    9    0 o   67.681   0.8554  615.893   15.549  626.412   20.232  600.713   24.305   68.231   1.1040   66.784   1.3550 1.446930 1.747772 
1 1 1   23    9    1 o   63.668   0.8022  544.949   13.718  553.200   18.751  535.446   20.122   64.121   1.0888   63.073   1.1878 1.048611 1.611314 
1 1 1   23    9    2 o   35.521   0.8651  169.645   8.2530  159.326   11.591  180.257   11.754   34.401   1.2545   36.595   1.1958 -2.194050 1.733123 
1 1 1   23    9    3 o   41.854   0.7948  235.497   8.9351  226.214   12.217  246.173   13.101   41.001   1.1094   42.769   1.1405 -1.768185 1.591056 
1 1 1   23    9    4 o   77.023   0.8183  797.592   16.928  809.266   24.038  786.107   23.843   77.543   1.1541   76.424   1.1615 1.118660 1.637443 
1 1 1   23    9    5 o   18.793   1.1495   47.710   5.7742   59.860   8.1416   35.413   8.1905   21.026   1.4505   16.075   1.9359 4.951321 2.419069 
1 1 1   23    9    6 o   19.623   1.1579   52.007   6.0754   53.883   8.7205   50.238   8.4690   19.918   1.6448   19.226   1.6561 0.6915894 2.334101 
1 1 1   23    9    7 o   78.229   0.8687  822.937   18.254  809.065   24.471  840.338   27.407   77.525   1.1752   78.990   1.2918 -1.464478 1.746389 
1 1 1   23    9    8 o   27.862   0.9132  104.408   6.8342  106.879   9.5607  101.825   9.7729   28.171   1.2636   27.493   1.3235 0.6779041 1.829791 
1 1 1   23    9    9 o   17.579   1.3401   41.875   6.2794   36.902   8.2865   48.583   9.6236   16.412   1.9159   18.860   1.9269 -2.447384 2.717240 
1 1 1   23    9   10 o   36.091   0.8219  175.151   7.9671  182.289   11.264  168.006   11.270   36.797   1.1397   35.322   1.1879 1.474731 1.646242 
1 1 1   23    9   11 o   11.239   2.1827   17.696   6.3512   17.604   8.6212   17.806   9.3922   11.150   2.8637   11.226   3.0400 -0.7649899E-01 4.176442 
1 1 1   23    9   12 o   5.0241   2.1787  -0.7934   5.4393   6.9764   7.2813 -10.6039   8.1819   7.7346   2.7669   4.8094   2.2917 2.925156 3.592760 
1 1 1   23    9   13 o   42.712   0.7833  245.319   8.9857  249.251   12.650  241.314   12.766   43.026   1.0947   42.333   1.1228 0.6934471 1.568072 
1 1 1   23    9   14 o   64.926   0.7915  566.899   13.803  565.937   19.337  567.898   19.709   64.827   1.1105   64.936   1.1300 -0.1090851 1.584361 
1 1 1   23    9   15 o   90.208   0.8987  1094.87   21.776  1096.33   30.677  1093.39   30.915   90.185   1.2664   90.061   1.2780 0.1240845 1.799240 
1 1 1   23    9   16 o   46.548   0.8389  291.482   10.489  272.776   14.408  312.571   15.299   44.991   1.1923   48.163   1.1826 -3.171478 1.679368 
1 1 1   23    9   17 o   46.034   0.7879  285.040   9.7414  299.936   13.656  269.608   13.900   47.190   1.0774   44.731   1.1570 2.459362 1.580951 
1 1 1   23    9   18 o   47.947   0.7892  309.239   10.163  308.681   14.171  309.829   14.584   47.867   1.1022   47.952   1.1324 -0.8468628E-01 1.580240 
1 1 1   23    9   19 o   27.058   0.9838   98.580   7.1495  105.288   9.8631   91.154   10.378   27.935   1.3146   25.932   1.4964 2.002794 1.991812 
1 1 1   23    9   20 o   40.176   0.8558  217.214   9.2350  216.386   12.375  218.255   13.873   40.066   1.1500   40.221   1.2842 -0.1543884 1.723841 
1 1 1   23    9   21 o   32.481   0.9230  142.034   8.0524  150.387   11.215  133.145   11.569   33.388   1.2506   31.402   1.3716 1.986570 1.856169 
1 1 1   23    9   22 o   33.601   0.9842  152.059   8.8826  160.455   12.460  143.382   12.667   34.473   1.3457   32.574   1.4478 1.899277 1.976581 
1 1 1   23    9   23 o   43.457   0.9959  254.385   11.624  246.422   17.092  261.238   15.856   42.691   1.4906   43.984   1.3422 -1.292782 2.005847 
1 1 1   23    9   24 o   18.035   1.6090   44.379   7.7122   46.226   12.366   43.204   9.8662   18.186   2.6061   17.690   2.1187 0.4958019 3.358655 
1 1 1   23    9   25 o   10.808   2.4227   16.602   6.8587   17.896   10.219   15.541   9.2521   11.213   3.2222   10.492   3.0808 0.7212315 4.457989 
1 1 1   23    9   26 o   42.662   0.9002  245.111   10.315  244.681   15.169  245.481   14.069   42.555   1.3271   42.643   1.2284 -0.8794403E-01 1.808373 
1 1 1   23    9   27 o   14.000   1.9941   27.213   7.2865   19.133   10.529   34.639   10.094   11.549   3.2546   15.709   2.4743 -4.159454 4.088363 
1 1 1   23    9   28 o   44.533   0.8918  267.154   10.667  257.176   15.463  276.213   14.733   43.615   1.3200   45.224   1.2130 -1.608887 1.792690 
1 1 1   23    9   29 o   11.547   2.2941   18.899   6.8640   17.035   9.6922   20.775   9.7221   10.908   3.1390   11.988   3.0206 -1.080420 4.356352 
1 1 1   23    9   30 o   42.886   0.9712  248.012   11.187  247.010   15.368  249.141   16.317   42.721   1.3394   42.885   1.4166 -0.1641388 1.949507 
1 1 1   23    9   31 o   14.245   2.0345   28.294   7.5632   41.452   10.801   15.637   10.594   17.190   2.4053   10.551   3.3374 6.638994 4.113850 
1 1 1   23    9   32 o   48.334   0.9105  314.975   11.820  305.023   15.364  329.407   18.502   47.494   1.2044   49.297   1.3974 -1.803207 1.844754 
1 1 1   23    9   33 o   19.245   1.6217   50.726   8.3049   35.539   10.796   72.738   12.998   15.810   2.6353   22.925   2.1354 -7.115358 3.391865 
1 1 1   23    9   34 o   21.534   1.3133   63.041   7.5598   62.977   10.159   63.121   11.316   21.415   1.7825   21.381   1.9935 0.3389740E-01 2.674204 
1 1 1   23    9   35 f   23.802   1.2205   76.857   7.7768   69.007   10.584   86.065   11.464   22.424   1.7718   25.074   1.7125 -2.649939 2.464174 
1 1 1   23    9   36 o   11.420   2.4753   18.714   7.3732   14.864   9.7518   23.852   11.266   10.246   3.1964   12.745   3.2738 -2.498628 4.575398 
1 1 1   23    9   37 f   45.429   0.8954  278.328   10.926  259.790   14.637  301.659   16.420   43.805   1.2440   47.187   1.2956 -3.381954 1.796152 
1 1 1   23    9   38 o   30.968   1.0606  129.594   8.8219  133.821   11.784  124.205   13.307   31.398   1.3973   30.143   1.6499 1.255241 2.162073 
1 1 1   23    9   39 o   27.641   1.1176  103.367   8.2970   93.485   11.051  116.133   12.561   26.145   1.5812   29.140   1.6111 -2.995634 2.257364 
1 1 1   23    9   40 o   6.6492   2.7685   1.9544   8.1887   3.7534   12.640   0.6533   10.749   8.2699   3.4412   7.2309   3.0984 1.038976 4.630546 
1 1 1   23    9   41 o   23.302   1.6568   74.740   10.302   63.593   12.857   94.737   17.220   21.248   2.2889   25.865   2.5104 -4.616501 3.397240 
1 1 1   23    9   42 o   29.803   1.2392  120.808   9.9197  125.439   13.426  115.240   14.721   30.174   1.6630   28.799   1.9140 1.374224 2.535520 
1 1 1   23    9   43 o   23.636   1.9986   78.341   12.569   97.525   16.127   48.660   20.059   26.206   2.3150   17.261   4.3333 8.945435 4.912869 
1 1 1   23    9   44 o   6.8586   3.1317  -5.4917   12.839   4.8590   20.114 -12.6076   16.678   9.6812   4.1939   7.1897   3.3795 2.491498 5.386055 
1 1 1   23    9   45 o   8.2916   3.6201   1.7762   15.231  -2.7849   19.906   8.2180   23.657   8.7240   3.9505   10.438   4.5350 -1.714003 6.014369 
1 1 1   23    9   46 o   11.416   3.6665   21.096   12.749   34.309   19.041   10.360   17.164   13.909   4.4823   9.7064   4.0220 4.202655 6.022240 
1 1 1   23    9   47 o   7.3336   3.2136   1.0210   12.102   6.6599   17.893  -3.7331   16.430   9.1867   3.9676   7.7448   3.5388 1.441897 5.316507 
1 1 1   23   10  -42 o   23.823   4.8747   95.940   30.141   0.0000   0.0000   95.940   30.141  ?   ?    23.823   4.8747 0.000000 4.874749 
1 1 1   23   10  -41 o   30.698   2.7058  135.582   22.081   0.0000   0.0000  135.582   22.081  ?   ?    30.698   2.7058 0.000000 2.705785 
1 1 1   23   10  -40 o   27.714   1.8967  106.498   14.033  120.996   19.607   91.270   20.094   29.204   2.5244   25.030   3.0521 4.174232 3.960834 
1 1 1   23   10  -39 o   11.217   3.4593   18.532   11.459   10.702   16.261   26.258   16.152   10.150   4.0183   13.135   4.1163 -2.984543 5.752440 
1 1 1   23   10  -38 f   10.316   3.2128   15.304   9.8571   12.349   12.267   20.688   16.560   9.8558   3.5827   12.065   4.1846 -2.209308 5.508785 
1 1 1   23   10  -37 o   7.7310   2.9979   5.8278   8.8942   2.9358   12.383   8.9097   12.783   8.0994   3.3911   9.2667   3.5938 -1.167275 4.941196 
1 1 1   23   10  -36 o   35.804   1.3545  173.903   13.026  174.128   20.889  173.760   16.662   35.472   2.2034   35.673   1.7389 -0.2009773 2.806951 
1 1 1   23   10  -35 o   23.419   1.6004   74.996   10.006   88.803   14.201   61.382   14.101   25.335   2.1061   20.874   2.5694 4.460838 3.322246 
1 1 1   23   10  -34 o   47.612   1.1682  306.629   14.939  309.114   19.729  303.289   22.873   47.679   1.5405   47.119   1.8073 0.5607376 2.374804 
1 1 1   23   10  -33 o   9.1528   3.4846   9.0913   11.865   29.118   17.817  -6.8666   15.904   13.957   4.3150   7.7958   3.5306 6.161251 5.575318 
1 1 1   23   10  -32 f   5.3774   2.4729  -5.6889   8.2002  -7.1096   11.325  -4.1233   11.889   6.3683   2.9203   6.9336   3.1035 -0.5653176 4.261422 
1 1 1   23   10  -31 o   38.587   1.1438  201.281   11.854  208.794   16.796  193.825   16.732   39.180   1.5961   37.732   1.6510 1.447269 2.296392 
1 1 1   23   10  -30 o   54.202   1.2056  397.331   17.552  395.055   21.862  401.457   29.440   53.939   1.5090   54.137   2.0247 -0.1983109 2.525143 
1 1 1   23   10  -29 o   8.8158   3.1990   9.3354   9.7744   8.0506   16.830   9.9892   12.007   10.017   4.0464   9.4003   3.5217 0.6170464 5.364278 
1 1 1   23   10  -28 o   20.002   2.0513   55.272   10.864   34.464   15.390   75.944   15.340   15.258   3.7758   23.342   2.4850 -8.084134 4.520175 
1 1 1   23   10  -27 o   22.902   1.5707   71.488   9.6036   60.449   14.001   81.296   13.197   20.789   2.5617   24.312   2.0399 -3.522869 3.274639 
1 1 1   23   10  -26 o   10.579   2.8764   16.035   8.3883   4.5658   11.835   27.611   11.891   8.3270   3.3828   13.790   3.2615 -5.462550 4.699024 
1 1 1   23   10  -25 o   17.339   1.8232   41.312   8.3635   38.228   11.830   44.393   11.825   16.428   2.7804   17.800   2.5460 -1.371944 3.769994 
1 1 1   23   10  -24 o   17.020   1.8509   39.829   8.3253   34.449   11.694   45.357   11.855   15.551   2.9066   18.012   2.5195 -2.460975 3.846556 
1 1 1   23   10  -23 o   6.0842   2.6209  -0.4785   7.7672 -12.1807   11.000   11.156   10.969   5.7372   2.7114   9.5360   3.3976 -3.798738 4.346900 
1 1 1   23   10  -22 o   55.989   1.1657  422.879   17.530  437.695   30.926  415.865   21.279   56.704   2.0306   55.460   1.4285 1.243164 2.482745 
1 1 1   23   10  -21 o   44.646   1.0186  268.574   12.215  272.303   17.529  265.054   17.030   44.878   1.4543   44.281   1.4319 0.5968475 2.040866 
1 1 1   23   10  -20 o   35.887   1.0838  173.593   10.447  175.489   15.122  171.862   14.448   36.012   1.5634   35.647   1.5090 0.3648567 2.172889 
1 1 1   23   10  -19 o   19.471   1.7262   51.766   8.9341   50.793   11.873   53.035   13.564   19.150   2.3582   19.497   2.6597 -0.3462734 3.554591 
1 1 1   23   10  -18 o   73.373   1.0650  725.416   20.989  726.760   22.054  712.500   68.377   73.428   1.1182   71.510   3.5600 1.917892 3.731480 
1 1 1   23   10  -17 o   7.7765   2.2721   8.3967   5.0436   8.1875   5.1833   12.120   21.868   7.7101   2.3163   11.738   4.6558 -4.027558 5.200143 
1 1 1   23   10  -16 o   36.410   0.8426  178.391   8.2405  182.476   10.057  170.042   14.376   36.808   1.0172   35.471   1.5090 1.337608 1.819829 
1 1 1   23   10  -15 o   13.279   1.3284   24.028   4.6743   16.313   6.0057   35.884   7.4449   10.769   2.1516   16.189   1.7394 -5.420259 2.766761 
1 1 1   23   10  -14 o   26.342   0.8560   93.366   6.0565  100.689   8.1974   84.563   8.9872   27.337   1.1164   24.998   1.3434 2.338520 1.746779 
1 1 1   23   10  -13 o   26.679   0.8547   95.764   6.1243  103.794   8.3851   86.582   8.9662   27.756   1.1248   25.301   1.3240 2.455326 1.737281 
1 1 1   23   10  -12 o   66.085   0.8130  587.462   14.430  582.210   21.421  591.826   19.525   65.724   1.2135   66.286   1.0967 -0.5625076 1.635607 
1 1 1   23   10  -11 o   12.039   1.5591   19.900   4.9233   15.173   6.6826   25.511   7.2810   10.352   2.4428   13.564   2.0635 -3.212566 3.197740 
1 1 1   23   10  -10 o   58.955   0.8496  467.551   13.453  477.619   19.999  459.229   18.181   59.528   1.2508   58.386   1.1594 1.142406 1.705512 
1 1 1   23   10   -9 o   8.5518   2.2470   10.293   5.2285   14.391   7.8566   7.0347   7.0048   10.109   2.7983   7.6787   2.7174 2.430774 3.900582 
1 1 1   23   10   -8 f   36.325   0.8343  177.479   8.1397  180.290   12.677  175.507   10.617   36.573   1.2905   36.103   1.0949 0.4699707 1.692412 
1 1 1   23   10   -7 o   28.432   1.1488  108.870   8.7731  115.400   25.970  108.029   9.3211   28.766   3.4287   28.317   1.2256 0.4494953 3.641191 
1 1 1   23   10   -6 o   56.997   0.8155  436.891   12.485  456.435   18.074  419.055   17.266   58.217   1.1559   55.783   1.1524 2.434280 1.632187 
1 1 1   23   10   -5 o   28.267   0.8982  107.484   6.8192  112.560   10.307  103.533   9.0939   28.898   1.3279   27.723   1.2213 1.175285 1.804156 
1 1 1   23   10   -4 o   40.305   0.8019  218.449   8.6812  226.084   13.410  212.940   11.390   40.969   1.2187   39.774   1.0662 1.194702 1.619226 
1 1 1   23   10   -3 o   46.564   0.7925  291.552   9.9111  292.029   13.318  290.960   14.838   46.579   1.0645   46.481   1.1885 0.9829330E-01 1.595548 
1 1 1   23   10   -2 o   54.819   0.7969  404.089   11.733  387.798   17.451  417.528   15.850   53.659   1.2108   55.697   1.0595 -2.037788 1.608945 
1 1 1   23   10   -1 o   39.626   0.7815  211.123   8.3177  221.577   11.971  201.366   11.565   40.571   1.0986   38.675   1.1133 1.895870 1.564116 
1 1 1   23   10    0 o   28.162   0.9482  106.698   7.1719  116.529   9.8457   95.584   10.468   29.412   1.2463   26.582   1.4719 2.830181 1.928714 
1 1 1   23   10    1 o   85.479   0.9971  983.183   22.891  980.756   30.692  986.226   34.365   85.307   1.3395   85.507   1.4963 -0.2001877 2.008303 
1 1 1   23   10    2 o   49.468   0.8116  329.069   10.784  334.695   14.271  321.578   16.466   49.866   1.0655   48.858   1.2548 1.008118 1.646108 
1 1 1   23   10    3 o   79.793   0.8730  856.364   18.711  866.485   25.443  844.444   27.612   80.213   1.1809   79.163   1.2986 1.049805 1.755308 
1 1 1   23   10    4 o   94.416   0.9105  1199.18   23.089  1189.96   32.524  1208.55   32.783   93.974   1.2886   94.705   1.2888 -0.7310486 1.822466 
1 1 1   23   10    5 o   12.901   1.6465   22.836   5.5752   29.777   7.9302   16.051   7.8397   14.686   2.0677   10.651   2.7284 4.035394 3.423339 
1 1 1   23   10    6 o   36.715   0.8110  181.276   7.9978  191.861   11.417  171.077   11.207   37.747   1.1261   35.640   1.1707 2.106964 1.624403 
1 1 1   23   10    7 o   26.172   0.9782   92.176   6.8762   96.696   9.8397   87.862   9.6131   26.744   1.3744   25.485   1.4098 1.258825 1.968943 
1 1 1   23   10    8 f   57.220   0.7739  440.275   11.893  427.417   16.635  453.720   17.010   56.340   1.0993   58.049   1.0910 -1.708855 1.548793 
1 1 1   23   10    9 o   65.075   0.8283  569.593   14.478  568.490   21.353  570.533   19.697   64.953   1.2240   65.086   1.1267 -0.1333389 1.663614 
1 1 1   23   10   10 o   12.181   2.0665   20.666   6.5194   22.007   8.1372   18.264   10.894   12.494   2.5119   11.405   3.3414 1.089761 4.180250 
1 1 1   23   10   11 o   21.977   1.0914   65.045   6.4419   58.326   8.8049   72.785   9.4498   20.717   1.5946   23.166   1.5273 -2.449404 2.208028 
1 1 1   23   10   12 o   34.206   0.8528  157.410   7.8348  164.012   10.899  150.352   11.270   34.889   1.1631   33.395   1.2565 1.493809 1.712184 
1 1 1   23   10   13 o   27.829   0.9707  104.256   7.2554  106.075   9.8778  102.124   10.692   28.043   1.3114   27.464   1.4546 0.5788803 1.958480 
1 1 1   23   10   14 o   66.015   0.8387  586.334   14.870  602.479   21.790  572.261   20.343   66.850   1.2136   65.162   1.1624 1.687599 1.680415 
1 1 1   23   10   15 o   53.959   0.8141  391.712   11.799  391.147   16.029  392.381   17.431   53.879   1.1077   53.948   1.2030 -0.6885147E-01 1.635277 
1 1 1   23   10   16 o   66.434   0.8501  593.901   15.169  614.141   22.433  576.849   20.591   67.480   1.2377   65.413   1.1720 2.066414 1.704517 
1 1 1   23   10   17 o   29.570   0.9797  117.755   7.7815  116.521   11.129  118.935   10.884   29.372   1.4107   29.680   1.3654 -0.3079624 1.963255 
1 1 1   23   10   18 o   28.956   1.1420  113.037   8.8820  115.156   13.804  111.540   11.603   29.095   1.7749   28.684   1.5114 0.4113216 2.331247 
1 1 1   23   10   19 o   37.430   0.9984  188.720   10.037  181.235   16.400  193.203   12.692   36.582   1.6692   37.840   1.2487 -1.258404 2.084576 
1 1 1   23   10   20 o   35.945   0.9402  173.996   9.0769  180.299   12.180  166.123   13.612   36.553   1.2406   35.057   1.4456 1.496376 1.904989 
1 1 1   23   10   21 o   50.024   0.8337  336.807   11.201  338.570   16.042  335.130   15.648   50.096   1.1922   49.846   1.1688 0.2507172 1.669566 
1 1 1   23   10   22 o   10.314   2.7449   15.156   7.7381   3.0251   11.309   25.836   10.611   7.9307   3.2737   13.417   3.0176 -5.486432 4.452318 
1 1 1   23   10   23 o   25.538   1.1546   87.986   7.9197   89.849   11.630   86.376   10.814   25.685   1.6954   25.200   1.6062 0.4852028 2.335427 
1 1 1   23   10   24 o   58.047   0.8640  453.721   13.470  477.928   20.024  433.711   18.205   59.488   1.2532   56.684   1.1958 2.804443 1.732150 
1 1 1   23   10   25 o   58.288   0.8696  457.557   13.614  450.986   19.940  463.295   18.632   57.771   1.2851   58.581   1.1841 -0.8103409 1.747468 
1 1 1   23   10   26 o   20.919   1.4962   59.581   8.3513   52.627   11.444   67.504   12.215   19.487   2.2264   22.139   2.0785 -2.652540 3.045817 
1 1 1   23   10   27 o   25.143   1.2308   85.433   8.3120   88.934   11.365   81.406   12.188   25.533   1.6663   24.373   1.8763 1.160652 2.509377 
1 1 1   23   10   28 o   48.405   0.9333  315.876   12.134  332.399   16.817  297.935   17.524   49.576   1.2630   46.900   1.3911 2.675556 1.878922 
1 1 1   23   10   29 o   37.586   1.0357  190.674   10.456  185.909   14.157  196.393   15.509   37.032   1.4233   38.037   1.5180 -1.005318 2.080894 
1 1 1   23   10   30 o   49.255   0.8994  327.096   11.899  335.838   17.258  319.176   16.428   49.806   1.2901   48.564   1.2594 1.242077 1.802929 
1 1 1   23   10   31 o   14.304   2.0076   28.544   7.5005   33.748   10.501   23.123   10.717   15.391   2.6349   12.570   3.1738 2.821455 4.124980 
1 1 1   23   10   32 f   25.313   1.4582   87.272   9.8724   83.160   14.187   91.132   13.747   24.497   2.1790   25.711   2.0065 -1.214443 2.962058 
1 1 1   23   10   33 o   12.590   2.2711   22.480   7.3975   17.527   10.451   27.452   10.472   11.015   3.2846   13.755   2.9246 -2.740139 4.397915 
1 1 1   23   10   34 o   6.4026   2.6205   2.3044   7.1697  -6.3339   10.267   10.526   10.016   6.0878   2.7876   9.1270   3.2474 -3.039242 4.279703 
1 1 1   23   10   35 o   16.385   1.9151   37.225   8.2688   33.256   11.648   41.258   11.740   15.152   2.9683   17.032   2.6529 -1.880039 3.981047 
1 1 1   23   10   36 o   30.802   1.1292  128.316   9.3424  123.570   13.257  132.998   13.168   30.065   1.6479   31.218   1.5755 -1.152281 2.279895 
1 1 1   23   10   37 o   6.8212   2.7400   3.4401   7.6703   15.329   10.676  -9.2453   11.028   10.406   3.3565   5.9996   2.7965 4.406382 4.368830 
1 1 1   23   10   38 f   18.360   1.8343   46.659   8.9245   50.576   13.640   43.728   11.801   18.777   2.7893   17.515   2.5863 1.262424 3.803835 
1 1 1   23   10   39 o   30.131   1.2765  123.309   10.331  130.086   16.807  119.194   13.097   30.613   2.0559   29.466   1.6616 1.147547 2.643472 
1 1 1   23   10   40 o   20.632   1.8118   59.045   9.9385   48.201   14.805   67.939   13.409   18.042   3.1710   21.933   2.3109 -3.890972 3.923703 
1 1 1   23   10   41 o   48.996   1.1778  326.355   15.500  335.038   21.312  316.605   22.585   49.386   1.6067   47.905   1.7553 1.481342 2.379579 
1 1 1   23   10   42 o   15.154   3.0208   34.560   11.864   33.307   20.373   35.202   14.594   14.130   4.6420   14.954   3.6625 -0.8240356 5.912849 
1 1 1   23   10   43 o   14.890   3.7663   35.696   15.073   35.899   19.569   35.400   23.636   14.487   4.5294   14.210   4.9954 0.2774076 6.743067 
1 1 1   23   10   44 o   9.8877   3.6197   14.151   12.554   28.024   19.038   3.4763   16.700   12.829   4.4847   8.7644   3.8090 4.064864 5.883994 
1 1 1   23   10   45 o   14.262   3.5171   33.131   13.388   27.504   20.391   37.394   17.749   12.530   4.6093   14.592   4.2620 -2.061767 6.277779 
1 1 1   23   10   46 o   12.306   3.6853   25.607   13.136   13.536   19.631   35.393   17.676   10.219   4.2735   13.975   4.2941 -3.756156 6.058210 
1 1 1   23   11  -40 o   19.633   3.7836   60.085   19.228   0.0000   0.0000   60.085   19.228  ?   ?    19.633   3.7836 0.000000 3.783602 
1 1 1   23   11  -39 o   19.081   2.8462   53.121   14.141   59.030   22.868   49.463   17.993   19.067   4.5321   17.831   3.8681 1.235394 5.958333 
1 1 1   23   11  -38 o   9.4936   3.5584   10.993   12.262   1.4359   17.168   20.945   17.519   8.9483   3.8755   12.064   4.2944 -3.116163 5.784525 
1 1 1   23   11  -37 o   18.402   2.1715   47.509   10.526   47.789   13.172   47.015   17.509   18.217   2.7800   17.583   3.8169 0.6343079 4.721997 
1 1 1   23   11  -36 o   30.549   1.3061  126.668   10.717  141.452   15.096  111.646   15.217   32.100   1.7576   28.411   2.0070 3.688637 2.667820 
1 1 1   23   11  -35 o   24.064   1.5381   79.158   9.8898   66.860   13.900   91.767   14.074   21.824   2.4116   25.748   2.0522 -3.923941 3.166596 
1 1 1   23   11  -34 o   22.724   1.7656   70.964   10.691   58.773   13.925   88.469   16.686   20.389   2.6021   25.114   2.5072 -4.724892 3.613484 
1 1 1   23   11  -33 o   47.062   1.0875  299.384   13.746  297.734   19.436  301.035   19.445   46.778   1.5469   47.040   1.5390 -0.2616577 2.182095 
1 1 1   23   11  -32 o   34.785   1.6784  164.994   15.681  180.600   26.286  156.371   19.539   35.846   2.7512   33.627   2.1750 2.219006 3.507044 
1 1 1   23   11  -31 o   5.7496   2.7008 -10.3095   10.623   3.1692   14.386 -26.4696   15.752   8.6725   3.6444   6.0993   2.9725 2.573234 4.702879 
1 1 1   23   11  -30 f   28.926   1.4166  113.563   11.006  120.722   16.204  107.432   14.996   29.587   2.0518   27.917   2.0135 1.669983 2.874690 
1 1 1   23   11  -29 o   19.677   1.8731   53.393   9.7799   46.293   13.218   61.981   14.537   18.008   2.8259   20.961   2.6408 -2.953089 3.867753 
1 1 1   23   11  -28 f   39.552   1.2486  211.733   13.265  213.085   18.330  210.248   19.220   39.539   1.7260   39.241   1.8236 0.2976570 2.510897 
1 1 1   23   11  -27 o   24.944   1.6510   85.010   10.998   85.560   18.634   84.716   13.625   24.610   2.8732   24.782   2.0657 -0.1722240 3.538752 
1 1 1   23   11  -26 o   33.760   1.1953  154.069   10.838  163.216   15.421  145.140   15.236   34.644   1.6573   32.603   1.7463 2.041565 2.407505 
1 1 1   23   11  -25 o   19.070   1.7345   49.867   8.7872   49.341   12.626   50.361   12.237   18.740   2.5766   18.972   2.4593 -0.2318707 3.561883 
1 1 1   23   11  -24 o   57.506   1.0079  445.964   15.567  441.651   21.966  450.315   22.064   57.106   1.4321   57.666   1.4245 -0.5599670 2.019973 
1 1 1   23   11  -23 o   14.267   2.1785   28.444   8.0832   25.354   11.879   31.108   11.031   13.203   3.3457   14.745   2.8885 -1.541861 4.420080 
1 1 1   23   11  -22 o   40.816   1.0429  224.643   11.433  220.949   16.308  228.214   16.033   40.390   1.5033   41.060   1.4538 -0.6698074 2.091279 
1 1 1   23   11  -21 o   53.338   1.1407  383.859   16.341  369.973   28.268  390.829   20.027   52.103   2.0199   53.759   1.3870 -1.655865 2.450282 
1 1 1   23   11  -20 o   9.4516   2.8964   12.409   8.0480   1.1134   12.277   20.920   10.657   7.8825   3.3424   12.053   3.2275 -4.170609 4.646329 
1 1 1   23   11  -19 o   23.168   0.9879   72.326   6.1474   72.531   7.0736   71.691   12.427   23.189   1.1357   22.856   2.0459 0.3334484 2.340007 
1 1 1   23   11  -18 o   50.916   0.8335  348.951   11.398  347.140   14.208  352.221   19.092   50.751   1.0423   51.050   1.3924 -0.2985916 1.739338 
1 1 1   23   11  -17 o   12.464   1.6486   21.400   5.3834   17.612   6.0742   35.275   11.624   11.198   2.0966   15.778   2.8476 -4.579909 3.536241 
1 1 1   23   11  -16 o   8.6628   2.1717   10.623   5.0434   6.2910   5.9174   22.129   9.6428   7.1611   2.5005   12.428   2.9355 -5.267129 3.856095 
1 1 1   23   11  -15 o   40.769   0.8204  223.676   8.9833  215.512   11.298  237.707   14.812   39.991   1.0519   41.960   1.3143 -1.968815 1.683360 
1 1 1   23   11  -14 o   35.301   0.8998  167.764   8.5317  157.431   10.087  193.736   15.992   34.176   1.0989   37.841   1.5734 -3.664364 1.919179 
1 1 1   23   11  -13 o   23.955   1.0197   77.303   6.5609   71.402   9.6955   82.288   8.9110   22.920   1.5847   24.651   1.3510 -1.730993 2.082411 
1 1 1   23   11  -12 o   47.162   0.7497  299.195   9.4970  309.953   13.397  288.328   13.465   47.967   1.0399   46.257   1.0838 1.709782 1.501948 
1 1 1   23   11  -11 o   82.155   0.8792  908.394   19.401  897.185   26.074  922.297   29.039   81.573   1.1901   82.672   1.3078 -1.099640 1.768179 
1 1 1   23   11  -10 o   9.5599   2.0471   12.880   5.0979   7.3407   6.9553   19.310   7.4937   7.7453   2.7106   11.681   2.4659 -3.935691 3.664406 
1 1 1   23   11   -9 o   36.072   0.8369  175.075   8.1086  168.638   12.298  180.026   10.785   35.356   1.2950   36.554   1.0985 -1.197399 1.698163 
1 1 1   23   11   -8 o   47.326   0.7996  301.297   10.164  304.583   15.467  298.800   13.485   47.531   1.2116   47.099   1.0660 0.4328117 1.613752 
1 1 1   23   11   -7 o   43.671   0.8122  256.555   9.5264  254.816   14.388  257.913   12.712   43.474   1.2322   43.757   1.0816 -0.2831078 1.639564 
1 1 1   23   11   -6 o   94.118   0.9973  1192.62   25.211  1214.67   40.314  1178.46   32.308   94.801   1.5833   93.479   1.2868 1.322906 2.040221 
1 1 1   23   11   -5 o   29.219   1.0571  114.975   8.2961   92.959   16.101  122.933   9.6800   26.034   2.3271   30.201   1.1933 -4.167719 2.615237 
1 1 1   23   11   -4 o   15.959   1.7756   34.885   7.4819   47.323   12.524   27.982   9.3298   18.446   2.5999   14.113   2.5554 4.333088 3.645463 
1 1 1   23   11   -3 o   24.020   1.0947   77.712   7.0629   66.570   12.659   82.748   8.5106   22.035   2.1669   24.740   1.2852 -2.704401 2.519399 
1 1 1   23   11   -2 o   41.504   0.8554  231.749   9.5361  230.972   16.825  232.116   11.575   41.356   1.5147   41.520   1.0379 -0.1636124 1.836184 
1 1 1   23   11   -1 o   86.742   0.9570  1012.70   22.296  1009.83   40.131  1013.99   26.816   86.402   1.7293   86.754   1.1508 -0.3519669 2.077209 
1 1 1   23   11    0 o   43.934   0.8950  259.723   10.561  241.752   21.116  265.718   12.196   42.251   1.8607   44.425   1.0221 -2.174065 2.122949 
1 1 1   23   11    1 o   17.202   1.5776   40.311   7.2078   41.220   11.548   39.731   9.2256   17.201   2.5790   16.992   2.0638 0.2089100 3.303151 
1 1 1   23   11    2 o   89.297   1.0264  1073.63   24.618  1055.12   41.413  1083.74   30.615   88.310   1.7459   89.656   1.2713 -1.345406 2.159772 
1 1 1   23   11    3 o   9.8520   2.4276   13.742   6.3823   30.995   10.846   4.6022   7.8937   14.812   2.8293   7.2611   2.8219 7.551376 3.995943 
1 1 1   23   11    4 o   57.010   0.8849  437.324   13.550  421.034   22.668  446.381   16.903   55.834   1.5115   57.568   1.0932 -1.733540 1.865412 
1 1 1   23   11    5 o   16.967   1.4774   39.162   6.6656   41.541   10.765   37.682   8.4883   17.311   2.3783   16.562   1.9452 0.7484779 3.072450 
1 1 1   23   11    6 o   28.592   1.0315  110.088   7.9214  119.405   13.045  104.645   9.9701   29.672   1.6432   27.851   1.3328 1.820198 2.115786 
1 1 1   23   11    7 o   72.300   0.9347  703.585   18.150  715.275   30.985  697.478   22.395   72.744   1.5858   71.941   1.1590 0.8020630 1.964206 
1 1 1   23   11    8 o   6.5806   2.6096   3.2423   6.8688   4.8532   9.8825   1.7367   9.5538   7.9022   3.1313   7.1740   2.9890 0.7281809 4.328834 
1 1 1   23   11    9 o   60.699   0.8989  495.869   14.655  493.684   21.140  497.890   20.334   60.493   1.3011   60.761   1.2459 -0.2685928 1.801444 
1 1 1   23   11   10 o   32.041   0.9266  138.197   7.9740  120.374   11.543  154.469   11.029   29.854   1.4395   33.846   1.2132 -3.992516 1.882549 
1 1 1   23   11   11 o   48.048   0.8503  310.662   10.973  317.970   16.604  304.995   14.621   48.548   1.2734   47.568   1.1443 0.9799576 1.712016 
1 1 1   23   11   12 o   30.820   0.9552  127.896   7.9069  134.960   11.273  121.055   11.094   31.621   1.3273   29.941   1.3795 1.679331 1.914321 
1 1 1   23   11   13 o   83.185   0.9499  931.771   21.222  943.470   32.884  923.420   27.783   83.553   1.4653   82.731   1.2503 0.8216858 1.926248 
1 1 1   23   11   14 o   45.771   0.8617  281.973   10.593  278.781   14.629  285.492   15.360   45.463   1.1980   46.000   1.2432 -0.5362968 1.726469 
1 1 1   23   11   15 o   42.307   0.8357  240.889   9.4958  236.264   12.999  246.182   13.905   41.858   1.1562   42.718   1.2119 -0.8608894 1.674970 
1 1 1   23   11   16 o   26.486   1.0454   94.535   7.4370   96.162   10.160   92.656   10.916   26.637   1.4252   26.121   1.5631 0.5160465 2.115303 
1 1 1   23   11   17 o   26.230   1.1305   92.778   7.9645   82.326   11.660  101.920   10.905   24.572   1.7788   27.412   1.4867 -2.839462 2.318223 
1 1 1   23   11   18 o   44.890   0.8282  271.233   9.9861  284.256   13.838  257.079   14.426   45.912   1.1221   43.644   1.2306 2.268177 1.665412 
1 1 1   23   11   19 o   26.151   1.0511   92.184   7.3825   87.107   10.071   98.080   10.854   25.331   1.4868   26.880   1.5095 -1.548925 2.118738 
1 1 1   23   11   20 o   35.497   1.0091  169.821   9.6213  165.903   15.142  172.475   12.460   34.989   1.6112   35.732   1.2983 -0.7427254 2.069208 
1 1 1   23   11   21 o   31.514   1.0730  133.928   9.0820  137.297   12.320  129.919   13.441   31.855   1.4399   30.914   1.6245 0.9405289 2.170788 
1 1 1   23   11   22 o   39.778   0.9586  213.232   10.242  211.733   14.011  214.953   15.010   39.577   1.3180   39.860   1.4020 -0.2827721 1.924290 
1 1 1   23   11   23 o   20.105   1.4907   55.053   7.9928   59.716   10.873   49.570   11.789   20.841   1.9656   18.865   2.3797 1.976501 3.086547 
1 1 1   23   11   24 o   24.255   1.3625   79.859   8.8407   72.333   12.178   88.243   12.854   22.938   1.9966   25.378   1.8996 -2.439976 2.755938 
1 1 1   23   11   25 o   18.582   1.6513   47.275   8.1556   52.014   10.674   40.627   12.642   19.394   2.0817   16.877   2.8931 2.517035 3.564165 
1 1 1   23   11   26 o   31.547   0.9625  134.223   8.1555  122.963   10.982  148.065   12.177   30.132   1.3570   33.062   1.3713 -2.930050 1.929202 
1 1 1   23   11   27 o   16.591   1.5299   37.690   6.7407   34.568   9.1323   41.428   9.9910   15.713   2.2261   17.231   2.2096 -1.518512 3.136573 
1 1 1   23   11   28 f   31.477   0.9894  133.710   8.3643  132.815   11.372  134.765   12.345   31.305   1.3526   31.510   1.4587 -0.2056217 1.989242 
1 1 1   23   11   29 o   23.727   1.1812   76.149   7.5278   76.844   10.001   75.240   11.434   23.717   1.5790   23.398   1.8341 0.3190899 2.420130 
1 1 1   23   11   30 f   17.414   1.5410   41.547   7.1332   29.111   9.5168   57.490   10.776   14.276   2.5768   20.385   1.9936 -6.109294 3.257936 
1 1 1   23   11   31 o   35.767   1.0044  172.736   9.6493  164.643   12.379  185.270   15.404   34.850   1.3225   36.902   1.5542 -2.052807 2.040684 
1 1 1   23   11   32 o   18.163   1.5126   45.156   7.3120   59.499   9.8022   27.162   10.979   20.800   1.7715   13.627   3.0730 7.172351 3.546999 
1 1 1   23   11   33 o   6.9072   2.6669   4.5792   7.0151   10.052   9.3082  -2.6166   10.673   8.8747   3.1333   6.7320   2.9812 2.142781 4.324934 
1 1 1   23   11   34 o   14.728   1.9584   30.242   7.5547   31.078   9.8430   29.045   11.785   14.746   2.5790   14.053   3.1946 0.6931982 4.105743 
1 1 1   23   11   35 o   23.629   1.3662   76.048   8.6337   89.263   12.048   62.096   12.379   25.489   1.7708   21.094   2.2181 4.395260 2.838236 
1 1 1   23   11   36 o   50.968   0.9057  350.654   12.398  362.265   17.301  338.395   17.777   51.687   1.2462   49.923   1.3257 1.763512 1.819509 
1 1 1   23   11   37 o   20.036   1.4203   54.914   7.5937   42.324   9.9485   72.488   11.754   17.351   2.1830   22.870   1.9316 -5.518398 2.914883 
1 1 1   23   11   38 o   17.419   1.9000   42.300   8.7448   40.674   11.546   44.487   13.392   16.796   2.6471   17.438   2.9655 -0.6422405 3.975050 
1 1 1   23   11   39 o   21.805   1.6579   65.686   9.6373   76.406   12.007   46.276   16.157   23.416   1.9262   17.401   3.5766 6.015448 4.062315 
1 1 1   23   11   40 o   12.274   3.2489   23.051   10.878   29.144   14.141   14.220   17.025   13.601   3.7499   10.625   4.1400 2.976696 5.585812 
1 1 1   23   11   41 o   25.871   2.5373   96.790   17.404   94.312   22.138  100.800   28.160   24.859   3.4051   24.788   4.3904 0.7061005E-01 5.556102 
1 1 1   23   11   42 o   12.052   3.7354   23.355   13.342 -14.9306   20.250   52.723   17.736   7.7660   3.6728   18.110   3.7690 -10.34361 5.262586 
1 1 1   23   11   43 o   11.612   3.6530   21.880   12.707   20.180   19.367   23.165   16.838   11.407   4.4237   11.841   4.2106 -0.4339590 6.107221 
1 1 1   23   11   44 o   9.3150   3.5120   12.371   11.979   14.795   18.546   10.636   15.691   10.375   4.2268   9.4443   3.8724 0.9301805 5.732491 
1 1 1   23   12  -39 o   8.5852   4.0477 -16.2500   24.250   0.0000   0.0000 -16.2500   24.250  ?   ?    8.5852   4.0477 0.000000 4.047662 
1 1 1   23   12  -38 o   15.486   4.3261   39.107   18.687   0.0000   0.0000   39.107   18.687  ?   ?    15.486   4.3261 0.000000 4.326068 
1 1 1   23   12  -37 o   26.896   1.9829  100.772   14.223  103.150   20.399   98.521   19.842   26.688   2.8920   26.085   2.8801 0.6033459 4.081496 
1 1 1   23   12  -36 o   42.199   1.2999  242.140   14.734  251.119   18.349  225.844   24.721   42.841   1.5946   40.171   2.3007 2.670002 2.799330 
1 1 1   23   12  -35 o   7.7026   3.2162   2.8876   11.096  -2.0773   15.667   7.8849   15.718   8.2019   3.6230   9.6076   3.9000 -1.405662 5.323163 
1 1 1   23   12  -34 o   13.075   2.6949   24.798   9.1497   29.427   12.917   20.135   12.962   14.023   3.4526   11.717   3.6901 2.305809 5.053412 
1 1 1   23   12  -33 o   28.163   1.6032  108.496   12.077   92.590   16.487  126.914   17.741   25.709   2.4159   30.232   2.2000 -4.522758 3.267481 
1 1 1   23   12  -32 f   8.2899   3.0412   8.1462   8.8688   24.595   12.525  -8.3958   12.560   12.858   3.5225   6.6100   3.0474 6.248405 4.657737 
1 1 1   23   12  -31 o   14.225   2.7567   29.204   10.152   20.072   13.653   40.497   15.184   11.786   3.7952   16.517   3.5296 -4.731737 5.182777 
1 1 1   23   12  -30 o   23.992   1.9141   79.380   12.232   81.512   15.157   75.398   20.714   24.150   2.3671   22.704   3.5101 1.446678 4.233654 
1 1 1   23   12  -29 o   27.003   1.5103   99.475   10.910   98.112   13.964  101.610   17.479   26.675   1.9628   26.961   2.4402 -0.2859764 3.131614 
1 1 1   23   12  -28 o   24.826   1.4705   84.038   9.7618   85.437   13.569   82.538   14.055   24.857   2.0506   24.388   2.1682 0.4691887 2.984341 
1 1 1   23   12  -27 o   16.006   2.4070   36.186   10.028   35.348   12.643   37.608   16.465   15.573   3.1311   15.806   3.9020 -0.2326050 5.002928 
1 1 1   23   12  -26 o   21.037   1.6543   60.637   9.2719   63.520   13.105   57.746   13.120   21.334   2.3246   20.285   2.4584 1.049059 3.383416 
1 1 1   23   12  -25 o   23.140   1.7028   73.333   10.509   70.845   17.984   74.623   12.950   22.258   3.0918   23.228   2.0983 -0.9701595 3.736585 
1 1 1   23   12  -24 o   37.399   1.1154  188.967   11.204  190.411   15.806  187.509   15.884   37.432   1.5721   37.140   1.5923 0.2920685 2.237619 
1 1 1   23   12  -23 o   28.086   1.2746  106.724   9.6155  119.831   14.177   95.556   13.086   29.602   1.7914   26.405   1.8569 3.197769 2.580190 
1 1 1   23   12  -22 o   18.832   1.7175   48.626   8.5918   45.677   12.461   51.297   11.862   17.992   2.6588   19.181   2.3517 -1.189528 3.549605 
1 1 1   23   12  -21 o   44.815   1.0303  270.920   12.402  267.013   17.933  274.502   17.171   44.380   1.5044   45.021   1.4200 -0.6411095 2.068714 
1 1 1   23   12  -20 o   31.062   1.2910  130.439   10.771  125.141   17.088  133.931   13.873   30.184   2.1213   31.366   1.6526 -1.181978 2.689034 
1 1 1   23   12  -19 o   9.6142   2.0732   13.090   5.1961   13.546   5.8935   11.495   11.012   9.7547   2.2888   9.6009   3.4061 0.1538229 4.103668 
1 1 1   23   12  -18 o   15.956   1.5985   34.852   6.7585   39.320   8.5193   27.267   11.101   16.893   1.9113   13.752   3.0818 3.140937 3.626365 
1 1 1   23   12  -17 o   41.236   0.7592  228.834   8.4088  245.472   11.899  212.238   11.884   42.670   1.0383   39.664   1.1155 3.005497 1.523948 
1 1 1   23   12  -16 o   25.151   0.9402   85.217   6.3512   95.295   8.5410   72.751   9.4991   26.571   1.1968   23.129   1.5379 3.442343 1.948671 
1 1 1   23   12  -15 o   35.129   0.9202  166.215   8.6829  174.687   10.406  146.796   15.755   35.994   1.0764   32.833   1.7933 3.161625 2.091541 
1 1 1   23   12  -14 o   43.117   0.8501  250.271   9.8452  267.814   14.080  233.488   13.772   44.552   1.1766   41.590   1.2328 2.962467 1.704219 
1 1 1   23   12  -13 o   52.379   0.8092  369.252   11.385  363.345   16.679  374.407   15.579   51.892   1.1967   52.695   1.1007 -0.8031769 1.625915 
1 1 1   23   12  -12 o   40.067   0.8697  216.122   9.3596  212.488   12.953  220.091   13.539   39.682   1.2153   40.380   1.2483 -0.6983833 1.742233 
1 1 1   23   12  -11 o   38.888   0.9262  203.649   9.6745  212.128   12.971  193.018   14.524   39.649   1.2180   37.787   1.4311 1.862244 1.879222 
1 1 1   23   12  -10 o   23.341   1.1739   73.666   7.3358   69.012   10.052   78.970   10.730   22.508   1.6746   24.087   1.6689 -1.578501 2.364218 
1 1 1   23   12   -9 o   63.839   0.8667  548.604   14.862  565.414   21.045  531.883   20.990   64.738   1.2103   62.781   1.2448 1.957176 1.736173 
1 1 1   23   12   -8 o   40.868   0.8003  224.745   8.7847  224.937   13.750  224.613   11.419   40.827   1.2539   40.828   1.0413 -0.1163483E-02 1.629874 
1 1 1   23   12   -7 o   28.327   0.9197  108.037   6.9971  116.498   11.170  102.572   8.9767   29.364   1.4163   27.575   1.2120 1.788467 1.864085 
1 1 1   23   12   -6 o   36.079   0.8672  175.210   8.4036  178.298   12.988  172.987   11.022   36.340   1.3307   35.820   1.1456 0.5207481 1.755854 
1 1 1   23   12   -5 o   33.464   0.9842  150.823   8.8464  144.401   13.888  155.208   11.476   32.670   1.5827   33.916   1.2598 -1.246368 2.022860 
1 1 1   23   12   -4 o   25.637   1.0907   88.573   7.5106   85.637   12.828   90.104   9.2644   25.045   1.9216   25.800   1.3416 -0.7545757 2.343591 
1 1 1   23   12   -3 o   32.801   0.9688  144.888   8.5349  145.556   16.297  144.636   10.019   32.705   1.8630   32.756   1.1388 -0.5073929E-01 2.183451 
1 1 1   23   12   -2 o   17.177   1.4551   40.149   6.6505   40.008   11.422   40.222   8.1803   16.911   2.5976   17.133   1.8048 -0.2220802 3.163066 
1 1 1   23   12   -1 f   54.125   0.7837  394.125   11.393  388.851   17.638  397.902   14.925   53.693   1.2230   54.350   1.0224 -0.6567001 1.594085 
1 1 1   23   12    0 o   16.369   1.4787   36.499   6.4310   42.903   10.331   32.447   8.2172   17.612   2.2341   15.320   2.0482 2.292051 3.030909 
1 1 1   23   12    1 f   49.890   0.7904  334.863   10.592  328.744   16.390  339.251   13.878   49.367   1.2361   50.184   1.0296 -0.8166466 1.608771 
1 1 1   23   12    2 o   10.920   2.2192   16.813   6.2869   13.171   9.2015   20.002   8.6100   9.8221   3.1107   11.844   2.7580 -2.021976 4.157287 
1 1 1   23   12    3 o   23.080   1.1625   71.998   7.1830   69.137   10.634   74.398   9.7410   22.518   1.7726   23.403   1.5586 -0.8848324 2.360334 
1 1 1   23   12    4 o   21.134   1.2147   60.439   6.8660   62.775   10.364   58.612   9.1662   21.442   1.8166   20.742   1.6592 0.6994514 2.460255 
1 1 1   23   12    5 o   33.864   0.9102  154.390   8.2791  155.013   12.369  153.884   11.144   33.882   1.3592   33.775   1.2284 0.1067429 1.832034 
1 1 1   23   12    6 o   21.596   1.1748   63.075   6.7889   65.178   10.165   61.382   9.1212   21.863   1.7457   21.237   1.6111 0.6257629 2.375491 
1 1 1   23   12    7 o   66.702   0.8863  598.924   15.878  615.447   22.503  582.539   22.408   67.538   1.2405   65.701   1.2698 1.837776 1.775163 
1 1 1   23   12    8 o   30.552   1.0322  125.770   8.4707  123.074   11.910  128.530   12.050   30.173   1.4697   30.836   1.4549 -0.6635189 2.067993 
1 1 1   23   12    9 o   50.150   0.8544  338.534   11.509  338.404   16.763  338.649   15.829   50.077   1.2463   50.108   1.1761 -0.3138351E-01 1.713659 
1 1 1   23   12   10 o   29.903   0.9870  120.457   7.9270  122.968   11.514  118.195   10.929   30.163   1.4213   29.578   1.3757 0.5852757 1.978030 
1 1 1   23   12   11 o   35.677   0.9734  171.460   9.3274  175.301   12.959  167.332   13.436   36.026   1.3393   35.184   1.4217 0.8411751 1.953196 
1 1 1   23   12   12 o   62.401   0.9680  524.542   16.224  519.740   26.189  527.532   20.667   61.960   1.5737   62.520   1.2307 -0.5603256 1.997777 
1 1 1   23   12   13 o   50.835   0.9125  348.002   12.459  341.997   16.907  355.138   18.431   50.333   1.2506   51.272   1.3384 -0.9385910 1.831745 
1 1 1   23   12   14 o   44.246   0.8778  263.603   10.432  252.556   15.214  273.405   14.331   43.240   1.3099   45.013   1.1853 -1.772949 1.766617 
1 1 1   23   12   15 o   45.862   0.8622  283.198   10.621  280.184   13.999  287.286   16.304   45.573   1.1436   46.114   1.3163 -0.5403137 1.743741 
1 1 1   23   12   16 o   29.603   1.0299  118.133   8.1891  124.848   10.723  108.738   12.684   30.398   1.3134   28.266   1.6783 2.131372 2.131097 
1 1 1   23   12   17 o   25.576   1.1241   88.252   7.7218   80.659   9.9591   99.697   12.227   24.357   1.5301   27.055   1.6911 -2.698027 2.280560 
1 1 1   23   12   18 o   23.626   1.2136   75.568   7.6750   70.768   9.8365   83.039   12.271   22.789   1.6176   24.638   1.8682 -1.849226 2.471188 
1 1 1   23   12   19 o   20.187   1.4949   55.493   8.0477   62.545   10.685   46.247   12.234   21.355   1.8820   18.158   2.5811 3.197336 3.194422 
1 1 1   23   12   20 o   34.022   1.1106  156.218   10.148  156.514   12.805  155.718   16.641   34.005   1.4020   33.774   1.8414 0.2303162 2.314387 
1 1 1   23   12   21 o   50.560   0.9306  344.539   12.637  357.055   17.450  330.734   18.326   51.391   1.2642   49.430   1.3803 1.961990 1.871763 
1 1 1   23   12   22 o   27.156   1.1309   99.593   8.2488   94.935   11.848  103.974   11.491   26.374   1.6813   27.637   1.5544 -1.263039 2.289730 
1 1 1   23   12   23 o   7.1408   2.6697   5.4847   6.8934   9.4960   9.8499   1.6341   9.6507   8.8736   3.2127   7.1233   2.9887 1.750292 4.387880 
1 1 1   23   12   24 o   21.118   1.3002   60.604   7.3389   58.084   9.7114   63.959   11.206   20.568   1.7753   21.541   1.9581 -0.9729767 2.643093 
1 1 1   23   12   25 o   28.791   1.0277  111.911   7.9473  113.401   10.851  110.187   11.672   28.917   1.3971   28.436   1.5339 0.4809246 2.074803 
1 1 1   23   12   26 o   10.353   2.4114   15.398   6.5805   10.783   8.7924   21.275   9.9222   8.9995   3.0515   12.068   3.0576 -3.068155 4.319761 
1 1 1   23   12   27 o   44.211   0.8571  263.539   10.178  259.991   13.906  267.634   14.938   43.835   1.1811   44.454   1.2511 -0.6193504 1.720532 
1 1 1   23   12   28 o   13.238   1.9810   24.535   6.8272   25.968   9.1208   22.710   10.296   13.444   2.6201   12.444   3.0936 0.9995556 4.054032 
1 1 1   23   12   29 o   11.717   2.4276   19.697   7.3888   24.126   10.286   14.974   10.621   12.835   3.0319   10.322   3.3498 2.513915 4.518125 
1 1 1   23   12   30 o   4.6916   2.2023  -6.9840   7.0419   3.6953   8.8993 -24.8696   11.517   7.2635   2.9394   4.8643   2.4043 2.399179 3.797488 
1 1 1   23   12   31 o   39.212   0.9270  207.503   9.7634  202.879   13.227  213.038   14.472   38.689   1.2728   39.620   1.3599 -0.9311790 1.862682 
1 1 1   23   12   32 f   4.9180   2.2776  -5.6271   7.1334  -3.3549   9.6593  -8.3530   10.580   6.2627   2.8007   5.9420   2.7595 0.3206544 3.931720 
1 1 1   23   12   33 o   25.722   1.2091   89.629   8.3534   91.693   11.145   86.984   12.619   25.881   1.6112   25.118   1.8843 0.7635422 2.479202 
1 1 1   23   12   34 o   10.423   2.5404   15.762   7.0475   9.3087   9.1875   24.989   10.985   8.6280   3.1058   12.989   3.1753 -4.361192 4.441689 
1 1 1   23   12   35 o   30.303   1.0564  124.255   8.5985  112.484   11.287  140.531   13.273   28.696   1.4694   32.091   1.5399 -3.395790 2.128455 
1 1 1   23   12   36 o   35.949   1.0241  174.904   9.8884  175.608   12.601  173.774   15.953   35.935   1.3056   35.607   1.6681 0.3281326 2.118249 
1 1 1   23   12   37 o   11.779   2.6617   20.415   8.2227   25.434   10.642   12.981   12.953   13.023   3.0890   9.9670   3.6726 3.056465 4.798926 
1 1 1   23   12   38 o   16.631   2.4130   39.807   10.464   53.501   13.584   19.819   16.411   19.168   2.7144   11.597   4.1534 7.571769 4.961700 
1 1 1   23   12   39 o   6.9734   3.0797  -1.2497   11.315  -5.5325   18.920   1.1352   14.119   8.3733   3.8149   8.0451   3.4994 0.3281765 5.176806 
1 1 1   23   12   40 o   16.722   3.9606   45.686   17.514   85.260   25.640   11.070   23.981   22.622   4.3782   10.838   4.6356 11.78318 6.376340 
1 1 1   23   12   41 o   17.315   3.0546   45.973   13.687   21.192   20.439   66.119   18.429   11.678   4.5401   20.488   3.4729 -8.810754 5.716061 
1 1 1   23   12   42 o   15.884   3.2216   39.844   13.274   23.074   20.486   51.981   17.428   11.791   4.5561   17.730   3.7755 -5.938608 5.917116 
1 1 1   23   12   43 o   14.626   3.8445   36.759   15.302   3.6800   30.430   47.954   17.703   10.326   4.7542   16.622   4.0112 -6.295901 6.220287 
1 1 1   23   13  -37 o   10.667   4.0896   15.240   16.414   0.0000   0.0000   15.240   16.414  ?   ?    10.667   4.0896 0.000000 4.089602 
1 1 1   23   13  -36 o   16.622   3.4320   42.213   14.814   55.620   24.065   34.032   18.799   18.150   4.8457   14.450   4.4264 3.699572 6.563090 
1 1 1   23   13  -35 o   7.0934   3.1685  -3.1084   12.325   2.3510   17.972  -7.9553   16.935   9.1851   3.9716   7.8017   3.5752 1.383375 5.343768 
1 1 1   23   13  -34 o   10.777   2.9769   17.164   8.9020   12.509   12.409   22.102   12.778   9.8414   3.5993   12.108   3.6368 -2.266218 5.116791 
1 1 1   23   13  -33 o   31.339   1.2756  133.380   10.737  145.569   15.398  121.845   14.980   32.529   1.7691   29.703   1.8874 2.825972 2.586921 
1 1 1   23   13  -32 o   21.377   2.0264   63.521   11.496   64.361   16.316   62.694   16.200   21.132   2.9555   20.842   2.9787 0.2904778 4.196099 
1 1 1   23   13  -31 o   23.330   1.5847   74.563   9.8715   66.857   13.978   82.229   13.943   21.797   2.4289   24.309   2.1579 -2.511440 3.249039 
1 1 1   23   13  -30 o   4.3097   2.1141 -16.1710   8.3614 -10.1278   11.622 -22.6540   12.038   6.1050   2.8541   5.1799   2.5401 0.9250078 3.820714 
1 1 1   23   13  -29 o   22.211   1.9148   68.159   11.312   77.696   19.876   63.591   13.757   23.135   3.2913   21.258   2.4545 1.877449 4.105782 
1 1 1   23   13  -28 o   22.371   1.7700   68.858   10.548   70.399   13.748   66.653   16.448   22.435   2.3148   21.579   2.9123 0.8562336 3.720146 
1 1 1   23   13  -27 o   22.555   1.6891   69.830   10.159   91.538   13.639   42.778   15.225   25.740   1.9881   17.005   3.4512 8.734907 3.982867 
1 1 1   23   13  -26 o   15.955   2.4314   36.063   10.090   40.621   12.687   28.219   16.645   16.775   2.9220   13.691   4.1593 3.084127 5.083108 
1 1 1   23   13  -25 o   26.190   1.3834   93.365   9.6971  103.675   13.836   83.411   13.595   27.449   1.8882   24.541   2.0821 2.907047 2.810755 
1 1 1   23   13  -24 o   23.606   1.4758   76.014   9.3101   69.657   13.209   82.291   13.125   22.370   2.2280   24.404   2.0206 -2.033691 3.007737 
1 1 1   23   13  -23 o   23.672   1.6530   76.702   10.444   67.605   17.992   81.325   12.826   21.666   3.1870   24.279   1.9842 -2.612959 3.754195 
1 1 1   23   13  -22 o   15.461   2.4349   33.801   9.7770   29.931   17.277   35.624   11.859   14.134   4.2250   15.726   2.9149 -1.591983 5.132945 
1 1 1   23   13  -21 o   36.665   1.1174  181.642   11.004  191.313   16.346  173.626   14.882   37.501   1.6228   35.746   1.5500 1.755512 2.244107 
1 1 1   23   13  -20 o   36.301   0.8744  177.603   8.5251  185.240   10.561  163.318   14.443   37.042   1.0615   34.677   1.5507 2.364227 1.879219 
1 1 1   23   13  -19 o   21.039   1.4015   60.227   7.8740   51.126   10.483   72.007   11.927   19.224   2.0625   22.879   1.9598 -3.654594 2.845136 
1 1 1   23   13  -18 o   10.818   2.1457   16.566   6.0146   20.883   7.2892   7.3567   10.647   12.138   2.3204   8.5638   3.2912 3.574449 4.026904 
1 1 1   23   13  -17 o   38.557   0.7809  200.163   8.0868  203.508   11.253  196.591   11.629   38.833   1.0789   38.158   1.1347 0.6754913 1.565714 
1 1 1   23   13  -16 o   17.454   1.2867   41.408   5.9895   34.662   7.3662   54.569   10.289   15.873   1.7573   19.914   1.9486 -4.040968 2.623976 
1 1 1   23   13  -15 o   31.669   1.0173  135.236   8.6534  157.739   14.571  122.976   10.755   34.102   1.5909   30.156   1.3279 3.945976 2.072217 
1 1 1   23   13  -14 f   45.076   0.8783  273.685   10.634  279.810   14.865  267.265   15.219   45.516   1.2159   44.472   1.2741 1.044373 1.761207 
1 1 1   23   13  -13 o   24.973   1.0869   84.125   7.2903   87.252   10.177   80.829   10.449   25.338   1.5020   24.364   1.6058 0.9748116 2.198763 
1 1 1   23   13  -12 f   19.403   1.2290   51.042   6.3717   53.560   9.5509   49.021   8.5533   19.770   1.8191   18.931   1.7003 0.8386383 2.490000 
1 1 1   23   13  -11 o   31.253   0.8958  131.556   7.5200  123.788   11.544  137.282   9.9115   30.250   1.4208   31.895   1.1570 -1.645237 1.832311 
1 1 1   23   13  -10 o   26.769   0.9677   96.558   6.9575   95.632   10.761   97.223   9.1204   26.534   1.5161   26.830   1.2656 -0.2953510 1.974978 
1 1 1   23   13   -9 o   35.154   0.8463  166.382   7.9905  161.107   12.336  170.195   10.488   34.528   1.3302   35.524   1.0992 -0.9954643 1.725588 
1 1 1   23   13   -8 f   30.474   0.9488  125.110   7.7660  124.901   11.674  125.275   10.402   30.389   1.4302   30.457   1.2716 -0.6798935E-01 1.913732 
1 1 1   23   13   -7 o   19.305   1.3936   50.639   7.1772   50.016   10.014   51.298   10.292   19.071   1.9840   19.309   2.0141 -0.2384605 2.827169 
1 1 1   23   13   -6 o   19.390   1.2784   50.990   6.6205   48.514   9.8928   52.999   8.9097   18.779   1.9918   19.697   1.7008 -0.9186668 2.619140 
1 1 1   23   13   -5 o   31.145   1.0148  130.720   8.4892  126.912   11.947  134.604   12.065   30.632   1.4521   31.551   1.4237 -0.9189396 2.033626 
1 1 1   23   13   -4 o   22.946   1.3330   71.372   8.1799   91.674   13.105   58.413   10.470   25.903   1.8968   20.644   1.9099 5.259350 2.691735 
1 1 1   23   13   -3 o   58.867   0.9928  466.913   15.697  461.710   25.679  470.017   19.834   58.372   1.6378   59.005   1.2515 -0.6325111 2.061257 
1 1 1   23   13   -2 o   60.657   1.0322  495.878   16.817  487.514   22.532  506.396   25.269   60.055   1.3969   61.165   1.5381 -1.109802 2.077785 
1 1 1   23   13   -1 f   19.509   1.5965   51.883   8.2925   42.098   13.959   57.219   10.308   17.179   3.1410   20.434   1.9000 -3.254129 3.670998 
1 1 1   23   13    0 o   47.253   1.0038  300.868   12.739  300.307   15.927  301.864   21.225   47.164   1.2573   47.190   1.6746 -0.2626801E-01 2.094042 
1 1 1   23   13    1 f   42.941   0.8693  248.260   10.026  258.309   14.914  239.975   13.542   43.739   1.2695   42.171   1.1956 1.568001 1.743838 
1 1 1   23   13    2 o   20.121   1.3380   54.935   7.1899   51.083   10.665   58.144   9.7347   19.253   2.0962   20.625   1.7745 -1.371845 2.746466 
1 1 1   23   13    3 o   28.510   1.1093  109.613   8.4944  118.464   11.761   99.959   12.282   29.554   1.4863   27.100   1.6959 2.454342 2.255017 
1 1 1   23   13    4 o   21.364   1.3021   61.874   7.4362   56.169   10.067   68.726   11.032   20.248   1.8722   22.419   1.8486 -2.170969 2.631050 
1 1 1   23   13    5 o   41.073   0.9200  227.202   10.149  233.579   14.161  220.468   14.553   41.591   1.2677   40.394   1.3413 1.197281 1.845564 
1 1 1   23   13    6 o   10.243   2.6611   14.962   7.3872   17.312   9.0378   10.231   12.822   11.003   2.9832   9.6846   3.6371 1.318752 4.704025 
1 1 1   23   13    7 o   39.693   0.9402  212.232   10.023  224.184   14.044  199.823   14.310   40.742   1.2834   38.447   1.3858 2.295292 1.888790 
1 1 1   23   13    8 f   13.712   1.9599   26.084   7.0128   17.895   9.6860   35.105   10.167   11.186   3.1109   15.824   2.4730 -4.637939 3.974138 
1 1 1   23   13    9 o   20.348   1.5016   56.345   8.1486   45.110   10.901   70.570   12.267   18.022   2.3049   22.671   2.0362 -4.649366 3.075531 
1 1 1   23   13   10 o   24.015   1.4590   78.322   9.3663   72.780   12.132   86.501   14.737   23.037   1.9799   25.069   2.2114 -2.031607 2.968164 
1 1 1   23   13   11 o   26.140   1.2462   92.281   8.7496  100.582   11.323   79.980   13.784   27.205   1.5561   24.112   2.1511 3.093002 2.654923 
1 1 1   23   13   12 f   16.296   1.8695   36.575   8.0344   33.452   10.031   42.165   13.419   15.420   2.5081   17.206   3.0136 -1.785410 3.920775 
1 1 1   23   13   13 o   24.570   1.2514   81.761   8.2312   79.822   10.903   84.330   12.551   24.193   1.6885   24.822   1.8970 -0.6282978 2.539618 
1 1 1   23   13   14 f   40.805   0.9539  224.396   10.454  225.105   14.257  223.570   15.376   40.808   1.3007   40.646   1.4084 0.1620522 1.917128 
1 1 1   23   13   15 o   19.247   1.3359   50.334   6.8632   52.626   9.0794   47.279   10.483   19.604   1.7425   18.477   2.1528 1.126984 2.769624 
1 1 1   23   13   16 o   33.106   0.9300  147.703   8.2696  158.592   11.285  135.073   12.153   34.260   1.2264   31.583   1.4327 2.677231 1.885894 
1 1 1   23   13   17 o   16.582   1.5170   37.583   6.6813   37.715   8.8663   37.410   10.163   16.495   2.0451   16.337   2.3865 0.1575031 3.142945 
1 1 1   23   13   18 o   41.946   0.9661  237.248   10.884  235.315   14.989  239.403   15.831   41.698   1.3383   42.043   1.4020 -0.3448486 1.938207 
1 1 1   23   13   19 o   43.475   0.9078  254.776   10.601  254.853   15.326  254.706   14.679   43.394   1.3150   43.395   1.2594 -0.1365662E-02 1.820755 
1 1 1   23   13   20 o   20.275   1.4141   55.987   7.6525   65.208   11.053   47.495   10.606   21.771   1.9095   18.482   2.1783 3.288403 2.896763 
1 1 1   23   13   21 o   35.031   0.9948  165.602   9.3604  155.340   13.364  175.485   13.115   33.831   1.4707   35.986   1.3569 -2.154991 2.001017 
1 1 1   23   13   22 o   3.7892   1.8606 -13.0297   6.5268 -18.2610   8.6924  -6.2683   9.8822   4.2887   2.1139   5.9586   2.7308 -1.669895 3.453340 
1 1 1   23   13   23 o   33.390   0.9647  150.471   8.6522  141.636   11.747  160.947   12.791   32.318   1.3533   34.444   1.3827 -2.125568 1.934724 
1 1 1   23   13   24 o   6.2967   2.5281   2.8360   6.5264  -0.8408   8.6970   7.5753   9.8740   6.3237   2.7486   8.3849   3.1820 -2.061202 4.204728 
1 1 1   23   13   25 o   5.2935   2.3361  -1.6457   6.4993   0.4065   8.7231  -4.2065   9.7441   6.5536   2.7992   6.1741   2.7828 0.3794899 3.947073 
1 1 1   23   13   26 o   33.824   0.9542  154.444   8.6688  159.058   11.984  149.379   12.555   34.248   1.3028   33.162   1.4095 1.085754 1.919390 
1 1 1   23   13   27 o   4.7045   2.1760  -5.0451   6.4815   1.8803   8.6737 -13.8019   9.7534   6.8138   2.8442   5.0683   2.4381 1.745476 3.746214 
1 1 1   23   13   28 o   9.5149   2.9703   12.814   8.4197   1.2006   11.856   24.631   11.959   7.6698   3.2693   12.875   3.4058 -5.205110 4.721038 
1 1 1   23   13   29 o   28.387   1.1623  109.089   8.8617  112.730   12.609  105.534   12.457   28.699   1.6426   27.753   1.6791 0.9459515 2.348904 
1 1 1   23   13   30 o   31.130   1.0584  131.018   8.8490  131.244   12.069  130.756   13.013   31.066   1.4464   30.936   1.5713 0.1303921 2.135663 
1 1 1   23   13   31 o   23.502   1.2887   75.160   8.1035   74.460   11.065   75.969   11.901   23.253   1.7852   23.449   1.9061 -0.1956158 2.611553 
1 1 1   23   13   32 o   5.2286   2.3482  -2.8290   6.8672  -3.1870   8.9154  -2.3067   10.768   5.9982   2.6860   6.7778   2.9983 -0.7796340 4.025434 
1 1 1   23   13   33 o   28.934   1.1509  113.460   8.9439  103.833   11.163  130.719   14.947   27.549   1.5145   30.801   1.8147 -3.251854 2.363634 
1 1 1   23   13   34 o   7.7340   2.7273   7.6657   7.0503  -2.1287   9.0430   22.847   11.258   6.1874   2.7418   12.327   3.3243 -6.139348 4.309151 
1 1 1   23   13   35 o   6.8001   2.6958   4.0408   7.3285   3.0545   8.9474   6.0513   12.774   7.0676   2.9141   8.6080   3.5076 -1.540417 4.560183 
1 1 1   23   13   36 o   20.920   1.8291   60.983   10.174   75.086   14.445   47.100   14.332   22.957   2.3772   17.759   3.1185 5.197937 3.921198 
1 1 1   23   13   37 o   10.365   3.4428   15.999   11.195   12.219   17.367   18.687   14.644   10.287   4.1262   11.172   3.9316 -0.8842545 5.699389 
1 1 1   23   13   38 o   25.080   2.0293   88.920   13.553   58.163   22.210  107.168   17.108   18.482   4.5132   27.319   2.3545 -8.836088 5.090450 
1 1 1   23   13   39 o   9.6063   3.6054   12.798   12.596   3.3401   19.352   19.749   16.592   9.2160   4.0505   11.266   4.1557 -2.050261 5.803122 
1 1 1   23   13   40 o   9.4980   3.8566   10.827   15.374   19.230   22.111   2.9630   21.391   11.358   4.6200   9.3835   4.1841 1.974813 6.233085 
1 1 1   23   13   41 o   8.7722   3.8152   4.9809   16.778   0.0000   0.0000   4.9809   16.778  ?   ?    8.7722   3.8152 0.000000 3.815187 
1 1 1   23   13   42 o   10.183   4.1065   15.564   17.302   0.0000   0.0000   15.564   17.302  ?   ?    10.183   4.1065 0.000000 4.106461 
1 1 1   23   14  -36 o   17.562   5.3462   57.510   27.479   0.0000   0.0000   57.510   27.479  ?   ?    17.562   5.3462 0.000000 5.346243 
1 1 1   23   14  -35 f   8.1963   3.3766   5.2722   12.000  -6.9914   16.532   18.933   17.448   7.6909   3.5273   11.408   4.2509 -3.717080 5.523754 
1 1 1   23   14  -34 o   9.6375   3.4990   12.497   11.695   10.594   16.896   14.248   16.205   10.050   4.0562   10.555   4.0594 -0.5040388 5.738630 
1 1 1   23   14  -33 o   12.870   3.2421   25.061   11.202   11.807   16.923   35.397   14.944   10.321   4.0951   15.120   3.7080 -4.799467 5.524396 
1 1 1   23   14  -32 o   12.167   2.7991   21.824   8.9567   15.911   12.908   27.315   12.439   10.636   3.6942   13.420   3.4361 -2.784440 5.045174 
1 1 1   23   14  -31 o   11.664   3.2484   20.270   10.553   16.673   15.114   23.693   14.742   11.058   3.9831   12.531   3.9334 -1.472585 5.597973 
1 1 1   23   14  -30 o   18.157   1.9431   45.873   9.3289   47.158   13.333   44.640   13.058   18.072   2.8405   17.562   2.8672 0.5100060 4.036021 
1 1 1   23   14  -29 o   17.878   2.0025   44.538   9.4504   58.462   13.608   31.567   13.134   20.302   2.5520   14.527   3.4225 5.775646 4.269168 
1 1 1   23   14  -28 o   22.233   2.0814   68.740   12.285   75.340   23.578   66.280   14.393   22.286   4.0897   21.658   2.5214 0.6282101 4.804498 
1 1 1   23   14  -27 o   24.857   1.4827   84.399   9.8542   72.107   13.583   98.058   14.318   22.714   2.2562   26.617   2.0178 -3.902090 3.026895 
1 1 1   23   14  -26 o   8.2717   3.1168   7.6397   9.4313   6.4840   12.473   9.1827   14.412   8.7234   3.4976   9.6147   3.7904 -0.8913240 5.157499 
1 1 1   23   14  -25 o   6.4662   2.9607  -6.7712   11.580  -6.7712   11.580   0.0000   0.0000   6.4662   2.9607  ?   ?  0.000000 2.960672 
1 1 1   23   14  -24 o   8.0713   2.9879   7.5566   8.5924   25.103   12.039 -10.6615   12.267   12.985   3.4086   6.2650   2.9299 6.720280 4.494773 
1 1 1   23   14  -23 f   38.130   1.1411  196.762   11.686  178.414   16.215  216.591   16.857   36.150   1.6700   39.867   1.5742 -3.716690 2.295048 
1 1 1   23   14  -22 o   29.274   1.2886  116.203   10.132  125.316   14.731  108.021   13.958   30.203   1.8244   28.020   1.8653 2.183525 2.609181 
1 1 1   23   14  -21 o   31.242   0.9526  131.754   7.9939  125.485   9.5928  145.999   14.461   30.449   1.1730   32.679   1.6529 -2.230169 2.026790 
1 1 1   23   14  -20 o   21.659   1.4596   64.017   8.4414   74.136   11.454   51.988   12.489   23.207   1.8530   19.211   2.4782 3.996334 3.094372 
1 1 1   23   14  -19 o   11.024   2.1308   17.247   6.0809   17.202   7.3337   17.344   10.879   10.922   2.5468   10.980   3.3679 -0.5762386E-01 4.222435 
1 1 1   23   14  -18 f   26.933   1.0239   97.942   7.4072   86.652   11.009  107.282   10.013   25.178   1.6368   28.137   1.3249 -2.959654 2.105830 
1 1 1   23   14  -17 o   18.812   1.8533   48.776   9.2427   51.187   18.631   47.989   10.645   18.559   3.8633   18.570   2.1755 -0.1093674E-01 4.433678 
1 1 1   23   14  -16 o   26.084   1.0941   91.897   7.6655   88.905   11.373   94.387   10.377   25.508   1.6692   26.335   1.4729 -0.8270416 2.226131 
1 1 1   23   14  -15 o   30.670   0.9347  126.839   7.7001  124.026   11.324  129.258   10.501   30.254   1.3936   30.910   1.2649 -0.6558743 1.882034 
1 1 1   23   14  -14 o   36.279   0.8924  177.386   8.6961  178.003   12.486  176.806   12.118   36.273   1.2816   36.158   1.2478 0.1153183 1.788721 
1 1 1   23   14  -13 o   34.057   0.9305  156.356   8.5113  163.691   12.288  149.592   11.800   34.781   1.3154   33.248   1.3214 1.532848 1.864479 
1 1 1   23   14  -12 o   47.934   0.8703  309.561   11.205  318.165   15.801  300.857   15.892   48.522   1.2124   47.173   1.2543 1.348625 1.744463 
1 1 1   23   14  -11 o   33.693   0.8871  152.956   8.0281  154.550   12.139  151.717   10.703   33.798   1.3373   33.512   1.1891 0.2852173 1.789439 
1 1 1   23   14  -10 o   14.481   1.6445   28.826   6.2825   26.306   9.4347   30.834   8.4210   13.576   2.6825   14.862   2.1739 -1.285525 3.452736 
1 1 1   23   14   -9 o   37.054   0.8800  184.967   8.7582  188.285   13.117  182.298   11.765   37.315   1.3088   36.738   1.1923 0.5765228 1.770423 
1 1 1   23   14   -8 o   10.705   2.3421   16.313   6.5470   11.737   9.3188   20.772   9.2002   9.3903   3.1417   12.008   2.8879 -2.617621 4.267384 
1 1 1   23   14   -7 o   33.257   0.8970  149.000   8.0123  153.929   12.423  145.489   10.484   33.731   1.3712   32.823   1.1892 0.9079552 1.815063 
1 1 1   23   14   -6 o   6.6524   2.4745   4.7436   5.9071  -6.2336   9.7212   11.170   7.4379   5.9312   2.7146   8.9877   2.7895 -3.056477 3.892359 
1 1 1   23   14   -5 o   17.015   1.4966   39.512   6.7704   29.727   11.781   44.336   8.2728   14.347   3.1441   17.985   1.7340 -3.638136 3.590557 
1 1 1   23   14   -4 o   51.712   0.8090  360.021   11.237  351.604   17.382  366.064   14.728   51.011   1.2686   52.099   1.0525 -1.088039 1.648408 
1 1 1   23   14   -3 o   46.796   0.8790  294.949   11.047  297.926   18.098  293.181   13.948   46.916   1.4362   46.614   1.1140 0.3027344 1.817601 
1 1 1   23   14   -2 o   41.204   0.8762  228.668   9.6973  223.755   16.247  231.387   12.086   40.648   1.4881   41.416   1.0865 -0.7679634 1.842551 
1 1 1   23   14   -1 o   32.091   0.9719  138.793   8.3767  151.149   14.457  132.548   10.278   33.385   1.6122   31.328   1.2214 2.056568 2.022693 
1 1 1   23   14    0 o   48.404   0.8798  315.569   11.439  286.415   18.049  335.139   14.788   45.996   1.4609   49.840   1.1046 -3.844322 1.831559 
1 1 1   23   14    1 o   60.652   0.8796  495.474   14.330  437.560   24.719  524.787   17.586   56.799   1.6203   62.382   1.0496 -5.582607 1.930543 
1 1 1   23   14    2 o   52.609   0.8565  372.725   12.103  356.947   17.295  387.868   16.943   51.402   1.2527   53.601   1.1769 -2.198826 1.718794 
1 1 1   23   14    3 o   24.056   1.1347   78.099   7.3316   70.608   10.862   84.368   9.9368   22.723   1.7943   24.916   1.4917 -2.193064 2.333406 
1 1 1   23   14    4 o   11.214   2.3022   17.834   6.7022   13.382   9.9196   21.573   9.0912   9.9204   3.2382   12.256   2.8204 -2.335111 4.294205 
1 1 1   23   14    5 o   34.074   1.0751  156.614   9.8389  158.375   12.970  154.229   15.100   34.210   1.4116   33.708   1.6678 0.5015678 2.184968 
1 1 1   23   14    6 o   40.041   0.8957  215.990   9.6327  221.344   14.116  211.324   13.178   40.465   1.2988   39.550   1.2405 0.9152298 1.796017 
1 1 1   23   14    7 o   29.140   1.0706  114.552   8.3791  120.700   11.698  108.075   12.008   29.855   1.4588   28.184   1.5927 1.670349 2.159871 
1 1 1   23   14    8 o   22.689   1.2337   69.754   7.4901   66.461   10.957   72.642   10.262   22.017   1.8706   23.072   1.6672 -1.054911 2.505721 
1 1 1   23   14    9 o   20.623   1.4549   57.883   8.0073   41.415   14.851   64.632   9.5077   16.905   3.3888   21.761   1.6387 -4.855501 3.764233 
1 1 1   23   14   10 o   18.249   1.6062   45.536   7.7926   38.302   10.871   53.182   11.176   16.496   2.5345   19.602   2.1586 -3.105522 3.329169 
1 1 1   23   14   11 o   17.353   1.5086   41.124   6.9614   38.571   10.195   43.354   9.5284   16.604   2.3519   17.703   2.0413 -1.099171 3.114251 
1 1 1   23   14   12 o   41.679   0.8796  234.062   9.8471  230.186   14.614  237.285   13.327   41.248   1.3191   41.909   1.1839 -0.6612167 1.772482 
1 1 1   23   14   13 o   9.1695   2.7509   11.818   7.3143   14.258   10.223   9.2584   10.470   10.161   3.2853   8.9491   3.3011 1.211787 4.657288 
1 1 1   23   14   14 o   20.842   1.3276   59.031   7.3934   60.277   10.545   57.825   10.369   20.936   1.8958   20.500   1.9050 0.4358215 2.687534 
1 1 1   23   14   15 o   22.754   1.2388   70.228   7.5422   67.114   10.932   73.056   10.419   22.105   1.8585   23.112   1.6901 -1.007387 2.512109 
1 1 1   23   14   16 o   16.980   1.6407   39.566   7.3894   48.086   10.476   31.128   10.425   18.608   2.1346   14.751   2.7318 3.856288 3.466917 
1 1 1   23   14   17 o   5.3056   2.3590  -2.2321   6.7492  -7.8552   8.5257   7.2069   11.046   5.2308   2.4451   8.5982   3.3390 -3.367390 4.138573 
1 1 1   23   14   18 f   17.284   1.5107   40.889   6.9429   35.516   9.2045   47.982   10.575   15.923   2.2119   18.564   2.1613 -2.641291 3.092525 
1 1 1   23   14   19 o   11.460   2.3740   18.792   7.0672   13.486   9.9745   24.140   10.015   9.8807   3.2482   12.871   2.9588 -2.990439 4.393767 
1 1 1   23   14   20 o   29.609   1.1302  118.562   8.9884  124.815   13.368  113.401   12.143   30.216   1.6534   28.821   1.5746 1.394957 2.283250 
1 1 1   23   14   21 o   40.273   0.9219  218.863   9.9717  224.671   13.470  211.820   14.833   40.727   1.2314   39.496   1.3982 1.230633 1.863152 
1 1 1   23   14   22 o   34.143   0.9622  157.404   8.8242  143.685   11.861  174.408   13.205   32.535   1.3573   35.841   1.3717 -3.305958 1.929779 
1 1 1   23   14   23 f   20.203   1.3811   55.688   7.4495   57.741   9.9183   53.030   11.284   20.457   1.8242   19.482   2.1946 0.9756088 2.853795 
1 1 1   23   14   24 o   12.356   2.2950   21.773   7.3360   20.264   10.150   23.422   10.614   11.730   3.1537   12.597   3.1464 -0.8674040 4.454855 
1 1 1   23   14   25 o   7.7420   2.7329   7.5489   7.0810   3.8102   9.8357   11.572   10.203   7.5455   3.0766   9.3756   3.2828 -1.830058 4.499142 
1 1 1   23   14   26 o   8.7747   2.7118   10.859   7.0378   16.387   9.6355   4.5374   10.304   10.616   3.1512   7.8166   3.1630 2.799077 4.464824 
1 1 1   23   14   27 o   6.1082   2.6350  -0.2551   7.8738   3.8492   10.540  -5.4382   11.844   7.7474   3.1748   6.7136   3.0431 1.033776 4.397717 
1 1 1   23   14   28 o   38.805   0.9214  203.305   9.6032  203.148   13.074  203.488   14.152   38.701   1.2577   38.701   1.3615 0.3967285E-03 1.853517 
1 1 1   23   14   29 o   13.963   1.9860   27.344   7.2385   32.228   9.6159   20.957   10.996   15.024   2.4687   11.884   3.3179 3.139579 4.135624 
1 1 1   23   14   30 o   12.935   2.6024   24.238   8.7281   31.952   11.542   13.933   13.340   14.747   3.0156   10.318   3.7383 4.428782 4.802966 
1 1 1   23   14   31 o   3.9555   1.9542 -16.3971   7.5773 -22.8517   10.017  -7.7637   11.585   4.4483   2.2064   6.3223   2.9189 -1.874073 3.659014 
1 1 1   23   14   32 o   26.108   1.3542   93.059   9.4635   85.922   12.281  103.490   14.848   24.907   1.8490   27.259   2.0429 -2.351519 2.755357 
1 1 1   23   14   33 o   4.9342   2.2971  -6.1154   7.4048  -0.5242   10.180 -12.3980   10.791   6.8026   2.9650   5.5344   2.6357 1.268117 3.967152 
1 1 1   23   14   34 o   16.103   2.1173   36.796   8.9358   33.332   13.464   39.524   11.946   14.706   3.4655   16.384   2.8161 -1.677370 4.465456 
1 1 1   23   14   35 f   27.412   1.6547  104.083   12.126   75.224   19.020  123.843   15.739   22.319   3.2698   29.716   1.9833 -7.397026 3.824329 
1 1 1   23   14   36 o   32.041   1.6158  142.290   13.860  145.467   21.160  139.903   18.344   31.722   2.5038   31.366   2.1911 0.3551846 3.327180 
1 1 1   23   14   37 o   11.026   3.6567   19.184   12.631   17.028   19.602   20.714   16.517   11.028   4.3972   11.447   4.1578 -0.4194593 6.051688 
1 1 1   23   14   38 f   16.613   3.6328   44.979   15.758   30.690   34.682   48.696   17.689   13.157   5.5996   17.037   3.9436 -3.880455 6.848888 
1 1 1   23   14   39 o   27.077   2.6599  109.903   19.095   0.0000   0.0000  109.903   19.095  ?   ?    27.077   2.6599 0.000000 2.659922 
1 1 1   23   14   40 o   15.683   5.3735   53.700   27.267   0.0000   0.0000   53.700   27.267  ?   ?    15.683   5.3735 0.000000 5.373547 
1 1 1   23   15  -34 o   19.094   3.2558   55.944   16.098   43.970   21.907   70.000   23.736   15.774   4.7672   20.352   4.4649 -4.577481 6.531582 
1 1 1   23   15  -33 o   22.930   2.1364   74.534   13.006   71.067   18.862   77.676   17.958   21.592   3.3618   22.857   2.9974 -1.264671 4.503978 
1 1 1   23   15  -32 o   5.5980   2.6827 -14.2893   11.558 -20.3166   17.211  -9.3377   15.600   6.7764   3.2544   7.2595   3.3641 -0.4830823 4.680580 
1 1 1   23   15  -31 o   7.4759   3.0915   3.5234   10.111  -6.1599   17.342   8.5104   12.445   8.0557   3.6633   8.9637   3.5259 -0.9079876 5.084432 
1 1 1   23   15  -30 o   13.460   2.8602   26.758   10.021   31.964   16.266   23.572   12.723   14.273   4.0535   12.433   3.6019 1.839750 5.422596 
1 1 1   23   15  -29 o   20.731   1.7441   59.417   9.6210   53.171   13.351   66.163   13.876   19.246   2.6534   21.605   2.4336 -2.358404 3.600406 
1 1 1   23   15  -28 o   12.648   2.7898   23.455   9.2225   32.338   13.575   15.840   12.568   14.629   3.5015   10.624   3.6479 4.004854 5.056425 
1 1 1   23   15  -27 o   7.7647   3.2514   2.7971   11.386  -5.3482   18.829   7.4930   14.296   8.6040   3.8740   9.2587   3.7331 -0.6546888 5.379934 
1 1 1   23   15  -26 o   27.573   1.5052  103.926   11.105  102.198   17.188  105.164   14.549   26.983   2.3966   27.563   1.9784 -0.5797424 3.107666 
1 1 1   23   15  -25 o   13.090   2.6250   24.803   8.9081   27.665   13.106   22.346   12.145   13.556   3.5555   12.237   3.5115 1.318859 4.997230 
1 1 1   23   15  -24 o   8.1023   2.9934   7.7173   8.6155  -1.0299   12.124   16.641   12.245   7.3857   3.2270   10.825   3.6010 -3.438845 4.835335 
1 1 1   23   15  -23 o   22.377   1.3956   68.344   8.3461   66.321   8.7352   89.550   28.277   22.018   1.4857   24.002   4.5530 -1.983294 4.789245 
1 1 1   23   15  -22 o   19.551   1.3252   52.139   6.9179   49.172   7.3648   74.388   20.165   18.953   1.4579   22.498   3.4470 -3.544771 3.742604 
1 1 1   23   15  -21 o   9.7771   2.5857   13.854   6.8941   7.4923   8.4532   26.490   11.914   8.0154   2.9643   13.335   3.3350 -5.319805 4.461962 
1 1 1   23   15  -20 o   10.299   2.2055   15.200   5.9172   7.0720   6.8490   39.123   11.750   7.5486   2.6853   16.495   2.7489 -8.946082 3.842866 
1 1 1   23   15  -19 o   33.298   0.9252  149.678   8.2745  149.291   12.213  150.008   11.250   33.152   1.3716   33.261   1.2593 -0.1091843 1.862022 
1 1 1   23   15  -18 o   31.321   1.1382  132.760   9.5747  122.545   14.498  140.661   12.751   29.863   1.8161   32.155   1.4764 -2.291721 2.340498 
1 1 1   23   15  -17 o   9.5397   2.4384   13.117   6.2717   6.7352   9.4720   18.098   8.3691   8.0852   3.1050   11.146   2.7993 -3.060975 4.180598 
1 1 1   23   15  -16 o   10.410   2.5415   15.661   7.0441   9.1511   11.286   19.816   9.0159   9.0256   3.4075   11.652   2.8939 -2.626861 4.470494 
1 1 1   23   15  -15 o   25.701   1.2154   89.428   8.3897   97.975   13.818   84.438   10.559   26.668   1.9425   24.854   1.5900 1.814226 2.510296 
1 1 1   23   15  -14 o   10.837   2.2065   16.734   6.2046   7.9099   8.6729   25.985   8.8801   8.2047   3.0079   13.477   2.5466 -5.271914 3.941099 
1 1 1   23   15  -13 o   18.419   1.3638   46.246   6.6990   43.165   9.7742   48.976   9.1995   17.610   2.1085   18.847   1.8408 -1.237263 2.798982 
1 1 1   23   15  -12 o   26.510   1.0587   94.915   7.5381  103.725   11.184   87.582   10.204   27.592   1.5150   25.350   1.5054 2.242197 2.135767 
1 1 1   23   15  -11 o   18.119   1.5135   44.885   7.2980   47.989   9.7386   40.907   11.022   18.626   1.9768   17.035   2.4819 1.591553 3.172955 
1 1 1   23   15  -10 o   17.857   1.4754   43.558   7.0132   48.723   9.8210   38.183   10.018   18.773   1.9775   16.499   2.3252 2.274124 3.052319 
1 1 1   23   15   -9 o   7.7813   2.6181   7.9376   6.4719   16.996   9.2205  -0.8588   9.0863   10.852   3.0413   6.4810   2.8132 4.370857 4.142908 
1 1 1   23   15   -8 o   22.257   1.1855   67.145   7.0611   55.383   10.738   76.108   9.3729   20.021   2.0246   23.640   1.4837 -3.618666 2.510015 
1 1 1   23   15   -7 o   13.210   1.9834   24.356   6.8201   5.4529   11.904   33.592   8.3211   8.4789   3.4107   15.542   2.0428 -7.063399 3.975677 
1 1 1   23   15   -6 o   12.580   2.1084   22.232   6.8721   13.059   11.773   26.972   8.4635   10.050   3.5260   13.818   2.3654 -3.768209 4.245958 
1 1 1   23   15   -5 o   49.082   0.8372  324.542   11.036  329.976   16.553  320.192   14.808   49.397   1.2476   48.689   1.1323 0.7081070 1.684863 
1 1 1   23   15   -4 o   58.383   0.8355  459.178   13.101  456.970   19.460  461.008   17.718   58.132   1.2463   58.425   1.1291 -0.2922592 1.681734 
1 1 1   23   15   -3 o   15.691   1.6065   33.777   6.6749   44.079   10.462   26.704   8.6684   17.791   2.2390   13.732   2.4396 4.058548 3.311319 
1 1 1   23   15   -2 o   18.812   1.3733   48.169   6.8909   52.015   10.916   45.621   8.8848   19.378   2.1327   18.207   1.8422 1.170696 2.818170 
1 1 1   23   15   -1 o   32.541   1.0123  142.846   8.8474  149.551   14.989  139.261   10.960   33.122   1.6905   32.089   1.2717 1.033646 2.115427 
1 1 1   23   15    0 o   4.7872   2.1861  -3.9645   6.2589  -6.8099   10.030  -2.1499   8.0097   5.9621   2.7393   5.8600   2.5894 0.1020927 3.769411 
1 1 1   23   15    1 o   30.288   1.0305  123.775   8.3831  106.229   13.716  134.238   10.592   27.860   1.8433   31.508   1.2516 -3.648230 2.228081 
1 1 1   23   15    2 o   9.7392   2.5185   13.578   6.6369   20.791   10.417   8.6486   8.6109   11.966   3.1849   8.4194   3.0093 3.546762 4.381712 
1 1 1   23   15    3 o   12.347   2.3935   21.659   7.6512   21.049   10.891   22.253   10.751   12.035   3.2798   12.366   3.2091 -0.3311043 4.588589 
1 1 1   23   15    4 o   22.144   1.4567   66.753   8.6159   76.046   11.681   55.665   12.759   23.545   1.8623   19.964   2.4296 3.581440 3.061277 
1 1 1   23   15    5 o   39.951   0.9506  215.214   10.200  212.215   14.490  218.160   14.361   39.587   1.3627   40.146   1.3318 -0.5581360 1.905468 
1 1 1   23   15    6 o   9.8114   2.7969   13.738   7.7294   27.588   12.415   4.9711   9.8772   13.720   3.3889   7.8531   3.1245 5.867294 4.609471 
1 1 1   23   15    7 o   25.190   1.2048   85.781   8.1515   96.527   12.717   78.286   10.620   26.557   1.7933   23.937   1.6622 2.619383 2.445146 
1 1 1   23   15    8 o   11.547   2.3124   18.965   6.9220   20.101   9.7714   17.820   9.8070   11.764   3.0626   11.108   3.1449 0.6562223 4.389730 
1 1 1   23   15    9 o   30.525   1.0365  125.771   8.4984  121.872   12.158  129.497   11.884   29.925   1.5176   30.903   1.4318 -0.9784889 2.086393 
1 1 1   23   15   10 o   28.270   1.0507  107.903   7.9784  104.577   11.948  110.578   10.718   27.687   1.6138   28.561   1.3972 -0.8741283 2.134542 
1 1 1   23   15   11 o   5.4751   2.4185  -1.8594   6.9813   0.7488   9.5555  -4.8456   10.224   6.9195   2.9420   6.2773   2.8379 0.6421556 4.087659 
1 1 1   23   15   12 o   44.166   0.8695  262.961   10.314  256.285   15.306  268.514   13.959   43.497   1.3101   44.562   1.1663 -1.065434 1.754033 
1 1 1   23   15   13 o   19.039   1.4415   49.479   7.3168   59.914   10.638   40.109   10.080   20.840   1.9222   16.917   2.2762 3.922943 2.979212 
1 1 1   23   15   14 o   13.600   2.0423   25.915   7.2299   26.258   10.818   25.638   9.7189   13.402   3.0712   13.310   2.8069 0.9166718E-01 4.160653 
1 1 1   23   15   15 o   8.8587   2.7706   10.969   7.3215   13.872   9.6638   7.0582   11.217   9.9453   3.1920   8.5800   3.3557 1.365284 4.631323 
1 1 1   23   15   16 o   39.294   0.9421  208.402   9.9428  219.922   14.694  198.673   13.504   40.257   1.3590   38.276   1.3135 1.981228 1.890009 
1 1 1   23   15   17 o   6.8236   2.6425   4.4189   6.9033   2.4874   9.8896   6.2543   9.6407   7.3168   3.0441   8.0188   3.1179 -0.7019291 4.357533 
1 1 1   23   15   18 o   18.511   1.7075   47.192   8.3939   49.535   13.182   45.595   10.886   18.632   2.7137   18.011   2.3030 0.6211376 3.559222 
1 1 1   23   15   19 o   12.268   2.3883   21.567   7.5869   24.969   10.889   18.356   10.577   13.003   3.1507   11.196   3.2958 1.806745 4.559577 
1 1 1   23   15   20 o   40.981   0.9683  226.854   10.658  216.069   14.958  237.974   15.189   39.870   1.3968   41.858   1.3510 -1.988453 1.943272 
1 1 1   23   15   21 o   47.188   0.9389  300.697   11.900  318.205   17.744  286.384   16.044   48.393   1.3651   45.935   1.3004 2.458763 1.885357 
1 1 1   23   15   22 o   24.336   1.2333   80.509   8.0352   92.886   11.161   67.191   11.577   26.039   1.6036   22.012   1.9794 4.027540 2.547469 
1 1 1   23   15   23 o   4.9337   2.2691  -4.7720   6.9070 -12.2746   9.2426   4.7171   10.394   5.0076   2.3996   7.8662   3.1791 -2.858680 3.983033 
1 1 1   23   15   24 o   18.075   1.5357   44.850   7.3848   44.271   9.8539   45.591   11.154   17.791   2.1029   17.964   2.3696 -0.1729622 3.168134 
1 1 1   23   15   25 o   12.005   2.4028   20.728   7.4776   32.680   10.283   7.3179   10.893   15.070   2.6366   8.5129   3.3131 6.557099 4.234125 
1 1 1   23   15   26 o   23.447   1.4033   75.052   8.7967   73.186   10.467   79.541   16.232   23.065   1.7016   23.693   2.5930 -0.6278496 3.101485 
1 1 1   23   15   27 o   8.9097   2.9266   11.003   8.0978   3.8204   10.582   21.152   12.580   7.7296   3.1759   11.918   3.6149 -4.188166 4.811842 
1 1 1   23   15   28 o   14.276   2.3684   29.118   8.7630   31.427   11.164   25.414   14.143   14.629   2.9432   12.929   3.8125 1.700280 4.816424 
1 1 1   23   15   29 o   32.081   1.2231  139.763   10.539  139.488   13.506  140.192   16.852   31.933   1.5746   31.788   1.9836 0.1449165 2.532605 
1 1 1   23   15   30 o   7.2557   2.6718   6.2274   6.8541   3.2273   9.1241   10.113   10.384   7.1610   2.9465   8.9622   3.2904 -1.801278 4.416826 
1 1 1   23   15   31 o   5.3040   2.3485  -1.6323   6.6213   5.0583   8.6038 -11.3505   10.369   7.3866   2.9233   5.4816   2.6028 1.905016 3.914166 
1 1 1   23   15   32 o   7.5192   2.8683   6.3056   8.0491   15.275   11.009  -3.9948   11.798   10.212   3.4148   6.7738   3.0567 3.438247 4.583067 
1 1 1   23   15   33 o   8.1857   3.1707   7.5415   9.9404   9.9500   16.706   6.2214   12.368   9.8176   4.0071   8.4306   3.4452 1.386934 5.284539 
1 1 1   23   15   34 o   25.203   1.8828   89.241   12.653   88.832   18.764   89.583   17.135   24.418   2.9189   24.757   2.6165 -0.3392448 3.919970 
1 1 1   23   15   35 o   19.424   2.5728   55.651   13.092   82.832   26.969   47.270   14.975   21.656   4.7659   17.375   3.3300 4.280170 5.813981 
1 1 1   23   15   36 o   7.7800   3.5547  -4.2176   16.575   0.0000   0.0000  -4.2176   16.575  ?   ?    7.7800   3.5547 0.000000 3.554699 
1 1 1   23   15   37 o   10.224   4.0130   15.471   16.090   0.0000   0.0000   15.471   16.090  ?   ?    10.224   4.0130 0.000000 4.013004 
1 1 1   23   15   38 o   13.732   5.0695   39.120   24.701   0.0000   0.0000   39.120   24.701  ?   ?    13.732   5.0695 0.000000 5.069468 
1 1 1   23   15   39 o   7.2882   3.5503 -23.2700   22.396   0.0000   0.0000 -23.2700   22.396  ?   ?    7.2882   3.5503 0.000000 3.550252 
1 1 1   23   16  -32 o   15.073   3.6302   36.492   14.522   45.339   17.957   19.770   24.687   16.512   4.0740   11.861   4.8596 4.650826 6.341380 
1 1 1   23   16  -31 o   19.924   2.4246   57.410   12.707   82.087   18.673   36.124   17.342   23.426   3.0393   14.754   4.1838 8.672445 5.171196 
1 1 1   23   16  -30 o   31.848   1.4687  139.158   12.563  130.028   21.745  143.733   15.392   29.917   2.7364   32.158   1.7891 -2.241053 3.269390 
1 1 1   23   16  -29 o   31.661   1.4727  137.296   12.523  140.884   20.942  135.298   15.625   31.417   2.5025   31.192   1.8737 0.2255363 3.126258 
1 1 1   23   16  -28 o   20.506   1.9294   58.717   10.502   68.854   14.037   45.831   15.826   21.992   2.4163   17.344   3.5178 4.648346 4.267685 
1 1 1   23   16  -27 o   21.401   1.7223   63.338   9.8162   59.750   14.389   66.460   13.425   20.366   2.6969   21.667   2.3443 -1.301153 3.573375 
1 1 1   23   16  -26 o   22.967   1.5983   72.537   9.7982   66.269   14.152   78.308   13.579   21.593   2.4855   23.645   2.1621 -2.051619 3.294295 
1 1 1   23   16  -25 o   15.478   2.7657   34.810   11.076   23.901   21.597   38.703   12.902   12.909   4.7444   16.207   3.0763 -3.298416 5.654447 
1 1 1   23   16  -24 o   7.1350   2.8965   3.6110   8.6703  -6.5786   12.535   12.958   12.005   6.7679   3.0919   9.9092   3.5520 -3.141278 4.709201 
1 1 1   23   16  -23 o   46.228   0.8721  288.494   10.828  283.813   13.319  297.619   18.596   45.786   1.0831   46.724   1.4818 -0.9372978 1.835451 
1 1 1   23   16  -22 o   14.547   2.1528   29.882   8.1574   29.852   9.2395   29.987   17.371   14.433   2.4724   13.945   4.2519 0.4878807 4.918462 
1 1 1   23   16  -21 o   17.639   1.6943   42.962   7.9283   52.941   10.085   26.819   12.827   19.515   1.9502   13.337   3.5268 6.177932 4.030124 
1 1 1   23   16  -20 o   11.982   2.1395   20.420   6.6329   25.970   9.6723   15.494   9.1133   13.338   2.7896   10.313   3.0653 3.024890 4.144666 
1 1 1   23   16  -19 o   12.071   2.5617   21.125   8.0484   24.286   12.327   18.776   10.626   12.719   3.4989   11.278   3.2987 1.441129 4.808674 
1 1 1   23   16  -18 o   33.611   0.9806  152.685   8.8526  151.913   12.771  153.398   12.283   33.409   1.4232   33.591   1.3614 -0.1818504 1.969439 
1 1 1   23   16  -17 o   44.327   0.8516  265.129   10.139  270.511   15.335  260.948   13.516   44.642   1.2789   43.892   1.1465 0.7504463 1.717557 
1 1 1   23   16  -16 o   13.109   2.0199   24.189   6.8835   29.064   9.5258   18.861   9.9581   14.210   2.5912   11.312   3.1572 2.898339 4.084434 
1 1 1   23   16  -15 o   7.4688   2.6639   6.8958   6.7444  -6.1425   10.108   17.360   9.0551   6.0276   2.7621   10.883   3.0008 -4.855784 4.078484 
1 1 1   23   16  -14 o   19.378   1.4841   51.411   7.6660   57.819   12.154   47.177   9.8787   20.312   2.2664   18.404   2.0324 1.908625 3.044214 
1 1 1   23   16  -13 o   5.7409   2.4180   0.8360   6.3565   0.9146   9.4953   0.7722   8.5566   6.8930   2.9317   6.5508   2.7846 0.3421588 4.043359 
1 1 1   23   16  -12 o   20.473   1.4149   57.229   7.7325   55.186   11.802   58.766   10.235   19.855   2.2530   20.624   1.8680 -0.7689438 2.926670 
1 1 1   23   16  -11 f   53.421   0.9508  385.294   13.642  418.722   22.225  365.087   17.280   55.475   1.4916   51.905   1.2395 3.570431 1.939367 
1 1 1   23   16  -10 o   17.034   1.8772   40.211   8.4461   30.853   11.550   50.967   12.383   14.527   3.0570   19.001   2.4859 -4.474188 3.940212 
1 1 1   23   16   -9 o   26.256   1.2237   93.369   8.6295   89.486   13.420   96.107   11.268   25.461   1.9779   26.516   1.5895 -1.055811 2.537427 
1 1 1   23   16   -8 o   19.768   1.4496   53.366   7.6431   46.247   12.659   57.450   9.5879   18.021   2.6983   20.434   1.7642 -2.413301 3.223850 
1 1 1   23   16   -7 o   16.285   1.6041   36.449   6.9249   43.213   10.535   31.303   9.1891   17.553   2.2890   14.870   2.3811 2.683110 3.302962 
1 1 1   23   16   -6 o   29.190   1.0169  115.068   7.9728  129.916   12.216  104.050   10.523   30.923   1.4708   27.649   1.4218 3.273701 2.045695 
1 1 1   23   16   -5 o   40.250   0.8834  218.477   9.5504  234.724   14.440  205.846   12.733   41.622   1.2917   38.997   1.2156 2.624641 1.773771 
1 1 1   23   16   -4 o   29.608   1.0193  118.376   8.1060  122.509   12.354  115.252   10.741   29.978   1.5395   29.150   1.3719 0.8276634 2.062127 
1 1 1   23   16   -3 o   18.158   1.4452   45.037   6.9898   46.232   10.848   44.189   9.1401   18.180   2.2711   17.866   1.9356 0.3140068 2.984032 
1 1 1   23   16   -2 o   28.866   0.9633  112.440   7.4683  108.420   10.462  116.617   10.664   28.274   1.3777   29.328   1.3538 -1.054241 1.931531 
1 1 1   23   16   -1 o   34.462   0.8762  160.128   8.1106  155.477   11.438  164.831   11.503   33.886   1.2567   34.897   1.2272 -1.011135 1.756498 
1 1 1   23   16    0 o   32.552   0.9493  142.968   8.2998  149.350   12.344  137.702   11.213   33.183   1.3850   31.879   1.3095 1.303492 1.906050 
1 1 1   23   16    1 o   23.964   1.2477   77.952   8.0032   84.196   10.886   70.605   11.807   24.813   1.6426   22.623   1.9625 2.189600 2.559264 
1 1 1   23   16    2 o   10.836   2.4595   16.878   6.9945   14.775   9.5362   19.328   10.290   10.200   3.1574   11.511   3.2083 -1.310546 4.501354 
1 1 1   23   16    3 o   23.183   1.2290   72.947   7.6255   87.879   11.202   60.054   10.409   25.347   1.6545   20.875   1.8766 4.472696 2.501832 
1 1 1   23   16    4 o   29.165   0.9770  114.810   7.6536  118.709   10.783  110.853   10.865   29.587   1.3569   28.579   1.4154 1.007904 1.960775 
1 1 1   23   16    5 o   31.326   1.0731  132.600   9.0294  134.242   13.997  131.430   11.817   31.342   1.6687   31.118   1.4139 0.2238255 2.187152 
1 1 1   23   16    6 o   30.567   1.1368  126.357   9.3331  138.342   13.960  116.672   12.550   31.825   1.6388   29.230   1.6047 2.595213 2.293575 
1 1 1   23   16    7 o   6.2497   2.6487   0.7168   7.7035  -4.7231   9.9681   8.7839   12.139   6.1873   2.7992   9.1311   3.5130 -2.943852 4.491884 
1 1 1   23   16    8 o   44.145   0.9174  262.945   10.877  271.461   15.534  254.755   15.235   44.752   1.2924   43.348   1.3086 1.403976 1.839177 
1 1 1   23   16    9 o   17.201   1.6219   40.669   7.4048   40.470   10.374   40.876   10.573   16.953   2.3407   17.028   2.3765 -0.7431984E-01 3.335678 
1 1 1   23   16   10 o   14.754   1.8265   30.222   7.0834   34.396   10.464   26.691   9.6239   15.516   2.6029   13.589   2.7315 1.927249 3.773115 
1 1 1   23   16   11 f   6.2704   2.5494   2.4722   6.7288   4.3224   9.5905   0.6784   9.4431   7.5884   3.0583   6.8409   2.9169 0.7475505 4.226305 
1 1 1   23   16   12 o   5.5111   2.4012  -0.8743   6.6704   2.9061   9.3455  -4.8003   9.5238   7.2252   2.9785   6.0008   2.7234 1.224408 4.035899 
1 1 1   23   16   13 o   32.187   1.0688  140.109   9.2396  146.678   14.244  135.336   12.140   32.786   1.6175   31.547   1.4328 1.239471 2.160815 
1 1 1   23   16   14 o   17.478   1.9749   42.516   9.1084   44.081   11.568   39.963   14.775   17.617   2.5163   16.384   3.4658 1.233080 4.282910 
1 1 1   23   16   15 o   25.848   1.2673   90.643   8.7985  109.795   13.778   77.454   11.434   28.240   1.8262   23.705   1.8094 4.534739 2.570841 
1 1 1   23   16   16 o   16.784   1.7919   39.026   7.9533   42.363   12.305   36.632   10.423   17.158   2.7641   16.027   2.5032 1.130970 3.729055 
1 1 1   23   16   17 o   16.058   1.9098   35.917   8.0757   33.217   12.599   37.799   10.521   14.974   3.2277   16.288   2.4835 -1.314049 4.072603 
1 1 1   23   16   18 o   6.4473   2.7034   1.4904   7.8884 -14.7803   12.455   12.389   10.193   5.9193   2.8225   9.5555   3.2849 -3.636214 4.330994 
1 1 1   23   16   19 o   27.916   1.2537  105.762   9.4003   98.350   14.501  111.134   12.346   26.620   2.0437   28.474   1.6210 -1.853384 2.608500 
1 1 1   23   16   20 o   17.044   1.7524   40.215   7.9083   49.950   11.099   30.174   11.272   18.852   2.2355   14.317   3.0259 4.535172 3.762128 
1 1 1   23   16   21 o   9.2563   2.6707   12.364   7.0074   24.244   9.3578  -2.8028   10.573   12.878   2.7864   6.6316   2.9504 6.246267 4.058185 
1 1 1   23   16   22 o   5.9916   2.5488   0.5582   7.1787   10.438   9.0232 -16.4787   11.849   8.8761   3.0884   5.5669   2.6803 3.309274 4.089278 
1 1 1   23   16   23 o   18.402   1.5999   46.607   7.8288   46.841   9.7627   46.184   13.104   18.320   2.0175   17.879   2.8225 0.4409542 3.469420 
1 1 1   23   16   24 o   35.631   1.1833  172.180   11.325  183.144   14.117  152.390   18.967   36.665   1.4336   33.091   2.1456 3.573421 2.580441 
1 1 1   23   16   25 o   19.725   1.5483   53.468   8.1367   45.667   10.062   68.209   13.832   18.038   2.1171   21.976   2.3814 -3.938168 3.186348 
1 1 1   23   16   26 o   7.7279   2.8116   7.2937   7.5576   1.5716   10.099   14.576   11.393   7.1540   3.0323   10.184   3.4736 -3.029568 4.610940 
1 1 1   23   16   27 o   13.587   2.2933   26.446   8.0714   27.449   11.320   25.409   11.512   13.521   3.1718   12.964   3.2981 0.5573778 4.575798 
1 1 1   23   16   28 o   32.713   1.0159  144.972   8.9257  138.771   12.042  152.533   13.297   31.879   1.4064   33.391   1.4826 -1.512674 2.043525 
1 1 1   23   16   29 o   15.542   1.7853   33.783   7.3176   37.149   9.8576   29.650   10.921   16.087   2.3508   14.073   2.9820 2.013813 3.797149 
1 1 1   23   16   30 o   19.803   1.6576   54.460   8.7354   54.834   12.212   54.068   12.500   19.543   2.3754   19.361   2.4592 0.1819668 3.419092 
1 1 1   23   16   31 o   12.548   2.7954   23.712   9.1800   11.615   13.305   34.703   12.682   9.5613   3.6781   15.003   3.2418 -5.442065 4.902837 
1 1 1   23   16   32 o   10.227   3.7324   15.273   13.333   33.094   25.477   8.5510   15.647   13.684   5.1292   9.3199   3.8492 4.364393 6.412911 
1 1 1   23   16   33 o   23.754   2.4538   82.473   15.430   83.840   32.694   82.082   17.502   20.403   5.7300   23.381   2.8456 -2.978230 6.397632 
1 1 1   23   16   34 o   12.195   3.9594   25.225   14.838   0.0000   0.0000   25.225   14.838  ?   ?    12.195   3.9594 0.000000 3.959393 
1 1 1   23   16   35 o   24.819   3.0158   95.477   19.691   0.0000   0.0000   95.477   19.691  ?   ?    24.819   3.0158 0.000000 3.015848 
1 1 1   23   16   36 o   27.369   4.1467  131.300   29.528   0.0000   0.0000  131.300   29.528  ?   ?    27.369   4.1467 0.000000 4.146724 
1 1 1   23   17  -31 o   22.391   3.2443   78.110   18.943   78.110   18.943   0.0000   0.0000   22.391   3.2443  ?   ?  0.000000 3.244274 
1 1 1   23   17  -30 o   12.628   3.8035   26.222   13.963   24.072   18.599   29.000   21.135   12.092   4.4090   12.950   4.7034 -0.8583212 6.446799 
1 1 1   23   17  -29 o   43.462   1.3574  259.186   15.845  258.416   25.728  259.657   20.112   42.556   2.2589   43.214   1.7328 -0.6573753 2.846983 
1 1 1   23   17  -28 o   14.653   2.7065   31.872   10.259   11.137   16.961   43.837   12.883   10.013   4.0560   17.129   2.9041 -7.115727 4.988427 
1 1 1   23   17  -27 o   10.724   3.4207   17.360   11.112   5.3144   17.181   26.021   14.569   9.2824   3.9457   12.810   3.8912 -3.527945 5.541700 
1 1 1   23   17  -26 o   23.479   1.7617   76.532   11.029   72.984   18.828   78.385   13.608   22.082   3.2737   23.565   2.1745 -1.483597 3.930045 
1 1 1   23   17  -25 o   20.309   1.7898   57.323   9.6634   59.926   14.200   55.078   13.188   20.372   2.6585   19.562   2.5724 0.8098183 3.699344 
1 1 1   23   17  -24 o   12.353   2.0206   21.668   6.4722   20.578   7.2125   26.174   14.667   11.931   2.3342   13.000   3.8943 -1.068785 4.540291 
1 1 1   23   17  -23 o   24.503   1.3118   81.943   8.6021   80.653   10.943   84.029   13.916   24.180   1.6957   24.496   2.1365 -0.3164768 2.727626 
1 1 1   23   17  -22 o   35.009   1.0791  166.051   10.147  155.688   13.018  182.098   16.199   33.786   1.4346   36.447   1.6547 -2.661140 2.190005 
1 1 1   23   17  -21 o   8.7609   2.9264   10.573   8.0848   12.027   9.6776   7.2137   14.710   9.3623   3.2013   9.2589   3.7674 0.1034307 4.943864 
1 1 1   23   17  -20 o   8.4016   2.6038   9.9851   6.4833   5.3893   9.6292   13.796   8.7687   7.7740   3.0876   9.7770   3.0279 -2.003005 4.324476 
1 1 1   23   17  -19 o   14.609   1.7921   29.726   6.8846   29.609   10.209   29.824   9.3234   14.252   2.7668   14.402   2.5009 -0.1502314 3.729624 
1 1 1   23   17  -18 o   9.9337   2.5713   14.384   6.9138   6.3698   9.7367   22.533   9.8190   8.0170   3.1289   12.334   2.9940 -4.317284 4.330616 
1 1 1   23   17  -17 o   22.960   1.2814   71.840   7.8710   74.555   11.012   69.004   11.255   23.238   1.7777   22.309   1.8962 0.9287415 2.599234 
1 1 1   23   17  -16 o   10.204   2.6271   15.204   7.2431   14.935   9.4127   15.596   11.341   10.150   3.1360   10.458   3.4648 -0.3082905 4.673306 
1 1 1   23   17  -15 o   21.870   1.4402   65.440   8.4128   72.504   10.855   54.816   13.313   22.918   1.7773   19.601   2.5924 3.317457 3.143153 
1 1 1   23   17  -14 o   24.089   1.3212   79.107   8.5157   70.893   11.051   91.115   13.361   22.643   1.8328   25.639   1.9550 -2.996033 2.679759 
1 1 1   23   17  -13 o   4.4165   2.1131  -9.3455   7.1059  -9.0774   10.323  -9.5869   9.7963   5.7418   2.6860   5.4915   2.5840 0.2503572 3.727215 
1 1 1   23   17  -12 o   22.902   1.3350   71.530   8.1762   58.300   11.559   84.777   11.567   20.417   2.1396   24.810   1.7470 -4.392578 2.762206 
1 1 1   23   17  -11 o   33.564   1.0027  152.321   9.0396  155.247   13.137  149.689   12.458   33.761   1.4488   33.167   1.3984 0.5939178 2.013586 
1 1 1   23   17  -10 o   52.670   0.9331  374.730   13.200  361.158   20.910  383.721   17.020   51.464   1.5127   53.201   1.1911 -1.736435 1.925382 
1 1 1   23   17   -9 o   30.985   1.1030  129.970   9.1796  130.321   12.460  129.554   13.576   30.921   1.5002   30.741   1.6502 0.1801910 2.230241 
1 1 1   23   17   -8 o   8.5144   2.8161   9.9139   7.4933   2.1300   9.8919   20.395   11.479   7.2253   3.0284   11.728   3.4280 -4.502964 4.574067 
1 1 1   23   17   -7 o   24.199   1.1811   79.353   7.6767   93.583   11.368   67.425   10.408   26.126   1.6281   22.117   1.7668 4.008358 2.402599 
1 1 1   23   17   -6 o   11.729   2.0736   19.503   6.2938   21.146   8.5073   17.516   9.3544   12.050   2.6959   10.926   3.0638 1.124516 4.080986 
1 1 1   23   17   -5 f   25.083   1.0953   85.142   7.3792   88.294   10.416   81.966   10.456   25.407   1.5335   24.456   1.6006 0.9507332 2.216689 
1 1 1   23   17   -4 o   22.704   1.1876   70.033   7.2173   71.553   10.149   68.478   10.266   22.825   1.6669   22.308   1.7268 0.5164871 2.400140 
1 1 1   23   17   -3 o   17.380   1.5463   41.486   7.1428   43.827   10.634   39.562   9.6415   17.641   2.2990   16.783   2.1912 0.8575706 3.175972 
1 1 1   23   17   -2 o   26.666   1.1110   96.234   7.9576   93.160   11.954   98.680   10.663   26.044   1.7186   26.883   1.4825 -0.8390636 2.269696 
1 1 1   23   17   -1 o   5.1210   2.3098  -3.1212   6.7278  -5.9323   10.311  -1.0368   8.8783   6.1293   2.8017   6.3366   2.7652 -0.2072735 3.936500 
1 1 1   23   17    0 o   21.706   1.4110   64.321   8.1814   60.564   11.095   68.798   12.113   20.887   2.0021   22.256   2.0493 -1.369070 2.864979 
1 1 1   23   17    1 o   18.418   1.5565   46.560   7.6279   52.006   12.396   43.241   9.6769   19.179   2.4633   17.592   2.0888 1.586864 3.229702 
1 1 1   23   17    2 o   16.842   1.5474   38.977   6.9215   37.611   10.205   40.141   9.4191   16.286   2.4053   16.932   2.1175 -0.6455173 3.204540 
1 1 1   23   17    3 o   14.436   2.0266   29.223   7.6415   42.656   12.951   22.049   9.4644   17.168   2.9127   12.259   2.9168 4.909482 4.122069 
1 1 1   23   17    4 o   26.805   1.2557   97.456   9.0405   89.193   16.003  101.329   10.956   25.217   2.3913   27.234   1.5036 -2.016914 2.824736 
1 1 1   23   17    5 f   34.778   1.0508  163.579   9.8157  157.689   15.874  167.226   12.490   33.894   1.7496   35.091   1.3251 -1.197067 2.194822 
1 1 1   23   17    6 o   7.1428   2.6297   5.8895   6.6390   8.7142   9.2125   2.8375   9.5760   8.4787   3.1013   7.2681   3.0073 1.210659 4.319933 
1 1 1   23   17    7 o   13.263   2.0318   24.767   7.0076   26.128   9.1074   22.791   10.971   13.448   2.6156   12.382   3.2557 1.065616 4.176263 
1 1 1   23   17    8 o   20.877   1.3783   59.509   7.6853   54.398   9.8669   67.394   12.254   19.816   1.8762   21.994   2.0999 -2.178183 2.815907 
1 1 1   23   17    9 o   9.4784   2.7631   12.968   7.4662   26.639   10.758   0.2658   10.370   13.434   3.0511   7.0451   3.0316 6.388823 4.301177 
1 1 1   23   17   10 o   23.589   1.4428   76.041   9.0971   72.651   11.782   81.046   14.316   22.898   1.9337   24.070   2.2401 -1.172592 2.959274 
1 1 1   23   17   11 o   37.932   0.9661  194.447   9.8423  187.644   14.020  201.057   13.820   37.132   1.4057   38.460   1.3379 -1.328205 1.940631 
1 1 1   23   17   12 o   42.432   1.1314  243.912   12.894  247.585   16.199  237.561   21.300   42.646   1.4143   41.544   1.9089 1.102257 2.375706 
1 1 1   23   17   13 o   19.111   1.5158   50.125   7.7167   60.878   10.981   39.634   10.846   20.925   1.9773   16.663   2.5006 4.261572 3.187918 
1 1 1   23   17   14 o   25.180   1.2147   86.026   8.2152   97.527   11.881   75.491   11.372   26.641   1.6688   23.373   1.8259 3.268694 2.473651 
1 1 1   23   17   15 o   29.723   1.1714  119.788   9.3513  121.128   13.154  118.419   13.296   29.704   1.6554   29.354   1.6936 0.3499203 2.368237 
1 1 1   23   17   16 o   13.096   2.3251   24.542   7.8788   33.047   11.699   17.484   10.658   14.985   3.0113   10.907   3.3316 4.078275 4.490801 
1 1 1   23   17   17 o   18.081   1.7217   45.209   8.2604   32.878   10.815   62.476   12.798   15.034   2.7808   21.065   2.2992 -6.031404 3.608214 
1 1 1   23   17   18 o   27.695   1.3506  104.348   10.047   96.454   14.896  110.938   13.609   26.301   2.1268   28.364   1.7955 -2.063126 2.783393 
1 1 1   23   17   19 o   5.6774   2.5408  -2.8128   7.9659   0.5190   10.560  -7.2127   12.135   7.1281   3.0631   6.5641   3.0148 0.5639911 4.297857 
1 1 1   23   17   20 o   21.263   1.5310   62.051   8.6854   52.010   11.582   74.954   13.129   19.197   2.2915   23.157   2.1349 -3.959539 3.131896 
1 1 1   23   17   21 o   16.816   1.8027   39.296   8.0153   45.764   11.072   32.172   11.619   17.964   2.3510   14.755   3.0333 3.209530 3.837721 
1 1 1   23   17   22 o   29.767   1.1328  120.156   9.0571  118.745   12.436  121.749   13.217   29.419   1.5796   29.757   1.6603 -0.3379745 2.291683 
1 1 1   23   17   23 o   9.3126   2.7373   12.603   7.3008   11.911   8.9222   14.005   12.701   9.2235   3.0740   10.179   3.6530 -0.9551764 4.774266 
1 1 1   23   17   24 o   27.814   1.2116  105.141   9.0512  114.099   12.742   96.017   12.859   28.782   1.6552   26.322   1.8303 2.460680 2.467746 
1 1 1   23   17   25 o   8.9369   2.8812   11.390   7.8671   12.043   10.914   10.683   11.351   9.4631   3.3872   9.2173   3.4298 0.2457514 4.820477 
1 1 1   23   17   26 o   36.527   0.9881  180.790   9.6943  181.576   13.078  179.832   14.443   36.472   1.3350   36.228   1.4843 0.2445717 1.996352 
1 1 1   23   17   27 o   8.0300   2.7392   8.8513   7.0852   11.732   9.2861   4.8372   10.961   9.1271   3.1355   7.8920   3.2363 1.235062 4.506065 
1 1 1   23   17   28 o   13.347   2.4093   26.054   8.3192   9.0426   11.441   45.143   12.119   8.7731   3.4006   17.526   2.6578 -8.753321 4.315996 
1 1 1   23   17   29 o   19.041   2.1823   51.961   10.959   39.147   16.973   61.121   14.351   15.362   4.0543   20.353   2.6912 -4.990914 4.866244 
1 1 1   23   17   30 o   10.825   3.5831   18.426   12.130   15.700   33.544   18.836   13.010   11.990   5.2984   10.934   3.7119 1.055121 6.469271 
1 1 1   23   17   31 o   11.817   3.7809   23.082   13.567   17.840   32.260   24.208   14.953   11.881   5.2256   12.017   3.9784 -0.1359243 6.567702 
1 1 1   23   17   32 o   6.5723   3.0497  -6.7758   12.884 -28.4800   25.975   0.3071   14.839   7.8354   3.8182   7.8501   3.4938 -0.1473570E-01 5.175448 
1 1 1   23   17   33 o   11.504   4.2430   23.125   17.295   0.0000   0.0000   23.125   17.295  ?   ?    11.504   4.2430 0.000000 4.242958 
1 1 1   23   18  -30 o   19.790   5.1131   77.420   27.372   77.420   27.372   0.0000   0.0000   19.790   5.1131  ?   ?  0.000000 5.113127 
1 1 1   23   18  -29 o   8.3170   3.6977   1.2319   16.580   1.2319   16.580   0.0000   0.0000   8.3170   3.6977  ?   ?  0.000000 3.697735 
1 1 1   23   18  -28 o   10.362   4.2126   14.161   18.370   14.161   18.370   0.0000   0.0000   10.362   4.2126  ?   ?  0.000000 4.212574 
1 1 1   23   18  -27 o   7.2760   3.1115   2.2065   10.801  -0.3844   16.806   4.0295   14.098   8.3106   3.7070   8.3179   3.5558 -0.7349014E-02 5.136703 
1 1 1   23   18  -26 o   12.545   3.1226   24.401   10.480   32.936   18.196   20.164   12.820   13.908   4.3707   11.311   3.6807 2.597159 5.714069 
1 1 1   23   18  -25 o   13.139   3.0283   26.355   10.467   32.549   17.856   23.112   12.920   13.964   4.3201   12.088   3.6628 1.875919 5.663908 
1 1 1   23   18  -24 o   6.7128   2.9276  -0.2628   9.9384   37.385   17.345 -18.6649   12.126   15.125   4.1460   5.4141   2.6317 9.711200 4.910680 
1 1 1   23   18  -23 o   22.082   2.4911   70.068   14.517   49.200   31.643   75.631   16.337   16.396   5.7784   22.812   2.7200 -6.416430 6.386549 
1 1 1   23   18  -22 o   6.6569   2.6972   3.3035   7.5030  -8.2701   9.6052   21.420   12.017   5.5271   2.5873   11.826   3.5211 -6.299160 4.369478 
1 1 1   23   18  -21 o   3.9765   1.9243  -9.8092   6.2992   1.1371   9.2394 -19.3165   8.6107   6.7774   2.8875   4.1439   2.0537 2.633500 3.543343 
1 1 1   23   18  -20 o   35.662   1.0047  172.225   9.6234  183.986   14.069  161.885   13.192   36.704   1.4271   34.430   1.4266 2.274818 2.017847 
1 1 1   23   18  -19 o   13.460   2.2479   25.910   7.8400   20.142   10.646   32.746   11.589   11.574   3.2766   14.860   3.0066 -3.286144 4.447011 
1 1 1   23   18  -18 o   10.124   2.6724   15.053   7.3734   17.331   10.589   12.908   10.273   10.820   3.3235   9.6370   3.2983 1.183492 4.682324 
1 1 1   23   18  -17 o   19.422   1.4613   51.768   7.5672   62.237   10.912   42.068   10.503   21.141   1.9434   17.206   2.3330 3.935301 3.036376 
1 1 1   23   18  -16 o   20.742   1.3819   58.866   7.6549   60.226   10.616   57.392   11.049   20.806   1.9213   20.255   2.0596 0.5515900 2.816612 
1 1 1   23   18  -15 o   12.585   2.2481   22.667   7.3202   21.689   9.9241   23.834   10.841   12.065   3.0584   12.610   3.1966 -0.5454931 4.423999 
1 1 1   23   18  -14 o   15.936   1.7463   35.268   7.3518   38.245   10.545   32.452   10.255   16.344   2.4800   14.967   2.6479 1.377391 3.627928 
1 1 1   23   18  -13 o   22.004   1.3946   66.221   8.1996   71.467   11.185   60.127   12.056   22.710   1.8498   20.683   2.2041 2.027390 2.877479 
1 1 1   23   18  -12 o   26.168   1.4188   93.609   9.9351   83.401   18.596   97.686   11.753   24.010   2.9454   26.652   1.6499 -2.642050 3.376034 
1 1 1   23   18  -11 o   28.881   1.1641  113.149   9.0302  109.680   13.658  115.842   12.036   28.181   1.8141   29.073   1.5470 -0.8922596 2.384149 
1 1 1   23   18  -10 o   6.2285   2.6305   1.0831   7.5565   17.338   9.9084 -21.5145   11.683   10.831   3.1904   5.1143   2.5068 5.716689 4.057420 
1 1 1   23   18   -9 o   12.317   2.4860   21.978   7.9408   16.149   10.177   31.048   12.696   10.511   3.2631   14.366   3.3517 -3.854683 4.677774 
1 1 1   23   18   -8 o   4.8029   2.2245  -5.2744   6.8086   0.5118   8.2160 -17.9594   12.165   6.3526   2.7151   5.5411   2.6797 0.8115296 3.814774 
1 1 1   23   18   -7 o   48.931   1.0166  323.969   13.361  332.619   15.149  293.688   28.345   49.533   1.1387   45.827   2.3102 3.705830 2.575618 
1 1 1   23   18   -6 o   31.614   1.2926  135.853   10.976  135.711   12.645  136.288   22.103   31.534   1.4929   30.958   2.6848 0.5769348 3.071966 
1 1 1   23   18   -5 o   20.604   1.2850   57.908   7.0758   64.753   9.7729   50.366   10.258   21.673   1.6923   18.981   2.0444 2.691904 2.653973 
1 1 1   23   18   -4 o   25.462   1.1246   87.860   7.6910   81.020   10.509   95.748   11.286   24.282   1.6207   26.413   1.5984 -2.131237 2.276274 
1 1 1   23   18   -3 o   25.783   1.1220   90.084   7.7697   91.302   10.580   88.659   11.447   25.813   1.5329   25.382   1.6887 0.4314365 2.280696 
1 1 1   23   18   -2 o   11.939   2.2902   20.462   7.0770   14.953   8.9907   29.437   11.475   10.130   3.0523   14.079   3.1167 -3.948514 4.362398 
1 1 1   23   18   -1 o   5.2172   2.3338  -2.4494   6.7126  -0.9531   8.7550  -4.5835   10.456   6.2840   2.7440   6.3331   2.8659 -0.4909086E-01 3.967747 
1 1 1   23   18    0 o   30.246   0.9963  123.730   8.0935  130.206   11.441  117.243   11.451   30.927   1.3773   29.325   1.4538 1.602303 2.002629 
1 1 1   23   18    1 o   58.839   0.8249  467.210   13.036  454.160   18.135  481.160   18.751   57.871   1.1667   59.564   1.1720 -1.692757 1.653775 
1 1 1   23   18    2 o   17.386   1.6614   41.754   7.6642   44.323   12.235   40.095   9.8326   17.550   2.6805   16.851   2.2270 0.6988754 3.484952 
1 1 1   23   18    3 o   12.749   2.1881   23.149   7.2230   22.907   10.788   23.345   9.7248   12.379   3.2155   12.570   2.9339 -0.1906157 4.352870 
1 1 1   23   18    4 o   40.628   0.9272  223.053   10.118  184.071   14.683  258.301   13.962   36.729   1.4883   43.633   1.1913 -6.903809 1.906421 
1 1 1   23   18    5 o   21.223   1.3829   61.575   7.8400   67.421   11.757   56.894   10.521   22.002   2.0118   20.215   1.9623 1.786402 2.810341 
1 1 1   23   18    6 o   18.114   1.4633   45.028   7.0588   38.027   9.5031   53.644   10.543   16.406   2.2131   19.599   2.0323 -3.192440 3.004672 
1 1 1   23   18    7 o   11.368   2.2803   18.594   6.7205   15.164   8.9858   22.948   10.124   10.187   3.0474   12.423   3.0554 -2.235344 4.315339 
1 1 1   23   18    8 o   10.755   2.5762   16.900   7.3441   21.784   8.9759   7.0082   12.774   12.167   2.8042   8.8234   3.5388 3.343752 4.515168 
1 1 1   23   18    9 o   21.627   1.3387   63.877   7.7379   73.851   9.9348   48.495   12.338   23.179   1.6057   18.412   2.5645 4.766895 3.025679 
1 1 1   23   18   10 o   10.980   2.5721   17.613   7.4526   31.878   9.0389 -12.6741   13.170   14.955   2.3258   6.3191   2.9804 8.636098 3.780504 
1 1 1   23   18   11 o   11.018   3.2700   17.994   10.377   21.546   11.124  -5.8100   28.796   11.981   3.3344   10.456   4.7416 1.524963 5.796688 
1 1 1   23   18   12 o   36.272   1.1600  178.469   11.301  188.288   14.478  163.154   18.081   37.153   1.4508   34.309   1.9704 2.843582 2.446908 
1 1 1   23   18   13 o   34.359   1.2039  160.262   11.110  156.687   13.721  167.066   18.932   33.870   1.5083   34.679   2.0415 -0.8089218 2.538202 
1 1 1   23   18   14 o   28.286   1.3132  108.840   9.9765   94.752   13.532  125.614   14.766   26.129   1.9421   30.155   1.8318 -4.025946 2.669705 
1 1 1   23   18   15 o   6.4546   2.6654   2.2531   7.5009   13.585   10.550  -9.3309   10.667   9.8549   3.3426   5.8225   2.7259 4.032375 4.313181 
1 1 1   23   18   16 o   13.132   2.3548   24.771   8.0002   25.848   11.963   23.900   10.760   13.076   3.3812   12.630   3.1753 0.4456291 4.638449 
1 1 1   23   18   17 o   11.522   2.6956   19.514   8.1941   27.618   13.287   14.540   10.409   13.441   3.6058   10.079   3.3184 3.361626 4.900382 
1 1 1   23   18   18 o   18.115   1.8232   45.635   8.7503   47.272   14.087   44.607   11.166   17.930   3.0332   17.685   2.4137 0.2444439 3.876386 
1 1 1   23   18   19 o   5.2696   2.3908  -3.6477   7.3330   0.6926   10.546  -7.7110   10.204   7.1224   3.0609   5.8300   2.7083 1.292424 4.087021 
1 1 1   23   18   20 o   15.199   1.9449   32.464   7.7579   38.600   11.055   26.510   10.890   16.330   2.6081   13.289   3.1067 3.041129 4.056291 
1 1 1   23   18   21 o   11.617   2.6804   19.932   8.1929   10.244   10.744   33.395   12.665   9.0210   3.3408   14.859   3.2628 -5.837511 4.669721 
1 1 1   23   18   22 o   16.859   1.8415   39.758   8.2030   26.572   11.123   55.479   12.145   13.239   3.1701   19.727   2.3377 -6.487661 3.938875 
1 1 1   23   18   23 o   16.153   1.9096   36.703   8.1246   35.994   10.668   37.683   12.537   15.693   2.6237   15.850   3.0556 -0.1571350 4.027491 
1 1 1   23   18   24 o   20.622   1.5994   58.923   8.7898   48.085   12.067   71.176   12.830   18.195   2.5382   22.408   2.1585 -4.212130 3.331857 
1 1 1   23   18   25 o   14.821   2.3088   31.820   8.8918   25.401   12.338   38.757   12.826   12.694   3.5039   15.962   3.1033 -3.267549 4.680608 
1 1 1   23   18   26 o   9.2987   3.1820   12.606   9.5616   24.849   16.671   6.6040   11.672   12.329   4.2017   8.2892   3.3622 4.039517 5.381386 
1 1 1   23   18   27 o   5.3613   2.5574 -11.2921   10.244   7.0963   17.989 -20.1179   12.462   9.4317   4.0239   5.3595   2.6189 4.072213 4.801114 
1 1 1   23   18   28 o   11.965   3.2669   22.861   10.794   14.560   18.174   27.384   13.416   10.403   4.2039   12.863   3.6907 -2.460497 5.594116 
1 1 1   23   18   29 o   9.7141   3.6851   13.776   13.240   19.430   28.086   12.160   15.013   11.606   4.9916   9.5995   3.8413 2.006316 6.298571 
1 1 1   23   18   30 o   10.079   3.9839   15.050   15.959 -11.1200   28.452   27.064   19.278   9.0859   4.3135   12.200   4.4826 -3.114467 6.220945 
1 1 1   23   18   31 o   12.855   4.5717   31.976   19.851   31.730   25.695   32.340   31.264   12.550   5.0242   12.546   5.3275 0.4122734E-02 7.322930 
1 1 1   23   19  -28 o   16.549   3.9752   48.391   17.448   48.391   17.448   0.0000   0.0000   16.549   3.9752  ?   ?  0.000000 3.975206 
1 1 1   23   19  -27 o   16.254   4.3230   48.108   19.201   48.108   19.201   0.0000   0.0000   16.254   4.3230  ?   ?  0.000000 4.322977 
1 1 1   23   19  -26 o   14.381   3.3787   33.619   12.829   35.285   17.094   31.471   19.411   14.082   4.2011   13.097   4.5313 0.9841700 6.179197 
1 1 1   23   19  -25 o   12.426   3.6626   25.578   13.054   22.179   17.342   30.023   19.831   11.573   4.2517   12.956   4.5736 -1.383046 6.244531 
1 1 1   23   19  -24 o   16.000   2.8613   38.905   11.845   39.934   18.524   38.193   15.405   15.127   4.3357   15.212   3.7857 -0.8413219E-01 5.755851 
1 1 1   23   19  -23 o   12.478   3.0962   24.204   10.327   32.642   17.399   19.614   12.832   13.841   4.2616   11.144   3.6853 2.697783 5.634024 
1 1 1   23   19  -22 o   19.864   2.0596   56.084   10.828   73.431   18.845   47.533   13.231   21.886   3.3090   17.828   2.8597 4.057753 4.373497 
1 1 1   23   19  -21 o   9.9228   3.6213   13.785   12.551   0.0000   0.0000   13.785   12.551  ?   ?    9.9228   3.6213 0.000000 3.621289 
1 1 1   23   19  -20 o   18.137   1.8698   46.182   8.9780   35.158   13.129   55.867   12.305   15.111   3.3250   19.720   2.3706 -4.609819 4.083560 
1 1 1   23   19  -19 o   22.571   1.4455   70.077   8.7169   63.563   13.892   74.307   11.195   20.998   2.5132   23.088   1.8200 -2.090105 3.102979 
1 1 1   23   19  -18 o   47.738   0.9421  308.590   12.079  323.743   17.282  294.116   16.890   48.703   1.3211   46.402   1.3552 2.301495 1.892613 
1 1 1   23   19  -17 o   28.644   1.1620  111.524   8.9400  108.383   12.475  114.840   12.818   28.015   1.6655   28.842   1.6616 -0.8268032 2.352610 
1 1 1   23   19  -16 o   17.543   1.6769   42.698   7.8051   42.695   10.701   42.702   11.410   17.276   2.3684   17.198   2.5470 0.7810020E-01 3.478027 
1 1 1   23   19  -15 f   31.949   1.0603  138.395   9.0991  146.925   12.965  130.116   12.773   32.775   1.4728   30.777   1.5502 1.998161 2.138248 
1 1 1   23   19  -14 o   36.698   1.0476  182.515   10.326  175.445   14.080  190.741   15.188   35.826   1.4632   37.332   1.5147 -1.505665 2.106048 
1 1 1   23   19  -13 o   20.472   1.6203   57.831   8.8367   61.635   14.356   55.510   11.212   20.701   2.6424   19.861   2.1353 0.8392258 3.397327 
1 1 1   23   19  -12 o   6.5291   2.6447   3.0606   7.2111  -8.0947   10.001   15.140   10.407   5.7116   2.6626   10.214   3.3160 -4.502716 4.252622 
1 1 1   23   19  -11 o   25.694   1.1928   89.671   8.2314   78.848   11.350  101.681   11.956   23.866   1.7835   27.176   1.6457 -3.309532 2.426760 
1 1 1   23   19  -10 o   12.630   2.6441   23.349   8.6818   33.295   12.422   13.854   12.138   14.910   3.1979   10.071   3.5757 4.838596 4.797122 
1 1 1   23   19   -9 o   13.671   1.9959   26.379   7.1128   23.758   9.7115   29.412   10.447   12.652   2.9174   14.134   2.8502 -1.481769 4.078632 
1 1 1   23   19   -8 o   32.448   1.0080  142.530   8.7846  136.627   11.684  150.206   13.323   31.661   1.3740   33.151   1.4963 -1.490780 2.031444 
1 1 1   23   19   -7 o   20.125   1.3620   55.432   7.3190   49.935   9.7373   62.571   11.097   18.912   1.9447   21.179   1.9735 -2.266706 2.770646 
1 1 1   23   19   -6 o   9.9914   2.6838   14.657   7.3551   21.245   9.5086   4.8430   11.605   11.944   2.9751   8.1366   3.3325 3.807314 4.467342 
1 1 1   23   19   -5 o   19.268   1.4499   50.957   7.4487   58.833   9.9732   41.021   11.202   20.588   1.8223   16.891   2.5482 3.697001 3.132798 
1 1 1   23   19   -4 f   20.923   1.3442   59.866   7.5145   54.638   10.058   66.470   11.305   19.802   1.9151   21.844   1.9472 -2.042620 2.731125 
1 1 1   23   19   -3 o   8.7107   2.7316   10.802   7.1114   1.8936   9.1174   24.641   11.364   6.9011   2.9007   12.774   3.2915 -5.873371 4.387251 
1 1 1   23   19   -2 o   9.3040   2.5391   12.619   6.5220   1.4826   8.8813   25.655   9.6086   6.7482   2.8510   13.202   2.7968 -6.453585 3.993788 
1 1 1   23   19   -1 o   5.6477   2.4100   0.3672   6.4547  -8.8527   8.7940   11.136   9.5039   5.1719   2.4381   9.0851   3.1691 -3.913223 3.998446 
1 1 1   23   19    0 o   20.907   1.3819   59.833   7.7165   53.371   11.167   65.739   10.675   19.470   2.1725   21.764   1.8435 -2.294157 2.849241 
1 1 1   23   19    1 o   27.271   1.1551  100.923   8.4604   85.985   12.447  113.751   11.535   24.896   1.8752   28.814   1.4955 -3.917650 2.398520 
1 1 1   23   19    2 o   9.2925   2.7194   12.554   7.2196   5.6893   10.526   18.652   9.9210   8.0347   3.2160   11.179   3.1624 -3.144040 4.510381 
1 1 1   23   19    3 o   12.272   2.3094   21.680   7.3326   16.979   10.464   26.215   10.278   10.720   3.3057   13.291   2.9555 -2.571164 4.434275 
1 1 1   23   19    4 f   5.4868   2.3870  -0.6338   6.5712  -5.7169   8.9624   5.2755   9.6633   5.6252   2.5863   7.7343   3.0863 -2.109073 4.026694 
1 1 1   23   19    5 o   35.958   0.9931  174.990   9.5915  164.411   13.824  184.811   13.319   34.689   1.4837   36.834   1.3463 -2.144817 2.003427 
1 1 1   23   19    6 o   22.786   1.3326   70.935   8.1200   73.280   11.632   68.705   11.341   22.961   1.9032   22.222   1.9188 0.7390385 2.702615 
1 1 1   23   19    7 o   24.491   1.1942   81.460   7.8557   82.911   10.584   79.681   11.722   24.546   1.6144   23.977   1.8341 0.5685272 2.443421 
1 1 1   23   19    8 o   6.5451   2.6361   3.2328   7.1203  -1.5956   8.8560   12.060   11.975   6.1948   2.7308   9.6543   3.5351 -3.459464 4.466977 
1 1 1   23   19    9 o   5.4849   2.4656  -2.9791   7.5901  -0.8725   9.0368  -8.0247   13.985   6.3782   2.7864   7.0106   3.2260 -0.6323495 4.262783 
1 1 1   23   19   10 o   7.7406   2.7057   7.8100   6.9293   6.0335   9.2025   10.136   10.530   7.7818   3.0405   8.9929   3.3117 -1.211105 4.495758 
1 1 1   23   19   11 o   13.764   2.0490   26.806   7.3438   24.757   9.4084   30.002   11.748   12.961   2.7855   14.144   3.1709 -1.182824 4.220562 
1 1 1   23   19   12 o   7.7270   2.7486   7.6189   7.1755   17.815   9.5909  -5.3439   10.814   10.931   3.1153   6.3303   2.8841 4.600822 4.245409 
1 1 1   23   19   13 o   6.5775   2.7664   1.6284   8.3009   4.0397   10.850  -1.7754   12.891   7.7857   3.2094   7.4325   3.2846 0.3531847 4.592242 
1 1 1   23   19   14 o   33.191   1.1205  149.491   9.9887  143.050   13.655  156.904   14.649   32.305   1.5738   33.817   1.6128 -1.511059 2.253431 
1 1 1   23   19   15 f   20.136   1.6378   56.034   8.7810   60.025   12.792   52.478   12.076   20.545   2.3610   19.178   2.3966 1.366230 3.364246 
1 1 1   23   19   16 o   20.577   1.6329   58.522   8.9505   65.331   11.909   49.682   13.569   21.563   2.0820   18.432   2.8315 3.131254 3.514577 
1 1 1   23   19   17 o   16.476   2.0480   38.335   8.8671   50.195   14.222   30.793   11.342   18.435   2.9733   14.331   3.0407 4.104332 4.252788 
1 1 1   23   19   18 o   41.045   0.9881  228.309   10.894  225.777   15.499  230.780   15.314   40.621   1.4205   41.086   1.3877 -0.4650192 1.985895 
1 1 1   23   19   19 o   7.7741   2.8305   7.6184   7.6614   7.5072   10.516   7.7440   11.184   8.3277   3.2513   8.5115   3.3443 -0.1838140 4.664225 
1 1 1   23   19   20 o   17.519   1.7487   42.887   8.1185   55.779   11.431   29.764   11.533   19.799   2.1859   13.963   3.1501 5.836775 3.834241 
1 1 1   23   19   21 o   24.734   1.3635   84.048   9.0232   92.285   13.563   77.507   12.086   25.605   1.9877   23.483   1.9334 2.121511 2.772882 
1 1 1   23   19   22 o   14.375   2.3844   30.193   8.8833   47.673   14.106   18.704   11.436   17.719   3.0753   10.972   3.4672 6.747273 4.634556 
1 1 1   23   19   23 o   23.516   2.0337   78.561   12.719   38.140   34.355   84.981   13.692   14.254   5.7729   24.415   2.1087 -10.16114 6.145974 
1 1 1   23   19   24 o   7.0427   2.9717   2.7410   9.6295  -9.1428   15.136   10.821   12.481   6.9988   3.2669   9.1557   3.5510 -2.156950 4.825228 
1 1 1   23   19   25 o   20.004   2.0367   57.401   10.790   69.140   18.399   51.248   13.322   20.889   3.3960   18.404   2.7817 2.484341 4.389830 
1 1 1   23   19   26 o   11.883   3.3635   23.053   11.219   21.304   17.208   24.347   14.797   11.305   4.2197   11.930   3.9579 -0.6250000 5.785439 
1 1 1   23   19   27 o   6.1075   2.9612 -18.6859   15.096   3.1190   27.477 -28.1138   18.068   9.9224   4.5496   6.2499   3.0742 3.672465 5.490867 
1 1 1   23   19   28 o   11.868   4.5564   26.268   20.393   27.380   28.040   25.020   29.713   12.012   5.0700   11.801   5.1047 0.2114973 7.194628 
1 1 1   23   19   29 o   6.4057   3.1579 -29.0039   19.425 -26.2100   25.801 -32.6600   29.515   7.6771   3.7549   7.9265   3.9047 -0.2493834 5.417225 
1 1 1   23   19   30 f   8.2463   4.0304 -22.9400   29.560   0.0000   0.0000 -22.9400   29.560  ?   ?    8.2463   4.0304 0.000000 4.030378 
1 1 1   23   20  -27 o   16.754   4.9662   60.840   23.945   60.840   23.945   0.0000   0.0000   16.754   4.9662  ?   ?  0.000000 4.966194 
1 1 1   23   20  -26 o   6.4287   3.1182 -18.3592   16.781 -18.3592   16.781   0.0000   0.0000   6.4287   3.1182  ?   ?  0.000000 3.118154 
1 1 1   23   20  -25 o   24.557   3.1061   96.123   20.029   96.123   20.029   0.0000   0.0000   24.557   3.1061  ?   ?  0.000000 3.106122 
1 1 1   23   20  -24 o   11.456   3.5779   22.258   12.215   22.925   17.802   21.665   16.790   11.400   4.2848   11.178   4.1691 0.2220449 5.978308 
1 1 1   23   20  -23 o   6.2514   2.9117  -6.9932   11.918 -11.3248   15.722  -1.1402   18.275   6.8343   3.2334   8.3044   3.7703 -1.470077 4.966885 
1 1 1   23   20  -22 o   11.435   3.6947   21.732   12.931   33.965   17.185   5.7647   19.633   13.810   4.2325   9.3276   4.0901 4.482221 5.885866 
1 1 1   23   20  -21 o   7.6772   3.2852   3.1543   12.055  -8.4884   15.831   19.226   18.600   7.1893   3.3509   11.120   4.3288 -3.930730 5.474228 
1 1 1   23   20  -20 o   10.304   3.9709   15.214   15.529   10.060   29.620   17.168   18.237   11.091   4.9361   10.855   4.2687 0.2361555 6.525860 
1 1 1   23   20  -19 o   40.081   1.4466  221.466   15.573  270.800   33.832  208.203   17.542   42.503   2.9825   38.682   1.6884 3.821087 3.427249 
1 1 1   23   20  -18 o   19.201   1.8622   51.978   9.4828   34.536   13.603   68.466   13.226   14.754   3.4878   21.807   2.2924 -7.053332 4.173680 
1 1 1   23   20  -17 o   6.1354   2.6361   0.5822   7.8192  -1.4820   12.163   2.0362   10.208   7.1460   3.1726   7.1402   3.0384 0.5824566E-02 4.392842 
1 1 1   23   20  -16 o   21.492   1.7097   64.360   9.7880   70.223   14.061   58.847   13.633   22.077   2.4105   20.089   2.5868 1.987568 3.535826 
1 1 1   23   20  -15 o   29.097   1.6957  117.458   13.194  148.300   33.808  111.916   14.331   30.351   4.2649   28.286   1.8973 2.064531 4.667884 
1 1 1   23   20  -14 o   21.678   1.5281   64.888   8.8404   74.571   13.531   57.676   11.677   22.908   2.2274   20.140   2.1941 2.767481 3.126510 
1 1 1   23   20  -13 o   11.156   2.6464   18.500   7.8101   23.925   11.209   13.380   10.888   12.474   3.2960   9.7207   3.3920 2.752962 4.729652 
1 1 1   23   20  -12 o   5.9534   2.5040   1.2884   6.8017   3.6296   8.7598  -2.2662   10.794   7.0918   2.8989   6.6965   2.9801 0.3952694 4.157458 
1 1 1   23   20  -11 o   10.219   2.6985   15.507   7.5166   3.7979   10.451   28.056   10.819   7.5941   3.1419   13.653   3.0294 -6.059251 4.364478 
1 1 1   23   20  -10 o   17.987   1.5427   44.697   7.3807   53.144   10.111   35.062   10.799   19.466   1.9606   15.470   2.6970 3.996040 3.334312 
1 1 1   23   20   -9 o   14.208   2.0295   28.608   7.5245   29.441   10.626   27.771   10.656   14.063   2.9092   13.613   2.9958 0.4501715 4.175899 
1 1 1   23   20   -8 o   18.900   1.5291   49.268   7.6959   52.654   10.708   45.651   11.068   19.327   2.0964   17.867   2.3644 1.459951 3.159936 
1 1 1   23   20   -7 o   12.503   2.1654   22.403   7.0083   28.461   9.4399   14.965   10.461   13.953   2.6150   10.136   3.3262 3.817179 4.231031 
1 1 1   23   20   -6 o   27.376   1.1230  101.758   8.2573  104.429   11.022   98.343   12.465   27.580   1.4935   26.654   1.7510 0.9265747 2.301411 
1 1 1   23   20   -5 o   25.323   1.3194   87.645   8.9432   83.962   10.798   95.691   15.960   24.668   1.6391   26.011   2.3084 -1.343184 2.831122 
1 1 1   23   20   -4 o   9.8924   2.7199   14.437   7.4513   17.419   9.3647   9.2920   12.302   10.793   3.0792   9.0908   3.5255 1.701964 4.680931 
1 1 1   23   20   -3 o   20.898   1.3439   59.796   7.5036   66.738   10.448   52.400   10.783   21.926   1.7897   19.283   2.1169 2.642408 2.772057 
1 1 1   23   20   -2 o   9.3124   2.7175   12.681   7.2188   17.048   10.482   8.7406   9.9561   10.701   3.3099   8.5403   3.2054 2.160942 4.607585 
1 1 1   23   20   -1 o   11.802   2.2767   20.116   6.9556   25.155   9.6439   14.653   10.041   13.024   2.8371   10.037   3.2571 2.987402 4.319458 
1 1 1   23   20    0 o   11.541   2.4541   19.440   7.3733   2.5979   10.786   34.216   10.103   7.4971   3.1533   15.376   2.5346 -7.878453 4.045677 
1 1 1   23   20    1 o   22.530   1.2693   69.320   7.6499   63.958   10.520   75.338   11.144   21.441   1.8447   23.303   1.7943 -1.862101 2.573427 
1 1 1   23   20    2 o   8.2374   2.7134   9.4435   6.9593   6.9419   9.5800   12.239   10.127   8.0523   3.1144   9.4156   3.2720 -1.363331 4.517284 
1 1 1   23   20    3 o   33.136   0.9910  148.701   8.8202  148.111   12.218  149.342   12.746   32.941   1.3809   33.056   1.4356 -0.1150436 1.991985 
1 1 1   23   20    4 o   16.453   1.7962   37.767   7.8087   51.857   11.703   26.459   10.484   19.087   2.3312   13.296   3.0062 5.790825 3.804116 
1 1 1   23   20    5 o   18.631   1.4773   47.777   7.3319   37.876   9.8430   60.118   10.989   16.280   2.3163   20.715   1.9999 -4.435387 3.060249 
1 1 1   23   20    6 o   24.999   1.3064   85.397   8.7415   93.593   12.596   77.783   12.141   25.969   1.8173   23.614   1.9312 2.355448 2.651760 
1 1 1   23   20    7 o   7.8313   2.9205   7.2776   8.2390   12.681   10.571  -1.0835   13.150   9.5666   3.3420   7.5712   3.3330 1.995403 4.719958 
1 1 1   23   20    8 o   27.400   1.1245  101.955   8.2755   99.566   11.125  104.916   12.382   26.903   1.5461   27.559   1.6808 -0.6566811 2.283783 
1 1 1   23   20    9 o   23.561   1.3026   75.907   8.2109   81.006   10.622   68.339   12.942   24.216   1.6429   21.978   2.2230 2.238110 2.764216 
1 1 1   23   20   10 o   23.371   1.2976   74.697   8.1133   75.672   11.230   73.632   11.735   23.329   1.8063   22.959   1.9206 0.3692684 2.636545 
1 1 1   23   20   11 o   34.496   1.0923  161.588   10.121  165.383   14.104  157.560   14.531   34.725   1.5122   33.852   1.5981 0.8724556 2.200176 
1 1 1   23   20   12 o   36.834   1.0005  183.941   9.8979  189.601   13.159  176.566   15.020   37.269   1.3146   35.847   1.5601 1.422184 2.040072 
1 1 1   23   20   13 o   21.003   1.3879   60.604   7.7855   65.436   10.393   54.427   11.752   21.665   1.8024   19.529   2.2837 2.136625 2.909322 
1 1 1   23   20   14 o   9.1957   2.9815   12.285   8.4150   8.9810   11.054   16.838   12.977   8.7274   3.3537   10.680   3.7044 -1.952997 4.996992 
1 1 1   23   20   15 o   26.479   1.3115   95.843   9.3274  107.640   13.946   86.295   12.547   27.747   1.8824   24.824   1.8961 2.922480 2.671813 
1 1 1   23   20   16 o   29.961   1.3974  123.101   11.245  134.039   20.574  118.441   13.428   30.464   2.5375   29.187   1.7206 1.276936 3.065820 
1 1 1   23   20   17 o   13.607   2.9337   28.116   10.406   17.733   17.735   33.569   12.851   11.114   4.2533   14.675   3.3361 -3.560229 5.405573 
1 1 1   23   20   18 o   9.8076   3.0784   14.560   9.0297   19.437   13.009   10.026   12.543   11.137   3.7119   9.0878   3.5501 2.049067 5.136248 
1 1 1   23   20   19 o   13.087   2.4374   25.354   8.2522   26.891   12.596   24.198   10.923   12.925   3.5292   12.394   3.2435 0.5316877 4.793278 
1 1 1   23   20   20 o   7.1041   3.0243   2.3694   10.121  -8.4230   17.172   8.1144   12.529   7.5449   3.5077   8.6475   3.4919 -1.102668 4.949462 
1 1 1   23   20   21 o   6.4284   2.9127  -3.2895   10.841 -19.3700   32.275  -1.2448   11.509   9.3224   4.4717   6.8938   3.0719 2.428625 5.425142 
1 1 1   23   20   22 o   7.1189   3.1957  -1.6516   12.703  111.700   32.034 -22.8029   13.838   24.347   5.0636   5.5333   2.7154 18.81407 5.745679 
1 1 1   23   20   23 o   7.0241   3.2564  -6.4055   14.640 -47.5400   29.679   6.8221   16.830   7.5631   3.7593   8.9721   3.8615 -1.409051 5.389205 
1 1 1   23   20   24 o   9.5996   3.9604   12.166   16.539   10.280   27.713   13.209   20.612   10.435   4.6991   10.124   4.3130 0.3112192 6.378384 
1 1 1   23   20   25 o   9.5733   3.8020   13.635   14.600  -1.9120   26.487   20.421   17.499   9.2454   4.3177   10.858   4.2065 -1.612225 6.028019 
1 1 1   23   20   26 o   8.9457   3.9771   6.0689   19.177 -31.6900   26.629   46.750   27.640   7.5185   3.7047   14.046   5.3254 -6.527161 6.487292 
1 1 1   23   20   27 o   10.020   4.2105   16.032   19.203   2.3740   26.440   31.280   27.937   9.2954   4.3319   11.903   5.0443 -2.608129 6.649087 
1 1 1   23   20   28 o   7.2842   3.6043 -31.7000   26.131   0.0000   0.0000 -31.7000   26.131  ?   ?    7.2842   3.6043 0.000000 3.604252 
1 1 1   23   21  -26 o   9.6049   4.4240   12.010   26.385   0.0000   0.0000   12.010   26.385  ?   ?    9.6049   4.4240 0.000000 4.423961 
1 1 1   23   21  -25 o   8.9327   4.1243   4.6690   23.132   4.6690   23.132   0.0000   0.0000   8.9327   4.1243  ?   ?  0.000000 4.124288 
1 1 1   23   21  -24 o   9.3944   3.9616   13.047   17.096   13.047   17.096   0.0000   0.0000   9.3944   3.9616  ?   ?  0.000000 3.961581 
1 1 1   23   21  -23 o   20.657   2.8786   67.891   15.537   72.424   18.467   56.910   28.745   20.690   3.4443   15.043   5.4818 5.647369 6.474000 
1 1 1   23   21  -22 o   8.1480   3.3594   7.6720   11.890  -4.7841   16.421   21.401   17.239   7.4105   3.4402   10.894   4.1876 -3.483161 5.419515 
1 1 1   23   21  -21 o   14.156   3.8861   35.838   15.225   32.750   24.762   37.715   19.306   12.561   4.9631   13.844   4.5174 -1.283847 6.711082 
1 1 1   23   21  -20 o   10.478   3.9709   18.129   15.364   14.893   17.763   27.740   30.611   10.081   4.1252   12.100   5.2077 -2.019102 6.643594 
1 1 1   23   21  -19 o   7.4659   3.3025   0.8357   13.064 -16.5833   17.961   20.401   19.035   6.9235   3.3249   11.068   4.3584 -4.144533 5.481839 
1 1 1   23   21  -18 o   20.452   4.8925   79.260   26.515   0.0000   0.0000   79.260   26.515  ?   ?    20.452   4.8925 0.000000 4.892468 
1 1 1   23   21  -17 o   12.226   3.7821   25.232   13.686   24.516   18.902   26.021   19.843   11.916   4.4275   12.169   4.5335 -0.2531624 6.336821 
1 1 1   23   21  -16 f   9.2649   3.3000   12.675   10.347   5.5035   12.974   25.208   17.150   8.2386   3.4614   12.133   4.2558 -3.894032 5.485663 
1 1 1   23   21  -15 o   8.3563   3.1524   9.0954   9.6545   2.2352   12.097   21.130   16.022   7.5698   3.2658   11.408   4.1020 -3.838703 5.243280 
1 1 1   23   21  -14 o   20.836   1.6246   60.642   9.0199   78.749   13.878   47.397   11.869   23.375   2.2378   17.915   2.5376 5.460176 3.383351 
1 1 1   23   21  -13 o   9.9120   2.8816   14.984   8.1302   6.4497   11.994   22.241   11.059   8.2942   3.3914   11.856   3.3336 -3.562048 4.755470 
1 1 1   23   21  -12 o   7.3280   2.7590   6.4362   7.3874   8.0933   10.012   4.4563   10.944   8.2561   3.1866   7.7291   3.2079 0.5269904 4.521596 
1 1 1   23   21  -11 o   9.4455   2.7696   13.394   7.4820   17.207   10.236   9.0201   10.964   10.571   3.2710   8.6413   3.3348 1.929700 4.671172 
1 1 1   23   21  -10 o   8.6813   2.7963   10.979   7.4116   6.5412   10.177   15.990   10.815   7.9864   3.1735   10.278   3.3824 -2.291689 4.638079 
1 1 1   23   21   -9 o   18.255   1.6173   46.380   7.8480   56.070   11.016   36.391   11.184   19.860   2.0968   15.633   2.7646 4.226527 3.469778 
1 1 1   23   21   -8 o   4.9845   2.3259  -6.2786   7.6618  -1.4542   11.068 -10.7180   10.617   6.8537   3.0354   5.5859   2.6470 1.267766 4.027421 
1 1 1   23   21   -7 o   8.6503   2.8409   10.747   7.6308   5.3208   10.223   17.573   11.467   7.7769   3.1494   10.741   3.4801 -2.963698 4.693574 
1 1 1   23   21   -6 o   27.654   1.2581  104.410   9.3445  120.163   14.158   92.251   12.438   29.364   1.8039   25.711   1.8128 3.653135 2.557364 
1 1 1   23   21   -5 o   37.186   1.0850  187.973   10.836  175.948   17.118  196.013   13.998   35.562   1.7980   37.833   1.3776 -2.270618 2.265093 
1 1 1   23   21   -4 o   18.589   1.9052   48.582   9.3781   60.146   13.331   37.253   13.195   20.404   2.4838   15.601   3.2544 4.803045 4.093962 
1 1 1   23   21   -3 o   25.880   1.3757   91.931   9.5285   86.666   12.518   99.186   14.693   24.891   1.8864   26.526   2.0789 -1.635109 2.807165 
1 1 1   23   21   -2 o   21.691   1.4565   64.821   8.4366   73.931   12.016   55.966   11.848   22.940   1.9693   19.794   2.2696 3.146616 3.004827 
1 1 1   23   21   -1 o   45.560   0.8912  281.007   10.906  290.090   15.160  271.265   15.701   46.128   1.2236   44.556   1.3120 1.571640 1.794073 
1 1 1   23   21    0 o   13.343   2.1520   25.565   7.4497   26.584   10.194   24.397   10.913   13.281   2.9360   12.603   3.2140 0.6780205 4.353125 
1 1 1   23   21    1 o   26.179   1.1682   93.315   8.2146   93.662   11.290   92.926   11.975   26.017   1.6238   25.861   1.7340 0.1559944 2.375584 
1 1 1   23   21    2 o   28.083   1.1319  107.294   8.5380  118.414   11.949   95.696   12.204   29.313   1.5229   26.240   1.7415 3.073450 2.313438 
1 1 1   23   21    3 o   16.345   1.7715   37.416   7.6526   47.841   10.695   26.479   10.955   18.305   2.2207   13.159   3.1427 5.146316 3.848116 
1 1 1   23   21    4 o   6.2126   2.6428   1.0389   7.7180   18.043   11.236 -14.1490   10.619   10.879   3.4367   5.2749   2.5392 5.603993 4.272946 
1 1 1   23   21    5 o   14.459   2.3017   30.221   8.6393   39.112   11.163   16.944   13.642   16.324   2.6359   10.725   3.7925 5.599047 4.618587 
1 1 1   23   21    6 o   19.344   1.5869   51.897   8.1720   48.073   11.586   55.685   11.528   18.234   2.4258   19.757   2.2103 -1.523106 3.281734 
1 1 1   23   21    7 o   6.9957   2.8190   4.1405   8.1475   24.493   12.574 -10.5889   10.697   12.468   3.5717   5.6300   2.6647 6.838397 4.456169 
1 1 1   23   21    8 o   26.280   1.4488   95.137   10.187  112.782   17.598   86.243   12.494   28.063   2.3565   24.801   1.8898 3.262527 3.020709 
1 1 1   23   21    9 o   18.581   1.8315   48.502   9.0218   49.661   13.213   47.490   12.348   18.311   2.7734   17.979   2.6353 0.3318005 3.825790 
1 1 1   23   21   10 o   30.106   1.1955  123.702   9.6667  122.360   13.227  125.240   14.162   29.677   1.6661   29.963   1.7676 -0.2858505 2.429082 
1 1 1   23   21   11 o   17.356   1.7329   42.244   7.9702   41.849   10.895   42.699   11.689   16.920   2.4703   16.996   2.6469 -0.7581902E-01 3.620545 
1 1 1   23   21   12 o   19.158   1.6749   51.305   8.5314   53.743   11.645   48.479   12.535   19.292   2.2922   18.100   2.6575 1.191515 3.509428 
1 1 1   23   21   13 o   16.343   1.8890   37.897   8.1392   35.429   11.312   40.547   11.720   15.294   2.8589   16.452   2.7494 -1.157810 3.966379 
1 1 1   23   21   14 o   13.131   2.3045   25.336   7.8312   15.421   10.675   36.890   11.524   10.033   3.3626   15.584   2.8583 -5.551212 4.413262 
1 1 1   23   21   15 o   14.889   2.2155   32.308   8.5896   43.404   12.859   23.367   11.543   16.834   2.9515   12.043   3.4126 4.791173 4.511868 
1 1 1   23   21   16 f   16.399   2.9069   41.270   12.335   33.540   17.583   48.760   17.308   13.779   4.2910   17.079   3.8635 -3.300251 5.774020 
1 1 1   23   21   17 o   7.1512   3.1351   0.7282   11.528   21.967   16.124 -21.4820   16.489   11.442   4.1149   6.3159   3.0697 5.126306 5.133758 
1 1 1   23   21   18 o   7.2492   3.2785  -2.2866   13.660 -46.7200   30.406   8.9497   15.290   7.7250   3.8338   9.0707   3.7804 -1.345723 5.384229 
1 1 1   23   21   19 o   14.928   4.2755   40.746   18.020   0.0000   0.0000   40.746   18.020  ?   ?    14.928   4.2755 0.000000 4.275518 
1 1 1   23   21   20 o   5.3385   2.6529 -29.5322   14.744 -43.9200   27.510 -23.7340   17.464   7.2768   3.6174   6.3214   3.0913 0.9553585 4.758327 
1 1 1   23   21   21 o   25.428   2.6705   99.063   17.967   80.550   30.102  109.308   22.393   18.936   5.5560   25.938   3.2880 -7.002144 6.456059 
1 1 1   23   21   22 o   6.2744   3.0186 -14.5143   14.959   0.0000   0.0000 -14.5143   14.959  ?   ?    6.2744   3.0186 0.000000 3.018610 
1 1 1   23   21   23 o   15.920   3.1731   41.979   13.092   64.010   28.130   35.887   14.792   16.231   5.4584   14.034   3.8212 2.197243 6.663008 
1 1 1   23   21   24 o   13.212   4.5462   37.098   19.526   73.800   27.371  -0.9384   27.864   17.731   5.3219   9.0988   4.3047 8.632329 6.844961 
1 1 1   23   21   25 o   6.0118   2.9751 -27.3754   17.830 -26.0300   23.004 -29.4000   28.218   7.0107   3.4524   7.5994   3.7575 -0.5886078 5.102741 
1 1 1   23   21   26 o   9.6174   4.2671   14.630   21.969   14.630   21.969   0.0000   0.0000   9.6174   4.2671  ?   ?  0.000000 4.267098 
1 1 1   23   22  -23 o   8.0222   3.5837   5.6403   15.769   15.780   19.903 -11.4600   25.846   9.4999   4.1431   7.9274   3.8507 1.572546 5.656264 
1 1 1   23   22  -22 o   12.247   4.8147   37.040   23.193   37.040   23.193   0.0000   0.0000   12.247   4.8147  ?   ?  0.000000 4.814665 
1 1 1   23   22  -21 o   17.993   2.6899   51.644   12.601   72.495   18.446   33.401   17.254   20.324   3.5058   12.649   4.2747 7.674307 5.528477 
1 1 1   23   22  -20 o   6.8313   3.0830  -0.3819   12.005   22.638   16.690 -25.0643   17.282   10.819   4.1295   6.0374   2.9768 4.781354 5.090560 
1 1 1   23   22  -19 o   9.2971   3.5116   14.148   11.990   12.060   16.581   16.437   17.358   9.2488   3.9009   9.9250   4.0716 -0.6762304 5.638678 
1 1 1   23   22  -18 o   10.894   3.6097   20.984   12.309   7.9655   17.200   34.651   17.624   8.8472   3.8552   13.227   4.3161 -4.380134 5.787143 
1 1 1   23   22  -17 o   16.565   3.6098   47.348   15.607   17.280   27.709   61.320   18.888   10.717   4.7716   18.568   3.9109 -7.850891 6.169544 
1 1 1   23   22  -16 o   12.027   3.9288   26.200   14.601  -8.8040   22.307   52.438   19.313   8.1549   3.8561   16.763   4.2759 -8.608031 5.757876 
1 1 1   23   22  -15 o   16.380   3.1531   43.342   13.369   53.650   18.304   31.556   19.573   17.390   4.0019   12.736   4.5385 4.653831 6.050913 
1 1 1   23   22  -14 o   13.313   3.3928   29.554   12.168   52.154   17.159   6.6970   17.256   17.463   3.7690   8.9301   3.8765 8.532446 5.406701 
1 1 1   23   22  -13 o   26.216   1.9820   98.849   13.853  103.773   14.825   64.960   38.893   26.777   2.0776   15.704   6.2152 11.07329 6.553278 
1 1 1   23   22  -12 o   15.095   2.2796   33.717   8.9542   32.756   11.006   35.599   15.400   14.456   2.9347   14.318   3.8992 0.1375103 4.880205 
1 1 1   23   22  -11 o   13.645   2.5075   28.093   8.8515   40.890   11.001   4.5914   14.908   16.481   2.5689   8.3950   3.6236 8.085606 4.441810 
1 1 1   23   22  -10 o   10.374   3.0739   17.022   9.1751   19.688   11.047   11.096   16.472   11.015   3.3965   9.5936   3.9546 1.421010 5.212956 
1 1 1   23   22   -9 o   20.008   1.7428   56.541   9.2726   59.582   11.802   51.635   14.989   20.254   2.2051   18.128   3.1952 2.125984 3.882260 
1 1 1   23   22   -8 o   19.827   1.8361   55.753   9.6670   51.227   11.783   65.072   16.908   18.652   2.4082   20.431   3.1849 -1.778944 3.992889 
1 1 1   23   22   -7 o   16.216   2.2825   38.459   9.6659   41.158   16.157   36.955   12.062   15.675   3.8626   15.443   3.0163 0.2321424 4.900831 
1 1 1   23   22   -6 o   5.9483   2.6078  -0.4511   7.9770  -5.5627   12.144   3.4281   10.579   6.5476   3.0105   7.3942   3.1171 -0.8465753 4.333522 
1 1 1   23   22   -5 o   14.419   2.1914   30.266   8.2200   47.203   12.427   17.091   10.960   17.757   2.6899   10.440   3.4036 7.316763 4.338181 
1 1 1   23   22   -4 o   7.3230   2.8712   5.8099   8.2281   6.3482   13.118   5.4607   10.565   8.4551   3.5109   7.7778   3.1819 0.6772389 4.738231 
1 1 1   23   22   -3 o   46.007   0.9624  287.735   11.893  309.633   17.869  270.323   15.934   47.404   1.4035   44.344   1.3378 3.059731 1.938930 
1 1 1   23   22   -2 o   18.826   1.7318   49.829   8.6583   55.760   11.403   41.756   13.304   19.666   2.1964   16.422   3.1306 3.243263 3.824244 
1 1 1   23   22   -1 o   9.0893   2.8790   12.396   7.8816  -6.4225   11.161   31.113   11.131   6.1765   2.8563   14.196   3.0126 -8.019907 4.151388 
1 1 1   23   22    0 o   16.814   1.8541   40.074   8.2338   54.647   11.993   27.078   11.325   19.375   2.3528   13.100   3.2372 6.274487 4.001945 
1 1 1   23   22    1 o   10.192   2.7464   15.856   7.6879   23.463   10.944   8.4424   10.803   12.168   3.2758   8.4308   3.2942 3.736976 4.645761 
1 1 1   23   22    2 o   22.006   1.4656   67.135   8.6133   79.333   12.220   55.090   12.143   23.661   1.9399   19.436   2.3755 4.224531 3.066936 
1 1 1   23   22    3 o   16.800   1.9129   40.163   8.4774   36.634   11.268   44.767   12.869   15.559   2.7992   17.172   2.8931 -1.613087 4.025563 
1 1 1   23   22    4 o   6.0336   2.5872   0.8372   7.5041 -10.4577   10.706   11.746   10.521   5.5894   2.6514   9.1081   3.3169 -3.518664 4.246324 
1 1 1   23   22    5 o   17.516   1.8678   43.563   8.6520   43.433   13.463   43.654   11.293   16.742   3.1083   17.169   2.5243 -0.4265881 4.004176 
1 1 1   23   22    6 o   14.301   2.1776   29.779   8.1002   30.365   12.302   29.330   10.762   13.768   3.3571   13.742   2.9999 0.2565861E-01 4.502157 
1 1 1   23   22    7 o   5.7839   2.5954  -2.2343   8.3703  -2.7371   11.945  -1.7494   11.732   6.8238   3.0778   6.8944   3.0847 -0.7060575E-01 4.357524 
1 1 1   23   22    8 o   11.986   3.0055   22.555   9.6581   18.563   16.550   24.617   11.893   10.888   4.1226   12.290   3.4576 -1.401282 5.380577 
1 1 1   23   22    9 o   5.9307   2.6198  -0.8608   8.1930   3.6586   10.181  -9.1640   13.800   7.3018   3.0670   6.5968   3.0923 0.7050309 4.355296 
1 1 1   23   22   10 o   22.557   1.6370   71.443   9.8502   69.827   11.859   75.038   17.688   22.049   2.0252   21.983   3.0802 0.6578255E-01 3.686326 
1 1 1   23   22   11 o   12.589   2.7567   24.523   9.0630   21.328   11.446   29.892   14.838   11.388   3.4469   13.142   3.9125 -1.754494 5.214267 
1 1 1   23   22   12 o   28.698   1.4155  114.209   10.911  124.474   13.342   93.481   18.958   29.731   1.6776   24.627   2.9232 5.103546 3.370402 
1 1 1   23   22   13 o   6.3738   2.7518   1.2027   8.6018   9.1208   10.657 -13.5997   14.571   8.3789   3.2725   6.3427   3.0323 2.036195 4.461375 
1 1 1   23   22   14 o   21.417   2.3995   68.379   13.566   65.666   14.585   85.780   36.936   20.738   2.6813   18.325   6.2542 2.413239 6.804702 
1 1 1   23   22   15 o   11.277   3.5065   21.633   11.747   22.409   16.690   20.871   16.535   11.225   4.1626   10.947   4.1265 0.2779512 5.861314 
1 1 1   23   22   16 o   10.967   4.0087   21.316   15.388  -4.2630   26.218   34.760   19.007   9.0027   4.2335   13.278   4.4866 -4.275331 6.168641 
1 1 1   23   22   17 o   8.0492   3.6936  -1.2708   18.158   0.0000   0.0000  -1.2708   18.158  ?   ?    8.0492   3.6936 0.000000 3.693569 
1 1 1   23   22   18 o   15.984   3.6409   44.791   15.282   67.650   27.917   35.010   18.261   16.900   5.4253   13.199   4.3977 3.701208 6.983830 
1 1 1   23   22   19 o   6.8486   3.1101  -1.3575   12.446   5.6960   24.788  -3.7350   14.391   9.3251   4.2925   7.0110   3.2427 2.314119 5.379630 
1 1 1   23   22   20 o   7.9104   3.3861   6.2753   12.814   9.4060   24.556   5.1037   15.022   9.5040   4.3363   8.0750   3.5582 1.429020 5.609293 
1 1 1   23   22   21 o   26.822   2.0135  106.570   14.400   75.530   27.231  118.618   16.966   17.610   5.3134   27.943   2.2804 -10.33293 5.782105 
1 1 1   23   22   22 o   7.4640   3.3488   2.5373   13.929  -1.2360   22.287   4.9561   17.843   8.2543   3.8882   8.2764   3.7447 -0.2204704E-01 5.398216 
1 1 1   23   22   23 o   7.9465   3.6038   3.9992   16.637  -6.5320   20.782   22.790   27.761   7.6096   3.6333   10.305   4.6660 -2.695520 5.913731 
1 1 1   23   23    0 o   9.9619   3.7282   12.826   13.450   25.713   16.505 -12.6500   23.206   12.823   4.1765   8.7591   4.0740 4.064330 5.834450 
1 1 1   23   23    1 o   8.9329   3.1660   12.196   9.5120   11.921   11.322   12.857   17.538   9.0110   3.4103   9.7698   4.0583 -0.7588177 5.300970 
1 1 1   23   23    2 o   9.5535   3.0564   14.546   8.8658   30.976   11.237 -12.5446   14.429   13.852   3.0979   6.3635   3.0354 7.488792 4.337068 
1 1 1   23   23    3 o   6.8512   2.8517   3.7422   8.6843   9.2819   11.166  -4.7372   13.815   8.4364   3.3330   6.9334   3.1963 1.502982 4.617950 
1 1 1   23   23    4 o   6.6022   2.8397   1.8865   9.0904   5.5204   12.268  -2.5380   13.537   7.9314   3.3509   7.1037   3.2328 0.8276343 4.656077 
1 1 1   23   23    5 o   8.9113   3.1818   12.190   9.6245   11.316   13.209   13.180   14.052   9.0471   3.6090   9.4624   3.7388 -0.4153481 5.196478 
1 1 1   23   23    6 o   9.3239   3.1770   13.849   9.5308   23.369   13.163   3.3578   13.818   11.553   3.7271   7.8760   3.4431 3.677316 5.074070 
1 1 1   23   23    7 f   14.307   2.4462   31.165   9.0623   36.076   11.593   23.448   14.532   15.010   2.9806   11.443   3.9228 3.567310 4.926691 
1 1 1   23   23    8 o   16.528   2.1408   40.411   9.2807   35.204   12.035   48.049   14.576   14.659   3.1505   17.050   3.3022 -2.390744 4.563999 
1 1 1   23   23    9 o   12.770   2.9253   26.344   9.8180   33.925   13.626   18.157   14.159   13.937   3.6107   10.296   3.8307 3.641485 5.264233 
1 1 1   23   23   10 o   17.029   2.3309   43.758   10.381   45.021   13.606   41.999   16.059   16.543   3.1777   15.203   3.9105 1.340086 5.038805 
1 1 1   23   23   11 o   11.267   3.2815   21.690   10.535   43.424   14.273  -4.3284   15.616   15.946   3.4340   7.2448   3.3603 8.701069 4.804577 
1 1 1   23   23   12 o   6.8445   3.2667 -11.4562   16.764 -11.4562   16.764   0.0000   0.0000   6.8445   3.2667  ?   ?  0.000000 3.266713 
1 1 1   23   23   13 o   23.693   2.1598   83.708   13.593  113.088   19.403   55.392   19.049   26.792   2.7347   16.983   4.1996 9.808815 5.011476 
1 1 1   23   23   14 o   12.277   3.6290   27.589   12.800   31.813   18.522   23.727   17.710   12.295   4.4115   10.959   4.2356 1.336264 6.115681 
1 1 1   23   23   15 o   10.156   3.6762   18.817   12.896   33.895   18.229   3.7071   18.248   12.616   4.3896   8.2990   3.7677 4.317401 5.784824 
1 1 1   23   23   16 o   11.495   3.6200   24.735   12.475   29.687   17.321   19.399   17.981   11.849   4.2645   10.110   4.1454 1.739165 5.947299 
1 1 1   23   23   17 o   8.3940   3.5535   9.6300   13.842   4.3630   22.590   12.796   17.514   8.6790   4.0311   9.1140   3.9308 -0.4349146 5.630364 
1 1 1   23   23   18 o   16.008   3.4896   46.569   14.580   11.660   22.752   70.896   18.993   9.2081   4.1907   19.451   3.7716 -10.24292 5.637949 
1 1 1   23   23   19 o   9.5387   3.6112   17.191   12.698   12.850   22.246   19.289   15.465   9.1800   4.1647   9.8375   3.9111 -0.6574850 5.713255 
1 1 1   24    0  -48 o   8.6923   4.8854   16.149   17.279   16.149   17.279   16.149   17.279   8.6923   4.8854   8.6923   4.8854 0.000000 0.000000 
1 1 1   24    0  -47 o   8.5506   4.8991   14.813   17.829   14.813   17.829   14.813   17.829   8.5506   4.8991   8.5506   4.8991 0.000000 0.000000 
1 1 1   24    0  -46 o   4.3367   3.0050  -9.3561   12.088  -9.3561   12.088  -9.3561   12.088   4.3367   3.0050   4.3367   3.0050 0.000000 0.000000 
1 1 1   24    0  -45 o   21.213   2.5265   64.086   13.856   64.086   13.856   64.086   13.856   21.213   2.5265   21.213   2.5265 0.000000 0.000000 
1 1 1   24    0  -44 o   19.951   2.7212   57.393   13.814   57.393   13.814   57.393   13.814   19.951   2.7212   19.951   2.7212 0.000000 0.000000 
1 1 1   24    0  -43 o   4.8981   3.2769  -3.6991   11.933  -3.6991   11.933  -3.6991   11.933   4.8981   3.2769   4.8981   3.2769 0.000000 0.000000 
1 1 1   24    0  -42 o   30.449   2.7488  129.951   22.059  129.951   22.059  129.951   22.059   30.449   2.7488   30.449   2.7488 0.000000 0.000000 
1 1 1   24    0  -41 o   5.9845   3.7152   3.8028   11.963   3.8028   11.963   3.8028   11.963   5.9845   3.7152   5.9845   3.7152 0.000000 0.000000 
1 1 1   24    0  -40 o   48.086   1.5375  313.249   19.812  313.249   19.812  313.249   19.812   48.086   1.5375   48.086   1.5375 0.000000 0.000000 
1 1 1   24    0  -39 o   39.735   2.2476  216.456   23.812  216.456   23.812  216.456   23.812   39.735   2.2476   39.735   2.2476 0.000000 0.000000 
1 1 1   24    0  -38 o   25.061   2.0325   86.699   13.474   86.699   13.474   86.699   13.474   25.061   2.0325   25.061   2.0325 0.000000 0.000000 
1 1 1   24    0  -37 o   15.998   3.2075   38.760   12.224   38.760   12.224   38.760   12.224   15.998   3.2075   15.998   3.2075 0.000000 0.000000 
1 1 1   24    0  -36 o   10.975   4.1371   22.256   11.416   22.256   11.416   22.256   11.416   10.975   4.1371   10.975   4.1371 0.000000 0.000000 
1 1 1   24    0  -35 o   18.060   2.6825   47.042   12.168   47.042   12.168   47.042   12.168   18.060   2.6825   18.060   2.6825 0.000000 0.000000 
1 1 1   24    0  -34 o   21.181   2.2024   62.586   12.219   62.586   12.219   62.586   12.219   21.181   2.2024   21.181   2.2024 0.000000 0.000000 
1 1 1   24    0  -33 o   19.427   2.4012   53.328   12.015   53.328   12.015   53.328   12.015   19.427   2.4012   19.427   2.4012 0.000000 0.000000 
1 1 1   24    0  -32 o   5.5935   3.5489   1.5972   11.569   1.5972   11.569   1.5972   11.569   5.5935   3.5489   5.5935   3.5489 0.000000 0.000000 
1 1 1   24    0  -31 o   6.4005   3.9517   4.3730   13.347   4.3730   13.347   4.3730   13.347   6.4005   3.9517   6.4005   3.9517 0.000000 0.000000 
1 1 1   24    0  -30 o   21.374   2.0743   63.352   11.650   63.352   11.650   63.352   11.650   21.374   2.0743   21.374   2.0743 0.000000 0.000000 
1 1 1   24    0  -29 o   36.743   1.4792  182.591   14.544  182.591   14.544  182.591   14.544   36.743   1.4792   36.743   1.4792 0.000000 0.000000 
1 1 1   24    0  -28 o   21.140   2.1510   62.110   11.923   62.110   11.923   62.110   11.923   21.140   2.1510   21.140   2.1510 0.000000 0.000000 
1 1 1   24    0  -27 o   70.392   2.0099  669.375   37.930  669.375   37.930  669.375   37.930   70.392   2.0099   70.392   2.0099 0.000000 0.000000 
1 1 1   24    0  -26 o   70.481   1.4169  668.969   26.798  668.969   26.798  668.969   26.798   70.481   1.4169   70.481   1.4169 0.000000 0.000000 
1 1 1   24    0  -25 o   27.238   1.6904  100.976   12.258  100.976   12.258  100.976   12.258   27.238   1.6904   27.238   1.6904 0.000000 0.000000 
1 1 1   24    0  -24 o   95.928   1.6108  1238.90   41.478  1238.90   41.478  1238.90   41.478   95.928   1.6108   95.928   1.6108 0.000000 0.000000 
1 1 1   24    0  -23 o   96.834   1.6153  1262.21   41.984  1262.21   41.984  1262.21   41.984   96.834   1.6153   96.834   1.6153 0.000000 0.000000 
1 1 1   24    0  -22 o   20.303   2.0076   57.082   10.702   57.082   10.702   57.082   10.702   20.303   2.0076   20.303   2.0076 0.000000 0.000000 
1 1 1   24    0  -21 o   28.672   1.5850  111.546   12.121  111.546   12.121  111.546   12.121   28.672   1.5850   28.672   1.5850 0.000000 0.000000 
1 1 1   24    0  -20 o   45.005   1.3578  272.985   16.379  272.985   16.379  272.985   16.379   45.005   1.3578   45.005   1.3578 0.000000 0.000000 
1 1 1   24    0  -19 o   86.287   1.5020  1001.79   34.787  1001.79   34.787  1001.79   34.787   86.287   1.5020   86.287   1.5020 0.000000 0.000000 
1 1 1   24    0  -18 o   27.538   1.6570  103.060   12.154  103.060   12.154  103.060   12.154   27.538   1.6570   27.538   1.6570 0.000000 0.000000 
1 1 1   24    0  -17 o   51.261   1.5668  354.214   21.526  354.214   21.526  354.214   21.526   51.261   1.5668   51.261   1.5668 0.000000 0.000000 
1 1 1   24    0  -16 o   21.508   2.7364   65.241   15.110   65.241   15.110   65.241   15.110   21.508   2.7364   21.508   2.7364 0.000000 0.000000 
1 1 1   24    0  -15 o   76.453   1.4278  786.362   29.295  786.362   29.295  786.362   29.295   76.453   1.4278   76.453   1.4278 0.000000 0.000000 
1 1 1   24    0  -14 o   7.9458   3.8070   12.505   9.3550   12.505   9.3550   12.505   9.3550   7.9458   3.8070   7.9458   3.8070 0.000000 0.000000 
1 1 1   24    0  -13 o   32.871   1.4159  146.007   12.448  146.007   12.448  146.007   12.448   32.871   1.4159   32.871   1.4159 0.000000 0.000000 
1 1 1   24    0  -12 o   35.400   1.1033  168.847   10.467  168.847   10.467  168.847   10.467   35.400   1.1033   35.400   1.1033 0.000000 0.000000 
1 1 1   24    0  -11 o   37.005   0.9582  184.316   9.5094  184.316   9.5094  184.316   9.5094   37.005   0.9582   37.005   0.9582 0.000000 0.000000 
1 1 1   24    0  -10 o   53.432   0.9857  383.904   14.135  383.904   14.135  383.904   14.135   53.432   0.9857   53.432   0.9857 0.000000 0.000000 
1 1 1   24    0   -9 o   69.056   1.1748  641.215   21.776  641.215   21.776  641.215   21.776   69.056   1.1748   69.056   1.1748 0.000000 0.000000 
1 1 1   24    0   -8 o   65.315   1.7922  574.680   31.387  574.680   31.387  574.680   31.387   65.315   1.7922   65.315   1.7922 0.000000 0.000000 
1 1 1   24    0   -7 o   8.3983   3.1900   12.852   6.7621   12.852   6.7621   12.852   6.7621   8.3983   3.1900   8.3983   3.1900 0.000000 0.000000 
1 1 1   24    0   -6 o   32.823   1.0672  145.182   9.3862  145.182   9.3862  145.182   9.3862   32.823   1.0672   32.823   1.0672 0.000000 0.000000 
1 1 1   24    0   -5 f   44.104   1.0016  261.698   11.851  261.698   11.851  261.698   11.851   44.104   1.0016   44.104   1.0016 0.000000 0.000000 
1 1 1   24    0   -4 o   30.387   1.2151  124.639   9.8815  124.639   9.8815  124.639   9.8815   30.387   1.2151   30.387   1.2151 0.000000 0.000000 
1 1 1   24    0   -3 o   74.317   1.2177  742.554   24.291  742.554   24.291  742.554   24.291   74.317   1.2177   74.317   1.2177 0.000000 0.000000 
1 1 1   24    0   -2 o   64.789   1.1599  564.438   20.170  564.438   20.170  564.438   20.170   64.789   1.1599   64.789   1.1599 0.000000 0.000000 
1 1 1   24    0   -1 o   61.533   1.1480  509.166   18.959  509.166   18.959  509.166   18.959   61.533   1.1480   61.533   1.1480 0.000000 0.000000 
1 1 1   24    0    0 o   53.797   1.0978  389.254   15.847  389.254   15.847  389.254   15.847   53.797   1.0978   53.797   1.0978 0.000000 0.000000 
1 1 1   24    0    1 o   27.140   1.1932   99.525   8.6596   99.525   8.6596   99.525   8.6596   27.140   1.1932   27.140   1.1932 0.000000 0.000000 
1 1 1   24    0    2 o   33.266   1.0876  149.131   9.6945  149.131   9.6945  149.131   9.6945   33.266   1.0876   33.266   1.0876 0.000000 0.000000 
1 1 1   24    0    3 o   66.319   1.0693  591.274   19.036  591.274   19.036  591.274   19.036   66.319   1.0693   66.319   1.0693 0.000000 0.000000 
1 1 1   24    0    4 o  174.194   2.2020  4081.51  102.990  4081.51  102.990  4081.51  102.990  174.194   2.2020  174.194   2.2020 0.000000 0.000000 
1 1 1   24    0    5 f   72.151   1.1049  699.804   21.400  699.804   21.400  699.804   21.400   72.151   1.1049   72.151   1.1049 0.000000 0.000000 
1 1 1   24    0    6 o   14.763   1.9595   30.806   7.3878   30.806   7.3878   30.806   7.3878   14.763   1.9595   14.763   1.9595 0.000000 0.000000 
1 1 1   24    0    7 o   27.129   1.2124   99.465   8.7939   99.465   8.7939   99.465   8.7939   27.129   1.2124   27.129   1.2124 0.000000 0.000000 
1 1 1   24    0    8 o  102.206   1.3311  1404.23   36.527  1404.23   36.527  1404.23   36.527  102.206   1.3311  102.206   1.3311 0.000000 0.000000 
1 1 1   24    0    9 o   68.396   1.2118  629.076   22.246  629.076   22.246  629.076   22.246   68.396   1.2118   68.396   1.2118 0.000000 0.000000 
1 1 1   24    0   10 o   14.417   2.0415   29.575   7.4481   29.575   7.4481   29.575   7.4481   14.417   2.0415   14.417   2.0415 0.000000 0.000000 
1 1 1   24    0   11 o   9.5651   3.1013   15.641   7.0451   15.641   7.0451   15.641   7.0451   9.5651   3.1013   9.5651   3.1013 0.000000 0.000000 
1 1 1   24    0   12 o   56.253   1.0458  425.556   15.790  425.556   15.790  425.556   15.790   56.253   1.0458   56.253   1.0458 0.000000 0.000000 
1 1 1   24    0   13 o  103.275   1.3448  1433.94   37.288  1433.94   37.288  1433.94   37.288  103.275   1.3448  103.275   1.3448 0.000000 0.000000 
1 1 1   24    0   14 o   68.710   1.1033  634.765   20.350  634.765   20.350  634.765   20.350   68.710   1.1033   68.710   1.1033 0.000000 0.000000 
1 1 1   24    0   15 o   16.950   1.7427   39.834   7.7419   39.834   7.7419   39.834   7.7419   16.950   1.7427   16.950   1.7427 0.000000 0.000000 
1 1 1   24    0   16 o   51.672   1.0428  359.147   14.459  359.147   14.459  359.147   14.459   51.672   1.0428   51.672   1.0428 0.000000 0.000000 
1 1 1   24    0   17 o   28.080   1.2155  106.548   9.1280  106.548   9.1280  106.548   9.1280   28.080   1.2155   28.080   1.2155 0.000000 0.000000 
1 1 1   24    0   18 o   37.734   1.2221  191.936   12.356  191.936   12.356  191.936   12.356   37.734   1.2221   37.734   1.2221 0.000000 0.000000 
1 1 1   24    0   19 o   58.248   1.0758  456.339   16.818  456.339   16.818  456.339   16.818   58.248   1.0758   58.248   1.0758 0.000000 0.000000 
1 1 1   24    0   20 o   43.663   1.0738  256.633   12.576  256.633   12.576  256.633   12.576   43.663   1.0738   43.663   1.0738 0.000000 0.000000 
1 1 1   24    0   21 o   62.445   1.0813  524.443   18.123  524.443   18.123  524.443   18.123   62.445   1.0813   62.445   1.0813 0.000000 0.000000 
1 1 1   24    0   22 o   69.622   1.2078  652.048   22.570  652.048   22.570  652.048   22.570   69.622   1.2078   69.622   1.2078 0.000000 0.000000 
1 1 1   24    0   23 o   19.013   1.6520   49.713   8.2899   49.713   8.2899   49.713   8.2899   19.013   1.6520   19.013   1.6520 0.000000 0.000000 
1 1 1   24    0   24 o   8.1733   3.4436   12.753   7.6213   12.753   7.6213   12.753   7.6213   8.1733   3.4436   8.1733   3.4436 0.000000 0.000000 
1 1 1   24    0   25 o   38.191   1.1245  196.555   11.512  196.555   11.512  196.555   11.512   38.191   1.1245   38.191   1.1245 0.000000 0.000000 
1 1 1   24    0   26 o   3.9486   2.6240  -2.1257   7.4302  -2.1257   7.4302  -2.1257   7.4302   3.9486   2.6240   3.9486   2.6240 0.000000 0.000000 
1 1 1   24    0   27 o   44.050   1.0951  261.335   12.938  261.335   12.938  261.335   12.938   44.050   1.0951   44.050   1.0951 0.000000 0.000000 
1 1 1   24    0   28 o   18.882   1.9130   49.498   9.4735   49.498   9.4735   49.498   9.4735   18.882   1.9130   18.882   1.9130 0.000000 0.000000 
1 1 1   24    0   29 o   28.592   1.4844  110.919   11.329  110.919   11.329  110.919   11.329   28.592   1.4844   28.592   1.4844 0.000000 0.000000 
1 1 1   24    0   30 o   3.2258   2.3012 -13.0220   8.8796 -13.0220   8.8796 -13.0220   8.8796   3.2258   2.3012   3.2258   2.3012 0.000000 0.000000 
1 1 1   24    0   31 o   6.5866   3.6086   8.2852   9.1503   8.2852   9.1503   8.2852   9.1503   6.5866   3.6086   6.5866   3.6086 0.000000 0.000000 
1 1 1   24    0   32 o   27.699   1.4504  104.155   10.723  104.155   10.723  104.155   10.723   27.699   1.4504   27.699   1.4504 0.000000 0.000000 
1 1 1   24    0   33 o   42.455   1.2258  243.156   13.951  243.156   13.951  243.156   13.951   42.455   1.2258   42.455   1.2258 0.000000 0.000000 
1 1 1   24    0   34 o   57.263   1.1337  441.703   17.422  441.703   17.422  441.703   17.422   57.263   1.1337   57.263   1.1337 0.000000 0.000000 
1 1 1   24    0   35 o   4.1416   2.7473  -2.0658   8.0876  -2.0658   8.0876  -2.0658   8.0876   4.1416   2.7473   4.1416   2.7473 0.000000 0.000000 
1 1 1   24    0   36 o   13.039   3.3828   27.300   10.238   27.300   10.238   27.300   10.238   13.039   3.3828   13.039   3.3828 0.000000 0.000000 
1 1 1   24    0   37 o   3.6538   2.5649 -10.2271   9.6301 -10.2271   9.6301 -10.2271   9.6301   3.6538   2.5649   3.6538   2.5649 0.000000 0.000000 
1 1 1   24    0   38 o   41.222   1.3961  229.908   15.418  229.908   15.418  229.908   15.418   41.222   1.3961   41.222   1.3961 0.000000 0.000000 
1 1 1   24    0   39 o   16.527   3.1099   40.993   12.376   40.993   12.376   40.993   12.376   16.527   3.1099   16.527   3.1099 0.000000 0.000000 
1 1 1   24    0   40 o   5.1646   3.2607   1.8199   9.6337   1.8199   9.6337   1.8199   9.6337   5.1646   3.2607   5.1646   3.2607 0.000000 0.000000 
1 1 1   24    0   41 o   45.002   1.2106  273.582   14.609  273.582   14.609  273.582   14.609   45.002   1.2106   45.002   1.2106 0.000000 0.000000 
1 1 1   24    0   42 o   10.575   3.7995   20.362   9.8742   20.362   9.8742   20.362   9.8742   10.575   3.7995   10.575   3.7995 0.000000 0.000000 
1 1 1   24    0   43 o   24.494   1.6582   82.273   10.795   82.273   10.795   82.273   10.795   24.494   1.6582   24.494   1.6582 0.000000 0.000000 
1 1 1   24    0   44 o   16.165   2.4691   37.999   9.9775   37.999   9.9775   37.999   9.9775   16.165   2.4691   16.165   2.4691 0.000000 0.000000 
1 1 1   24    0   45 o   18.732   2.2087   49.725   10.707   49.725   10.707   49.725   10.707   18.732   2.2087   18.732   2.2087 0.000000 0.000000 
1 1 1   24    0   46 o   19.613   2.4023   54.909   12.147   54.909   12.147   54.909   12.147   19.613   2.4023   19.613   2.4023 0.000000 0.000000 
1 1 1   24    0   47 o   21.098   2.6927   64.241   14.580   64.241   14.580   64.241   14.580   21.098   2.6927   21.098   2.6927 0.000000 0.000000 
1 1 1   24    0   48 o   5.9004   3.7260   3.2262   12.587   3.2262   12.587   3.2262   12.587   5.9004   3.7260   5.9004   3.7260 0.000000 0.000000 
1 1 1   24    0   49 o   35.536   1.7155  173.579   16.287  173.579   16.287  173.579   16.287   35.536   1.7155   35.536   1.7155 0.000000 0.000000 
1 1 1   24    0   50 o   7.2266   4.3414   9.8247   15.186   9.8247   15.186   9.8247   15.186   7.2266   4.3414   7.2266   4.3414 0.000000 0.000000 
1 1 1   24    0   51 o   13.474   4.1514   32.937   13.144   32.937   13.144   32.937   13.144   13.474   4.1514   13.474   4.1514 0.000000 0.000000 
1 1 1   24    0   52 o   41.839   1.7988  243.324   20.129  243.324   20.129  243.324   20.129   41.839   1.7988   41.839   1.7988 0.000000 0.000000 
1 1 1   24    1  -48 o   14.460   5.6226   30.280   31.352   0.0000   0.0000   30.280   31.352  ?   ?    14.460   5.6226 0.000000 5.622632 
1 1 1   24    1  -47 o   10.474   3.6868   14.768   12.877   14.250   20.887   15.086   16.356   11.479   4.5511   10.985   4.1113 0.4934855 6.133077 
1 1 1   24    1  -46 o   12.314   3.6131   22.331   12.730   46.642   17.927  -2.3958   18.080   17.628   3.8905   8.8403   3.8991 8.787723 5.508091 
1 1 1   24    1  -45 o   30.289   1.3551  124.315   11.025  130.212   15.465  118.224   15.720   30.819   1.8773   29.318   2.0084 1.501795 2.749146 
1 1 1   24    1  -44 o   12.313   2.8612   21.908   9.2822   16.798   12.907   27.382   13.359   11.058   3.6975   13.639   3.5956 -2.580814 5.157449 
1 1 1   24    1  -43 o   19.223   1.8633   50.814   9.4997   61.726   13.344   39.600   13.527   21.053   2.4028   16.576   3.1536 4.477003 3.964692 
1 1 1   24    1  -42 o   10.512   2.9340   15.835   8.5995   4.7930   12.004   27.476   12.325   8.4005   3.4089   13.718   3.3695 -5.317916 4.793101 
1 1 1   24    1  -41 o   15.466   3.1225   34.504   12.524   42.741   17.863   26.540   17.564   16.975   3.9858   13.546   4.2986 3.429617 5.862144 
1 1 1   24    1  -40 o   19.809   1.7856   53.798   9.3985   55.278   13.639   52.460   12.969   19.855   2.6215   19.354   2.5575 0.5009384 3.662437 
1 1 1   24    1  -39 o   33.357   1.2440  150.338   11.146  146.712   15.871  153.866   15.656   32.795   1.8088   33.606   1.7404 -0.8114929 2.510182 
1 1 1   24    1  -38 o   61.491   1.4541  511.776   24.016  501.707   33.834  521.999   34.094   60.637   2.0774   61.863   2.0519 -1.226028 2.919895 
1 1 1   24    1  -37 o   13.448   2.4220   25.491   8.4262   28.723   12.014   22.362   11.821   14.105   3.2395   12.453   3.4266 1.651958 4.715492 
1 1 1   24    1  -36 o   16.534   2.0072   37.708   8.7311   28.632   12.492   46.375   12.208   14.081   3.3515   18.225   2.5648 -4.144563 4.220253 
1 1 1   24    1  -35 o   37.146   1.1104  185.987   11.079  186.458   15.477  185.492   15.867   37.129   1.5519   37.025   1.5956 0.1038704 2.225824 
1 1 1   24    1  -34 o   9.5281   2.8234   12.658   7.7403   8.4424   10.935   16.892   10.958   8.9408   3.3585   11.015   3.3805 -2.073939 4.765265 
1 1 1   24    1  -33 o   13.739   2.2935   26.364   8.1651   27.520   11.534   25.202   11.560   13.868   3.1661   13.257   3.2675 0.6107388 4.549844 
1 1 1   24    1  -32 o   8.0018   2.8495   7.5992   7.7141   5.6229   10.944   9.5504   10.875   8.3602   3.3007   9.1914   3.3683 -0.8312511 4.715991 
1 1 1   24    1  -31 o   25.700   1.6561   89.649   11.371   97.326   14.780   78.515   17.799   26.704   2.0770   23.790   2.8418 2.913813 3.519889 
1 1 1   24    1  -30 o   61.200   1.2915  504.927   21.230  481.297   32.948  521.701   27.760   59.575   2.0591   62.130   1.6635 -2.554798 2.647121 
1 1 1   24    1  -29 o   9.4859   2.7420   12.549   7.3805   3.2338   10.413   21.953   10.462   7.7501   3.1635   12.416   3.1364 -4.665379 4.454713 
1 1 1   24    1  -28 o   24.420   1.3039   80.588   8.5209   81.168   11.862   79.969   12.248   24.435   1.8205   24.241   1.8962 0.1946754 2.628661 
1 1 1   24    1  -27 o   53.378   0.9833  383.335   14.098  397.664   20.031  369.270   19.846   54.319   1.3730   52.338   1.4118 1.980503 1.969274 
1 1 1   24    1  -26 o   19.465   2.2448   51.998   11.521   59.117   16.635   45.434   15.972   20.589   3.1045   17.922   3.4432 2.667500 4.636131 
1 1 1   24    1  -25 o   34.263   1.0719  157.946   9.8643  147.507   13.706  169.163   14.208   33.078   1.5427   35.427   1.4931 -2.349358 2.146938 
1 1 1   24    1  -24 o   34.659   1.0627  161.589   9.8931  158.044   13.992  165.132   13.990   34.247   1.5212   35.009   1.4878 -0.7620811 2.127797 
1 1 1   24    1  -23 o   38.749   1.0220  201.930   10.636  191.937   15.085  211.810   14.999   37.748   1.4879   39.660   1.4080 -1.912350 2.048497 
1 1 1   24    1  -22 f   32.718   1.0863  143.972   9.5459  129.419   13.444  158.771   13.557   30.950   1.6229   34.337   1.4700 -3.387211 2.189642 
1 1 1   24    1  -21 o  116.395   1.2798  1822.92   40.009  1802.70   56.233  1843.65   56.937  115.636   1.8105  116.942   1.8127 -1.305496 2.562037 
1 1 1   24    1  -20 o   18.144   1.5268   44.636   7.3713   41.412   10.392   47.899   10.457   17.363   2.2838   18.722   2.1168 -1.358204 3.113913 
1 1 1   24    1  -19 o   37.154   1.0100  185.579   10.079  193.518   14.443  178.044   14.071   37.920   1.4180   36.371   1.4404 1.548985 2.021262 
1 1 1   24    1  -18 o   92.964   1.1062  1162.05   27.622  1161.85   39.109  1162.25   39.018   92.899   1.5674   92.916   1.5634 -0.1644897E-01 2.213825 
1 1 1   24    1  -17 o   73.612   0.9966  728.403   19.704  714.458   27.841  742.397   27.891   72.868   1.4225   74.282   1.3979 -1.413574 1.994447 
1 1 1   24    1  -16 o   15.190   1.9181   31.581   7.6512   39.744   11.762   25.594   10.074   16.945   2.6729   13.502   2.8664 3.443377 3.919290 
1 1 1   24    1  -15 o  106.555   1.7043  1528.72   48.776  1457.49   67.288  1607.60   70.805  103.909   2.4110  109.128   2.4156 -5.218887 3.412939 
1 1 1   24    1  -14 o   93.278   1.3966  1170.42   34.989  1180.69   45.333  1155.30   55.030   93.634   1.8025   92.556   2.2136 1.077431 2.854677 
1 1 1   24    1  -13 o   26.408   1.1399   93.759   8.0851  114.454   11.709   74.897   11.178   29.128   1.5017   23.518   1.7828 5.609787 2.331032 
1 1 1   24    1  -12 o   41.964   0.7110  236.586   8.0142  233.383   10.682  240.710   12.122   41.672   0.9544   42.317   1.0665 -0.6451836 1.431146 
1 1 1   24    1  -11 o   56.208   0.7051  424.448   10.644  428.767   15.106  420.189   15.001   56.483   0.9958   55.915   0.9988 0.5679932 1.410399 
1 1 1   24    1  -10 o   33.397   0.7599  149.849   6.8159  156.490   9.2007  141.772   10.147   34.123   1.0039   32.475   1.1633 1.648407 1.536574 
1 1 1   24    1   -9 o   75.496   0.7853  765.771   15.924  768.416   22.543  763.138   22.496   75.609   1.1101   75.349   1.1115 0.2601776 1.570920 
1 1 1   24    1   -8 o   42.904   0.7864  247.316   9.0618  250.163   11.441  242.523   14.845   43.145   0.9872   42.471   1.3014 0.6745071 1.633469 
1 1 1   24    1   -7 o   22.373   0.9256   67.259   5.5623   70.875   7.4182   62.615   8.4069   22.930   1.2088   21.528   1.4626 1.402157 1.897462 
1 1 1   24    1   -6 f   94.241   1.0778  1193.64   27.283  1165.65   38.154  1222.92   39.028   93.094   1.5259   95.353   1.5239 -2.259888 2.156514 
1 1 1   24    1   -5 o   90.922   1.1257  1111.09   27.491  1095.94   41.520  1122.92   36.685   90.251   1.7128   91.376   1.4947 -1.124794 2.273309 
1 1 1   24    1   -4 o  112.217   1.2215  1692.74   36.818  1664.22   59.458  1710.48   46.889  111.181   1.9911  112.772   1.5480 -1.590591 2.522074 
1 1 1   24    1   -3 o   60.779   0.7962  496.290   12.998  499.541   20.384  494.063   16.873   60.960   1.2450   60.634   1.0360 0.3262062 1.619667 
1 1 1   24    1   -2 o   78.604   0.8422  830.116   17.781  809.634   26.087  847.889   24.301   77.608   1.2515   79.426   1.1391 -1.818855 1.692283 
1 1 1   24    1   -1 o   45.144   0.7462  273.790   9.0475  275.462   12.261  271.792   13.406   45.276   1.0082   44.970   1.1099 0.3055916 1.499455 
1 1 1   24    1    0 o   24.107   0.9421   78.086   6.1001   72.232   8.1694   85.464   9.1708   23.142   1.3198   25.176   1.3613 -2.033880 1.896034 
1 1 1   24    1    1 o   45.947   0.7417  283.616   9.1530  302.268   13.623  268.266   12.358   47.426   1.0695   44.680   1.0298 2.745876 1.484655 
1 1 1   24    1    2 o   48.428   0.7156  315.061   9.3087  301.685   13.021  329.045   13.313   47.381   1.0231   49.484   1.0017 -2.102497 1.431835 
1 1 1   24    1    3 o   74.693   0.7897  749.526   15.843  754.729   22.469  744.383   22.342   74.937   1.1164   74.422   1.1177 0.5154800 1.579735 
1 1 1   24    1    4 o  117.332   1.1328  1850.33   35.698  1846.55   50.408  1854.13   50.563  117.165   1.6018  117.405   1.6034 -0.2401886 2.266440 
1 1 1   24    1    5 o   24.606   0.9011   81.349   5.9551   85.606   8.3916   77.031   8.4524   25.235   1.2381   23.900   1.3218 1.335304 1.811109 
1 1 1   24    1    6 f   67.038   0.7638  603.775   13.753  617.449   19.627  590.585   19.276   67.780   1.0781   66.289   1.0827 1.491081 1.527897 
1 1 1   24    1    7 o   40.374   0.7396  218.986   8.0201  219.345   11.386  218.633   11.299   40.399   1.0493   40.334   1.0430 0.6542587E-01 1.479480 
1 1 1   24    1    8 o   30.837   0.8034  127.762   6.6543  122.899   9.3565  132.740   9.4657   30.237   1.1521   31.425   1.1215 -1.187979 1.607765 
1 1 1   24    1    9 o   95.250   0.9814  1219.26   25.109  1196.72   35.207  1242.58   35.819   94.333   1.3895   96.124   1.3873 -1.790588 1.963556 
1 1 1   24    1   10 o   42.072   0.7788  237.814   8.8011  229.801   13.083  244.436   11.895   41.345   1.1782   42.646   1.0384 -1.301136 1.570476 
1 1 1   24    1   11 o   40.593   0.7480  221.392   8.1559  210.154   11.464  232.908   11.605   39.541   1.0795   41.628   1.0380 -2.086903 1.497554 
1 1 1   24    1   12 o  105.320   0.9628  1490.76   27.237  1496.10   38.552  1485.44   38.486  105.470   1.3609  105.093   1.3635 0.3768387 1.926412 
1 1 1   24    1   13 o   56.562   0.7461  429.849   11.335  429.375   16.049  430.320   16.013   56.518   1.0572   56.580   1.0537 -0.6233215E-01 1.492627 
1 1 1   24    1   14 o  156.868   1.3028  3309.51   54.890  3311.58   77.628  3307.45   77.625  156.803   1.8432  156.705   1.8443 0.9802246E-01 2.607422 
1 1 1   24    1   15 o   79.529   0.8585  849.952   18.338  857.807   27.102  843.319   24.905   79.865   1.2634   79.196   1.1708 0.6694107 1.722530 
1 1 1   24    1   16 o  101.284   0.9409  1378.79   25.597  1363.58   35.999  1394.34   36.403  100.683   1.3312  101.812   1.3312 -1.129128 1.882600 
1 1 1   24    1   17 o   77.277   0.8984  802.598   18.648  792.424   26.225  813.005   26.522   76.756   1.2721   77.747   1.2701 -0.9905624 1.797591 
1 1 1   24    1   18 o   28.209   0.8784  106.945   6.6554  104.951   9.2470  109.089   9.5866   27.934   1.2325   28.479   1.2533 -0.5446606 1.757766 
1 1 1   24    1   19 o   40.512   0.7653  220.550   8.3280  220.671   11.740  220.427   11.815   40.511   1.0790   40.489   1.0865 0.2277374E-01 1.531204 
1 1 1   24    1   20 o   39.876   0.7731  213.684   8.2796  203.531   11.626  224.132   11.794   38.903   1.1127   40.827   1.0755 -1.923229 1.547505 
1 1 1   24    1   21 o   62.488   0.7729  524.764   12.972  523.057   18.401  526.449   18.289   62.364   1.0986   62.567   1.0883 -0.2027092 1.546371 
1 1 1   24    1   22 f   22.189   1.0734   66.215   6.3969   75.062   8.9710   57.064   9.1241   23.569   1.4238   20.510   1.6708 3.058849 2.195169 
1 1 1   24    1   23 o   38.216   0.7935  196.300   8.1450  193.710   11.514  198.894   11.523   37.946   1.1297   38.451   1.1158 -0.5051270 1.587826 
1 1 1   24    1   24 o   32.821   0.8810  144.831   7.7660  148.196   11.498  142.007   10.531   33.178   1.2902   32.483   1.2071 0.6952629 1.766837 
1 1 1   24    1   25 o   29.983   0.9286  120.895   7.4782  121.709   11.124  120.224   10.101   30.058   1.3779   29.882   1.2586 0.1763668 1.866142 
1 1 1   24    1   26 o   33.153   0.9144  147.828   8.1428  142.586   12.385  151.819   10.807   32.527   1.4177   33.580   1.1982 -1.053436 1.856172 
1 1 1   24    1   27 o   32.580   0.8708  142.753   7.6200  139.266   10.951  146.027   10.610   32.153   1.2680   32.930   1.1996 -0.7765961 1.745521 
1 1 1   24    1   28 o   53.482   0.8097  384.647   11.631  394.530   16.978  375.908   15.966   54.126   1.1678   52.838   1.1250 1.287533 1.621572 
1 1 1   24    1   29 o   16.114   1.6453   35.437   7.0214   40.410   9.2614   28.714   10.767   17.149   2.0514   14.242   2.9129 2.906817 3.562788 
1 1 1   24    1   30 o   28.305   0.9873  107.839   7.5061  103.042   9.8966  114.337   11.517   27.643   1.3329   29.068   1.4801 -1.424772 1.991803 
1 1 1   24    1   31 o   49.337   0.8381  327.444   11.106  344.664   14.987  306.468   16.541   50.586   1.1031   47.675   1.2918 2.911179 1.698642 
1 1 1   24    1   32 o   27.821   0.9911  104.201   7.4056  108.558   10.339   99.610   10.612   28.366   1.3571   27.123   1.4621 1.243019 1.994866 
1 1 1   24    1   33 o   44.629   1.0192  268.220   12.217  268.130   15.496  268.367   19.859   44.585   1.2940   44.541   1.6600 0.4349518E-01 2.104786 
1 1 1   24    1   34 o   53.060   0.9100  378.969   12.969  381.177   17.314  376.145   19.576   53.167   1.2124   52.783   1.3808 0.3840866 1.837565 
1 1 1   24    1   35 o   38.185   0.9329  196.324   9.5676  197.436   14.387  195.442   12.811   38.231   1.4011   38.060   1.2532 0.1714745 1.879769 
1 1 1   24    1   36 o   31.829   1.0737  136.557   9.1787  145.333   11.480  121.001   15.283   32.808   1.3027   29.782   1.9209 3.025738 2.320961 
1 1 1   24    1   37 o   28.045   1.1562  106.118   8.7096  105.045   12.052  107.292   12.601   27.796   1.6214   28.080   1.6784 -0.2845116 2.333645 
1 1 1   24    1   38 o   35.586   1.2018  170.981   11.487  153.702   19.645  179.958   14.160   33.463   2.1979   36.465   1.4458 -3.001488 2.630800 
1 1 1   24    1   39 o   59.688   0.8359  479.765   13.401  476.112   18.770  483.564   19.139   59.381   1.1769   59.840   1.1908 -0.4590683 1.674222 
1 1 1   24    1   40 o   57.704   0.8802  448.590   13.643  465.549   20.661  435.480   18.166   58.673   1.3111   56.781   1.1911 1.891926 1.771363 
1 1 1   24    1   41 o   9.3058   2.7066   12.243   7.1716   7.6163   10.802   15.890   9.5905   8.6643   3.3185   10.571   3.1451 -1.907043 4.572131 
1 1 1   24    1   42 o   46.250   0.8698  288.179   10.805  282.535   15.194  293.952   15.368   45.720   1.2373   46.637   1.2269 -0.9171066 1.742469 
1 1 1   24    1   43 o   13.248   2.0351   24.513   7.0097   24.849   9.8089   24.163   10.021   13.136   2.8612   12.931   2.9505 0.2046309 4.109943 
1 1 1   24    1   44 o   17.501   1.5926   41.935   7.4042   39.603   10.613   44.147   10.335   16.793   2.4232   17.809   2.2079 -1.016432 3.278190 
1 1 1   24    1   45 o   11.996   2.4343   20.555   7.5756   27.865   11.620   15.151   9.9907   13.807   3.1965   10.355   3.2361 3.452350 4.548627 
1 1 1   24    1   46 o   45.939   1.0362  285.074   12.786  297.129   18.679  274.447   17.538   46.756   1.4874   44.948   1.4527 1.807701 2.079092 
1 1 1   24    1   47 o   29.842   1.2335  120.733   9.8870  132.160   13.940  109.166   14.025   31.056   1.6774   28.149   1.8656 2.906754 2.508829 
1 1 1   24    1   48 o   28.014   1.6476  107.804   12.342  107.565   14.198  108.544   24.969   27.877   1.9077   27.083   3.5155 0.7943478 3.999762 
1 1 1   24    1   49 o   24.614   1.5654   83.332   10.295   86.252   13.898   79.780   15.325   24.810   2.1055   23.686   2.4441 1.124687 3.225916 
1 1 1   24    1   50 o   15.494   2.3945   34.647   9.6437   31.511   12.868   38.666   14.566   14.301   3.3999   15.812   3.5201 -1.510733 4.893956 
1 1 1   24    1   51 o   10.724   3.3008   17.600   10.439   13.453   14.840   21.662   14.688   10.116   3.8861   11.750   3.9442 -1.634096 5.537035 
1 1 1   24    1   52 o   13.600   2.6331   27.665   9.2705   27.528   13.270   27.795   12.956   13.044   3.6461   13.141   3.5755 -0.9766388E-01 5.106754 
1 1 1   24    2  -47 o   8.4235   3.7056  -1.2736   16.230   0.0000   0.0000  -1.2736   16.230  ?   ?    8.4235   3.7056 0.000000 3.705628 
1 1 1   24    2  -46 o   9.7000   3.5916   11.456   12.416   9.2317   17.368   13.782   17.758   10.182   4.1113   10.970   4.2410 -0.7883348 5.906707 
1 1 1   24    2  -45 o   33.402   1.6856  152.492   15.074  179.602   20.744  122.161   21.941   36.064   2.1513   29.424   2.8105 6.639673 3.539337 
1 1 1   24    2  -44 o   17.822   2.0193   44.027   9.4959   43.922   13.450   44.132   13.409   17.500   2.9675   17.549   2.9493 -0.4923248E-01 4.183771 
1 1 1   24    2  -43 f   11.558   2.9372   19.343   9.1376   39.883   12.901  -1.3324   12.944   16.673   2.9909   7.6649   3.3420 9.007824 4.484920 
1 1 1   24    2  -42 o   16.885   2.1176   39.608   9.3927   42.225   13.069   36.811   13.508   17.198   2.9346   15.928   3.2671 1.269526 4.391572 
1 1 1   24    2  -41 o   8.6633   3.0010   9.6023   8.5156   7.3598   12.102   11.801   11.984   8.9048   3.4847   9.8108   3.5450 -0.9060373 4.970942 
1 1 1   24    2  -40 f   21.253   2.2957   62.686   12.897   60.668   18.902   64.443   17.641   20.456   3.5702   21.247   3.1896 -0.7913494 4.787491 
1 1 1   24    2  -39 f   8.6953   2.9892   9.7451   8.4408   20.931   11.806  -1.9502   12.072   12.033   3.4651   7.3291   3.2107 4.703703 4.723912 
1 1 1   24    2  -38 o   7.0566   2.8507   3.2861   8.3538   16.229   11.457 -11.4069   12.207   10.815   3.4760   6.2281   2.9159 4.586833 4.537044 
1 1 1   24    2  -37 o   39.186   1.5441  208.065   16.252  177.230   22.248  243.343   23.797   35.895   2.3200   42.219   2.0986 -6.323517 3.128365 
1 1 1   24    2  -36 o   19.499   1.7171   51.975   8.9014   49.924   12.516   54.074   12.662   18.915   2.5267   19.720   2.4429 -0.8056316 3.514560 
1 1 1   24    2  -35 o   24.655   1.4263   82.441   9.4050   82.280   13.273   82.603   13.329   24.507   2.0348   24.554   2.0394 -0.4718208E-01 2.880933 
1 1 1   24    2  -34 f   41.842   1.0795  235.948   12.132  225.472   16.765  247.464   17.578   40.830   1.5287   42.775   1.5300 -1.944759 2.162812 
1 1 1   24    2  -33 o   44.543   1.0403  267.278   12.446  274.622   17.608  259.946   17.593   45.085   1.4541   43.857   1.4935 1.228443 2.084476 
1 1 1   24    2  -32 o   31.911   1.1529  137.243   9.8814  128.227   13.781  146.785   14.176   30.739   1.6755   32.947   1.6020 -2.207544 2.318083 
1 1 1   24    2  -31 o   23.880   1.3879   77.216   8.8632   79.094   12.528   75.335   12.540   24.073   1.9545   23.480   2.0078 0.5932064 2.802028 
1 1 1   24    2  -30 o   19.828   2.0352   53.880   10.685   42.909   13.312   73.749   17.914   17.465   2.9423   23.007   2.9682 -5.542255 4.179400 
1 1 1   24    2  -29 o   14.792   2.6959   30.776   10.316   37.210   15.402   25.541   13.892   16.090   3.6480   13.371   3.7281 2.719223 5.216006 
1 1 1   24    2  -28 o   76.304   1.0381  783.795   21.275  783.929   30.069  783.661   30.105   76.218   1.4688   76.204   1.4708 0.1354980E-01 2.078669 
1 1 1   24    2  -27 o   28.025   1.2098  105.800   9.1061  100.231   12.546  112.001   13.238   27.180   1.7275   28.738   1.7230 -1.558323 2.439877 
1 1 1   24    2  -26 o   24.675   1.3011   82.268   8.5928   73.929   12.093   90.773   12.212   23.295   1.9507   25.859   1.7689 -2.564030 2.633280 
1 1 1   24    2  -25 o   44.890   1.3738  271.555   16.564  284.052   23.667  259.557   23.189   45.835   1.9224   43.807   1.9709 2.028362 2.753194 
1 1 1   24    2  -24 o   58.668   1.1257  463.224   17.738  447.257   30.043  471.769   21.977   57.525   1.9444   59.174   1.3828 -1.648590 2.385950 
1 1 1   24    2  -23 o   80.904   1.0523  880.549   22.867  867.186   32.063  894.382   32.621   80.219   1.4881   81.466   1.4908 -1.247658 2.106430 
1 1 1   24    2  -22 o   36.944   1.0189  183.564   10.111  189.078   14.367  178.154   14.231   37.467   1.4277   36.367   1.4569 1.100651 2.039841 
1 1 1   24    2  -21 o   46.602   0.9554  292.015   11.959  288.622   16.667  295.617   17.171   46.303   1.3401   46.859   1.3643 -0.5556831 1.912366 
1 1 1   24    2  -20 o  106.394   1.2048  1522.95   34.429  1513.84   48.586  1532.14   48.793  105.979   1.7069  106.618   1.7039 -0.6391220 2.411768 
1 1 1   24    2  -19 o   43.081   0.9658  249.519   11.175  258.216   15.766  240.737   15.843   43.803   1.3400   42.291   1.3948 1.512249 1.934215 
1 1 1   24    2  -18 o   21.268   1.3561   61.118   7.7061   58.645   10.980   63.518   10.818   20.757   1.9940   21.624   1.8813 -0.8677635 2.741425 
1 1 1   24    2  -17 o   48.510   0.9390  316.321   12.234  311.962   17.318  320.665   17.286   48.151   1.3391   48.820   1.3183 -0.6684494 1.879080 
1 1 1   24    2  -16 o   19.469   1.4215   51.278   7.3819   47.116   10.364   55.564   10.517   18.570   2.1156   20.207   1.9625 -1.637094 2.885717 
1 1 1   24    2  -15 o   62.794   0.9548  530.007   16.103  530.568   22.829  529.452   22.718   62.799   1.3535   62.733   1.3483 0.6562042E-01 1.910418 
1 1 1   24    2  -14 o   21.760   1.4996   64.024   8.7112   66.396   15.454   62.920   10.546   22.003   2.6696   21.533   1.8412 0.4702511 3.243003 
1 1 1   24    2  -13 o   45.924   1.1847  283.599   14.613  291.853   19.091  271.924   22.707   46.568   1.5264   44.925   1.8818 1.642891 2.423002 
1 1 1   24    2  -12 o   90.057   0.9940  1090.13   24.044  1082.13   29.347  1106.44   41.932   89.706   1.2180   90.649   1.7222 -0.9423523 2.109406 
1 1 1   24    2  -11 o  120.794   1.0975  1961.56   35.607  1949.77   48.081  1975.89   52.988  120.378   1.4871  121.158   1.6283 -0.7804947 2.205170 
1 1 1   24    2  -10 o   67.296   0.7466  608.484   13.495  600.517   19.051  616.506   19.117   66.838   1.0612   67.723   1.0510 -0.8845291 1.493581 
1 1 1   24    2   -9 o   92.061   0.9660  1139.06   23.886  1137.68   33.767  1140.44   33.793   91.970   1.3669   92.082   1.3663 -0.1117783 1.932710 
1 1 1   24    2   -8 o   72.546   0.8103  707.159   15.789  709.585   21.388  704.253   23.407   72.655   1.0960   72.374   1.2041 0.2806473 1.628204 
1 1 1   24    2   -7 o   23.560   0.8862   74.588   5.6078   77.403   8.2149   72.131   7.6740   23.958   1.2812   23.129   1.2398 0.8295631 1.782912 
1 1 1   24    2   -6 o   40.904   0.8112  224.808   8.9117  218.567   11.995  232.498   13.315   40.324   1.1075   41.586   1.1921 -1.262169 1.627113 
1 1 1   24    2   -5 o   66.254   0.8644  589.838   15.382  594.840   20.891  583.915   22.732   66.519   1.1693   65.899   1.2843 0.6206207 1.736857 
1 1 1   24    2   -4 o   44.552   0.7750  266.678   9.2735  269.744   12.113  262.337   14.414   44.801   1.0067   44.174   1.2149 0.6269188 1.577757 
1 1 1   24    2   -3 o   26.175   0.8738   92.059   6.1431   92.969   9.1488   91.311   8.2899   26.295   1.2954   26.062   1.1843 0.2328606 1.755127 
1 1 1   24    2   -2 f  115.176   1.1123  1783.09   34.408  1783.53   54.256  1782.80   44.501  115.115   1.7548  115.132   1.4391 -0.1784515E-01 2.269419 
1 1 1   24    2   -1 o   74.104   0.9049  737.909   18.011  706.039   30.388  755.167   22.362   72.445   1.5617   74.955   1.1108 -2.510193 1.916438 
1 1 1   24    2    0 o   50.798   0.8223  346.710   11.219  340.703   16.561  351.805   15.252   50.341   1.2248   51.160   1.1100 -0.8184547 1.652936 
1 1 1   24    2    1 o   55.879   0.7954  419.529   11.937  423.360   16.776  415.599   16.990   56.122   1.1129   55.604   1.1376 0.5178871 1.591452 
1 1 1   24    2    2 f   39.197   0.7663  206.424   8.0673  194.327   11.764  217.163   11.084   38.022   1.1520   40.197   1.0266 -2.175827 1.543035 
1 1 1   24    2    3 o   25.482   1.0197   87.270   6.9790   82.270   10.292   91.527   9.4959   24.680   1.5606   26.053   1.3617 -1.373348 2.071167 
1 1 1   24    2    4 o   33.428   0.7829  150.134   7.0295  158.157   10.022  142.363   9.8627   34.302   1.0877   32.544   1.1283 1.758862 1.567261 
1 1 1   24    2    5 o   25.403   0.8887   86.714   6.0635   86.525   8.5126   86.909   8.6389   25.368   1.2493   25.424   1.2651 -0.5585480E-01 1.778022 
1 1 1   24    2    6 o   19.444   1.0400   50.961   5.4120   50.083   7.6995   51.819   7.6088   19.237   1.5021   19.574   1.4577 -0.3368549 2.093145 
1 1 1   24    2    7 o   97.046   0.9120  1265.61   23.771  1267.82   33.648  1263.41   33.586   97.100   1.2902   96.931   1.2901 0.1689911 1.824508 
1 1 1   24    2    8 o  127.144   1.2012  2173.46   41.021  2139.69   57.571  2208.29   58.465  126.080   1.7001  128.085   1.6994 -2.005341 2.403820 
1 1 1   24    2    9 o   84.488   0.9240  959.292   20.967  943.452   26.986  983.418   33.305   83.767   1.1994   85.500   1.4503 -1.732635 1.882007 
1 1 1   24    2   10 o   61.444   0.7541  507.265   12.445  493.835   17.442  521.191   17.761   60.611   1.0714   62.268   1.0619 -1.656696 1.508531 
1 1 1   24    2   11 o   60.455   0.7527  491.061   12.223  491.984   17.344  490.150   17.228   60.497   1.0674   60.384   1.0622 0.1125412 1.505876 
1 1 1   24    2   12 o   85.259   0.8506  976.829   19.478  1001.47   27.853  953.247   27.248   86.300   1.2016   84.196   1.2049 2.103737 1.701674 
1 1 1   24    2   13 o   82.778   0.8409  920.810   18.695  943.084   26.699  899.382   26.187   83.746   1.1870   81.782   1.1922 1.963821 1.682287 
1 1 1   24    2   14 o   72.555   0.7971  707.380   15.533  715.018   22.081  699.897   21.855   72.923   1.1274   72.148   1.1278 0.7752533 1.594659 
1 1 1   24    2   15 o   61.393   0.7615  506.460   12.556  505.229   17.766  507.689   17.749   61.301   1.0790   61.450   1.0754 -0.1492691 1.523386 
1 1 1   24    2   16 o   68.961   0.9089  639.199   16.835  646.322   25.367  633.593   22.506   69.308   1.3627   68.635   1.2209 0.6731567 1.829581 
1 1 1   24    2   17 o   38.272   0.9069  196.878   9.3227  209.962   14.102  186.721   12.425   39.503   1.3291   37.257   1.2416 2.245995 1.818851 
1 1 1   24    2   18 o   54.106   0.7912  393.412   11.498  388.814   17.043  397.254   15.576   53.765   1.1802   54.353   1.0669 -0.5880775 1.590952 
1 1 1   24    2   19 o  127.005   1.1551  2169.64   39.403  2150.89   58.176  2185.52   53.558  126.336   1.7145  127.386   1.5653 -1.049545 2.321561 
1 1 1   24    2   20 o   90.607   0.9308  1103.72   22.653  1096.45   33.543  1109.81   30.715   90.249   1.3838   90.816   1.2592 -0.5669022 1.870934 
1 1 1   24    2   21 o   96.853   1.1159  1261.84   29.028  1215.61   46.147  1292.12   37.340   94.933   1.8098   97.957   1.4192 -3.024033 2.299924 
1 1 1   24    2   22 o   80.224   0.8750  865.257   18.854  889.765   28.086  845.155   25.437   81.300   1.2862   79.249   1.1950 2.051369 1.755702 
1 1 1   24    2   23 o   13.386   1.6159   24.510   5.6923   20.692   8.1698   28.112   7.9355   12.124   2.5877   14.263   2.1372 -2.139507 3.356172 
1 1 1   24    2   24 o   31.354   0.8887  132.197   7.4836  126.095   10.713  138.012   10.458   30.598   1.3035   32.017   1.2162 -1.419121 1.782775 
1 1 1   24    2   25 o   24.811   1.0080   82.825   6.7176   86.589   9.2108   78.547   9.8185   25.313   1.3597   24.085   1.5257 1.228022 2.043643 
1 1 1   24    2   26 o   31.391   0.8813  132.540   7.4303  134.267   10.386  130.729   10.635   31.573   1.2247   31.150   1.2711 0.4223328 1.765101 
1 1 1   24    2   27 o   16.705   1.3364   37.857   5.9462   28.503   8.2654   47.891   8.5609   14.331   2.2190   18.748   1.7192 -4.417026 2.807102 
1 1 1   24    2   28 o   17.982   1.4089   43.883   6.7503   48.006   9.2376   39.159   9.8885   18.744   1.8594   16.838   2.2422 1.906082 2.912896 
1 1 1   24    2   29 o   50.679   0.7949  345.432   10.821  334.099   14.914  358.027   15.723   49.804   1.1149   51.554   1.1354 -1.749866 1.591323 
1 1 1   24    2   30 o   16.425   1.5546   36.767   6.7768   36.345   8.3555   37.579   11.585   16.261   1.9521   16.370   2.7312 -0.1083603 3.357038 
1 1 1   24    2   31 o   31.669   1.0069  135.042   8.5651  128.838   10.533  147.155   14.717   30.910   1.2687   32.943   1.6687 -2.033220 2.096241 
1 1 1   24    2   32 o   32.755   1.0129  144.486   8.9109  154.193   11.642  130.754   13.847   33.810   1.2820   31.043   1.6669 2.766499 2.102829 
1 1 1   24    2   33 o   7.0216   2.6845   4.7128   7.0605   0.9297   9.6818   9.0101   10.319   7.0599   2.9794   8.9316   3.2799 -1.871696 4.431095 
1 1 1   24    2   34 f   33.052   1.0796  147.227   9.5844  151.236   13.108  142.620   14.050   33.450   1.4589   32.461   1.6115 0.9896164 2.173807 
1 1 1   24    2   35 o   36.866   0.9482  183.051   9.3888  196.650   12.660  166.430   13.996   38.172   1.2348   35.078   1.4855 3.093975 1.931701 
1 1 1   24    2   36 o   7.9425   2.6150   8.3372   6.4639  -0.8348   8.9800   18.199   9.3117   6.4791   2.8045   11.267   3.0169 -4.788044 4.119061 
1 1 1   24    2   37 o   47.732   0.9106  306.921   11.674  308.173   15.702  305.374   17.455   47.769   1.2238   47.518   1.3676 0.2506142 1.835254 
1 1 1   24    2   38 o   24.168   1.5342   79.482   9.9069   76.510   13.736   82.704   14.302   23.547   2.1972   24.489   2.1978 -0.9418907 3.107744 
1 1 1   24    2   39 f   4.4205   2.1012  -8.3463   6.7933  -9.4594   10.165  -7.4477   9.1322   5.7012   2.6665   5.5412   2.5700 0.1599650 3.703377 
1 1 1   24    2   40 f   28.888   1.0403  112.591   8.0719  109.573   11.224  115.824   11.616   28.395   1.4768   29.194   1.4864 -0.7985058 2.095299 
1 1 1   24    2   41 o   9.1155   2.6100   11.773   6.7160   1.3817   9.2736   23.234   9.7391   6.9615   2.9257   12.683   2.9194 -5.721565 4.133148 
1 1 1   24    2   42 o   49.399   0.9768  329.075   12.960  309.867   20.862  341.148   16.539   47.760   1.6263   50.237   1.2257 -2.476624 2.036444 
1 1 1   24    2   43 f   27.883   1.1609  105.047   8.6937  105.889   12.735  104.312   11.897   27.845   1.7111   27.663   1.6082 0.1819801 2.348223 
1 1 1   24    2   44 o   19.703   1.4975   53.000   7.8655   49.140   10.990   57.053   11.262   18.782   2.2215   20.294   2.0963 -1.511238 3.054464 
1 1 1   24    2   45 o   35.406   1.1025  169.455   10.485  171.883   14.682  166.927   14.978   35.550   1.5376   35.017   1.5925 0.5323143 2.213652 
1 1 1   24    2   46 o   30.225   1.3227  123.998   10.738  130.569   14.179  115.159   16.444   30.859   1.7175   28.810   2.1403 2.048668 2.744227 
1 1 1   24    2   47 o   22.864   1.5406   71.683   9.4056   66.127   12.780   78.248   13.893   21.714   2.2226   23.640   2.2138 -1.926678 3.137003 
1 1 1   24    2   48 o   9.5333   2.9803   13.154   8.4727   18.569   11.500   6.7244   12.531   11.155   3.4695   8.6788   3.4965 2.476377 4.925784 
1 1 1   24    2   49 o   13.189   3.0981   26.317   10.788   21.512   13.029   36.794   19.238   11.826   3.6955   14.963   4.4552 -3.136728 5.788405 
1 1 1   24    2   50 o   19.936   1.8300   55.676   9.6898   79.933   13.876   32.590   13.537   23.708   2.2043   14.404   3.5273 9.304631 4.159421 
1 1 1   24    2   51 o   16.632   2.2282   39.924   9.7038   30.697   13.121   51.061   14.416   13.871   3.5170   18.346   3.0315 -4.475473 4.643199 
1 1 1   24    3  -46 o   23.706   3.2278   82.073   20.018   0.0000   0.0000   82.073   20.018  ?   ?    23.706   3.2278 0.000000 3.227777 
1 1 1   24    3  -45 o   8.0135   3.3373   3.2372   11.902   16.937   16.363 -12.1579   17.346   11.346   4.1357   7.6199   3.5368 3.726337 5.441789 
1 1 1   24    3  -44 o   6.5665   2.9662  -4.9815   11.144  -0.6790   14.975 -10.3200   16.681   8.2777   3.6023   7.6472   3.5205 0.6305127 5.036939 
1 1 1   24    3  -43 f   21.763   1.6727   64.848   9.7029   71.103   13.396   57.945   14.073   22.632   2.2328   20.272   2.6479 2.360195 3.463668 
1 1 1   24    3  -42 o   24.713   1.5915   83.310   10.508   87.023   14.878   79.615   14.843   25.076   2.2323   23.942   2.3380 1.133926 3.232586 
1 1 1   24    3  -41 o   21.192   1.7273   61.500   9.7460   59.886   13.577   63.216   13.999   20.696   2.4925   21.269   2.4980 -0.5731335 3.528817 
1 1 1   24    3  -40 o   34.456   1.3029  160.633   12.057  166.018   16.173  153.893   18.092   34.931   1.7238   33.493   2.0206 1.438141 2.655955 
1 1 1   24    3  -39 o   9.3789   3.4476   10.337   11.405   30.608   17.127  -5.8127   15.287   14.370   4.1837   7.7855   3.4995 6.584806 5.454312 
1 1 1   24    3  -38 o   19.432   1.7891   51.815   9.2329   57.744   12.916   45.618   13.204   20.356   2.4090   17.931   2.8359 2.424858 3.720974 
1 1 1   24    3  -37 o   6.1591   2.6834  -1.1861   8.3296 -12.4684   11.759   10.175   11.800   5.9648   2.8142   9.4344   3.4997 -3.469603 4.490857 
1 1 1   24    3  -36 o   34.925   1.6441  165.509   15.423  182.357   22.112  149.548   21.522   36.423   2.2716   32.907   2.4527 3.516392 3.342977 
1 1 1   24    3  -35 o   24.626   1.4411   82.324   9.4904   98.537   13.666   67.220   13.190   26.848   1.9075   22.064   2.2575 4.784628 2.955491 
1 1 1   24    3  -34 o   23.638   1.4521   75.841   9.1748   83.237   12.873   68.205   13.080   24.664   1.9593   22.250   2.2183 2.414310 2.959681 
1 1 1   24    3  -33 o   32.175   1.1788  139.629   10.187  134.431   14.270  145.030   14.547   31.454   1.6954   32.681   1.6628 -1.226963 2.374688 
1 1 1   24    3  -32 o   10.530   2.6974   15.779   7.6627   6.0413   10.634   26.296   11.051   8.3448   3.2663   13.545   3.1042 -5.199814 4.506040 
1 1 1   24    3  -31 o   19.070   1.6600   49.574   8.4173   33.835   11.883   65.426   11.925   15.440   2.9732   21.851   2.0561 -6.411207 3.614911 
1 1 1   24    3  -30 o   24.837   1.3399   83.478   8.9053   79.615   12.524   87.428   12.665   24.151   1.9473   25.330   1.8749 -1.178625 2.703178 
1 1 1   24    3  -29 o   29.202   1.2917  115.005   10.131  109.660   13.341  122.286   15.570   28.411   1.7569   29.970   1.9448 -1.559557 2.620861 
1 1 1   24    3  -28 f   25.934   1.8361   91.515   12.707  101.603   17.997   81.485   17.944   27.191   2.4919   24.247   2.8071 2.943573 3.753646 
1 1 1   24    3  -27 o   57.158   0.9985  439.774   15.330  454.088   21.789  425.744   21.572   58.016   1.3983   56.170   1.4298 1.845703 1.999915 
1 1 1   24    3  -26 o   14.074   2.0863   27.423   7.6477   25.108   10.705   29.835   10.929   13.279   3.0638   14.524   2.9031 -1.244935 4.220765 
1 1 1   24    3  -25 o   17.952   1.6931   43.919   8.0672   32.132   11.158   56.830   11.678   15.103   2.8551   20.360   2.1688 -5.256939 3.585456 
1 1 1   24    3  -24 o   50.667   1.2052  345.733   16.401  349.364   20.885  339.894   26.489   50.889   1.5280   50.120   1.9677 0.7688484 2.491306 
1 1 1   24    3  -23 o   34.328   1.2575  158.708   11.594  135.960   19.516  171.115   14.413   31.583   2.3168   35.623   1.5064 -4.039570 2.763486 
1 1 1   24    3  -22 o   43.416   0.9825  253.546   11.457  254.915   16.122  252.149   16.286   43.499   1.3799   43.260   1.4016 0.2388344 1.966893 
1 1 1   24    3  -21 o   22.834   1.3388   70.453   8.1752   74.003   11.546   66.885   11.577   23.340   1.8572   22.165   1.9649 1.174192 2.703751 
1 1 1   24    3  -20 o   93.801   1.1229  1183.77   28.290  1191.06   40.071  1176.52   39.946   94.005   1.5871   93.428   1.5919 0.5769501 2.247836 
1 1 1   24    3  -19 o   52.454   0.9511  369.956   13.400  358.552   18.881  381.528   19.020   51.606   1.3622   53.237   1.3301 -1.630905 1.903866 
1 1 1   24    3  -18 o   63.524   0.9650  542.570   16.465  534.479   23.140  550.867   23.433   63.012   1.3673   63.971   1.3638 -0.9591293 1.931187 
1 1 1   24    3  -17 o   21.054   1.3598   59.910   7.6486   70.017   10.893   50.082   10.742   22.719   1.7999   19.144   2.1250 3.575363 2.784811 
1 1 1   24    3  -16 o   78.052   1.0169  819.103   21.317  831.501   30.374  807.069   29.925   78.594   1.4389   77.430   1.4389 1.163269 2.034927 
1 1 1   24    3  -15 o   26.281   1.1500   92.893   8.1180   82.737   11.373  103.443   11.591   24.721   1.7236   27.673   1.5660 -2.951279 2.328719 
1 1 1   24    3  -14 o   80.375   1.0312  868.547   22.261  859.427   31.264  877.927   31.705   79.908   1.4567   80.763   1.4616 -0.8548965 2.063542 
1 1 1   24    3  -13 o   72.756   1.1445  711.830   22.365  681.742   38.197  727.526   27.588   71.104   2.0001   73.530   1.3969 -2.425270 2.439591 
1 1 1   24    3  -12 o   95.333   0.9731  1221.68   24.918  1199.81   38.727  1237.13   32.550   94.411   1.5272   95.904   1.2637 -1.492149 1.982231 
1 1 1   24    3  -11 o   45.029   0.7212  272.441   8.7229  272.670   11.913  272.176   12.808   45.039   0.9848   44.995   1.0598 0.4416275E-01 1.446708 
1 1 1   24    3  -10 o   27.022   0.9039   98.133   6.5600   90.096   8.5547  109.606   10.221   25.883   1.2305   28.545   1.3331 -2.661682 1.814210 
1 1 1   24    3   -9 o   42.144   0.8313  238.677   9.4096  235.265   11.426  245.867   16.588   41.835   1.0168   42.747   1.4447 -0.9115753 1.766696 
1 1 1   24    3   -8 o   96.857   0.9882  1260.97   25.707  1253.75   33.291  1271.63   40.459   96.550   1.2837   97.203   1.5497 -0.6528778 2.012329 
1 1 1   24    3   -7 o   55.409   0.7204  412.500   10.721  423.615   15.266  401.684   15.060   56.138   1.0125   54.665   1.0257 1.473186 1.441221 
1 1 1   24    3   -6 f   80.854   0.8174  878.450   17.750  906.426   25.493  852.125   24.729   82.108   1.1560   79.610   1.1565 2.497421 1.635178 
1 1 1   24    3   -5 o   34.527   0.8847  160.202   8.2042  153.688   10.954  168.525   12.381   33.808   1.2063   35.399   1.3022 -1.590721 1.775126 
1 1 1   24    3   -4 o   40.024   0.7917  215.241   8.5105  221.715   11.179  206.316   13.125   40.614   1.0248   39.170   1.2476 1.444160 1.614503 
1 1 1   24    3   -3 o   22.454   0.9642   67.765   5.8154   69.773   8.0578   65.581   8.4014   22.738   1.3251   22.034   1.4273 0.7048779 1.947585 
1 1 1   24    3   -2 o  119.007   1.0437  1903.71   33.360  1906.38   47.207  1901.05   47.150  119.037   1.4765  118.871   1.4768 0.1664734 2.088290 
1 1 1   24    3   -1 o   34.383   0.8195  158.849   7.5683  162.429   11.563  156.166   10.010   34.756   1.2387   34.084   1.0934 0.6718750 1.652280 
1 1 1   24    3    0 o   14.589   1.3761   28.881   5.3285   19.579   7.7490   37.226   7.3391   11.821   2.5177   16.546   1.6745 -4.724735 3.023696 
1 1 1   24    3    1 o   90.983   0.8761  1112.39   21.410  1108.89   30.210  1115.92   30.348   90.811   1.2385   91.098   1.2403 -0.2875290 1.752811 
1 1 1   24    3    2 o   62.031   0.8792  517.084   14.648  504.865   19.497  532.917   22.193   61.278   1.1846   62.949   1.3126 -1.671036 1.768134 
1 1 1   24    3    3 o   99.338   1.0661  1326.49   28.445  1302.76   42.034  1346.54   38.635   98.388   1.5906  100.047   1.4377 -1.658730 2.144095 
1 1 1   24    3    4 o   96.563   0.9482  1253.19   24.593  1271.74   36.761  1238.16   33.087   97.231   1.4076   95.953   1.2838 1.278625 1.905161 
1 1 1   24    3    5 o   48.127   0.7632  311.218   9.8657  305.300   14.517  316.297   13.449   47.653   1.1342   48.509   1.0322 -0.8551750 1.533570 
1 1 1   24    3    6 f   50.894   0.7636  348.031   10.439  346.887   15.414  349.000   14.187   50.795   1.1298   50.954   1.0366 -0.1589317 1.533289 
1 1 1   24    3    7 o  113.525   1.1096  1732.66   33.834  1807.17   54.573  1686.15   43.121  115.846   1.7539  111.950   1.4341 3.895935 2.265563 
1 1 1   24    3    8 o   32.281   0.9229  140.054   8.0017  148.679   12.735  134.428   10.286   33.243   1.4263   31.617   1.2112 1.625284 1.871169 
1 1 1   24    3    9 o   72.969   0.8640  715.549   16.934  728.551   26.662  706.756   21.925   73.593   1.3488   72.502   1.1259 1.090767 1.756978 
1 1 1   24    3   10 o   41.843   0.8536  235.285   9.5933  229.260   16.208  238.534   11.902   41.276   1.4620   42.123   1.0520 -0.8469276 1.801118 
1 1 1   24    3   11 o   32.548   0.8307  142.367   7.2624  145.592   10.646  139.560   9.9322   32.903   1.2047   32.216   1.1478 0.6867218 1.663945 
1 1 1   24    3   12 o   69.586   0.8195  650.715   15.317  644.391   22.542  656.140   20.877   69.220   1.2124   69.856   1.1127 -0.6361618 1.645624 
1 1 1   24    3   13 o   55.953   0.8072  420.730   12.131  413.140   18.625  426.322   15.986   55.421   1.2512   56.311   1.0570 -0.8900414 1.637914 
1 1 1   24    3   14 o   22.030   1.0314   65.247   6.1027   68.118   8.7818   62.566   8.4868   22.449   1.4645   21.509   1.4780 0.9397945 2.080671 
1 1 1   24    3   15 o   41.606   0.7904  232.636   8.8323  239.751   12.872  226.307   12.141   42.222   1.1351   41.023   1.1019 1.199299 1.581942 
1 1 1   24    3   16 o   72.751   0.9274  711.497   18.122  695.269   26.645  725.463   24.719   71.874   1.3802   73.432   1.2533 -1.558067 1.864326 
1 1 1   24    3   17 o   59.151   0.7935  470.228   12.606  482.072   18.535  460.035   17.195   59.866   1.1527   58.486   1.0946 1.379772 1.589659 
1 1 1   24    3   18 o   90.879   0.8922  1110.26   21.777  1117.18   30.833  1103.36   30.761   91.116   1.2599   90.550   1.2648 0.5658875 1.785222 
1 1 1   24    3   19 o   30.124   0.8838  121.996   7.1509  126.140   9.9811  117.626   10.250   30.617   1.2137   29.562   1.2909 1.055218 1.771890 
1 1 1   24    3   20 o   18.672   1.2234   47.123   6.1016   49.885   8.5221   44.218   8.7399   19.163   1.6725   18.010   1.8322 1.152225 2.480824 
1 1 1   24    3   21 o   23.356   1.0160   73.373   6.3737   70.281   8.7655   76.843   9.2844   22.795   1.4391   23.837   1.4571 -1.042326 2.047961 
1 1 1   24    3   22 o   9.4055   2.2336   12.457   5.5586   10.754   7.6258   14.389   8.1195   8.9532   2.8315   10.145   2.8578 -1.191422 4.022995 
1 1 1   24    3   23 o   14.303   1.5226   27.899   5.7596   25.647   7.8094   30.584   8.5285   13.588   2.2161   14.869   2.2020 -1.281195 3.124122 
1 1 1   24    3   24 o   37.583   0.8206  189.939   8.2839  190.763   11.587  189.077   11.847   37.641   1.1461   37.472   1.1771 0.1693497 1.642931 
1 1 1   24    3   25 o   66.144   0.8406  588.418   14.934  592.026   20.098  583.970   22.314   66.308   1.1285   65.833   1.2620 0.4745178 1.692958 
1 1 1   24    3   26 o   19.211   1.2980   49.972   6.6582   45.822   8.6463   56.018   10.437   18.323   1.7793   20.248   1.9429 -1.925201 2.634510 
1 1 1   24    3   27 o   16.963   1.6098   39.221   7.2469   39.810   9.2299   38.276   11.702   17.012   2.0621   16.532   2.7307 0.4804192 3.421829 
1 1 1   24    3   28 f   55.328   0.7913  411.737   11.760  407.370   16.312  416.462   16.969   54.994   1.1043   55.599   1.1363 -0.6054611 1.584502 
1 1 1   24    3   29 o   8.8686   2.4963   11.024   6.1980   7.3511   7.9428   16.742   9.9109   7.9851   2.8859   10.914   3.1840 -2.928682 4.297228 
1 1 1   24    3   30 o   79.504   0.9120  850.737   19.475  830.809   25.831  876.980   29.644   78.498   1.2252   80.610   1.3692 -2.111923 1.837297 
1 1 1   24    3   31 o   26.579   1.2353   95.275   8.8187  101.689   11.900   87.461   13.134   27.370   1.6261   25.314   1.9466 2.055292 2.536436 
1 1 1   24    3   32 o   28.093   1.0815  106.350   8.1607  100.802   11.330  112.331   11.764   27.257   1.5540   28.783   1.5272 -1.526232 2.178805 
1 1 1   24    3   33 o   16.159   1.5332   35.631   6.5745   37.227   8.5462   33.317   10.290   16.436   1.9755   15.397   2.5796 1.039660 3.249108 
1 1 1   24    3   34 o   22.133   1.2039   66.296   7.1301   64.573   9.6813   68.340   10.540   21.765   1.6688   22.375   1.7683 -0.6095715 2.431427 
1 1 1   24    3   35 o   22.183   1.2033   66.621   7.1427   66.464   9.6152   66.815   10.669   22.083   1.6327   22.104   1.8131 -0.2118874E-01 2.439865 
1 1 1   24    3   36 o   14.484   1.8479   28.984   7.0250   31.237   9.7711   26.574   10.107   14.876   2.5365   13.617   2.8547 1.258871 3.818822 
1 1 1   24    3   37 o   23.535   1.3481   75.176   8.4862   82.861   11.692   66.620   12.337   24.620   1.7801   21.978   2.1161 2.642159 2.765246 
1 1 1   24    3   38 o   26.044   1.1401   91.593   7.9755   84.763   10.762   99.912   11.878   24.935   1.6156   27.074   1.6412 -2.138680 2.303031 
1 1 1   24    3   39 o   17.453   1.7357   41.833   8.0283   43.875   12.804   40.511   10.306   17.581   2.8058   17.027   2.3134 0.5545864 3.636524 
1 1 1   24    3   40 o   47.437   1.0477  303.672   13.350  284.599   21.539  315.569   17.011   45.725   1.7538   48.292   1.3115 -2.566673 2.189912 
1 1 1   24    3   41 o   28.510   1.0899  109.733   8.3455  110.239   11.622  109.194   11.991   28.464   1.5257   28.314   1.5831 0.1497536 2.198657 
1 1 1   24    3   42 o   19.102   1.4442   49.747   7.3546   47.547   10.118   52.212   10.710   18.526   2.0686   19.418   2.0861 -0.8927059 2.937850 
1 1 1   24    3   43 f   9.9188   2.6698   14.142   7.2697   15.526   10.311   12.774   10.251   10.480   3.2895   9.7474   3.2950 0.7321100 4.655991 
1 1 1   24    3   44 o   30.892   1.4315  129.577   11.877  155.930   16.821  103.371   16.773   33.712   1.8649   27.264   2.3123 6.447184 2.970630 
1 1 1   24    3   45 o   34.532   1.1363  161.395   10.539  155.182   14.705  167.957   15.113   33.725   1.6234   35.092   1.6034 -1.367462 2.281755 
1 1 1   24    3   46 o   11.084   2.9774   18.122   9.0523   25.191   11.490   6.5579   14.697   12.973   3.2922   9.1772   3.7536 3.795633 4.992784 
1 1 1   24    3   47 o   28.869   1.3121  113.466   10.174  122.253   14.329  104.532   14.448   29.737   1.8025   27.410   1.9758 2.327291 2.674489 
1 1 1   24    3   48 o   15.076   2.2784   32.576   8.9380   24.728   12.526   40.717   12.758   12.643   3.5453   16.556   2.9786 -3.912178 4.630461 
1 1 1   24    3   49 o   28.239   1.3687  109.189   10.381   96.725   14.738  121.465   14.626   26.160   2.1156   29.497   1.8555 -3.337177 2.814062 
1 1 1   24    3   50 o   26.667   1.5639   98.575   11.153  106.581   14.914   88.417   16.799   27.440   2.0381   24.604   2.5805 2.835711 3.288252 
1 1 1   24    4  -46 o   17.937   5.8627   57.140   32.511   0.0000   0.0000   57.140   32.511  ?   ?    17.937   5.8627 0.000000 5.862664 
1 1 1   24    4  -45 o   8.8333   3.6782   4.7157   14.455   6.2480   29.262   4.2210   16.626   11.654   5.0536   9.2365   3.9015 2.418012 6.384362 
1 1 1   24    4  -44 o   56.567   1.5121  435.699   22.973  453.916   32.690  417.923   32.292   57.357   2.1220   54.991   2.1863 2.366135 3.046746 
1 1 1   24    4  -43 o   11.462   3.5025   19.062   11.778   30.415   15.491   3.5059   18.134   14.222   3.9264   9.5765   4.0614 4.645531 5.649034 
1 1 1   24    4  -42 o   30.370   1.3200  124.950   10.768  119.660   15.096  130.428   15.363   29.522   1.9141   30.844   1.8632 -1.322025 2.671202 
1 1 1   24    4  -41 f   24.937   1.6154   84.883   10.762   92.346   14.551   75.872   15.990   25.871   2.1125   23.269   2.6031 2.601971 3.352411 
1 1 1   24    4  -40 o   25.605   1.4960   89.240   10.243   98.767   14.518   79.796   14.455   26.795   2.0325   23.996   2.2697 2.799036 3.046734 
1 1 1   24    4  -39 o   8.5175   3.0899   8.6467   9.1179   5.0317   12.514   12.737   13.312   8.5576   3.4777   10.217   3.7293 -1.659182 5.099240 
1 1 1   24    4  -38 o   18.844   2.4502   49.710   12.108   24.509   17.934   70.818   16.413   13.123   4.3575   22.426   2.7849 -9.303006 5.171403 
1 1 1   24    4  -37 o   41.575   1.1154  233.382   12.456  251.167   17.779  216.238   17.456   43.026   1.5384   39.897   1.6289 3.128323 2.240573 
1 1 1   24    4  -36 o   22.129   1.5902   66.787   9.3882   77.724   13.329   56.018   13.225   23.749   2.1117   20.017   2.5155 3.731976 3.284329 
1 1 1   24    4  -35 o   25.449   2.0371   88.942   13.807   94.325   19.102   83.053   19.981   25.973   2.7815   24.221   3.1457 1.752529 4.199035 
1 1 1   24    4  -34 o   6.1194   2.6564  -0.9683   8.1034  -1.0501   11.350  -0.8833   11.573   7.2506   3.1457   7.3473   3.1820 -0.9674549E-01 4.474421 
1 1 1   24    4  -33 o   22.577   1.4867   69.264   8.9646   71.582   12.521   66.826   12.841   22.831   2.0640   22.020   2.2006 0.8112183 3.017115 
1 1 1   24    4  -32 o   35.418   1.1316  169.162   10.765  179.372   15.431  159.482   15.025   36.401   1.5783   34.314   1.6302 2.086636 2.269048 
1 1 1   24    4  -31 o   47.174   1.0283  299.824   13.029  303.440   18.328  296.130   18.526   47.385   1.4401   46.804   1.4737 0.5811729 2.060477 
1 1 1   24    4  -30 o   39.885   1.0684  214.345   11.445  215.516   16.006  213.120   16.372   39.932   1.4923   39.702   1.5353 0.2299919 2.141095 
1 1 1   24    4  -29 o   37.505   1.0736  189.502   10.815  177.512   15.052  202.295   15.548   36.237   1.5465   38.693   1.4961 -2.455166 2.151738 
1 1 1   24    4  -28 o   8.9075   2.8145   10.751   7.5360   6.8334   10.572   14.798   10.745   8.5095   3.2772   10.453   3.3669 -1.943310 4.698546 
1 1 1   24    4  -27 o   32.198   1.5993  140.137   13.831  152.337   19.591  128.013   19.530   33.406   2.1957   30.561   2.3985 2.844902 3.251797 
1 1 1   24    4  -26 o   16.417   1.8051   36.913   7.8281   36.190   11.087   37.633   11.055   16.075   2.6608   16.415   2.5935 -0.3399696 3.715655 
1 1 1   24    4  -25 o   25.877   1.2664   90.262   8.8021   94.041   12.445   86.480   12.452   26.308   1.7715   25.209   1.8519 1.098642 2.562748 
1 1 1   24    4  -24 o   63.476   0.9909  542.283   16.894  523.310   23.549  562.403   24.250   62.288   1.4076   64.574   1.3982 -2.286556 1.983966 
1 1 1   24    4  -23 o  101.094   1.3620  1377.79   36.983  1374.39   45.338  1384.55   63.937  100.871   1.6734  100.957   2.3579 -0.8573151E-01 2.891353 
1 1 1   24    4  -22 o   27.983   1.6717  106.103   12.507  109.172   17.687  103.033   17.689   28.266   2.3510   27.439   2.4252 0.8270664 3.377677 
1 1 1   24    4  -21 o   81.952   1.2181  904.373   26.811  914.854   46.506  899.156   32.814   82.207   2.1062   81.660   1.4961 0.5471649 2.583488 
1 1 1   24    4  -20 o   25.385   1.2565   86.772   8.5668   79.901   12.254   93.340   11.981   24.246   1.8968   26.244   1.7090 -1.998415 2.553176 
1 1 1   24    4  -19 o  106.162   1.2071  1517.02   34.419  1499.64   48.308  1534.95   49.052  105.432   1.7059  106.664   1.7122 -1.232376 2.416937 
1 1 1   24    4  -18 o   84.127   1.0588  952.014   23.925  962.777   34.112  941.593   33.566   84.530   1.5024   83.597   1.4949 0.9337769 2.119462 
1 1 1   24    4  -17 o   18.130   1.5206   44.594   7.3363   51.855   10.529   37.743   10.228   19.489   2.0417   16.536   2.3706 2.953241 3.128656 
1 1 1   24    4  -16 o   54.555   0.9394  400.161   13.766  389.323   19.289  411.409   19.651   53.779   1.3354   55.285   1.3234 -1.505508 1.880065 
1 1 1   24    4  -15 f   25.337   1.1840   86.367   8.0579   95.114   11.577   78.148   11.222   26.519   1.6333   24.013   1.7521 2.505297 2.395285 
1 1 1   24    4  -14 o   62.528   0.9483  525.635   15.927  509.215   22.302  542.725   22.752   61.510   1.3499   63.503   1.3339 -1.993279 1.897793 
1 1 1   24    4  -13 o   47.155   0.8388  298.859   10.623  312.424   12.613  265.749   19.705   48.206   0.9741   44.414   1.6519 3.792034 1.917698 
1 1 1   24    4  -12 o   46.949   0.7209  296.186   9.0905  285.020   13.444  305.591   12.338   46.038   1.0873   47.678   0.9635 -1.639221 1.452739 
1 1 1   24    4  -11 o   83.977   0.9058  947.904   20.432  933.443   31.906  957.956   26.601   83.279   1.4264   84.395   1.1735 -1.116287 1.847102 
1 1 1   24    4  -10 o   78.827   0.9270  835.233   19.627  847.537   30.048  826.076   25.921   79.359   1.4097   78.367   1.2315 0.9918594 1.871832 
1 1 1   24    4   -9 o   50.915   0.7110  348.318   9.7228  345.395   13.803  351.197   13.698   50.687   1.0139   51.112   0.9978 -0.4248619 1.422502 
1 1 1   24    4   -8 o   61.094   0.7358  501.530   12.074  507.651   17.121  495.475   17.030   61.449   1.0373   60.707   1.0444 0.7418709 1.472024 
1 1 1   24    4   -7 o   22.456   0.9608   67.786   5.7953   67.137   7.6680   68.651   8.8501   22.304   1.2855   22.538   1.4700 -0.2341385 1.952795 
1 1 1   24    4   -6 o   65.737   0.8752  580.774   15.454  586.091   20.941  574.415   22.900   66.017   1.1810   65.346   1.3047 0.6706848 1.759848 
1 1 1   24    4   -5 o   30.162   0.8634  122.259   6.9945  131.443   9.1599  109.414   10.833   31.267   1.0907   28.516   1.4143 2.751162 1.786052 
1 1 1   24    4   -4 o  105.586   1.0510  1498.75   29.804  1486.14   38.244  1518.26   47.564  105.104   1.3547  106.186   1.6677 -1.081764 2.148611 
1 1 1   24    4   -3 o   18.712   1.1729   47.266   5.8648   53.905   7.7179   38.195   9.0223   19.963   1.4493   16.707   2.0539 3.255693 2.513741 
1 1 1   24    4   -2 o   68.935   0.8036  638.557   14.878  647.923   20.313  627.716   21.853   69.421   1.0894   68.322   1.1909 1.098534 1.614004 
1 1 1   24    4   -1 o   66.349   0.7921  591.541   14.117  587.948   19.196  595.772   20.832   66.130   1.0808   66.563   1.1652 -0.4326630 1.589246 
1 1 1   24    4    0 o   49.148   0.7343  324.560   9.6927  322.303   13.749  326.789   13.666   48.964   1.0455   49.304   1.0320 -0.3402214 1.468999 
1 1 1   24    4    1 o   87.283   0.9911  1024.04   23.234  1023.49   34.947  1024.47   31.103   87.209   1.4920   87.269   1.3269 -0.6062317E-01 1.996671 
1 1 1   24    4    2 o   58.553   0.8282  460.726   13.024  482.131   18.620  440.220   18.225   59.879   1.1577   57.216   1.1859 2.663559 1.657341 
1 1 1   24    4    3 o   63.782   0.7904  546.652   13.540  538.451   18.177  556.874   20.294   63.286   1.0693   64.352   1.1741 -1.066460 1.588079 
1 1 1   24    4    4 o   95.060   0.9398  1214.58   23.996  1243.92   35.859  1190.79   32.293   96.154   1.3885   94.091   1.2778 2.062347 1.886962 
1 1 1   24    4    5 o   15.066   1.3145   30.766   5.2660   30.591   7.6326   30.925   7.2749   14.940   1.9484   15.039   1.8393 -0.9876060E-01 2.679421 
1 1 1   24    4    6 o   39.131   0.7598  205.749   7.9860  204.084   11.431  207.336   11.162   38.960   1.0924   39.271   1.0582 -0.3106155 1.520881 
1 1 1   24    4    7 o   45.314   0.7929  275.923   9.6500  264.944   13.587  287.100   13.708   44.388   1.1396   46.209   1.1045 -1.820522 1.587024 
1 1 1   24    4    8 o   67.578   0.7720  613.675   14.012  607.183   19.690  620.335   19.944   67.200   1.0909   67.924   1.0932 -0.7237625 1.544412 
1 1 1   24    4    9 o   32.377   0.8045  140.876   6.9963  133.481   9.7180  148.833   10.080   31.505   1.1484   33.269   1.1281 -1.763235 1.609815 
1 1 1   24    4   10 o   67.464   0.7733  611.616   14.013  624.623   19.946  598.940   19.690   68.156   1.0896   66.740   1.0984 1.416573 1.547181 
1 1 1   24    4   11 o   96.577   0.9144  1253.73   23.720  1239.98   33.314  1267.86   33.781   96.003   1.2920   97.076   1.2956 -1.072899 1.829695 
1 1 1   24    4   12 o  118.214   1.0458  1879.00   33.204  1889.76   47.058  1868.33   46.858  118.480   1.4788  117.806   1.4809 0.6740952 2.092789 
1 1 1   24    4   13 o   19.823   1.1249   53.017   5.9648   49.761   8.4169   56.302   8.4542   19.149   1.6527   20.388   1.5556 -1.239502 2.269656 
1 1 1   24    4   14 o   65.699   0.7796  580.090   13.757  582.031   19.358  578.110   19.554   65.785   1.0956   65.562   1.1104 0.2232208 1.559910 
1 1 1   24    4   15 f   55.469   0.8366  413.569   12.464  408.184   17.409  419.233   17.853   55.083   1.1767   55.823   1.1907 -0.7393341 1.673999 
1 1 1   24    4   16 o   47.109   0.7588  298.267   9.6012  304.887   13.507  291.507   13.651   47.612   1.0562   46.554   1.0917 1.058769 1.519003 
1 1 1   24    4   17 o   29.078   0.8826  113.671   6.8933  112.420   9.6250  114.988   9.8771   28.902   1.2399   29.229   1.2581 -0.3272572 1.766388 
1 1 1   24    4   18 o   18.869   1.1932   48.103   6.0159   48.236   8.2815   47.953   8.7535   18.843   1.6530   18.773   1.7565 0.7000923E-01 2.411986 
1 1 1   24    4   19 o   57.962   0.7996  451.638   12.449  457.621   18.156  446.330   17.102   58.313   1.1592   57.594   1.1056 0.7184219 1.601897 
1 1 1   24    4   20 o   49.385   0.8665  327.951   11.493  333.507   15.358  320.880   17.327   49.778   1.1487   48.809   1.3217 0.9688911 1.751111 
1 1 1   24    4   21 o   19.153   1.2632   49.619   6.4616   56.155   8.3738   39.998   10.159   20.347   1.5438   17.031   2.2779 3.315485 2.751710 
1 1 1   24    4   22 o   37.218   0.8556  186.287   8.5529  189.869   11.351  181.581   13.009   37.555   1.1253   36.709   1.3194 0.8456268 1.734125 
1 1 1   24    4   23 o   29.361   0.9750  115.999   7.6891  126.327   10.095  101.731   11.866   30.622   1.2274   27.401   1.6195 3.221008 2.032043 
1 1 1   24    4   24 o   39.997   0.8603  215.190   9.2422  221.709   12.187  206.365   14.179   40.575   1.1182   39.122   1.3494 1.453770 1.752521 
1 1 1   24    4   25 o   38.237   0.8730  196.697   8.9655  193.645   11.704  201.031   13.947   37.914   1.1493   38.609   1.3450 -0.6944733 1.769132 
1 1 1   24    4   26 o   52.296   0.8324  367.908   11.692  362.413   15.363  375.475   18.026   51.871   1.1027   52.772   1.2718 -0.9006081 1.683244 
1 1 1   24    4   27 o   26.162   1.1181   92.209   7.8567  109.646   10.819   72.752   11.428   28.501   1.4133   23.101   1.8576 5.400175 2.334083 
1 1 1   24    4   28 o   45.072   0.8129  273.299   9.8411  265.731   13.600  281.615   14.258   44.406   1.1403   45.711   1.1613 -1.305023 1.627519 
1 1 1   24    4   29 o   45.794   0.8424  282.178   10.361  270.608   13.975  296.300   15.439   44.806   1.1612   46.875   1.2263 -2.068699 1.688869 
1 1 1   24    4   30 o   12.076   2.0779   20.371   6.4969   17.796   8.7784   23.490   9.6608   11.171   2.9002   12.830   2.8747 -1.659895 4.083500 
1 1 1   24    4   31 o   16.776   1.5033   38.352   6.7017   39.248   8.7453   37.079   10.431   16.887   1.9649   16.295   2.4599 0.5915470 3.148323 
1 1 1   24    4   32 o   29.154   1.0261  114.529   8.0350  119.247   10.572  108.077   12.363   29.715   1.3246   28.200   1.6394 1.514317 2.107641 
1 1 1   24    4   33 o   25.319   1.1136   86.459   7.5728   87.293   9.8601   85.258   11.825   25.362   1.4535   25.001   1.7725 0.3616314 2.292205 
1 1 1   24    4   34 o   36.053   0.9413  175.128   9.1146  179.582   11.939  168.907   14.111   36.468   1.2189   35.320   1.4875 1.147652 1.923108 
1 1 1   24    4   35 o   24.101   1.1215   78.397   7.2601   90.939   10.027   64.578   10.525   25.875   1.4486   21.713   1.8216 4.162376 2.327410 
1 1 1   24    4   36 o   10.161   2.6618   14.794   7.3515   26.670   9.7921  -0.5466   11.129   13.647   2.7661   7.2405   3.1281 6.406897 4.175647 
1 1 1   24    4   37 o   10.867   2.5413   16.931   7.2850   20.505   10.438   13.537   10.172   11.889   3.1987   9.9656   3.2804 1.923110 4.581778 
1 1 1   24    4   38 o   28.175   1.2323  107.330   9.3253  108.061   13.065  106.572   13.314   28.126   1.7380   27.918   1.7849 0.2078590 2.491305 
1 1 1   24    4   39 o   47.252   1.0061  301.222   12.769  326.255   19.841  283.526   16.683   49.037   1.5065   45.757   1.3574 3.279896 2.027803 
1 1 1   24    4   40 o   26.223   1.2392   92.999   8.7282  108.335   12.652   79.074   12.056   28.173   1.6797   24.001   1.8854 4.172377 2.525100 
1 1 1   24    4   41 f   15.375   1.9306   32.783   7.7969   37.506   11.260   28.432   10.807   16.248   2.6730   14.021   2.9626 2.227516 3.990253 
1 1 1   24    4   42 o   33.823   1.0472  154.475   9.5135  150.117   12.350  160.835   14.920   33.275   1.3818   34.383   1.6156 -1.107780 2.125915 
1 1 1   24    4   43 o   23.575   1.2560   75.487   7.9244   75.180   10.912   75.830   11.527   23.404   1.7485   23.478   1.8427 -0.7380867E-01 2.540268 
1 1 1   24    4   44 o   7.0370   2.8667   3.2202   8.5293   9.4774   10.793  -7.1863   13.919   8.9812   3.3440   7.1554   3.2647 1.825813 4.673377 
1 1 1   24    4   45 o   20.132   1.7703   56.015   9.4750   62.476   13.954   50.488   12.906   20.976   2.5277   18.787   2.6297 2.189308 3.647561 
1 1 1   24    4   46 o   28.474   1.4864  111.091   11.328   98.912   16.940  120.944   15.236   26.436   2.4123   29.514   1.9327 -3.077984 3.091000 
1 1 1   24    4   47 o   16.152   2.1626   37.084   9.1465   34.223   12.790   40.080   13.085   15.010   3.2653   16.367   3.0899 -1.357213 4.495496 
1 1 1   24    4   48 o   11.575   2.8746   20.239   8.8964   31.326   12.815   9.9258   12.360   14.194   3.4051   9.1273   3.5355 5.066722 4.908653 
1 1 1   24    4   49 o   8.5037   3.1438   9.4797   9.5064   14.667   14.744   5.7884   12.437   10.260   3.8896   8.3060   3.4312 1.954187 5.186717 
1 1 1   24    4   50 o   16.821   3.5574   45.467   15.570   21.060   30.858   53.803   18.035   12.210   5.2414   18.111   3.8272 -5.901018 6.489926 
1 1 1   24    5  -45 o   19.434   5.4851   65.450   29.881   0.0000   0.0000   65.450   29.881  ?   ?    19.434   5.4851 0.000000 5.485063 
1 1 1   24    5  -44 o   44.371   1.8513  270.793   22.063  233.600   42.293  284.700   25.861   39.346   4.0604   45.327   2.1242 -5.981651 4.582433 
1 1 1   24    5  -43 f   28.896   1.8962  115.084   14.635  136.624   20.972   94.637   20.433   31.197   2.5245   25.686   3.0194 5.510605 3.935715 
1 1 1   24    5  -42 o   16.852   2.8128   40.735   12.283   57.121   16.619   21.010   18.234   19.845   3.2290   12.350   4.3828 7.494761 5.443845 
1 1 1   24    5  -41 o   27.577   1.4248  103.462   10.517  120.750   14.645   85.049   15.113   29.673   1.8467   24.734   2.3014 4.939119 2.950708 
1 1 1   24    5  -40 o   18.659   2.0575   48.253   10.140   46.414   13.939   50.320   14.778   17.996   2.9887   18.734   3.0411 -0.7378635 4.263890 
1 1 1   24    5  -39 o   40.835   1.1459  225.321   12.568  238.964   17.639  211.251   17.913   41.942   1.5658   39.397   1.6929 2.544838 2.305951 
1 1 1   24    5  -38 f   13.547   2.6411   26.246   9.2648   26.379   12.234   26.068   14.187   13.407   3.3941   13.299   3.7885 0.1078386 5.086497 
1 1 1   24    5  -37 o   9.7744   3.4625   12.148   11.376   6.9995   17.642   15.813   14.884   10.030   4.1085   11.073   3.9565 -1.043221 5.703864 
1 1 1   24    5  -36 o   38.274   1.1479  197.888   11.801  195.548   16.549  200.309   16.832   37.935   1.6242   38.392   1.6323 -0.4567299 2.302704 
1 1 1   24    5  -35 o   12.233   2.7109   21.498   8.6732   17.823   11.836   25.758   12.745   11.226   3.5246   13.262   3.5197 -2.035328 4.981093 
1 1 1   24    5  -34 o   18.567   2.6295   48.464   12.747   56.389   18.292   40.983   17.773   19.714   3.5866   16.615   4.0251 3.099445 5.391207 
1 1 1   24    5  -33 o   23.986   1.4790   78.205   9.4821   77.062   13.297   79.387   13.525   23.663   2.1145   24.018   2.1182 -0.3557835 2.992988 
1 1 1   24    5  -32 o   37.981   1.1064  194.579   11.286  202.839   16.115  186.627   15.812   38.697   1.5504   37.111   1.5863 1.586044 2.218173 
1 1 1   24    5  -31 o   34.559   1.1437  161.099   10.616  161.483   14.987  160.712   15.039   34.525   1.6161   34.441   1.6258 0.8422089E-01 2.292398 
1 1 1   24    5  -30 o   42.856   1.0384  247.501   11.953  243.854   16.765  251.272   17.047   42.467   1.4698   43.107   1.4723 -0.6405754 2.080418 
1 1 1   24    5  -29 o   28.744   1.2296  111.463   9.4926  123.642   13.441   99.344   13.408   30.172   1.6650   26.995   1.8606 3.176394 2.496814 
1 1 1   24    5  -28 o   46.205   1.0197  287.571   12.655  287.012   18.018  288.116   17.780   46.089   1.4555   46.182   1.4334 -0.9279251E-01 2.042788 
1 1 1   24    5  -27 o   54.460   0.9991  399.408   14.614  401.641   20.850  397.252   20.489   54.535   1.4234   54.240   1.4064 0.2951584 2.001014 
1 1 1   24    5  -26 o   7.8827   3.2116   3.5694   10.707   15.583   14.579 -10.4972   15.775   11.142   3.9227   7.5040   3.4431 3.637957 5.219460 
1 1 1   24    5  -25 o   21.783   1.6585   64.538   9.6306   65.942   11.693   61.579   16.982   21.957   2.0048   20.943   3.1137 1.013987 3.703264 
1 1 1   24    5  -24 o   31.403   1.1258  132.851   9.4960  133.850   13.580  131.895   13.284   31.429   1.6141   31.202   1.5904 0.2268543 2.265983 
1 1 1   24    5  -23 o   63.842   0.9936  548.632   17.038  544.267   24.169  552.943   24.023   63.512   1.4168   64.020   1.3971 -0.5083809 1.989781 
1 1 1   24    5  -22 o   33.443   1.2412  150.713   11.149  152.256   13.637  147.603   19.363   33.586   1.5117   32.904   2.2038 0.6820984 2.672421 
1 1 1   24    5  -21 o   26.058   1.4516   91.875   10.119   90.742   12.293   94.257   17.822   25.848   1.7816   26.192   2.5663 -0.3441353 3.124092 
1 1 1   24    5  -20 o   22.826   1.5439   70.617   9.4096   84.043   16.210   63.794   11.556   24.748   2.4717   21.617   2.0134 3.131048 3.187968 
1 1 1   24    5  -19 o   61.294   1.1148  505.712   18.353  474.944   31.056  522.223   22.750   59.260   1.9512   62.252   1.3606 -2.991821 2.378725 
1 1 1   24    5  -18 o   30.921   1.0835  128.661   8.9988  128.386   12.842  128.927   12.614   30.815   1.5566   30.922   1.5187 -0.1068134 2.174754 
1 1 1   24    5  -17 o   21.273   1.4249   61.248   8.0948   68.413   11.430   54.037   11.466   22.423   1.9162   19.865   2.1851 2.557789 2.906267 
1 1 1   24    5  -16 o   48.924   1.0382  321.977   13.643  328.205   17.722  312.914   21.377   49.368   1.3365   48.169   1.6523 1.198563 2.125131 
1 1 1   24    5  -15 o   52.122   1.0115  365.390   14.161  377.147   22.130  357.239   18.427   52.900   1.5575   51.510   1.3319 1.390751 2.049360 
1 1 1   24    5  -14 o   29.774   0.9557  119.206   7.6430  123.264   9.9414  113.341   11.952   30.265   1.2230   28.963   1.5420 1.302031 1.968080 
1 1 1   24    5  -13 o   62.826   0.8079  530.546   13.632  533.395   17.768  526.468   21.255   62.976   1.0505   62.545   1.2652 0.4309654 1.644472 
1 1 1   24    5  -12 o   65.066   0.8898  569.130   15.551  572.394   20.696  564.897   23.567   65.227   1.1813   64.780   1.3545 0.4467545 1.797260 
1 1 1   24    5  -11 o   34.294   0.8174  158.075   7.5291  153.190   12.360  160.956   9.4936   33.735   1.3641   34.597   1.0216 -0.8620338 1.704289 
1 1 1   24    5  -10 o   56.815   0.8390  433.863   12.804  434.969   18.798  432.906   17.486   56.859   1.2309   56.731   1.1476 0.1282043 1.682888 
1 1 1   24    5   -9 o   15.820   1.1436   33.835   4.8265   39.916   7.2636   29.028   6.4585   17.141   1.5960   14.582   1.6797 2.558829 2.317024 
1 1 1   24    5   -8 o   68.963   0.7671  639.121   14.209  635.592   20.105  642.641   20.082   68.749   1.0888   69.129   1.0816 -0.3807755 1.534717 
1 1 1   24    5   -7 o   64.796   0.7871  564.234   13.698  559.265   20.435  568.287   18.459   64.482   1.1799   65.010   1.0571 -0.5280228 1.584220 
1 1 1   24    5   -6 o   21.353   0.9990   61.297   5.7291   63.426   7.9425   58.987   8.2721   21.667   1.3719   20.880   1.4847 0.7863331 2.021458 
1 1 1   24    5   -5 o   13.227   1.4182   23.816   4.9598   33.608   7.1324   14.647   6.9017   15.701   1.7194   10.208   2.5299 5.492941 3.058898 
1 1 1   24    5   -4 o   62.630   0.7869  527.131   13.237  527.938   19.840  526.484   17.770   62.652   1.1790   62.575   1.0573 0.7718658E-01 1.583627 
1 1 1   24    5   -3 o   76.692   0.8842  790.531   18.214  789.276   23.495  792.421   28.835   76.609   1.1418   76.735   1.3990 -0.1258011 1.805845 
1 1 1   24    5   -2 o   35.598   0.9364  170.341   8.9536  163.431   10.414  189.930   17.533   34.862   1.1122   37.547   1.7386 -2.684753 2.063854 
1 1 1   24    5   -1 o   21.204   1.2187   60.675   6.9118   65.354   8.1082   48.236   13.220   21.995   1.3795   18.690   2.7129 3.305126 3.043443 
1 1 1   24    5    0 o   58.429   0.9150  458.878   14.360  452.375   18.352  469.145   23.060   57.996   1.1781   59.039   1.4542 -1.042629 1.871552 
1 1 1   24    5    1 o   57.127   0.8778  438.635   13.469  439.095   17.994  438.051   20.312   57.139   1.1725   57.060   1.3253 0.7942581E-01 1.769501 
1 1 1   24    5    2 o   37.309   0.8844  187.085   8.8623  193.342   11.857  179.164   13.340   37.916   1.1643   36.490   1.3611 1.426216 1.791167 
1 1 1   24    5    3 o   67.557   0.8115  613.346   14.725  604.627   19.771  624.207   22.066   67.055   1.0977   68.124   1.2060 -1.068069 1.630747 
1 1 1   24    5    4 o   66.094   0.8070  587.064   14.326  585.651   19.298  588.798   21.381   65.995   1.0887   66.163   1.2032 -0.1677628 1.622596 
1 1 1   24    5    5 o  133.115   1.2514  2383.70   44.742  2384.79   63.178  2382.61   63.372  133.033   1.7681  132.970   1.7744 0.6233215E-01 2.504953 
1 1 1   24    5    6 o   33.190   0.9252  148.075   8.2475  142.622   11.053  154.925   12.389   32.560   1.2639   33.930   1.3594 -1.370735 1.856136 
1 1 1   24    5    7 o   59.393   0.7558  474.030   12.056  469.568   16.958  478.590   17.143   59.094   1.0684   59.659   1.0698 -0.5649414 1.511985 
1 1 1   24    5    8 o   51.687   0.7433  359.009   10.319  361.633   14.569  356.367   14.618   51.860   1.0459   51.480   1.0572 0.3796272 1.487172 
1 1 1   24    5    9 o   45.495   0.7870  278.163   9.6164  278.580   12.909  277.642   14.415   45.516   1.0559   45.432   1.1813 0.8407974E-01 1.584440 
1 1 1   24    5   10 o   48.611   0.7816  317.577   10.205  319.550   13.677  315.099   15.328   48.748   1.0446   48.398   1.1791 0.3493843 1.575281 
1 1 1   24    5   11 o   14.077   1.5523   27.014   5.7718   18.698   7.5342   38.826   8.9798   11.535   2.5036   16.841   2.0258 -5.305813 3.220571 
1 1 1   24    5   12 o   72.173   0.8397  700.172   16.278  704.764   21.966  694.578   24.244   72.383   1.1299   71.844   1.2564 0.5388641 1.689704 
1 1 1   24    5   13 o   47.284   0.8220  300.525   10.439  299.411   13.462  302.207   16.535   47.182   1.0623   47.384   1.2992 -0.2021790 1.678188 
1 1 1   24    5   14 o   87.740   1.0134  1035.32   23.882  1038.11   31.890  1031.77   36.038   87.809   1.3521   87.509   1.5333 0.2999649 2.044316 
1 1 1   24    5   15 o   12.670   1.7701   22.070   5.8592   24.908   7.5631   17.808   9.2661   13.405   2.1752   11.248   3.0085 2.156977 3.712513 
1 1 1   24    5   16 o   71.525   0.8423  687.779   16.181  675.864   21.562  703.141   24.484   70.871   1.1327   72.270   1.2613 -1.398941 1.695281 
1 1 1   24    5   17 o   70.272   0.8880  664.018   16.761  687.075   21.642  629.458   26.496   71.453   1.1277   68.346   1.4433 3.106712 1.831628 
1 1 1   24    5   18 o   71.814   0.8558  693.473   16.507  701.060   22.166  684.025   24.734   72.169   1.1435   71.265   1.2922 0.9045944 1.725488 
1 1 1   24    5   19 o   16.920   1.4910   38.900   6.7066   41.669   8.6912   34.826   10.544   17.458   1.8833   15.811   2.5713 1.646925 3.187248 
1 1 1   24    5   20 o   31.148   0.9465  130.525   7.9187  125.817   10.351  137.169   12.296   30.560   1.2611   31.894   1.4353 -1.334164 1.910613 
1 1 1   24    5   21 o   54.849   0.8272  404.602   12.186  409.505   16.123  398.069   18.611   55.152   1.0884   54.351   1.2749 0.8005981 1.676321 
1 1 1   24    5   22 o   27.673   0.9569  103.053   7.1126  109.943   9.7921   95.358   10.348   28.560   1.2765   26.545   1.4570 2.015621 1.937090 
1 1 1   24    5   23 o   37.138   0.8505  185.541   8.4838  179.771   11.594  192.190   12.447   36.527   1.1818   37.763   1.2271 -1.235806 1.703669 
1 1 1   24    5   24 o   48.617   0.7902  317.908   10.319  321.358   14.372  314.237   14.824   48.845   1.0955   48.295   1.1428 0.5504494 1.583063 
1 1 1   24    5   25 o   31.697   0.9084  135.215   7.7341  137.744   10.627  132.367   11.277   31.963   1.2379   31.322   1.3405 0.6407223 1.824586 
1 1 1   24    5   26 o   46.434   0.9018  290.191   11.248  287.097   15.433  293.696   16.427   46.141   1.2453   46.658   1.3108 -0.5168839 1.808021 
1 1 1   24    5   27 o   9.9534   2.3514   14.040   6.1862   19.779   8.2918   6.8361   9.2903   11.792   2.6789   8.1807   3.0908 3.611766 4.090182 
1 1 1   24    5   28 o   32.689   0.9044  143.842   7.9405  146.842   11.008  140.588   11.465   32.994   1.2422   32.274   1.3226 0.7198334 1.814481 
1 1 1   24    5   29 o   8.3673   2.5665   9.6142   6.3173   11.996   8.2418   6.2218   9.8363   9.3642   2.9413   8.1712   3.1571 1.192952 4.314944 
1 1 1   24    5   30 o   9.3852   2.4461   12.496   6.2289   17.139   8.1661   6.0347   9.6324   10.955   2.7728   8.0695   3.1224 2.885863 4.175869 
1 1 1   24    5   31 o   55.564   0.8132  415.544   12.136  413.662   16.815  417.591   17.533   55.381   1.1304   55.634   1.1733 -0.2531586 1.629274 
1 1 1   24    5   32 o   25.007   1.0931   84.342   7.3417   88.204   9.9367   79.699   10.895   25.490   1.4574   24.181   1.6881 1.309603 2.230169 
1 1 1   24    5   33 o   35.624   0.9075  170.969   8.6834  165.584   11.911  177.078   12.686   35.006   1.2668   36.194   1.3050 -1.187756 1.818731 
1 1 1   24    5   34 o   5.4489   2.4104  -2.0267   6.9598 -17.2865   9.3030   17.370   10.488   4.6183   2.2580   11.036   3.2903 -6.418209 3.990580 
1 1 1   24    5   35 o   28.265   1.3383  108.121   10.160  111.603   14.022  104.270   14.743   28.564   1.8374   27.557   2.0057 1.006643 2.720073 
1 1 1   24    5   36 o   34.524   0.9677  160.739   8.9729  158.577   12.423  163.097   12.974   34.223   1.3515   34.699   1.3921 -0.4756775 1.940244 
1 1 1   24    5   37 o   17.325   1.5688   41.089   7.2214   32.216   9.4710   53.410   11.161   15.115   2.4142   19.625   2.1527 -4.510272 3.234586 
1 1 1   24    5   38 f   37.315   1.0179  187.898   10.201  185.377   13.761  190.976   15.201   36.988   1.3851   37.511   1.5087 -0.5233765 2.048121 
1 1 1   24    5   39 o   7.8768   2.8732   7.2402   7.8995  -2.9349   10.164   22.766   12.555   6.5338   2.9005   12.477   3.5673 -5.942986 4.597647 
1 1 1   24    5   40 o   5.0203   2.3091  -5.0809   7.1544   8.1686   9.0468 -27.2022   11.690   8.3695   3.0714   4.7927   2.3783 3.576779 3.884613 
1 1 1   24    5   41 o   36.611   1.1195  181.163   11.008  186.715   15.471  175.470   15.667   37.058   1.5543   35.905   1.6246 1.153587 2.248376 
1 1 1   24    5   42 o   28.702   1.2595  111.610   9.7094  126.762   13.133   93.346   14.419   30.463   1.6108   25.975   2.0843 4.488279 2.634225 
1 1 1   24    5   43 f   20.331   1.6580   56.809   8.9749   53.981   12.192   60.155   13.260   19.586   2.3655   20.662   2.4362 -1.075901 3.395704 
1 1 1   24    5   44 o   27.616   1.2948  103.631   9.6038  107.358   13.109   99.312   14.110   27.920   1.7570   26.760   1.9772 1.159531 2.645019 
1 1 1   24    5   45 o   15.519   2.2112   34.203   8.9563   33.193   12.120   35.419   13.294   14.910   3.1262   15.323   3.3256 -0.4126034 4.564242 
1 1 1   24    5   46 o   10.788   2.9281   17.436   8.7014   3.1769   11.930   33.644   12.719   7.8706   3.3137   14.871   3.2730 -7.000734 4.657581 
1 1 1   24    5   47 o   9.9450   3.1725   14.746   9.5574   22.370   14.681   9.1389   12.591   11.939   3.9415   9.0102   3.5457 2.928749 5.301636 
1 1 1   24    5   48 o   11.513   3.3932   20.822   11.205 -16.8537   18.509   42.620   14.078   7.2455   3.4510   16.587   3.2762 -9.341942 4.758434 
1 1 1   24    5   49 o   10.450   3.7821   16.667   13.649   4.3790   24.252   22.364   16.513   9.9883   4.4544   11.689   4.1684 -1.700923 6.100567 
1 1 1   24    6  -44 o   18.134   4.0052   51.441   18.987   0.0000   0.0000   51.441   18.987  ?   ?    18.134   4.0052 0.000000 4.005177 
1 1 1   24    6  -43 o   28.724   2.7250  117.600   20.772   0.0000   0.0000  117.600   20.772  ?   ?    28.724   2.7250 0.000000 2.725025 
1 1 1   24    6  -42 o   15.112   3.3162   33.904   13.091   29.570   17.821   38.983   19.292   13.914   4.3177   15.817   4.3875 -1.903014 6.155700 
1 1 1   24    6  -41 o   26.671   1.9248   98.032   13.696  116.133   19.033   78.597   19.722   28.806   2.4843   23.321   3.2357 5.484522 4.079459 
1 1 1   24    6  -40 o   11.098   2.9677   17.914   9.0177   27.920   12.346   6.4717   13.203   13.752   3.3690   8.9378   3.5931 4.814631 4.925534 
1 1 1   24    6  -39 o   34.647   1.3720  162.729   12.768  171.417   17.515  152.877   18.651   35.379   1.8496   33.314   2.0951 2.065315 2.794702 
1 1 1   24    6  -38 o   19.496   1.7971   52.263   9.3046   45.357   12.918   59.710   13.414   17.858   2.7840   20.650   2.4673 -2.792528 3.719986 
1 1 1   24    6  -37 o   49.985   1.1494  337.669   15.431  338.083   20.505  337.128   23.432   49.894   1.5301   49.737   1.7540 0.1574326 2.327590 
1 1 1   24    6  -36 o   19.730   2.3300   54.306   12.110   69.776   18.786   43.308   15.840   22.039   3.2730   17.175   3.5509 4.863579 4.829216 
1 1 1   24    6  -35 o   13.096   2.5927   24.515   8.7969   19.277   12.342   29.922   12.542   11.600   3.5922   14.297   3.3282 -2.697603 4.897012 
1 1 1   24    6  -34 o   22.083   1.5762   66.547   9.2879   68.613   12.925   64.340   13.356   22.265   2.1896   21.505   2.3506 0.7598972 3.212415 
1 1 1   24    6  -33 o   13.068   3.3945   24.942   12.022   28.318   17.663   22.029   16.409   13.903   4.2960   12.531   4.1684 1.371135 5.985933 
1 1 1   24    6  -32 o   20.765   1.6918   58.952   9.3538   63.625   12.837   53.663   13.657   21.433   2.2642   19.545   2.6715 1.888184 3.501916 
1 1 1   24    6  -31 o   19.994   1.6486   54.592   8.7741   61.472   12.144   47.078   12.691   21.102   2.1737   18.306   2.6590 2.796139 3.434470 
1 1 1   24    6  -30 o   34.118   1.1391  157.040   10.438  149.824   14.592  164.602   14.938   33.244   1.6342   34.853   1.5957 -1.608620 2.284099 
1 1 1   24    6  -29 o   6.4947   2.6769   1.9190   7.5470  -2.2687   10.595   6.2327   10.753   6.8246   2.9983   8.3971   3.2851 -1.572505 4.447682 
1 1 1   24    6  -28 o   52.478   1.0068  371.028   14.191  364.046   19.954  378.173   20.186   51.896   1.4315   52.896   1.4208 -0.9998856 2.016913 
1 1 1   24    6  -27 o   28.934   1.2407  112.954   9.6422  120.713   13.701  105.341   13.572   29.799   1.7191   27.808   1.8272 1.990976 2.508817 
1 1 1   24    6  -26 o   23.976   1.3597   77.859   8.7201   80.791   12.260   74.856   12.406   24.330   1.8909   23.392   1.9935 0.9375210 2.747660 
1 1 1   24    6  -25 o   58.920   1.1437  467.923   18.099  435.967   30.552  485.202   22.465   56.656   2.0077   59.944   1.3953 -3.287472 2.444931 
1 1 1   24    6  -24 o   36.428   1.2605  178.981   12.333  173.247   15.015  190.870   21.622   35.799   1.5616   37.402   2.1615 -1.603901 2.666625 
1 1 1   24    6  -23 o   12.002   2.6589   20.453   8.3458   6.6896   10.768   41.155   13.207   8.5298   3.3012   17.074   2.9887 -8.544230 4.453129 
1 1 1   24    6  -22 o   48.787   0.9835  320.421   12.888  317.358   18.263  323.460   18.189   48.492   1.4022   48.959   1.3832 -0.4671898 1.969615 
1 1 1   24    6  -21 o   19.632   1.5525   52.377   8.1193   52.551   11.229   52.187   11.754   19.554   2.1749   19.461   2.2926 0.9304237E-01 3.160104 
1 1 1   24    6  -20 o   21.285   1.6400   61.572   9.3036   56.224   11.157   73.776   16.855   20.258   2.0801   23.079   2.7746 -2.821222 3.467805 
1 1 1   24    6  -19 o   41.460   1.0112  231.357   11.260  222.672   15.813  240.293   16.039   40.627   1.4491   42.208   1.4148 -1.581360 2.025202 
1 1 1   24    6  -18 o   9.9033   3.2322   13.013   9.8833 -23.9200   26.028   19.235   10.683   9.1053   4.2613   11.674   3.2745 -2.568348 5.374087 
1 1 1   24    6  -17 o   38.213   1.2451  196.697   12.780  193.100   28.266  197.622   14.328   37.527   2.8251   38.288   1.3932 -0.7610207 3.149934 
1 1 1   24    6  -16 o   66.289   1.0418  591.311   18.549  569.891   24.784  618.589   27.968   65.022   1.4191   67.721   1.5376 -2.699379 2.092408 
1 1 1   24    6  -15 f   57.097   0.9548  438.501   14.642  469.046   21.241  410.845   20.211   59.006   1.3402   55.221   1.3627 3.785011 1.911322 
1 1 1   24    6  -14 o   50.706   0.8008  345.660   10.907  357.503   13.774  325.748   17.860   51.553   0.9947   49.176   1.3521 2.376812 1.678627 
1 1 1   24    6  -13 o   19.571   0.9038   51.502   4.7507   58.243   6.6019   44.263   6.8417   20.768   1.1884   18.071   1.4211 2.697735 1.852514 
1 1 1   24    6  -12 o   36.235   0.7152  176.467   6.9608  180.011   9.8673  172.956   9.8211   36.584   1.0042   35.859   1.0197 0.7249260 1.431148 
1 1 1   24    6  -11 o   53.258   0.8066  381.273   11.538  401.899   19.449  370.072   14.332   54.635   1.3253   52.455   1.0173 2.180534 1.670725 
1 1 1   24    6  -10 o   59.674   0.8035  478.653   12.878  476.207   18.235  481.086   18.188   59.494   1.1412   59.798   1.1324 -0.3048019 1.607690 
1 1 1   24    6   -9 o   37.595   0.8000  189.977   8.0786  195.825   12.875  186.179   10.375   38.145   1.2566   37.206   1.0382 0.9386368 1.630056 
1 1 1   24    6   -8 o   51.453   0.7935  355.826   10.966  344.402   17.453  363.279   14.096   50.586   1.2845   51.975   1.0098 -1.389530 1.633914 
1 1 1   24    6   -7 o   27.242   0.8665   99.758   6.3402   98.733   8.9612  100.786   8.9716   27.088   1.2317   27.368   1.2205 -0.2806091 1.733958 
1 1 1   24    6   -6 o   78.900   0.8149  836.721   17.268  829.786   24.355  843.731   24.488   78.539   1.1545   79.196   1.1512 -0.6576157 1.630417 
1 1 1   24    6   -5 o   14.954   1.3083   30.324   5.2020   40.319   7.5876   21.459   7.1458   17.218   1.6613   12.418   2.2242 4.800353 2.776114 
1 1 1   24    6   -4 o   37.276   0.7550  186.738   7.5594  185.145   10.748  188.296   10.634   37.103   1.0785   37.419   1.0581 -0.3153725 1.510860 
1 1 1   24    6   -3 o   18.028   1.1373   43.888   5.4787   43.381   7.8559   44.368   7.6446   17.867   1.6558   18.079   1.5905 -0.2117443 2.295952 
1 1 1   24    6   -2 f   13.348   1.5099   24.298   5.3178   32.339   7.5816   16.510   7.4610   15.373   1.8751   10.829   2.5984 4.543693 3.204296 
1 1 1   24    6   -1 o   59.984   0.8305  483.605   13.381  476.869   18.914  490.356   18.934   59.539   1.1827   60.376   1.1675 -0.8373489 1.661924 
1 1 1   24    6    0 o   51.038   0.9240  350.190   12.667  358.628   16.263  337.175   20.196   51.633   1.1727   50.039   1.5027 1.594810 1.906110 
1 1 1   24    6    1 o   94.479   0.9393  1200.05   23.836  1204.99   32.428  1194.23   35.156   94.631   1.2758   94.190   1.3896 0.4407883 1.886494 
1 1 1   24    6    2 f   43.257   0.7826  251.479   9.0930  247.617   12.448  255.897   13.314   42.909   1.0801   43.618   1.1365 -0.7082596 1.567874 
1 1 1   24    6    3 o   37.488   0.8170  188.888   8.2267  197.267   11.211  179.113   12.109   38.298   1.0899   36.486   1.2357 1.812267 1.647631 
1 1 1   24    6    4 o   40.292   0.7760  218.181   8.3984  220.056   11.905  216.323   11.850   40.450   1.0958   40.105   1.1001 0.3448372 1.552689 
1 1 1   24    6    5 o   19.496   1.3457   51.403   7.0034   47.669   8.6759   58.387   11.865   18.724   1.7452   20.679   2.1685 -1.954624 2.783588 
1 1 1   24    6    6 o   71.352   0.8340  684.319   15.983  679.741   21.480  689.999   23.925   71.087   1.1250   71.609   1.2439 -0.5215454 1.677156 
1 1 1   24    6    7 o   56.439   0.7847  428.124   11.895  436.506   16.093  418.031   17.660   56.971   1.0517   55.742   1.1795 1.228977 1.580325 
1 1 1   24    6    8 o   50.985   0.7829  349.379   10.721  350.712   14.464  347.753   15.971   51.065   1.0546   50.841   1.1696 0.2245293 1.574785 
1 1 1   24    6    9 o   39.523   0.8125  209.966   8.6256  216.795   11.601  201.524   12.899   40.147   1.0758   38.697   1.2410 1.449883 1.642436 
1 1 1   24    6   10 o   73.905   0.8474  734.262   16.821  760.794   22.924  703.312   24.759   75.199   1.1350   72.285   1.2752 2.913719 1.707166 
1 1 1   24    6   11 o   17.417   1.3260   41.079   6.1565   37.878   7.9175   45.976   9.7911   16.660   1.7979   18.339   2.0213 -1.679398 2.705221 
1 1 1   24    6   12 o   49.301   0.7574  326.703   10.029  319.213   13.866  334.921   14.524   48.713   1.0598   49.895   1.0837 -1.182220 1.515787 
1 1 1   24    6   13 o   32.778   0.9428  144.485   8.2999  143.052   11.523  146.031   11.965   32.593   1.3163   32.928   1.3529 -0.3350677 1.887571 
1 1 1   24    6   14 o   59.868   0.7723  481.818   12.418  499.399   17.562  464.239   17.561   60.923   1.0733   58.735   1.1132 2.187958 1.546297 
1 1 1   24    6   15 f   33.249   0.8375  148.648   7.4793  146.629   10.283  150.915   10.898   33.004   1.1600   33.480   1.2119 -0.4753876 1.677631 
1 1 1   24    6   16 o   8.9491   2.2741   11.274   5.4774   7.2433   7.4652   15.974   8.0615   7.8624   2.8028   10.638   2.7878 -2.775168 3.953158 
1 1 1   24    6   17 o   45.570   0.7807  279.219   9.5561  280.473   13.339  277.896   13.697   45.647   1.0880   45.434   1.1224 0.2135124 1.563172 
1 1 1   24    6   18 o   58.227   0.8336  455.972   13.036  450.413   18.237  461.782   18.643   57.831   1.1741   58.554   1.1854 -0.7236938 1.668393 
1 1 1   24    6   19 o   44.850   0.7894  270.503   9.5090  292.638   13.509  248.768   13.387   46.621   1.0788   42.977   1.1597 3.644794 1.583946 
1 1 1   24    6   20 o   24.757   1.0166   82.505   6.7599   85.173   9.4405   79.698   9.6839   25.088   1.4067   24.254   1.4938 0.8342781 2.051886 
1 1 1   24    6   21 o   20.081   1.2068   54.536   6.4785   55.549   9.0148   53.455   9.3166   20.201   1.6766   19.799   1.7706 0.4023743 2.438453 
1 1 1   24    6   22 o   72.680   0.8292  710.623   16.187  702.793   22.642  718.808   23.151   72.217   1.1673   73.032   1.1802 -0.8154144 1.659988 
1 1 1   24    6   23 o   15.523   1.5098   32.855   6.2150   31.632   8.5173   34.248   9.0893   15.108   2.1605   15.720   2.2140 -0.6121902 3.093446 
1 1 1   24    6   24 o   22.411   1.1409   67.866   6.8448   62.835   9.3755   73.607   10.016   21.492   1.6365   23.275   1.6122 -1.783257 2.297205 
1 1 1   24    6   25 o   49.862   0.9353  334.704   12.525  327.225   16.570  344.674   19.132   49.253   1.2526   50.520   1.4099 -1.266514 1.885951 
1 1 1   24    6   26 o   44.880   0.8279  271.039   9.9802  273.809   13.849  268.046   14.395   45.068   1.1441   44.582   1.2021 0.4856606 1.659553 
1 1 1   24    6   27 o   19.404   1.3389   51.075   6.9350   46.287   9.1319   57.599   10.659   18.375   1.8767   20.501   1.9597 -2.125824 2.713368 
1 1 1   24    6   28 o   34.504   0.8937  160.286   8.2820  167.712   11.530  152.373   11.903   35.256   1.2177   33.591   1.3193 1.664555 1.795364 
1 1 1   24    6   29 o   37.704   0.9176  191.455   9.2924  190.512   12.846  192.489   13.458   37.563   1.2733   37.748   1.3273 -0.1855659 1.839342 
1 1 1   24    6   30 o   34.768   0.9177  162.826   8.5703  148.900   11.708  178.901   12.579   33.197   1.3131   36.392   1.2869 -3.195263 1.838604 
1 1 1   24    6   31 o   54.308   0.8665  397.212   12.640  392.162   18.409  401.717   17.387   53.874   1.2722   54.548   1.1867 -0.6739197 1.739758 
1 1 1   24    6   32 o   9.1774   2.5718   11.947   6.5937   5.4541   8.8605   20.005   9.8709   7.6969   2.9901   11.767   3.0854 -4.069828 4.296527 
1 1 1   24    6   33 o   24.925   1.1568   83.912   7.7445   89.697   10.633   77.378   11.302   25.667   1.5497   23.778   1.7826 1.888540 2.362053 
1 1 1   24    6   34 o   12.244   2.1247   21.095   6.7341   20.804   8.8545   21.495   10.371   12.008   2.7973   12.159   3.1503 -0.1501932 4.212976 
1 1 1   24    6   35 o   52.468   0.8956  371.086   12.621  367.733   16.662  375.599   19.332   52.157   1.1894   52.657   1.3669 -0.4998550 1.811905 
1 1 1   24    6   36 o   54.949   0.9484  407.228   13.997  391.263   17.311  437.373   23.788   53.793   1.1981   56.741   1.5609 -2.947689 1.967721 
1 1 1   24    6   37 o   31.085   1.1840  130.642   9.8852  129.102   12.178  133.618   16.925   30.845   1.4699   31.172   2.0326 -0.3270226 2.508443 
1 1 1   24    6   38 o   35.071   1.0453  166.053   9.8464  164.234   12.811  168.677   15.391   34.812   1.3701   35.215   1.6273 -0.4025421 2.127250 
1 1 1   24    6   39 o   24.522   1.3753   81.771   9.0221   95.799   10.904   51.323   16.065   26.509   1.5381   18.809   3.3002 7.699633 3.641046 
1 1 1   24    6   40 o   10.973   2.5018   17.334   7.2100   7.5154   9.5350   30.444   11.018   8.3014   3.1325   14.497   2.9305 -6.195101 4.289560 
1 1 1   24    6   41 o   20.432   1.5276   57.118   8.3225   59.726   11.642   54.393   11.902   20.723   2.1214   19.711   2.2909 1.012774 3.122318 
1 1 1   24    6   42 o   18.942   1.7663   49.537   8.8825   27.501   11.777   78.618   13.528   13.604   3.2646   23.763   2.1426 -10.15855 3.904891 
1 1 1   24    6   43 o   25.673   1.5349   90.325   10.535  128.823   16.011   60.929   13.991   30.491   1.9655   20.675   2.5752 9.816013 3.239573 
1 1 1   24    6   44 o   39.218   1.2514  209.221   13.182  222.603   19.939  198.831   17.569   40.151   1.8489   38.017   1.7206 2.134499 2.525626 
1 1 1   24    6   45 o   19.095   2.0464   51.396   10.332   42.006   15.355   59.165   13.967   16.479   3.5723   20.205   2.6365 -3.726452 4.439881 
1 1 1   24    6   46 o   34.240   1.3364  160.433   12.290  169.789   19.303  154.055   15.938   34.714   2.0798   33.264   1.7904 1.450089 2.744339 
1 1 1   24    6   47 o   21.550   2.3105   66.960   13.165   58.860   26.021   69.746   15.262   17.857   5.1448   21.759   2.6674 -3.902252 5.795136 
1 1 1   24    6   48 o   24.116   2.5941   85.901   16.539   78.855   21.161   96.960   26.511   22.134   3.6895   23.930   4.2819 -1.796249 5.652178 
1 1 1   24    7  -43 o   8.2275   3.6755  -2.9499   16.589   0.0000   0.0000  -2.9499   16.589  ?   ?    8.2275   3.6755 0.000000 3.675462 
1 1 1   24    7  -42 o   25.807   2.9471   96.219   20.062   0.0000   0.0000   96.219   20.062  ?   ?    25.807   2.9471 0.000000 2.947059 
1 1 1   24    7  -41 o   16.789   3.0546   41.203   13.267   30.076   18.322   53.468   19.236   13.988   4.3841   18.733   3.9476 -4.744718 5.899511 
1 1 1   24    7  -40 o   29.382   1.5499  117.914   12.188  120.433   15.466  113.786   19.800   29.549   1.9598   28.425   2.6230 1.124218 3.274271 
1 1 1   24    7  -39 o   14.857   2.3701   31.242   9.1401   23.527   12.881   39.065   12.972   12.609   3.6159   16.410   3.0553 -3.801577 4.733936 
1 1 1   24    7  -38 o   11.566   2.9074   19.459   9.0221   25.689   12.302   12.209   13.272   13.189   3.4377   10.055   3.7152 3.133672 5.061637 
1 1 1   24    7  -37 f   42.996   1.1207  249.838   12.943  244.933   17.817  255.319   18.833   42.447   1.5628   43.318   1.6186 -0.8715477 2.249925 
1 1 1   24    7  -36 o   18.425   1.9222   46.900   9.3726   61.243   13.081   31.767   13.436   20.943   2.3669   14.676   3.4642 6.267205 4.195571 
1 1 1   24    7  -35 o   24.479   2.1644   82.921   14.084   86.729   19.342   78.623   20.549   24.728   2.9717   23.352   3.3740 1.375633 4.496107 
1 1 1   24    7  -34 o   14.593   2.3202   30.002   8.7896   32.150   12.036   27.547   12.866   14.878   3.1119   13.670   3.4916 1.207891 4.677122 
1 1 1   24    7  -33 o   13.870   2.4020   27.232   8.6246   15.224   12.258   39.005   12.137   10.609   3.6030   16.526   2.8365 -5.916525 4.585587 
1 1 1   24    7  -32 o   26.823   1.4260   97.773   10.236  103.551   14.730   92.375   14.235   27.450   2.0119   25.902   2.0633 1.547110 2.881825 
1 1 1   24    7  -31 o   26.153   1.8456   93.631   12.881   93.214   17.745   94.096   18.729   25.860   2.5896   25.931   2.7300 -0.7105637E-01 3.762860 
1 1 1   24    7  -30 o   10.302   2.8058   15.187   7.9740   18.337   10.953   11.635   11.631   11.326   3.3592   9.7305   3.4954 1.595641 4.847835 
1 1 1   24    7  -29 o   26.947   1.3229   98.162   9.5747  114.976   13.452   80.900   13.631   29.046   1.7322   24.253   2.1136 4.792814 2.732734 
1 1 1   24    7  -28 o   29.151   1.2473  114.751   9.7657  111.136   13.543  118.667   14.095   28.554   1.7747   29.506   1.7869 -0.9521561 2.518425 
1 1 1   24    7  -27 o   6.4733   2.6846   1.6386   7.6566  -3.4013   10.509   7.3417   11.179   6.6252   2.9448   8.7322   3.3680 -2.107012 4.473795 
1 1 1   24    7  -26 o   49.190   1.0025  325.997   13.245  311.552   18.401  341.528   19.081   48.008   1.4271   50.268   1.4132 -2.259682 2.008413 
1 1 1   24    7  -25 o   29.529   1.2156  117.633   9.6415  117.635   13.441  117.631   13.838   29.416   1.7086   29.404   1.7602 0.1146317E-01 2.453097 
1 1 1   24    7  -24 o   40.135   1.2272  217.301   13.229  201.612   22.686  225.387   16.285   38.407   2.2084   40.833   1.4849 -2.425934 2.661191 
1 1 1   24    7  -23 o   8.1014   2.8878   7.8263   7.9246   0.1345   11.146   15.688   11.269   7.4033   3.1632   10.726   3.4473 -3.322444 4.678688 
1 1 1   24    7  -22 o   20.635   1.7712   58.097   9.7213   69.304   11.827   34.751   17.069   22.510   1.9761   15.453   4.0598 7.057760 4.515205 
1 1 1   24    7  -21 o   75.535   1.3333  769.920   27.050  783.618   34.634  748.495   43.315   76.092   1.6946   74.182   2.1739 1.909683 2.756402 
1 1 1   24    7  -20 o   19.846   1.5359   53.532   8.1235   58.326   11.681   49.042   11.305   20.610   2.1414   18.851   2.2790 1.759127 3.127241 
1 1 1   24    7  -19 o   9.4413   3.0016   12.058   8.5610   18.716   11.093   2.2508   13.463   11.526   3.3702   8.4499   3.5367 3.076126 4.885298 
1 1 1   24    7  -18 o   34.816   1.0580  163.227   9.8936  167.578   14.196  159.118   13.796   35.230   1.5002   34.329   1.4963 0.9003143 2.118837 
1 1 1   24    7  -17 o   12.066   2.4332   20.508   7.6135   36.585   10.824   4.7641   10.711   16.192   2.5750   8.1323   3.2480 8.059593 4.144938 
1 1 1   24    7  -16 o   15.174   2.1980   31.875   8.6973   22.767   15.480   36.077   10.514   12.828   4.0313   16.095   2.5142 -3.267153 4.751081 
1 1 1   24    7  -15 o   73.097   0.9693  718.983   19.031  726.445   26.160  710.594   27.738   73.413   1.3267   72.588   1.4227 0.8252792 1.945299 
1 1 1   24    7  -14 o   33.573   0.9067  151.615   8.1757  148.965   10.413  155.875   13.202   33.260   1.1656   33.998   1.4458 -0.7379112 1.857097 
1 1 1   24    7  -13 o   24.762   0.8260   82.452   5.4937   85.020   7.6200   79.673   7.9278   25.131   1.1289   24.323   1.2135 0.8077488 1.657423 
1 1 1   24    7  -12 o   32.824   0.7520  144.842   6.6296  146.931   9.3745  142.753   9.3769   33.043   1.0563   32.569   1.0719 0.4741287 1.504882 
1 1 1   24    7  -11 o   31.869   0.8224  136.553   7.0397  134.580   9.2068  139.330   10.923   31.624   1.0839   32.165   1.2643 -0.5414257 1.665375 
1 1 1   24    7  -10 o   93.297   0.8907  1170.52   22.320  1162.95   31.562  1178.09   31.568   92.933   1.2645   93.537   1.2565 -0.6042328 1.782609 
1 1 1   24    7   -9 o   45.346   0.8889  276.503   10.827  267.947   16.641  282.783   14.257   44.598   1.3892   45.838   1.1580 -1.239902 1.808537 
1 1 1   24    7   -8 o   37.274   0.8151  186.779   8.1599  187.275   11.771  186.321   11.322   37.302   1.1748   37.210   1.1328 0.9226608E-01 1.632048 
1 1 1   24    7   -7 o   94.431   0.9391  1199.15   23.818  1168.78   34.916  1225.58   32.573   93.151   1.3956   95.412   1.2711 -2.260918 1.887633 
1 1 1   24    7   -6 o   47.457   0.8044  302.755   10.254  279.234   14.519  326.159   14.483   45.551   1.1868   49.237   1.0951 -3.686516 1.614839 
1 1 1   24    7   -5 o   94.465   0.9013  1199.84   22.868  1193.41   32.291  1206.31   32.390   94.154   1.2769   94.663   1.2739 -0.5083160 1.803682 
1 1 1   24    7   -4 o   21.351   1.0035   61.312   5.7547   64.081   8.2056   58.632   8.0728   21.767   1.4111   20.812   1.4533 0.9547329 2.025629 
1 1 1   24    7   -3 o   67.002   0.7723  603.410   13.898  608.224   19.805  598.738   19.507   67.240   1.0966   66.714   1.0886 0.5255737 1.545209 
1 1 1   24    7   -2 o  118.355   1.0939  1884.43   34.773  1894.95   51.805  1875.80   46.911  118.563   1.6268  118.000   1.4801 0.5624619 2.199389 
1 1 1   24    7   -1 o   10.459   2.2507   15.359   6.1353   16.177   8.7354   14.563   8.6191   10.740   2.9416   10.242   2.9639 0.4978275 4.175837 
1 1 1   24    7    0 o   50.161   0.7838  338.204   10.560  338.121   14.202  338.306   15.792   50.137   1.0546   50.142   1.1726 -0.4405975E-02 1.577065 
1 1 1   24    7    1 o   41.644   0.8276  233.126   9.2567  232.796   12.081  233.595   14.405   41.600   1.0812   41.657   1.2875 -0.5688095E-01 1.681255 
1 1 1   24    7    2 o   52.906   0.7748  376.224   11.010  379.493   15.038  372.447   16.164   53.116   1.0541   52.613   1.1438 0.5028381 1.555429 
1 1 1   24    7    3 o   13.292   1.6639   24.189   5.8100   27.815   8.2899   20.688   8.1452   14.169   2.2539   12.128   2.5798 2.040852 3.425700 
1 1 1   24    7    4 o   63.940   0.8852  549.665   15.203  539.907   20.253  562.261   23.010   63.340   1.1904   64.622   1.3257 -1.281944 1.781734 
1 1 1   24    7    5 o   23.405   0.9923   73.671   6.2380   73.272   8.6619   74.101   8.9910   23.284   1.3914   23.410   1.4369 -0.1268482 2.000155 
1 1 1   24    7    6 o   8.7983   2.3269   10.854   5.5831  -1.8765   7.3055   28.728   8.6567   5.6709   2.4906   14.391   2.3184 -8.719851 3.402687 
1 1 1   24    7    7 o   35.014   0.8108  164.806   7.6246  165.179   10.712  164.422   10.855   35.036   1.1383   34.955   1.1562 0.8149338E-01 1.622525 
1 1 1   24    7    8 o   38.333   0.7958  197.534   8.1931  193.190   11.430  202.125   11.750   37.891   1.1231   38.756   1.1288 -0.8658524 1.592345 
1 1 1   24    7    9 o   22.702   1.0922   69.346   6.6598   75.189   9.9151   64.543   8.9895   23.562   1.5758   21.826   1.5434 1.735685 2.205705 
1 1 1   24    7   10 o   28.911   0.8797  112.397   6.8314  119.899   9.5032  104.375   9.8269   29.845   1.1855   27.838   1.3143 2.006514 1.769972 
1 1 1   24    7   11 o   23.429   1.0202   73.849   6.4200   67.800   8.8689   80.507   9.3052   22.377   1.4840   24.400   1.4261 -2.022184 2.058162 
1 1 1   24    7   12 o   37.759   0.8950  191.754   9.0771  202.321   12.762  180.937   12.913   38.761   1.2259   36.648   1.3118 2.112858 1.795455 
1 1 1   24    7   13 o   43.075   0.7851  249.470   9.0837  254.062   12.664  244.604   13.037   43.446   1.0852   42.625   1.1387 0.8211594 1.573028 
1 1 1   24    7   14 o   51.508   0.7676  356.713   10.620  352.573   14.732  361.191   15.322   51.180   1.0717   51.798   1.1013 -0.6184311 1.536731 
1 1 1   24    7   15 o   33.015   0.8517  146.607   7.5526  143.588   10.402  149.972   10.984   32.651   1.1861   33.365   1.2256 -0.7146034 1.705603 
1 1 1   24    7   16 o   52.133   0.7725  365.475   10.817  358.912   15.047  372.495   15.562   51.630   1.0851   52.596   1.1016 -0.9658051 1.546248 
1 1 1   24    7   17 o   6.8551   2.4585   5.4333   5.7518   2.2116   7.7647   9.3510   8.5624   6.6639   2.7272   8.6779   3.0091 -2.014031 4.061101 
1 1 1   24    7   18 o   26.469   0.9821   94.308   6.9820   93.597   9.6809   95.079   10.079   26.305   1.3750   26.506   1.4209 -0.2016563 1.977274 
1 1 1   24    7   19 o   68.959   0.8182  639.692   15.155  664.610   21.494  615.059   21.370   70.234   1.1394   67.558   1.1777 2.676369 1.638686 
1 1 1   24    7   20 o   19.434   1.2365   51.129   6.4208   43.239   8.7778   60.209   9.4165   17.768   1.8673   21.031   1.6811 -3.263077 2.512528 
1 1 1   24    7   21 o   27.720   0.9759  103.459   7.2657  106.607   10.055  100.019   10.511   28.107   1.3319   27.176   1.4452 0.9315834 1.965315 
1 1 1   24    7   22 o   21.202   1.1918   60.799   6.7597   66.954   9.2651   53.795   9.8841   22.198   1.5639   19.830   1.8781 2.368040 2.444011 
1 1 1   24    7   23 o   26.077   1.1263   91.655   7.8888   87.686   11.176   95.595   11.137   25.401   1.6470   26.540   1.5692 -1.139263 2.274894 
1 1 1   24    7   24 o   4.8155   2.2348  -5.9252   6.9216 -20.9286   9.6347   10.076   9.9500   4.4865   2.2141   9.1086   3.2370 -4.622109 3.921799 
1 1 1   24    7   25 o   41.418   0.8745  230.921   9.7283  232.237   12.941  229.212   14.751   41.498   1.1611   41.200   1.3330 0.2983513 1.767788 
1 1 1   24    7   26 o   50.670   0.8177  345.546   11.129  338.556   15.430  353.123   16.066   50.103   1.1466   51.166   1.1691 -1.062241 1.637486 
1 1 1   24    7   27 o   31.632   0.9929  134.821   8.4357  139.163   12.436  131.120   11.481   32.078   1.4434   31.148   1.3723 0.9303169 1.991635 
1 1 1   24    7   28 o   39.197   0.9720  207.028   10.233  212.037   15.205  202.880   13.836   39.591   1.4299   38.746   1.3295 0.8453140 1.952469 
1 1 1   24    7   29 o   48.988   0.8620  323.194   11.342  315.912   15.945  330.654   16.138   48.364   1.2274   49.483   1.2142 -1.118584 1.726540 
1 1 1   24    7   30 o   58.574   0.8569  462.117   13.481  461.566   19.242  462.648   18.894   58.449   1.2257   58.525   1.2020 -0.7517624E-01 1.716667 
1 1 1   24    7   31 o   30.259   0.9984  123.484   8.1143  116.459   10.983  131.928   12.041   29.326   1.3943   31.205   1.4366 -1.879049 2.001992 
1 1 1   24    7   32 o   36.349   0.9289  178.125   9.0685  178.095   12.213  178.161   13.539   36.288   1.2530   36.266   1.3899 0.2255249E-01 1.871377 
1 1 1   24    7   33 o   28.337   1.1362  108.487   8.6479  108.830   11.061  107.947   13.871   28.289   1.4607   28.069   1.8502 0.2205124 2.357318 
1 1 1   24    7   34 o   27.057   1.2583   99.069   9.1443   86.618   11.091  125.499   16.159   25.180   1.6490   30.216   2.0024 -5.036280 2.594012 
1 1 1   24    7   35 o   16.086   1.7128   35.631   7.2864   30.797   9.8218   41.547   10.866   14.709   2.5802   17.189   2.4206 -2.480340 3.537853 
1 1 1   24    7   36 o   30.059   1.1167  122.095   9.0155  131.525   11.715  108.397   14.119   31.143   1.4005   28.105   1.8813 3.038887 2.345320 
1 1 1   24    7   37 f   7.9539   2.7423   8.1328   7.1062   9.2301   9.0671   6.3857   11.442   8.6377   3.0879   8.5221   3.3716 0.1156473 4.571981 
1 1 1   24    7   38 o   22.466   1.4499   68.798   8.7025   62.854   10.679   80.550   15.016   21.360   1.8805   24.041   2.3557 -2.680872 3.014220 
1 1 1   24    7   39 o   17.785   1.6355   43.453   7.7252   43.929   10.022   42.755   12.126   17.743   2.1467   17.320   2.6941 0.4231091 3.444770 
1 1 1   24    7   40 o   20.573   1.4009   57.762   7.6951   60.028   10.169   54.726   11.771   20.858   1.8338   19.772   2.2569 1.086027 2.907966 
1 1 1   24    7   41 o   23.102   1.4764   72.985   9.1127   73.121   12.106   72.808   13.843   22.959   1.9826   22.789   2.2926 0.1700649 3.030971 
1 1 1   24    7   42 o   18.140   1.8274   45.715   8.7822   52.432   11.566   36.568   13.496   19.270   2.2787   15.622   3.3189 3.648254 4.025824 
1 1 1   24    7   43 o   22.763   1.8000   71.909   10.915   66.689   15.781   76.697   15.114   21.431   2.8092   23.196   2.4636 -1.764826 3.736418 
1 1 1   24    7   44 o   26.884   1.5300   99.556   11.002  114.172   15.166   83.319   15.985   28.555   1.9898   24.081   2.5083 4.474010 3.201680 
1 1 1   24    7   45 o   8.9941   3.4259   10.111   11.472 -18.6839   19.336   25.752   14.251   7.3496   3.5079   12.669   3.8486 -5.319815 5.207451 
1 1 1   24    7   46 o   33.569   2.0310  159.509   18.226  149.801   22.426  178.400   31.282   31.979   2.6343   33.900   3.4853 -1.921034 4.368864 
1 1 1   24    7   47 o   17.703   2.8614   47.618   13.141   32.697   18.897   61.592   18.288   13.563   4.4715   19.549   3.6161 -5.985645 5.750666 
1 1 1   24    8  -42 o   17.743   5.2377   54.670   26.680   0.0000   0.0000   54.670   26.680  ?   ?    17.743   5.2377 0.000000 5.237700 
1 1 1   24    8  -41 o   20.544   3.4973   63.334   18.607   0.0000   0.0000   63.334   18.607  ?   ?    20.544   3.4973 0.000000 3.497323 
1 1 1   24    8  -40 o   7.8971   3.2786   3.5040   11.437 -17.2377   15.592   27.666   16.828   6.6641   3.1722   13.443   4.1998 -6.778693 5.263189 
1 1 1   24    8  -39 o   18.601   2.2003   48.471   10.780   52.199   13.389   41.602   18.174   19.130   2.6793   16.446   4.1223 2.684309 4.916497 
1 1 1   24    8  -38 o   26.516   1.4413   95.829   10.226   80.182   13.874  114.442   15.132   24.019   2.1742   28.809   1.9673 -4.790188 2.932163 
1 1 1   24    8  -37 o   15.544   2.2695   33.990   9.1959   39.594   12.910   28.219   13.102   16.543   3.0168   13.781   3.5254 2.761915 4.639943 
1 1 1   24    8  -36 o   29.690   1.3156  119.455   10.491  112.974   14.394  126.799   15.323   28.682   1.8788   30.390   1.8865 -1.708172 2.662481 
1 1 1   24    8  -35 o   16.817   2.0325   39.312   8.9945   39.869   12.506   38.715   12.945   16.662   2.8999   16.358   3.0589 0.3042316 4.214968 
1 1 1   24    8  -34 o   33.402   1.4178  151.372   12.719  153.598   15.326  146.444   22.800   33.528   1.7075   32.351   2.6472 1.177608 3.150097 
1 1 1   24    8  -33 o   36.269   1.1906  177.917   11.598  179.874   16.300  175.910   16.506   36.343   1.6699   35.928   1.7105 0.4149246 2.390421 
1 1 1   24    8  -32 o   28.067   1.3454  106.734   10.142  111.277   14.426  102.294   14.262   28.475   1.8972   27.276   1.9597 1.198301 2.727584 
1 1 1   24    8  -31 o   18.321   1.8394   46.236   8.9289   35.951   12.288   57.740   12.997   15.793   3.0068   20.320   2.4294 -4.527778 3.865561 
1 1 1   24    8  -30 o   60.061   1.4269  488.924   23.019  465.711   32.086  513.543   33.043   58.335   2.0478   61.279   2.0076 -2.944862 2.867745 
1 1 1   24    8  -29 f   23.046   1.4875   72.296   9.1586   69.918   12.983   74.651   12.922   22.491   2.1764   23.271   2.0897 -0.7801018 3.017190 
1 1 1   24    8  -28 o   8.9387   2.9427   10.720   8.1852   8.3457   11.497   13.161   11.656   8.9825   3.4276   10.086   3.5101 -1.103625 4.906086 
1 1 1   24    8  -27 o   22.200   1.5214   67.075   9.0170   72.514   12.817   61.744   12.688   22.953   2.1023   21.120   2.2725 1.832558 3.095782 
1 1 1   24    8  -26 o   23.142   1.4763   72.780   9.1289   77.734   12.848   67.728   12.974   23.799   2.0293   22.158   2.2094 1.641439 2.999874 
1 1 1   24    8  -25 o   11.492   2.6594   18.867   8.0459   22.318   11.261   15.269   11.500   12.438   3.3120   10.611   3.4877 1.826594 4.809674 
1 1 1   24    8  -24 o   40.017   1.2731  216.213   13.684  223.027   19.438  209.518   19.268   40.538   1.7852   39.282   1.8262 1.256519 2.553800 
1 1 1   24    8  -23 o   19.968   1.8168   54.543   9.6372   31.661   15.305   69.575   12.405   14.742   3.8306   22.516   2.0746 -7.774088 4.356327 
1 1 1   24    8  -22 f   40.422   1.1606  220.346   12.601  214.204   18.322  225.858   17.358   39.758   1.7158   40.852   1.5820 -1.094738 2.333777 
1 1 1   24    8  -21 o   40.092   1.0511  216.579   11.319  238.278   16.466  197.141   15.585   41.988   1.4601   38.182   1.5197 3.806202 2.107457 
1 1 1   24    8  -20 o   17.640   2.0369   42.834   9.4732   43.474   11.689   41.609   16.171   17.657   2.5376   16.974   3.6550 0.6838303 4.449545 
1 1 1   24    8  -19 o   35.246   1.2661  167.587   11.986  170.292   14.706  162.237   20.686   35.490   1.5427   34.441   2.2485 1.048973 2.726886 
1 1 1   24    8  -18 o   15.964   2.0905   35.202   8.7482   38.927   11.065   28.990   14.288   16.697   2.5479   14.169   3.7105 2.527755 4.501099 
1 1 1   24    8  -17 o   31.108   1.1781  130.439   9.8431  147.488   13.539  111.322   14.336   33.038   1.5257   28.598   1.8768 4.439753 2.418695 
1 1 1   24    8  -16 o   15.508   1.1455   32.582   4.7376   32.797   5.2971   31.724   10.592   15.543   1.2803   15.007   2.7282 0.5358744 3.013671 
1 1 1   24    8  -15 o   41.238   0.8281  228.764   9.1718  223.383   11.216  239.626   15.936   40.732   1.0252   42.138   1.4080 -1.406662 1.741678 
1 1 1   24    8  -14 o   64.127   0.7566  553.013   13.032  549.495   18.376  556.572   18.484   63.879   1.0710   64.290   1.0705 -0.4101105 1.514268 
1 1 1   24    8  -13 o   48.498   0.8048  316.338   10.483  331.366   17.218  307.485   13.214   49.579   1.2930   47.792   1.0294 1.786663 1.652727 
1 1 1   24    8  -12 o   34.695   0.8660  161.924   8.0704  160.663   11.286  163.244   11.545   34.532   1.2168   34.806   1.2350 -0.2744865 1.733705 
1 1 1   24    8  -11 o   49.632   0.7794  331.241   10.390  335.900   16.082  327.903   13.613   49.936   1.1990   49.358   1.0269 0.5779800 1.578653 
1 1 1   24    8  -10 o   10.771   1.8163   16.107   5.0674   20.471   7.7068   12.783   6.7258   12.058   2.4628   9.5318   2.5689 2.526474 3.558779 
1 1 1   24    8   -9 o   29.296   0.8087  115.412   6.3635  105.410   8.9902  125.455   9.0086   27.977   1.1964   30.528   1.0987 -2.551119 1.624352 
1 1 1   24    8   -8 o   18.931   1.1986   48.454   6.0628   39.057   9.5765   54.739   7.8324   16.843   2.1672   20.095   1.4611 -3.252575 2.613701 
1 1 1   24    8   -7 o   32.297   0.9569  140.323   8.3012  140.088   11.205  140.610   12.359   32.247   1.2936   32.296   1.4248 -0.4928589E-01 1.924458 
1 1 1   24    8   -6 o   23.469   1.0421   74.119   6.5688   69.840   10.532   76.842   8.4034   22.676   1.7426   23.847   1.3171 -1.170630 2.184375 
1 1 1   24    8   -5 o   92.782   0.9332  1157.89   23.257  1138.06   34.269  1174.83   31.665   91.897   1.3884   93.398   1.2623 -1.500435 1.876408 
1 1 1   24    8   -4 o   46.250   0.7392  287.546   9.1832  292.605   13.165  282.750   12.816   46.632   1.0511   45.841   1.0409 0.7911644 1.479275 
1 1 1   24    8   -3 o   66.835   0.8143  600.584   14.618  596.935   21.861  603.536   19.660   66.584   1.2224   66.968   1.0930 -0.3845367 1.639756 
1 1 1   24    8   -2 o   74.567   0.8492  747.649   17.007  755.689   23.062  738.065   25.180   74.929   1.1459   74.031   1.2664 0.8974304 1.707863 
1 1 1   24    8   -1 f   57.671   0.7573  447.093   11.730  438.974   16.615  455.160   16.562   57.115   1.0831   58.161   1.0602 -1.045906 1.515599 
1 1 1   24    8    0 o   47.150   0.7544  298.849   9.5533  307.272   13.594  290.629   13.428   47.787   1.0591   46.474   1.0758 1.313648 1.509644 
1 1 1   24    8    1 f   23.019   1.0551   71.295   6.5231   68.104   8.7137   75.362   9.8384   22.432   1.4541   23.588   1.5617 -1.156322 2.133832 
1 1 1   24    8    2 o   42.988   0.8084  248.458   9.3346  255.184   12.595  240.262   13.904   43.547   1.0768   42.242   1.2255 1.304855 1.631352 
1 1 1   24    8    3 o   44.862   0.9109  270.679   10.976  272.595   14.134  267.767   17.423   45.000   1.1694   44.571   1.4554 0.4292946 1.866992 
1 1 1   24    8    4 o   38.856   0.8672  203.028   9.0504  204.476   12.280  201.306   13.391   38.973   1.1731   38.660   1.2896 0.3130531 1.743326 
1 1 1   24    8    5 o   7.1045   2.4001   6.3775   5.4390   12.789   7.1608  -2.3653   8.3619   9.5636   2.6802   6.0193   2.6535 3.544269 3.771505 
1 1 1   24    8    6 o   37.388   0.8007  187.949   8.0411  188.501   11.312  187.386   11.432   37.422   1.1254   37.310   1.1408 0.1119843 1.602547 
1 1 1   24    8    7 o   23.045   1.0672   71.470   6.6054   76.022   9.5162   67.237   9.1760   23.695   1.5030   22.273   1.5433 1.422096 2.154284 
1 1 1   24    8    8 o   32.940   0.8383  145.918   7.4170  142.769   10.185  149.473   10.823   32.563   1.1645   33.315   1.2095 -0.7523842 1.678964 
1 1 1   24    8    9 o   66.605   0.7915  596.499   14.160  591.455   19.884  601.688   20.169   66.282   1.1169   66.852   1.1232 -0.5700150 1.584032 
1 1 1   24    8   10 o   27.864   0.9339  104.454   6.9890  113.465   9.6986   94.720   10.080   29.021   1.2442   26.465   1.4233 2.556126 1.890513 
1 1 1   24    8   11 o   25.951   1.0895   90.669   7.5939   84.922   10.499   96.976   10.998   25.033   1.5694   26.762   1.5364 -1.728910 2.196269 
1 1 1   24    8   12 o   31.981   0.8730  137.588   7.4989  138.960   10.467  136.142   10.749   32.115   1.2134   31.784   1.2591 0.3311501 1.748644 
1 1 1   24    8   13 o   56.626   0.7776  431.211   11.827  441.777   16.672  420.507   16.780   57.278   1.0837   55.877   1.1181 1.400692 1.557060 
1 1 1   24    8   14 o   70.279   0.8080  664.331   15.252  662.860   21.372  665.857   21.772   70.148   1.1343   70.303   1.1530 -0.1548538 1.617440 
1 1 1   24    8   15 o   53.347   0.8104  382.807   11.612  373.868   16.587  391.398   16.260   52.674   1.1724   53.902   1.1231 -1.228230 1.623567 
1 1 1   24    8   16 o   46.966   0.8414  296.772   10.614  295.528   14.810  298.086   15.220   46.827   1.1775   47.026   1.2050 -0.1983299 1.684780 
1 1 1   24    8   17 o   34.196   0.8674  157.354   7.9664  162.412   11.036  151.852   11.511   34.711   1.1837   33.554   1.2773 1.157619 1.741462 
1 1 1   24    8   18 o   35.569   0.8534  170.241   8.1528  172.752   11.283  167.497   11.794   35.798   1.1734   35.241   1.2460 0.5571671 1.711555 
1 1 1   24    8   19 o   23.067   1.0876   71.697   6.7380   77.325   9.2225   65.253   9.8683   23.882   1.4446   21.891   1.6915 1.991392 2.224401 
1 1 1   24    8   20 o   17.184   1.4112   40.150   6.4557   38.214   8.7558   42.456   9.5560   16.657   1.9968   17.555   2.0662 -0.8978386 2.873434 
1 1 1   24    8   21 o   22.970   1.2350   71.382   7.5913   69.107   10.791   73.610   10.681   22.506   1.8002   23.247   1.7230 -0.7410603 2.491861 
1 1 1   24    8   22 f   21.968   1.3263   65.397   7.7894   53.133   12.039   74.227   10.216   19.596   2.3333   23.357   1.6388 -3.761702 2.851249 
1 1 1   24    8   23 o   7.7033   2.8738   6.3368   7.9788   3.0873   10.679   10.443   12.004   7.7628   3.1901   9.5815   3.5347 -1.818650 4.761400 
1 1 1   24    8   24 o   33.317   0.9906  149.559   8.8643  145.921   13.287  152.477   11.899   32.840   1.5064   33.599   1.3186 -0.7588348 2.001976 
1 1 1   24    8   25 o   9.3295   2.5187   12.347   6.4588   17.719   8.9307   6.4564   9.3520   11.123   2.9436   8.0815   3.0896 3.041070 4.267345 
1 1 1   24    8   26 o   54.789   0.8496  404.189   12.502  404.980   17.903  403.436   17.467   54.768   1.2170   54.670   1.1896 0.9794235E-01 1.701816 
1 1 1   24    8   27 o   14.325   1.8225   28.338   6.8534   32.131   9.4718   24.171   9.9288   15.126   2.4125   12.963   2.9216 2.162556 3.788891 
1 1 1   24    8   28 o   16.780   1.5301   38.479   6.8203   43.600   9.1849   32.185   10.183   17.779   1.9558   15.076   2.6092 2.703031 3.260799 
1 1 1   24    8   29 f   23.114   1.1805   72.362   7.3040   69.116   9.9527   76.150   10.752   22.494   1.6590   23.606   1.7074 -1.111464 2.380688 
1 1 1   24    8   30 o   14.355   1.9073   28.599   7.1719   23.615   9.1332   36.616   11.583   12.817   2.7363   16.022   2.7932 -3.204898 3.910190 
1 1 1   24    8   31 o   8.4810   2.7609   9.7495   7.2130   16.008   9.2116  -0.1702   11.597   10.560   3.0664   7.4240   3.2003 3.136064 4.432211 
1 1 1   24    8   32 o   37.149   0.9533  186.160   9.5116  173.177   12.723  202.613   14.322   35.756   1.3247   38.662   1.3792 -2.905743 1.912361 
1 1 1   24    8   33 o   12.153   2.5592   21.202   8.0896   15.910   9.7149   33.169   14.610   10.541   3.1721   14.939   3.6680 -4.397350 4.849408 
1 1 1   24    8   34 o   38.914   0.9326  204.270   9.7472  203.575   13.387  205.055   14.220   38.771   1.2856   38.891   1.3613 -0.1208954 1.872366 
1 1 1   24    8   35 o   21.544   1.3470   63.152   7.7555   73.617   10.405   50.072   11.633   23.186   1.6823   18.913   2.3399 4.273048 2.881890 
1 1 1   24    8   36 o   10.442   2.6014   15.738   7.2691   16.859   9.5228   14.173   11.253   10.795   3.1130   10.206   3.4522 0.5887547 4.648429 
1 1 1   24    8   37 o   21.960   1.3279   65.617   7.7955   74.887   10.517   54.314   11.613   23.376   1.6864   19.730   2.2306 3.645838 2.796329 
1 1 1   24    8   38 o   32.979   1.0537  146.995   9.3331  162.710   12.529  127.401   13.990   34.627   1.3471   30.496   1.7149 4.130236 2.180722 
1 1 1   24    8   39 o   21.885   1.4177   65.391   8.2887   65.821   10.777   64.768   12.970   21.831   1.8555   21.505   2.2803 0.3258228 2.939781 
1 1 1   24    8   40 o   18.963   2.0100   50.147   10.081   58.765   14.286   41.598   14.229   20.266   2.6911   16.748   3.2805 3.518038 4.243018 
1 1 1   24    8   41 o   5.4228   2.5475  -8.8913   9.4545   4.9513   13.162 -23.6478   13.590   8.5257   3.5265   5.5732   2.7257 2.952535 4.457144 
1 1 1   24    8   42 o   39.120   1.2907  208.573   13.562  208.843   17.968  208.215   20.675   38.926   1.7186   38.648   1.9985 0.2783203 2.635824 
1 1 1   24    8   43 o   16.453   2.1234   38.537   9.1651   45.130   12.376   30.531   13.638   17.533   2.7160   13.933   3.6138 3.599864 4.520628 
1 1 1   24    8   44 o   11.893   3.6416   22.406   12.725   40.412   19.056   7.9153   17.095   15.429   4.3892   9.5159   3.9843 5.913379 5.927833 
1 1 1   24    8   45 o   33.686   1.8174  159.206   16.382  125.126   24.470  186.889   22.054   28.553   3.2486   36.061   2.2889 -7.507896 3.973978 
1 1 1   24    8   46 o   7.9759   3.5097   1.3719   14.567   4.6634   19.163  -3.1340   22.421   9.2065   4.0389   8.9588   4.1085 0.2476864 5.761282 
1 1 1   24    9  -41 o   18.394   5.2737   59.620   27.402   0.0000   0.0000   59.620   27.402  ?   ?    18.394   5.2737 0.000000 5.273688 
1 1 1   24    9  -40 o   32.930   2.4435  153.580   21.458   0.0000   0.0000  153.580   21.458  ?   ?    32.930   2.4435 0.000000 2.443521 
1 1 1   24    9  -39 o   8.5998   3.4007   7.1383   11.635   4.4713   15.569   10.511   17.509   9.0171   3.7903   10.292   4.1378 -1.275102 5.611382 
1 1 1   24    9  -38 o   11.466   3.1541   19.438   10.017   26.271   12.386   6.5163   17.032   13.229   3.4500   9.6692   4.0066 3.560234 5.287266 
1 1 1   24    9  -37 o   15.452   2.5036   34.038   10.035   26.237   13.070   45.243   15.664   13.234   3.5872   17.473   3.4602 -4.238593 4.984041 
1 1 1   24    9  -36 o   33.877   1.2486  155.501   11.361  176.342   16.378  136.171   15.773   35.941   1.6966   31.475   1.8742 4.466270 2.528031 
1 1 1   24    9  -35 o   23.026   1.7849   72.855   10.952   93.745   15.070   49.468   15.945   26.001   2.1780   18.396   3.3505 7.604616 3.996145 
1 1 1   24    9  -34 o   46.276   1.0844  289.403   13.479  298.665   19.071  280.159   19.052   46.871   1.5149   45.378   1.5632 1.493256 2.176792 
1 1 1   24    9  -33 o   32.452   1.3381  142.785   11.663  146.117   15.534  138.478   17.658   32.665   1.7772   31.682   2.0868 0.9836063 2.741029 
1 1 1   24    9  -32 o   30.823   1.6285  129.710   13.434  136.924   21.216  124.882   17.357   31.309   2.5449   30.054   2.1647 1.255171 3.340988 
1 1 1   24    9  -31 o   21.303   1.6316   62.130   9.2648   63.526   13.010   60.694   13.197   21.344   2.3060   20.825   2.4035 0.5192566 3.330806 
1 1 1   24    9  -30 o   25.072   1.4453   85.583   9.6916   94.134   13.706   77.032   13.706   26.153   1.9656   23.574   2.1896 2.579399 2.942466 
1 1 1   24    9  -29 o   35.718   1.3761  172.900   13.201  168.736   16.848  179.522   21.247   35.131   1.7915   36.077   2.2033 -0.9465866 2.839707 
1 1 1   24    9  -28 f   23.152   1.7619   73.425   10.874   77.727   17.571   70.754   13.844   23.470   2.8456   22.565   2.3171 0.9052238 3.669637 
1 1 1   24    9  -27 o   33.165   1.4220  149.023   12.666  139.044   17.479  160.060   18.382   31.820   2.0561   34.165   2.0120 -2.344307 2.876761 
1 1 1   24    9  -26 o   8.2791   2.9255   8.4702   8.1157   17.979   11.281  -1.7302   11.684   11.241   3.4263   7.2386   3.1652 4.002571 4.664536 
1 1 1   24    9  -25 o   26.269   1.4489   93.716   10.184   95.545   14.821   92.080   14.016   26.363   2.1108   25.900   2.0311 0.4630737 2.929323 
1 1 1   24    9  -24 o   26.060   1.3230   92.030   9.2296   90.283   12.903   93.861   13.208   25.692   1.8829   26.197   1.8898 -0.5050545 2.667689 
1 1 1   24    9  -23 o   43.990   1.0346  260.876   12.224  263.220   17.534  258.660   17.051   44.099   1.4803   43.722   1.4519 0.3772163 2.073514 
1 1 1   24    9  -22 o   44.666   1.1179  269.079   13.412  262.159   20.963  273.874   17.451   43.944   1.7761   44.998   1.4439 -1.053207 2.288917 
1 1 1   24    9  -21 o   32.901   1.3260  146.219   11.717  150.325   20.290  144.164   14.353   33.092   2.2970   32.577   1.6456 0.5151482 2.825658 
1 1 1   24    9  -20 o   44.321   1.0301  264.711   12.263  283.983   17.725  247.017   16.983   45.832   1.4398   42.737   1.4795 3.094814 2.064510 
1 1 1   24    9  -19 o   50.918   1.0076  349.285   13.780  331.097   19.340  368.040   19.639   49.489   1.4550   52.189   1.4010 -2.700470 2.019886 
1 1 1   24    9  -18 o   34.397   1.1909  159.584   11.002  165.779   14.334  150.700   17.165   35.010   1.5243   33.255   1.9300 1.754963 2.459346 
1 1 1   24    9  -17 o   36.747   1.4704  182.520   14.513  187.630   15.573  148.800   40.006   37.244   1.5568   31.918   4.8166 5.326080 5.061919 
1 1 1   24    9  -16 o   20.677   1.2016   57.849   6.6442   57.849   6.6442   0.0000   0.0000   20.677   1.2016  ?   ?  0.000000 1.201553 
1 1 1   24    9  -15 o   21.747   0.9206   63.667   5.3776   70.896   7.0980   53.927   8.2390   22.904   1.1576   19.912   1.5528 2.992096 1.936819 
1 1 1   24    9  -14 o   23.735   0.9509   75.842   6.0621   74.954   8.9794   76.585   8.2175   23.516   1.4284   23.791   1.2908 -0.2750702 1.925230 
1 1 1   24    9  -13 o   20.728   0.9792   57.846   5.4515   58.287   7.4096   57.326   8.0493   20.741   1.3372   20.550   1.4680 0.1911049 1.985702 
1 1 1   24    9  -12 o   17.796   1.0906   42.820   5.1874   50.103   7.0673   34.312   7.6381   19.219   1.3782   15.812   1.8324 3.406832 2.292882 
1 1 1   24    9  -11 o   37.016   0.8125  184.318   8.0776  186.281   12.172  182.774   10.798   37.174   1.2191   36.836   1.0914 0.3378563 1.636243 
1 1 1   24    9  -10 o   29.125   0.8253  114.109   6.4563  116.971   9.1848  111.312   9.0775   29.464   1.1606   28.741   1.1759 0.7228451 1.652195 
1 1 1   24    9   -9 o   6.9423   2.3219   6.1820   5.0899   3.3418   7.4940   8.6143   6.9350   6.8267   2.7199   8.1461   2.7099 -1.319368 3.839442 
1 1 1   24    9   -8 o   70.973   0.8576  677.640   16.348  711.553   26.101  655.749   20.970   72.638   1.3378   69.775   1.1189 2.862823 1.744076 
1 1 1   24    9   -7 o   30.065   0.8887  121.607   7.1761  120.114   11.241  122.634   9.3233   29.839   1.4025   30.173   1.1504 -0.3335438 1.813983 
1 1 1   24    9   -6 o   20.908   1.3638   59.198   7.6167   92.740   23.134   55.120   8.0665   25.733   3.4328   20.154   1.5009 5.579226 3.746563 
1 1 1   24    9   -5 o   69.266   0.9195  645.527   17.107  662.773   23.396  625.711   25.078   70.132   1.2420   68.118   1.3707 2.014175 1.849728 
1 1 1   24    9   -4 o   27.218   1.0085   99.712   7.3726   93.388   12.548  103.046   9.1110   26.219   1.7926   27.655   1.2266 -1.436153 2.172089 
1 1 1   24    9   -3 o   16.745   1.4273   38.093   6.3583   31.659   9.0620   44.333   8.9237   15.101   2.3075   18.007   1.8725 -2.905740 2.971673 
1 1 1   24    9   -2 o   33.609   0.8183  151.911   7.3868  152.103   10.441  151.719   10.452   33.606   1.1567   33.564   1.1594 0.4268265E-01 1.637761 
1 1 1   24    9   -1 o   10.721   1.9527   16.035   5.4156   14.035   7.8694   17.834   7.4643   10.002   2.8120   11.230   2.5348 -1.228552 3.785832 
1 1 1   24    9    0 o   21.532   1.0408   62.404   6.0190   73.439   8.8322   52.835   8.2245   23.293   1.4185   19.723   1.5654 3.569717 2.112507 
1 1 1   24    9    1 o   20.188   1.1529   55.062   6.2253   61.342   9.2235   49.808   8.4368   21.251   1.6283   19.132   1.6582 2.118994 2.324011 
1 1 1   24    9    2 o   51.059   0.8724  350.677   11.964  346.219   16.125  356.137   17.845   50.699   1.1841   51.405   1.2924 -0.7064285 1.752874 
1 1 1   24    9    3 o   85.362   0.9065  980.289   20.783  979.101   28.028  981.741   30.977   85.248   1.2241   85.333   1.3515 -0.8495331E-01 1.823460 
1 1 1   24    9    4 o   16.656   1.4404   37.699   6.3804   45.824   8.3425   26.248   9.9035   18.335   1.7139   13.625   2.7999 4.710537 3.282792 
1 1 1   24    9    5 o   34.425   0.9349  159.462   8.6445  175.275   11.556  139.367   13.026   36.070   1.1928   32.134   1.5093 3.936493 1.923702 
1 1 1   24    9    6 o   60.400   0.8086  490.653   13.117  502.591   17.891  476.777   19.289   61.094   1.0903   59.487   1.2072 1.607445 1.626708 
1 1 1   24    9    7 o   39.502   0.8040  209.861   8.5302  208.038   11.899  211.788   12.235   39.302   1.1272   39.652   1.1488 -0.3503685 1.609470 
1 1 1   24    9    8 o   11.856   1.9095   19.508   5.8744   21.036   8.2155   17.910   8.4029   12.197   2.5880   11.229   2.7967 0.9680939 3.810382 
1 1 1   24    9    9 o   45.554   0.8259  279.147   10.105  277.182   14.973  280.790   13.694   45.349   1.2293   45.657   1.1167 -0.3085556 1.660745 
1 1 1   24    9   10 o   18.837   1.3994   48.143   7.0298   48.084   9.6883   48.208   10.216   18.736   1.9540   18.739   2.0640 -0.3122330E-02 2.842242 
1 1 1   24    9   11 o   28.237   0.9394  107.314   7.1246  103.950   9.7634  111.146   10.420   27.761   1.3094   28.702   1.3517 -0.9407711 1.881874 
1 1 1   24    9   12 o   27.781   0.9442  103.889   7.0454  101.385   9.5813  106.838   10.396   27.416   1.3012   28.136   1.3756 -0.7203064 1.893512 
1 1 1   24    9   13 o   27.370   0.9666  100.855   7.1061  112.021   9.9204   89.088   10.184   28.818   1.2817   25.638   1.4852 3.179987 1.961782 
1 1 1   24    9   14 o   66.641   0.8400  597.568   15.035  599.927   21.968  595.490   20.621   66.699   1.2263   66.467   1.1550 0.2316208 1.684598 
1 1 1   24    9   15 o   36.083   0.8805  175.236   8.5332  171.681   11.500  179.593   12.729   35.682   1.1999   36.482   1.2991 -0.8001976 1.768438 
1 1 1   24    9   16 o   42.215   0.8604  239.848   9.7557  244.778   14.172  235.408   13.450   42.598   1.2387   41.780   1.1985 0.8173676 1.723589 
1 1 1   24    9   17 o   56.884   0.8325  435.448   12.720  416.037   18.249  453.789   17.739   55.535   1.2234   58.017   1.1384 -2.482319 1.671125 
1 1 1   24    9   18 o   14.453   1.7353   28.704   6.6015   33.511   9.4365   24.097   9.2385   15.503   2.3390   13.015   2.7299 2.487500 3.594879 
1 1 1   24    9   19 o   43.038   0.9562  249.461   11.053  243.566   18.064  252.989   13.975   42.420   1.5854   43.305   1.2015 -0.8849983 1.989247 
1 1 1   24    9   20 o   22.345   1.2970   67.642   7.7509   67.382   11.671   67.847   10.367   22.175   1.9803   22.302   1.7447 -0.1263714 2.639256 
1 1 1   24    9   21 o   13.298   1.8518   24.463   6.4345   36.460   9.0907   12.417   9.1089   16.221   2.1388   9.5791   3.1016 6.641480 3.767483 
1 1 1   24    9   22 o   43.201   0.9489  251.422   11.011  244.431   15.111  259.334   16.077   42.535   1.3227   43.803   1.3665 -1.268665 1.901764 
1 1 1   24    9   23 o   71.199   0.8417  682.508   16.096  685.124   22.557  679.794   22.973   71.248   1.1788   70.963   1.2053 0.2856903 1.685893 
1 1 1   24    9   24 o   61.824   0.8296  514.624   13.776  536.711   19.391  492.119   19.574   63.063   1.1448   60.370   1.2071 2.693047 1.663677 
1 1 1   24    9   25 o   12.902   1.9971   23.210   6.6969   26.343   9.0354   19.390   9.9760   13.623   2.5634   11.597   3.1300 2.026731 4.045740 
1 1 1   24    9   26 o   33.702   1.0246  153.204   9.2753  162.525   11.919  138.895   14.768   34.670   1.2800   31.918   1.7292 2.752926 2.151346 
1 1 1   24    9   27 o   20.926   1.3604   59.530   7.6048   73.684   9.8411   38.549   11.982   23.243   1.5858   16.452   2.8125 6.791550 3.228787 
1 1 1   24    9   28 f   6.6203   2.5514   4.1414   6.4112   14.946   8.6733  -8.8741   9.5193   10.226   2.9772   5.5114   2.5786 4.714446 3.938677 
1 1 1   24    9   29 o   52.085   0.8863  365.707   12.399  374.587   16.302  353.520   19.098   52.644   1.1529   51.068   1.3924 1.576710 1.807745 
1 1 1   24    9   30 o   11.400   2.4351   18.615   7.2299   12.573   9.1499   28.658   11.796   9.5536   3.1096   13.993   3.2072 -4.439608 4.467202 
1 1 1   24    9   31 o   25.150   1.1621   85.535   7.8499   83.699   10.545   87.816   11.756   24.754   1.5946   25.317   1.7394 -0.5639420 2.359682 
1 1 1   24    9   32 o   23.144   1.3270   72.833   8.2147   69.102   10.493   78.740   13.204   22.438   1.7551   23.859   2.0812 -1.421783 2.722445 
1 1 1   24    9   33 o   15.293   1.8326   32.399   7.3774   34.762   9.8118   29.325   11.190   15.685   2.4059   14.191   3.0281 1.494217 3.867495 
1 1 1   24    9   34 o   6.8459   2.6498   4.4203   6.9391 -10.7176   9.3119   23.323   10.406   5.2122   2.4725   12.619   3.0938 -7.407024 3.960435 
1 1 1   24    9   35 o   41.535   0.9564  232.848   10.670  238.120   14.473  226.570   15.792   41.919   1.2854   40.843   1.4395 1.075859 1.929928 
1 1 1   24    9   36 o   40.457   0.9466  220.939   10.286  215.891   14.138  226.616   14.993   39.896   1.3193   40.860   1.3662 -0.9643555 1.899235 
1 1 1   24    9   37 o   33.880   1.0308  155.152   9.3803  147.202   12.858  164.198   13.715   32.895   1.4553   34.738   1.4700 -1.842651 2.068485 
1 1 1   24    9   38 o   12.911   2.3455   23.846   7.8341   25.121   10.843   22.455   11.331   13.015   3.1384   12.270   3.3459 0.7445097 4.587454 
1 1 1   24    9   39 o   31.298   1.2434  133.048   10.453  131.898   14.334  134.355   15.275   30.954   1.7310   31.196   1.8311 -0.2427406 2.519752 
1 1 1   24    9   40 o   32.224   1.3271  141.501   11.486  154.684   17.231  130.957   15.410   33.373   1.9305   30.727   1.8762 2.645964 2.692019 
1 1 1   24    9   41 o   9.1497   3.0262   11.970   8.6530   13.535   11.776   10.133   12.757   9.8699   3.5200   9.2891   3.5936 0.5808630 5.030400 
1 1 1   24    9   42 f   10.612   3.4851   17.035   11.484   15.661   14.915   19.035   17.997   10.556   3.9308   11.429   4.3057 -0.8726816 5.830134 
1 1 1   24    9   43 o   9.4192   3.5426   11.926   12.173   8.0380   18.600   14.838   16.100   9.7239   4.1181   10.419   4.0353 -0.6947069 5.765610 
1 1 1   24    9   44 o   12.093   3.9829   24.279   14.994   2.7892   19.270   57.260   23.872   9.0880   4.0160   17.650   4.8747 -8.562145 6.315946 
1 1 1   24    9   45 o   22.630   2.3286   74.918   13.952   81.446   20.421   69.203   19.107   22.541   3.4853   20.674   3.5699 1.867159 4.989164 
1 1 1   24   10  -40 o   13.653   5.3669   29.610   28.816   0.0000   0.0000   29.610   28.816  ?   ?    13.653   5.3669 0.000000 5.366884 
1 1 1   24   10  -39 o   19.576   3.7981   59.419   19.250   0.0000   0.0000   59.419   19.250  ?   ?    19.576   3.7981 0.000000 3.798125 
1 1 1   24   10  -38 o   28.229   1.9035  110.552   14.348  120.548   21.065  101.899   19.598   29.004   2.7363   26.621   2.7820 2.382689 3.902192 
1 1 1   24   10  -37 f   7.8128   3.2496   3.3332   11.266  -1.5089   14.907   9.7812   17.202   8.0579   3.5480   10.149   4.0939 -2.090734 5.417341 
1 1 1   24   10  -36 o   12.076   3.0125   21.514   9.7391   10.376   12.715   37.325   15.149   9.5023   3.6097   15.721   3.6567 -6.218381 5.138256 
1 1 1   24   10  -35 o   28.756   1.3826  112.342   10.678  120.440   15.049  104.131   15.155   29.564   1.9053   27.417   2.0733 2.147682 2.815806 
1 1 1   24   10  -34 o   42.979   1.2538  250.335   14.474  253.513   19.793  246.682   21.220   43.084   1.7104   42.434   1.8618 0.6497879 2.528169 
1 1 1   24   10  -33 o   28.038   1.3731  106.692   10.341   92.558   14.373  121.859   14.889   25.861   2.0870   29.777   1.8711 -3.915819 2.802977 
1 1 1   24   10  -32 o   33.579   1.2268  152.683   11.065  147.526   15.845  157.592   15.459   32.802   1.8054   33.987   1.6934 -1.185062 2.475265 
1 1 1   24   10  -31 o   9.0767   3.5651   7.9007   12.706   36.807   17.024 -28.4459   19.090   15.584   4.0354   6.8895   3.3379 8.694139 5.236964 
1 1 1   24   10  -30 o   22.633   2.2038   71.215   13.227   94.551   16.896   34.273   21.259   26.011   2.4472   14.992   4.7262 11.01930 5.322197 
1 1 1   24   10  -29 o   22.318   1.6464   68.208   9.7993   78.741   13.675   57.092   14.049   23.830   2.1601   20.086   2.6703 3.744108 3.434611 
1 1 1   24   10  -28 f   36.019   1.4298  176.072   13.833  185.369   18.209  163.386   21.271   36.831   1.8407   34.333   2.3203 2.497948 2.961710 
1 1 1   24   10  -27 o   22.521   1.6045   69.322   9.6417   67.208   14.068   71.194   13.240   21.928   2.4295   22.652   2.2041 -0.7243233 3.280318 
1 1 1   24   10  -26 o   31.290   1.3569  132.644   11.404  142.895   19.441  127.266   14.081   32.153   2.2656   30.521   1.7248 1.632275 2.847417 
1 1 1   24   10  -25 o   17.301   1.8709   41.287   8.5553   32.798   12.150   49.635   12.049   15.050   3.1086   18.828   2.4399 -3.778030 3.951763 
1 1 1   24   10  -24 o   6.7183   2.7484   2.5009   7.8820   5.6936   11.388  -0.4347   10.920   8.4068   3.3518   7.1865   3.1017 1.220313 4.566738 
1 1 1   24   10  -23 o   57.224   0.9992  441.558   15.357  445.595   21.723  437.524   21.715   57.369   1.4098   56.843   1.4223 0.5260277 2.002582 
1 1 1   24   10  -22 o   11.880   2.5661   20.151   7.9486   20.300   11.617   20.021   10.900   11.878   3.4419   11.785   3.3081 0.9302807E-01 4.773930 
1 1 1   24   10  -21 o   38.592   1.0692  200.877   11.083  200.329   15.916  201.394   15.443   38.451   1.5411   38.564   1.4909 -0.1130486 2.144247 
1 1 1   24   10  -20 o   30.442   1.4035  125.346   11.475  122.913   20.886  126.398   13.734   29.771   2.6394   30.477   1.6843 -0.7063351 3.131008 
1 1 1   24   10  -19 o   51.204   1.0151  353.384   13.961  362.134   20.050  345.148   19.451   51.739   1.4428   50.514   1.4337 1.225651 2.033940 
1 1 1   24   10  -18 o   55.461   1.0001  414.490   14.898  412.473   21.382  416.394   20.770   55.225   1.4415   55.499   1.3934 -0.2747116 2.004857 
1 1 1   24   10  -17 f   70.328   0.8823  665.942   16.666  679.575   21.227  644.035   26.908   70.990   1.1133   69.009   1.4517 1.980354 1.829455 
1 1 1   24   10  -16 o   26.377   0.9748   93.725   6.9063   90.601   8.1653  101.579   12.946   25.916   1.1730   27.307   1.7747 -1.391251 2.127360 
1 1 1   24   10  -15 o   45.146   0.8538  274.358   10.353  280.342   14.297  267.760   15.011   45.590   1.1675   44.541   1.2548 1.049751 1.713944 
1 1 1   24   10  -14 o   30.642   0.8811  126.401   7.2515  123.208   9.1831  131.689   11.819   30.229   1.1310   31.218   1.4096 -0.9888115 1.807229 
1 1 1   24   10  -13 o   23.221   1.0881   72.677   6.7865   69.163   7.9590   82.037   12.990   22.596   1.3171   24.489   1.9922 -1.893419 2.388212 
1 1 1   24   10  -12 o   64.896   0.8123  566.706   14.159  568.832   21.136  564.976   19.070   64.939   1.2118   64.744   1.0966 0.1947937 1.634331 
1 1 1   24   10  -11 o   16.934   1.1701   38.847   5.2893   37.370   7.1481   40.633   7.8633   16.539   1.6304   17.236   1.7216 -0.6972542 2.371047 
1 1 1   24   10  -10 o   39.373   0.7954  208.565   8.4111  208.289   11.327  208.904   12.559   39.317   1.0726   39.361   1.1879 -0.4327774E-01 1.600503 
1 1 1   24   10   -9 o   58.422   0.7589  459.109   11.908  450.059   16.719  468.428   16.965   57.795   1.0770   58.964   1.0712 -1.168697 1.519022 
1 1 1   24   10   -8 o   13.689   1.4825   25.611   5.3640   23.919   7.5695   27.319   7.6023   13.080   2.2349   14.032   2.0801 -0.9527617 3.053137 
1 1 1   24   10   -7 o   43.385   0.7622  253.179   8.8822  254.317   12.724  252.098   12.405   43.446   1.0903   43.259   1.0676 0.1870384 1.526019 
1 1 1   24   10   -6 o   66.745   0.7845  599.263   14.063  599.803   19.983  598.733   19.796   66.719   1.1151   66.661   1.1056 0.5766296E-01 1.570303 
1 1 1   24   10   -5 o   22.456   1.1852   68.164   7.1234   64.989   12.288   69.771   8.7423   21.768   2.1289   22.686   1.4423 -0.9177151 2.571460 
1 1 1   24   10   -4 o   34.679   1.0728  161.998   9.9930  156.164   17.242  164.949   12.263   33.889   1.9019   34.969   1.3056 -1.080097 2.306939 
1 1 1   24   10   -3 o   34.397   1.0053  159.312   9.2878  141.212   13.022  178.056   13.251   32.333   1.4995   36.326   1.3582 -3.992706 2.023109 
1 1 1   24   10   -2 o   36.753   0.8867  181.773   8.7536  176.361   13.791  185.425   11.328   36.145   1.4205   37.096   1.1370 -0.9516258 1.819488 
1 1 1   24   10   -1 o   60.722   0.8400  496.066   13.699  524.997   21.764  477.083   17.630   62.389   1.2988   59.510   1.1030 2.879326 1.703932 
1 1 1   24   10    0 f   21.161   1.1890   60.543   6.7304   56.434   10.847   63.115   8.5822   20.297   2.0164   21.567   1.4907 -1.269897 2.507588 
1 1 1   24   10    1 o   45.399   0.8578  277.319   10.460  271.118   15.499  282.505   14.174   44.836   1.2870   45.787   1.1526 -0.9510727 1.727676 
1 1 1   24   10    2 o   37.195   0.8696  186.157   8.6877  202.485   13.411  174.351   11.404   38.747   1.2886   35.967   1.1805 2.780190 1.747618 
1 1 1   24   10    3 o   48.739   0.8761  319.657   11.469  311.207   16.556  327.453   15.902   48.036   1.2832   49.287   1.2013 -1.250862 1.757736 
1 1 1   24   10    4 o   41.304   0.8875  229.583   9.8457  234.492   14.250  225.098   13.620   41.698   1.2723   40.858   1.2410 0.8396111 1.777366 
1 1 1   24   10    5 o   40.397   0.9000  219.629   9.7649  225.043   14.034  214.547   13.596   40.847   1.2791   39.885   1.2692 0.9626160 1.801928 
1 1 1   24   10    6 o   84.893   1.0593  970.745   24.153  1008.22   34.208  933.494   34.107   86.394   1.4742   83.113   1.5279 3.281013 2.123108 
1 1 1   24   10    7 o   30.509   1.0006  125.341   8.1993  128.337   11.644  122.394   11.548   30.830   1.4061   30.106   1.4281 0.7248421 2.004169 
1 1 1   24   10    8 o   18.825   1.5270   48.210   7.6547   46.700   11.391   49.453   10.336   18.362   2.3647   18.970   2.0618 -0.6085987 3.137311 
1 1 1   24   10    9 o   13.595   1.8545   25.512   6.5953   29.280   8.8133   20.716   9.9429   14.477   2.3468   12.034   3.0671 2.443453 3.862006 
1 1 1   24   10   10 o   10.635   2.2096   15.958   6.1055   22.417   8.5012   9.0780   8.7742   12.575   2.6027   8.6235   3.0424 3.951947 4.003753 
1 1 1   24   10   11 o   7.3784   2.5237   6.8661   6.0144  -0.1440   8.4110   14.201   8.6035   6.4068   2.7429   10.067   2.9750 -3.660413 4.046527 
1 1 1   24   10   12 o   68.921   0.8498  639.306   15.732  644.547   23.087  634.763   21.494   69.118   1.2436   68.610   1.1664 0.5074921 1.704983 
1 1 1   24   10   13 o   55.302   0.8573  411.636   12.733  406.305   19.148  415.862   17.049   54.863   1.2995   55.536   1.1430 -0.6738091 1.730597 
1 1 1   24   10   14 o   8.4040   2.5480   9.7489   6.2508   11.653   8.4978   7.5036   9.2270   9.2899   2.9944   8.3125   3.0925 0.9773760 4.304661 
1 1 1   24   10   15 o   58.755   0.8079  464.566   12.749  467.487   17.847  461.522   18.219   58.881   1.1285   58.498   1.1595 0.3834305 1.618037 
1 1 1   24   10   16 o   21.959   1.3058   65.343   7.6672   64.628   10.856   66.054   10.830   21.735   1.8781   21.980   1.8517 -0.2455845 2.637410 
1 1 1   24   10   17 f   45.093   0.8274  273.702   10.022  284.587   14.044  262.408   14.305   45.935   1.1383   44.097   1.2078 1.838135 1.659675 
1 1 1   24   10   18 o   20.933   1.2610   59.375   7.0569   58.715   9.2687   60.286   10.885   20.744   1.6779   20.963   1.9558 -0.2193336 2.576884 
1 1 1   24   10   19 o   32.002   0.9427  137.967   8.1033  139.361   10.989  136.306   11.997   32.122   1.2736   31.748   1.4069 0.3737755 1.897775 
1 1 1   24   10   20 o   9.8021   2.5200   13.694   6.6714   14.484   9.6498   12.971   9.2334   10.204   3.1790   9.7370   3.1196 0.4672394 4.453958 
1 1 1   24   10   21 o   22.017   1.2818   65.719   7.5470   69.513   9.6522   59.751   12.106   22.587   1.6014   20.795   2.2009 1.792610 2.721843 
1 1 1   24   10   22 o   44.054   0.8904  261.447   10.536  260.304   13.834  263.024   16.257   43.908   1.1731   44.093   1.3727 -0.1850967 1.805664 
1 1 1   24   10   23 o   7.2629   2.6396   6.0872   6.6583   5.8909   8.4996   6.3989   10.712   7.7001   2.9451   8.3877   3.2796 -0.6876044 4.407832 
1 1 1   24   10   24 o   27.694   1.0982  103.536   8.1686  101.201   11.179  106.211   11.966   27.272   1.5323   27.924   1.6021 -0.6522217 2.216917 
1 1 1   24   10   25 o   19.125   1.5040   49.921   7.6635   51.374   9.6875   47.491   12.528   19.314   1.8917   18.356   2.6149 0.9584026 3.227453 
1 1 1   24   10   26 o   40.051   0.9331  216.323   10.037  223.307   13.121  206.469   15.585   40.637   1.2021   39.004   1.4877 1.633297 1.912660 
1 1 1   24   10   27 o   49.518   0.8454  330.475   11.244  330.475   15.589  330.476   16.235   49.437   1.1740   49.422   1.2230 0.1436996E-01 1.695317 
1 1 1   24   10   28 f   21.342   1.2982   61.924   7.4064   68.291   10.083   54.462   10.915   22.323   1.6943   19.815   2.0819 2.508198 2.684215 
1 1 1   24   10   29 o   49.988   0.8536  336.886   11.461  338.234   15.809  335.392   16.640   50.001   1.1772   49.769   1.2448 0.2320251 1.713280 
1 1 1   24   10   30 o   12.880   2.2735   23.525   7.5778   25.076   10.847   22.046   10.591   13.075   3.1303   12.253   3.1876 0.8217564 4.467599 
1 1 1   24   10   31 o   14.682   1.9338   30.019   7.4402   31.272   9.5762   28.111   11.818   14.826   2.4932   13.818   3.2404 1.008430 4.088568 
1 1 1   24   10   32 o   9.6380   2.6611   13.371   7.1153   13.010   9.3593   13.866   10.952   9.6755   3.1448   10.078   3.4058 -0.4027195 4.635648 
1 1 1   24   10   33 o   15.962   1.7639   35.211   7.4355   22.701   9.8374   51.882   11.356   12.459   2.9798   19.269   2.2358 -6.809453 3.725329 
1 1 1   24   10   34 o   44.494   0.9302  267.205   11.116  267.464   14.911  266.881   16.679   44.427   1.2496   44.327   1.4009 0.9949875E-01 1.877246 
1 1 1   24   10   35 o   36.234   1.0343  177.470   10.066  169.206   14.328  185.523   14.144   35.250   1.5133   36.940   1.4256 -1.689159 2.079005 
1 1 1   24   10   36 o   12.204   2.4377   21.440   7.7108   17.798   10.899   25.090   10.910   11.030   3.3691   13.008   3.1550 -1.978006 4.615716 
1 1 1   24   10   37 f   31.579   1.0784  135.035   9.1470  138.694   12.670  131.053   13.219   31.888   1.4793   30.919   1.5972 0.9690647 2.177007 
1 1 1   24   10   38 o   24.152   1.4476   79.913   9.3473   87.110   12.801   71.692   13.681   25.038   1.9181   22.538   2.2920 2.500395 2.988667 
1 1 1   24   10   39 o   14.128   2.5266   29.042   9.2355   25.534   11.589   35.149   15.289   12.926   3.3204   14.967   3.7971 -2.040613 5.044108 
1 1 1   24   10   40 o   24.263   1.9613   82.591   12.673   83.329   17.279   81.733   18.642   23.901   2.7411   23.471   3.0277 0.4302654 4.084208 
1 1 1   24   10   41 o   14.894   3.8299   35.915   15.407   44.590   19.954   23.110   24.244   16.176   4.4523   12.379   4.9047 3.796648 6.624077 
1 1 1   24   10   42 o   16.960   3.0444   44.014   13.359   33.430   19.689   53.043   18.185   13.812   4.5647   18.012   3.8738 -4.200060 5.986877 
1 1 1   24   10   43 o   17.684   2.7960   47.367   12.839   38.290   19.722   54.042   16.914   14.538   4.5473   18.297   3.5698 -3.758591 5.781147 
1 1 1   24   10   44 o   8.4059   3.4104   7.9111   12.012   11.916   18.612   5.0518   15.727   9.9104   4.1539   8.5981   3.7165 1.312296 5.573800 
1 1 1   24   11  -38 o   8.4486   3.7435  -0.9158   16.853   0.0000   0.0000  -0.9158   16.853  ?   ?    8.4486   3.7435 0.000000 3.743501 
1 1 1   24   11  -37 o   23.437   2.1916   77.419   13.636   93.757   19.339   61.267   19.229   25.392   2.8870   19.968   3.7223 5.423857 4.710635 
1 1 1   24   11  -36 o   28.416   1.8958  111.917   14.386  125.339   20.984  100.013   19.762   29.644   2.6639   26.355   2.8364 3.288750 3.891229 
1 1 1   24   11  -35 o   14.398   3.4918   31.317   13.365   19.477   16.424   54.528   22.995   11.740   4.1602   18.460   4.6423 -6.719512 6.233674 
1 1 1   24   11  -34 o   21.727   1.7035   64.975   9.8613   73.036   13.746   56.428   14.155   22.836   2.2713   19.863   2.7250 2.972879 3.547476 
1 1 1   24   11  -33 o   16.413   2.4955   38.314   10.655   35.211   14.093   42.456   16.279   15.352   3.4960   16.800   3.7071 -1.448408 5.095535 
1 1 1   24   11  -32 o   40.549   1.2030  222.714   13.102  212.528   19.827  230.611   17.457   39.372   1.8749   41.135   1.5800 -1.762928 2.451843 
1 1 1   24   11  -31 o   16.686   2.1301   38.940   9.3286   34.109   12.940   44.167   13.461   15.218   3.2636   17.486   2.9725 -2.267668 4.414374 
1 1 1   24   11  -30 o   36.414   1.3792  180.026   13.490  192.622   23.696  173.986   16.408   37.200   2.3842   35.694   1.7114 1.506016 2.934835 
1 1 1   24   11  -29 o   17.465   2.3257   42.893   10.639   51.281   12.771   23.877   19.230   19.036   2.5630   12.941   4.5082 6.095803 5.185811 
1 1 1   24   11  -28 o   23.408   1.5354   74.870   9.6001   81.593   13.146   67.189   14.052   24.288   2.0339   21.885   2.4316 2.403069 3.170097 
1 1 1   24   11  -27 o   21.111   1.8952   61.495   10.632   60.816   13.054   62.833   18.322   20.837   2.3750   20.757   3.4045 0.7974052E-01 4.151069 
1 1 1   24   11  -26 o   9.1265   2.9588   11.483   8.2876   19.017   11.383   2.9849   12.090   11.440   3.4317   8.0517   3.3591 3.388590 4.802109 
1 1 1   24   11  -25 o   6.1768   2.6908  -1.0330   8.3737  -3.0506   12.105   0.8186   11.596   7.1446   3.1688   7.5626   3.2287 -0.4179363 4.523933 
1 1 1   24   11  -24 o   10.398   3.1136   15.465   9.3767   11.142   16.070   17.696   11.546   10.351   4.0253   11.131   3.4789 -0.7791853 5.320354 
1 1 1   24   11  -23 o   6.4126   2.7026   0.9942   7.9490 -14.6823   11.221   16.785   11.262   5.5483   2.6548   10.891   3.4406 -5.342952 4.345781 
1 1 1   24   11  -22 o   36.679   1.0997  181.667   10.834  185.716   15.538  177.837   15.114   36.982   1.5643   36.191   1.5549 0.7905617 2.205577 
1 1 1   24   11  -21 o   21.402   1.5370   62.453   8.7762   64.155   12.492   60.793   12.333   21.529   2.1908   20.942   2.2267 0.5875473 3.123770 
1 1 1   24   11  -20 o   33.777   1.1367  154.037   10.312  165.801   15.041  143.602   14.166   34.950   1.6023   32.522   1.6217 2.428017 2.279734 
1 1 1   24   11  -19 o   5.1149   2.4162  -9.6335   8.7176 -13.6736   14.896  -7.5292   10.751   6.8742   3.2192   6.1463   2.8284 0.7278533 4.285219 
1 1 1   24   11  -18 o   52.310   0.8732  368.568   12.268  373.647   15.760  360.756   19.545   52.621   1.1151   51.631   1.4094 0.9896889 1.797174 
1 1 1   24   11  -17 o   51.159   0.8317  352.397   11.428  354.132   14.379  349.420   18.831   51.246   1.0446   50.827   1.3794 0.4193077 1.730297 
1 1 1   24   11  -16 o   12.172   1.6353   20.441   5.2111   27.364   7.9577   15.243   6.8953   13.994   2.1889   10.334   2.5093 3.659989 3.329854 
1 1 1   24   11  -15 o   13.446   1.4292   24.727   5.0825   23.967   6.5383   25.887   8.0794   13.143   1.9080   13.580   2.2970 -0.4373350 2.986052 
1 1 1   24   11  -14 o   13.815   1.6206   26.210   5.8992   24.359   6.8164   31.733   11.775   13.239   1.9776   14.880   3.0486 -1.641706 3.633872 
1 1 1   24   11  -13 o   19.713   1.2436   52.669   6.5506   48.527   9.1465   57.030   9.3861   18.815   1.8332   20.433   1.7264 -1.617628 2.518175 
1 1 1   24   11  -12 o   21.728   1.0268   63.629   5.9927   62.991   8.0510   64.422   8.9739   21.542   1.3990   21.761   1.5454 -0.2191906 2.084582 
1 1 1   24   11  -11 o   3.7751   1.7924  -6.0449   4.9153  -1.8711   6.1421 -13.4790   8.1971   5.1211   2.2650   4.5074   2.1846 0.6136470 3.146850 
1 1 1   24   11  -10 o   17.260   1.3463   40.487   6.1923   48.637   7.9990   28.298   9.7820   18.887   1.5916   14.133   2.6749 4.754514 3.112652 
1 1 1   24   11   -9 o   9.5091   2.2534   12.828   5.6673   12.769   7.3013   12.917   8.9890   9.5186   2.7200   9.7116   3.0745 -0.1929388 4.104989 
1 1 1   24   11   -8 o   28.051   0.9719  105.989   7.3228  104.791   9.4341  107.805   11.615   27.863   1.2606   28.185   1.5400 -0.3219109 1.990186 
1 1 1   24   11   -7 o   27.340   0.9154  100.645   6.7223   99.170   9.5721  102.080   9.4426   27.101   1.3150   27.500   1.2784 -0.3988914 1.834039 
1 1 1   24   11   -6 f   15.308   1.5082   31.994   6.1208   48.354   9.6415   20.950   7.9220   18.769   1.9406   12.157   2.5093 6.611448 3.172114 
1 1 1   24   11   -5 o   30.898   0.9248  128.548   7.6751  126.956   10.337  130.505   11.458   30.672   1.2548   31.083   1.3724 -0.4110413 1.859558 
1 1 1   24   11   -4 o   15.646   1.4097   33.336   5.8602   37.664   8.4544   29.334   8.1301   16.543   1.9396   14.527   2.1484 2.015304 2.894424 
1 1 1   24   11   -3 f   34.461   0.8761  159.857   8.1087  156.710   12.238  162.320   10.826   34.068   1.3374   34.695   1.1618 -0.6274185 1.771562 
1 1 1   24   11   -2 o   16.547   1.6506   37.434   7.2380   6.7265   13.908   48.840   8.4763   9.2822   3.7030   18.916   1.6860 -9.633894 4.068811 
1 1 1   24   11   -1 o   29.433   1.1121  116.777   8.7917  124.697   12.780  109.660   12.114   30.319   1.5748   28.423   1.5932 1.895319 2.240118 
1 1 1   24   11    0 o   58.163   0.8053  455.193   12.581  454.719   17.323  455.723   18.301   58.081   1.1104   58.133   1.1721 -0.5176163E-01 1.614570 
1 1 1   24   11    1 o   24.116   1.0404   78.359   6.7389   69.772   9.6332   86.588   9.4304   22.652   1.5935   25.280   1.3943 -2.628054 2.117326 
1 1 1   24   11    2 o   48.612   0.7765  317.931   10.138  317.488   14.348  318.373   14.326   48.533   1.1007   48.601   1.0975 -0.6805801E-01 1.554330 
1 1 1   24   11    3 f   15.658   1.4733   33.430   6.1232   27.618   8.8177   38.844   8.5096   14.025   2.4288   16.808   1.9194 -2.782811 3.095648 
1 1 1   24   11    4 o   51.578   0.7819  357.932   10.832  367.724   15.405  348.356   15.235   52.231   1.0981   50.834   1.1158 1.397121 1.565510 
1 1 1   24   11    5 o   23.785   1.1046   76.260   7.0564   79.507   9.4879   72.240   10.556   24.208   1.4661   23.026   1.7192 1.182140 2.259465 
1 1 1   24   11    6 f   6.7898   2.5086   5.0025   6.0510   4.8420   8.0392   5.2122   9.1907   7.3448   2.8496   7.7657   3.0374 -0.4208360 4.164833 
1 1 1   24   11    7 o   43.848   0.9361  258.911   11.025  257.835   14.806  260.249   16.517   43.707   1.2612   43.886   1.4013 -0.1784782 1.885282 
1 1 1   24   11    8 o   42.380   0.8916  241.810   10.149  245.031   12.998  236.778   16.245   42.627   1.1353   41.850   1.4452 0.7771034 1.837803 
1 1 1   24   11    9 o   30.020   1.0216  121.433   8.2375  123.571   10.510  118.028   13.265   30.252   1.2934   29.465   1.6831 0.7877960 2.122675 
1 1 1   24   11   10 o   14.732   1.6687   29.776   6.4863   22.901   8.9740   37.297   9.3859   12.676   2.7175   16.400   2.1852 -3.724224 3.487083 
1 1 1   24   11   11 o   41.428   0.8384  231.031   9.3288  226.882   12.956  235.499   13.444   41.009   1.1762   41.777   1.1981 -0.7679405 1.678986 
1 1 1   24   11   12 o   48.690   0.8463  319.138   11.068  319.152   15.891  319.124   15.423   48.628   1.2167   48.633   1.1807 -0.4886627E-02 1.695429 
1 1 1   24   11   13 o   41.625   0.8700  233.290   9.7265  227.859   13.087  239.991   14.538   41.092   1.1857   42.155   1.2840 -1.062325 1.747742 
1 1 1   24   11   14 o   22.656   1.2218   69.493   7.4075   64.525   10.525   74.368   10.427   21.721   1.8209   23.360   1.6729 -1.639742 2.472722 
1 1 1   24   11   15 o   35.718   0.9591  171.896   9.2014  186.057   13.835  160.664   12.322   37.094   1.3886   34.479   1.3305 2.614433 1.923149 
1 1 1   24   11   16 o   43.594   0.8775  255.936   10.275  254.936   13.445  257.339   15.931   43.464   1.1517   43.627   1.3595 -0.1630058 1.781795 
1 1 1   24   11   17 o   22.694   1.2083   69.740   7.3388   68.471   9.4768   71.641   11.599   22.420   1.5839   22.865   1.9061 -0.4449825 2.478309 
1 1 1   24   11   18 o   42.731   0.8986  245.982   10.313  253.009   13.740  236.913   15.609   43.288   1.1818   41.845   1.3888 1.442406 1.823521 
1 1 1   24   11   19 o   12.533   2.3250   22.201   7.5388   23.898   9.8774   19.834   11.668   12.879   2.9224   11.752   3.4622 1.127190 4.530757 
1 1 1   24   11   20 o   44.401   0.9503  265.753   11.333  265.321   13.899  266.610   19.576   44.322   1.1675   44.307   1.6450 0.1562500E-01 2.017194 
1 1 1   24   11   21 o   45.645   0.8920  280.774   10.936  293.849   14.391  262.909   16.822   46.643   1.1487   44.053   1.4217 2.590645 1.827809 
1 1 1   24   11   22 o   16.108   1.5991   35.584   6.8268   34.323   9.1688   37.152   10.227   15.661   2.2438   16.256   2.4157 -0.5949879 3.297040 
1 1 1   24   11   23 o   36.531   0.9455  179.981   9.2769  183.437   13.099  176.504   13.140   36.804   1.3251   36.095   1.3553 0.7090874 1.895501 
1 1 1   24   11   24 o   5.4872   2.3831  -0.7726   6.5277   2.0936   8.7455  -4.3783   9.8089   6.9044   2.8668   6.1898   2.7907 0.7146277 4.000813 
1 1 1   24   11   25 o   31.676   0.9841  135.424   8.3729  138.263   11.470  132.186   12.251   31.938   1.3371   31.200   1.4619 0.7378139 1.981130 
1 1 1   24   11   26 o   26.899   1.0897   97.790   7.8726   97.544   10.783   98.069   11.521   26.747   1.5071   26.791   1.6084 -0.4429245E-01 2.204202 
1 1 1   24   11   27 o   18.273   1.4715   45.658   7.1607   40.067   9.6940   52.373   10.623   16.923   2.1837   19.418   2.0687 -2.495157 3.007976 
1 1 1   24   11   28 o   11.347   2.4756   18.532   7.3326   21.705   10.530   15.544   10.217   12.149   3.1872   10.440   3.2742 1.708813 4.569274 
1 1 1   24   11   29 o   4.3663   2.1168 -12.4810   7.7084  -1.5556   11.887 -20.4086   10.126   7.2685   3.1850   4.6723   2.2988 2.596137 3.928001 
1 1 1   24   11   30 o   43.715   0.9491  257.969   11.144  253.359   15.999  262.313   15.530   43.199   1.3789   43.978   1.3147 -0.7783241 1.905244 
1 1 1   24   11   31 o   11.152   2.5886   18.002   7.6046   38.027   10.592  -3.3040   10.925   16.371   2.4869   6.7082   2.9908 9.663282 3.889665 
1 1 1   24   11   32 o   21.644   1.5821   64.174   9.1340   63.771   14.257   64.455   11.896   21.251   2.5485   21.539   2.0823 -0.2882290 3.291021 
1 1 1   24   11   33 o   6.8353   2.7853   2.9949   8.0553   10.688   11.914  -3.4831   10.933   9.4463   3.5141   6.6736   2.9824 2.772707 4.609077 
1 1 1   24   11   34 o   14.401   2.1865   29.307   8.1915   41.183   11.372   16.499   11.810   16.980   2.5741   10.750   3.5344 6.230151 4.372431 
1 1 1   24   11   35 o   33.467   1.1049  151.712   9.9316  159.115   14.250  144.719   13.850   34.130   1.5544   32.539   1.5847 1.591339 2.219790 
1 1 1   24   11   36 o   9.7386   2.8534   13.857   7.9443   12.805   10.828   15.083   11.692   9.6802   3.3823   10.322   3.5188 -0.6416588 4.880738 
1 1 1   24   11   37 o   8.7751   3.2462   9.6290   10.139   11.752   13.193   6.5669   15.846   9.7211   3.6808   9.2941   3.8589 0.4269876 5.332861 
1 1 1   24   11   38 o   23.837   1.7470   78.954   11.107   86.761   14.968   69.387   16.569   24.710   2.2811   21.705   2.9158 3.004692 3.702079 
1 1 1   24   11   39 o   23.842   2.2340   81.067   14.139   94.770   22.434   72.037   18.212   24.855   3.4539   21.820   3.2028 3.034559 4.710352 
1 1 1   24   11   40 o   13.031   4.0522   28.192   15.687   17.659   19.737   46.260   25.851   11.183   4.4270   15.696   5.2325 -4.513474 6.854020 
1 1 1   24   11   41 o   23.324   2.2197   78.486   13.738   67.617   21.331   86.188   17.958   20.079   4.0941   23.938   2.8489 -3.858887 4.987830 
1 1 1   24   11   42 o   14.519   3.4331   34.337   13.178   28.038   19.911   39.247   17.579   12.510   4.5618   14.896   4.2080 -2.386196 6.206236 
1 1 1   24   11   43 o   25.438   2.1268   93.988   14.398   98.856   20.885   89.579   19.876   24.991   3.1838   23.769   3.1942 1.221632 4.509976 
1 1 1   24   12  -37 f   16.932   5.4271   53.030   27.943   0.0000   0.0000   53.030   27.943  ?   ?    16.932   5.4271 0.000000 5.427062 
1 1 1   24   12  -36 o   33.718   1.7004  157.283   15.350  161.227   22.737  153.980   20.807   33.545   2.5425   32.914   2.3695 0.6310387 3.475419 
1 1 1   24   12  -35 o   14.401   3.5650   31.970   13.716   23.880   21.729   37.328   17.684   12.728   4.7436   15.278   4.1858 -2.549562 6.326350 
1 1 1   24   12  -34 o   24.617   2.4950   86.051   16.268  101.060   19.841   55.260   28.419   26.496   2.8318   17.964   5.4298 8.531593 6.123895 
1 1 1   24   12  -33 o   19.263   1.8679   51.515   9.5425   52.584   13.501   50.448   13.489   19.136   2.7020   18.707   2.7682 0.4283905 3.868282 
1 1 1   24   12  -32 f   26.497   1.4644   95.923   10.382   90.330   14.735  101.436   14.629   25.450   2.1766   27.042   2.0289 -1.592869 2.975535 
1 1 1   24   12  -31 o   8.9897   3.0466   10.926   8.7639   11.106   12.273   10.739   12.519   9.5862   3.5665   9.5511   3.5925 0.3503704E-01 5.062208 
1 1 1   24   12  -30 f   6.8365   2.8381   2.2036   8.5695  -0.6978   11.962   5.2626   12.283   7.3989   3.2197   8.4596   3.4424 -1.060789 4.713465 
1 1 1   24   12  -29 f   14.630   2.6638   30.786   10.082   20.291   16.063   37.607   12.950   11.974   4.1232   16.035   3.1190 -4.060963 5.170041 
1 1 1   24   12  -28 o   20.896   1.7010   60.029   9.4643   57.327   13.555   62.600   13.220   20.126   2.5660   21.119   2.3716 -0.9931355 3.494144 
1 1 1   24   12  -27 o   22.931   1.8929   72.574   11.554   59.072   13.794  104.329   21.154   20.435   2.5700   27.041   2.9609 -6.606377 3.920725 
1 1 1   24   12  -26 o   28.340   1.4676  109.503   11.133  128.612   14.692   83.733   17.062   30.609   1.7949   24.347   2.6520 6.261837 3.202291 
1 1 1   24   12  -25 o   6.8595   2.9236   0.6933   9.4791  -4.9609   11.511   12.606   16.708   6.6803   3.0165   10.644   4.1140 -3.963206 5.101410 
1 1 1   24   12  -24 o   9.3701   2.9257   12.369   8.1680   8.0104   11.532   16.757   11.571   8.8385   3.4174   10.854   3.4937 -2.015605 4.887220 
1 1 1   24   12  -23 o   6.6242   2.7433   2.0494   7.9787  -5.9755   11.208   10.293   11.360   6.4584   2.9401   9.3000   3.4370 -2.841636 4.522965 
1 1 1   24   12  -22 o   39.784   1.2427  214.297   13.279  219.269   23.019  211.817   16.257   39.864   2.1579   39.470   1.5335 0.3949394 2.647320 
1 1 1   24   12  -21 o   29.803   1.4138  120.502   11.317  117.266   19.759  122.081   13.806   28.966   2.5663   29.876   1.7278 -0.9106045 3.093764 
1 1 1   24   12  -20 o   4.7398   2.2541  -9.5399   7.8340 -22.0528   11.757   0.4531   10.506   5.1472   2.5212   7.1797   3.0695 -2.032463 3.972152 
1 1 1   24   12  -19 o   13.141   1.4212   23.674   4.9363   23.974   5.5439   22.528   10.844   13.190   1.5975   12.424   3.2225 0.7656450 3.596715 
1 1 1   24   12  -18 o   20.352   1.2052   56.183   6.5591   57.006   7.8160   54.223   12.060   20.460   1.4313   19.731   2.3201 0.7293949 2.726030 
1 1 1   24   12  -17 f   16.379   1.6383   36.799   7.1107   41.855   9.5340   30.460   10.675   17.374   2.0847   14.582   2.8275 2.791568 3.512973 
1 1 1   24   12  -16 o   27.781   0.8849  103.992   6.6032  118.020   9.1067   88.439   9.5886   29.563   1.1469   25.519   1.4044 4.044260 1.813173 
1 1 1   24   12  -15 o   32.927   0.8730  146.054   7.7207  142.211   10.042  151.611   12.075   32.454   1.1520   33.477   1.3429 -1.022961 1.769319 
1 1 1   24   12  -14 o   40.091   0.8579  216.480   9.2383  224.193   13.640  209.944   12.557   40.732   1.2468   39.428   1.1857 1.304085 1.720564 
1 1 1   24   12  -13 o   28.978   0.9406  113.161   7.3206  124.424   9.4111   95.904   11.649   30.360   1.1541   26.535   1.6426 3.824879 2.007476 
1 1 1   24   12  -12 f   54.004   0.8700  392.798   12.620  403.843   15.592  371.819   21.488   54.720   1.0609   52.386   1.5272 2.334122 1.859478 
1 1 1   24   12  -11 o   49.474   0.7641  329.423   10.153  337.332   14.190  321.126   14.533   50.014   1.0563   48.788   1.1091 1.226563 1.531640 
1 1 1   24   12  -10 o   37.179   0.8117  186.082   8.1059  188.128   11.278  183.895   11.658   37.341   1.1245   36.911   1.1759 0.4305344 1.627058 
1 1 1   24   12   -9 o   10.856   1.9497   16.515   5.4761   16.932   7.4844   16.035   8.0335   10.885   2.5964   10.588   2.7868 0.2964125 3.808913 
1 1 1   24   12   -8 o   31.675   0.9226  135.148   7.8489  131.261   11.828  138.208   10.492   31.152   1.4136   31.995   1.2209 -0.8426208 1.867855 
1 1 1   24   12   -7 o   30.928   0.8716  128.804   7.2400  135.721   10.283  122.006   10.195   31.708   1.2075   30.056   1.2629 1.651983 1.747219 
1 1 1   24   12   -6 o   32.813   0.9180  145.023   8.0903  139.823   10.705  151.949   12.354   32.180   1.2386   33.526   1.3719 -1.346012 1.848262 
1 1 1   24   12   -5 o   19.117   1.3588   49.637   6.9312   56.984   10.267   43.485   9.3953   20.387   1.8968   17.763   2.0044 2.624304 2.759545 
1 1 1   24   12   -4 o   16.394   1.6505   36.792   7.1689   39.624   9.9992   33.797   10.284   16.886   2.2614   15.498   2.5598 1.388313 3.415678 
1 1 1   24   12   -3 o   48.086   0.9780  311.552   12.631  309.203   18.177  313.747   17.565   47.818   1.4153   48.182   1.3573 -0.3633652 1.960944 
1 1 1   24   12   -2 o   12.021   2.5714   20.570   8.0515   35.022   13.649   12.857   9.9713   15.572   3.3619   9.8059   3.2488 5.765700 4.675137 
1 1 1   24   12   -1 o   39.554   1.0898  210.962   11.578  202.887   16.055  219.712   16.712   38.710   1.5442   40.283   1.5446 -1.573090 2.184099 
1 1 1   24   12    0 o   14.403   2.2323   28.964   8.3559   18.398   13.489   35.543   10.644   11.566   3.7761   15.898   2.5813 -4.331490 4.574040 
1 1 1   24   12    1 o   20.294   1.7472   56.289   9.4308   52.573   12.304   61.581   14.683   19.454   2.4060   21.005   2.6624 -1.550400 3.588483 
1 1 1   24   12    2 o   14.739   1.9047   30.010   7.3639   24.241   10.143   36.440   10.708   12.992   2.9711   16.106   2.5611 -3.114077 3.922592 
1 1 1   24   12    3 o   22.791   1.2627   70.351   7.6991   63.122   10.889   77.579   10.887   21.464   1.9087   23.855   1.7106 -2.391253 2.563033 
1 1 1   24   12    4 o   14.469   1.8184   28.868   6.9105   33.194   9.7318   24.467   9.8147   15.388   2.4357   13.070   2.8740 2.317851 3.767348 
1 1 1   24   12    5 o   7.1981   2.6540   5.7173   6.7663  -2.5256   9.5537   14.014   9.5845   6.4108   2.8306   10.073   3.1732 -3.662205 4.252214 
1 1 1   24   12    6 o   6.3113   2.6774   0.4644   7.8840   3.6838   9.4330  -6.9953   14.359   7.4934   3.0285   7.4169   3.3572 0.7645607E-01 4.521341 
1 1 1   24   12    7 o   22.694   1.3840   69.890   8.3960   77.137   9.8850   51.122   15.908   23.815   1.5539   18.923   3.2468 4.892431 3.599473 
1 1 1   24   12    8 o   36.607   0.9539  180.554   9.3793  186.671   11.800  170.060   15.457   37.190   1.1813   35.418   1.6248 1.771706 2.008861 
1 1 1   24   12    9 o   37.938   1.0138  194.015   10.331  192.749   12.322  197.011   18.953   37.784   1.2142   38.065   1.8538 -0.2810707 2.216005 
1 1 1   24   12   10 o   41.492   1.0464  232.132   11.662  240.220   14.314  216.166   20.112   42.170   1.2638   39.862   1.8784 2.307411 2.263968 
1 1 1   24   12   11 o   13.267   2.5483   24.971   8.7504   17.064   10.417   43.925   16.128   10.970   3.2811   17.390   3.5724 -6.420704 4.850486 
1 1 1   24   12   12 f   28.696   1.0629  111.061   8.1924  119.074   10.716   99.793   12.708   29.675   1.3445   27.046   1.7590 2.629257 2.213996 
1 1 1   24   12   13 o   13.057   2.0549   23.804   6.9683   21.275   8.4108   29.340   12.443   12.199   2.6434   14.211   3.3199 -2.012353 4.243715 
1 1 1   24   12   14 o   19.803   1.3652   53.301   7.2169   48.101   9.1782   61.722   11.681   18.711   1.8505   21.160   2.0823 -2.448845 2.785760 
1 1 1   24   12   15 o   16.969   1.4820   39.307   6.6867   38.399   8.8416   40.520   10.220   16.656   2.0175   17.046   2.2902 -0.3900604 3.052110 
1 1 1   24   12   16 o   10.943   2.2573   17.002   6.4148   20.856   8.4685   11.814   9.8257   12.056   2.6842   9.4740   3.2258 2.582097 4.196492 
1 1 1   24   12   17 f   14.792   1.7366   30.158   6.7680   31.584   9.1289   28.417   10.085   14.992   2.3439   14.091   2.7635 0.9012480 3.623631 
1 1 1   24   12   18 o   70.248   0.9367  665.331   17.674  660.712   24.465  670.372   25.560   69.875   1.3036   70.363   1.3525 -0.4885483 1.878416 
1 1 1   24   12   19 o   35.617   0.9266  171.046   8.8644  167.209   12.082  175.519   13.046   35.151   1.2797   35.999   1.3492 -0.8476524 1.859587 
1 1 1   24   12   20 o   19.629   1.3778   52.473   7.2182   57.762   9.7972   46.192   10.675   20.503   1.7972   18.201   2.2304 2.302572 2.864379 
1 1 1   24   12   21 o   11.916   2.1968   20.113   6.7721   21.767   9.1534   18.113   10.066   12.252   2.8374   11.173   3.1940 1.078321 4.272320 
1 1 1   24   12   22 o   11.967   2.2454   20.342   6.9524   12.180   9.2439   30.972   10.549   9.4439   3.1280   14.673   2.7786 -5.228980 4.183914 
1 1 1   24   12   23 o   32.460   0.9798  142.242   8.5427  134.418   11.522  151.793   12.730   31.477   1.3628   33.436   1.4175 -1.958878 1.966390 
1 1 1   24   12   24 o   11.897   2.2070   20.105   6.7927   29.676   9.0853   7.9737   10.229   14.450   2.4270   8.5476   3.2399 5.902057 4.048093 
1 1 1   24   12   25 o   20.463   1.4449   57.183   7.8903   47.375   11.350   66.355   10.976   18.355   2.3567   21.930   1.8817 -3.574726 3.015785 
1 1 1   24   12   26 o   14.157   2.0199   28.068   7.4625   32.606   10.850   23.994   10.280   15.031   2.7903   12.785   3.0385 2.245879 4.125305 
1 1 1   24   12   27 o   18.915   1.5486   49.044   7.7986   38.215   11.214   59.185   10.852   16.351   2.6437   20.666   1.9794 -4.314768 3.302592 
1 1 1   24   12   28 o   33.500   1.2372  152.089   11.132  143.057   16.317  159.952   15.225   32.242   1.8925   34.232   1.6559 -1.989498 2.514656 
1 1 1   24   12   29 f   5.1380   2.3682  -5.4280   7.5792 -11.3935   11.968  -1.4338   9.7931   6.0920   2.8633   6.5986   2.8912 -0.5066452 4.069122 
1 1 1   24   12   30 f   17.239   1.7014   40.989   7.7748   25.237   10.491   60.179   11.579   13.100   3.0404   20.791   2.1025 -7.690775 3.696529 
1 1 1   24   12   31 o   4.8703   2.2685  -6.2386   7.2358  -1.5414   9.8483 -11.7489   10.667   6.5904   2.8932   5.5953   2.6519 0.9951391 3.924698 
1 1 1   24   12   32 f   19.743   1.4661   53.377   7.7189   46.122   10.246   62.901   11.739   18.140   2.1443   21.242   2.0843 -3.101589 2.990361 
1 1 1   24   12   33 o   12.866   2.2434   23.624   7.4706   25.644   9.7585   20.764   11.611   13.219   2.8336   11.786   3.4486 1.433163 4.463418 
1 1 1   24   12   34 o   21.110   1.4767   61.144   8.3202   53.521   10.461   74.269   13.727   19.561   2.0201   22.970   2.2540 -3.408758 3.026767 
1 1 1   24   12   35 o   19.806   1.4680   53.934   7.7537   64.466   10.186   39.422   11.956   21.552   1.7754   16.397   2.8163 5.155203 3.329152 
1 1 1   24   12   36 o   24.665   1.5190   83.802   10.014   84.547   12.461   82.444   16.827   24.602   1.9004   23.856   2.6721 0.7468872 3.278979 
1 1 1   24   12   37 f   15.164   2.4446   33.509   9.6179   27.917   13.450   39.361   13.759   13.257   3.6581   15.983   3.3137 -2.726592 4.935787 
1 1 1   24   12   38 o   32.636   1.8167  149.069   15.862  147.335   25.054  150.228   20.491   31.374   3.0102   32.305   2.3784 -0.9309349 3.836373 
1 1 1   24   12   39 o   13.466   3.6218   29.592   13.385   5.8091   19.932   49.125   18.064   9.5404   4.1539   17.147   3.9961 -7.606991 5.763990 
1 1 1   24   12   40 o   8.4839   3.6612   4.4041   15.212 -13.0345   19.738   29.920   23.875   7.6514   3.6209   12.808   4.9271 -5.156608 6.114477 
1 1 1   24   12   41 o   29.423   2.2542  126.416   17.679   45.310   34.075  156.287   20.679   14.122   5.7388   32.581   2.3795 -18.45921 6.212534 
1 1 1   24   12   42 o   8.5418   3.7486   4.6995   16.521   0.0000   0.0000   4.6995   16.521  ?   ?    8.5418   3.7486 0.000000 3.748643 
1 1 1   24   13  -35 o   10.926   4.1002   17.017   16.289   34.400   20.883  -9.9910   26.030   14.211   4.7013   9.3222   4.3289 4.888959 6.390732 
1 1 1   24   13  -34 o   8.1228   3.3444   5.0024   11.765  -5.8890   16.886   15.277   16.400   7.9189   3.6064   10.721   4.0932 -2.802302 5.455282 
1 1 1   24   13  -33 f   24.393   2.1091   83.534   13.682   71.961   19.053   95.854   19.660   21.933   3.3397   25.666   2.9029 -3.732700 4.424943 
1 1 1   24   13  -32 o   24.752   1.6765   84.475   11.080   80.248   17.691   87.204   14.214   23.557   2.8543   24.950   2.1418 -1.393147 3.568514 
1 1 1   24   13  -31 o   12.662   2.7013   23.448   8.9068   10.362   12.627   36.405   12.565   9.4339   3.5940   15.694   3.0909 -6.259699 4.740345 
1 1 1   24   13  -30 o   7.8831   3.0725   6.1256   9.3793   13.475   12.907  -2.0991   13.653   10.150   3.6771   7.6570   3.3822 2.492889 4.996081 
1 1 1   24   13  -29 o   29.451   1.3412  117.870   10.609  119.275   15.192  116.533   14.823   29.380   1.9360   29.050   1.9104 0.3303204 2.719864 
1 1 1   24   13  -28 o   23.354   1.5952   74.768   9.9460   80.487   14.035   68.999   14.097   24.020   2.1999   22.143   2.4091 1.877348 3.262407 
1 1 1   24   13  -27 o   19.582   1.8978   53.121   9.8563   56.499   15.040   50.578   13.049   19.813   2.9132   18.835   2.6529 0.9780827 3.940133 
1 1 1   24   13  -26 o   23.161   1.6002   73.525   9.8938   79.660   14.081   67.543   13.904   23.897   2.2192   21.919   2.4011 1.978460 3.269564 
1 1 1   24   13  -25 o   21.212   1.7898   62.040   10.102   56.335   13.109   70.382   15.852   19.960   2.5000   22.250   2.7084 -2.289740 3.685830 
1 1 1   24   13  -24 o   24.953   2.1386   86.537   14.195   86.537   14.195   0.0000   0.0000   24.953   2.1386  ?   ?  0.000000 2.138646 
1 1 1   24   13  -23 o   32.881   1.2233  146.514   10.803  149.363   15.587  143.879   14.987   32.995   1.7652   32.396   1.7287 0.5991173 2.470656 
1 1 1   24   13  -22 o   48.188   1.0590  313.922   13.707  317.632   19.569  310.348   19.205   48.307   1.5082   47.755   1.4973 0.5524712 2.125208 
1 1 1   24   13  -21 o   8.4660   2.9481   9.2755   8.2230   9.7072   12.190   8.9150   11.139   9.3117   3.5351   8.9381   3.3827 0.3735781 4.892778 
1 1 1   24   13  -20 o   13.344   1.4055   24.438   4.9616   21.793   5.4767   36.552   11.719   12.536   1.6680   15.928   2.8437 -3.392533 3.296769 
1 1 1   24   13  -19 o   47.945   0.9300  310.180   11.976  315.428   15.700  302.875   18.521   48.270   1.2110   47.214   1.4605 1.055920 1.897213 
1 1 1   24   13  -18 o   6.7007   2.6456   3.7403   7.0312   1.9241   9.0700   6.4754   11.131   6.9681   2.9085   8.4514   3.3313 -1.483318 4.422307 
1 1 1   24   13  -17 o   8.3238   2.2544   9.8651   5.1648   8.2631   6.8516   11.973   7.8599   7.9443   2.6937   9.2403   2.8675 -1.296084 3.934304 
1 1 1   24   13  -16 o   43.559   0.8537  255.730   9.9881  271.058   15.406  244.616   13.119   44.745   1.2819   42.540   1.1481 2.204567 1.720909 
1 1 1   24   13  -15 o   26.192   1.0923   92.658   7.6843   90.703   11.603   94.185   10.255   25.761   1.6863   26.310   1.4569 -0.5493031 2.228486 
1 1 1   24   13  -14 o   22.832   1.0368   70.357   6.3578   72.483   8.3946   67.496   9.7367   23.094   1.3593   22.221   1.6430 0.8727818 2.132416 
1 1 1   24   13  -13 o   34.352   0.8709  159.017   8.0358  159.346   10.530  158.557   12.435   34.345   1.1415   34.220   1.3530 0.1255302 1.770157 
1 1 1   24   13  -12 o   25.145   1.0356   85.315   6.9943   94.969   8.8815   69.551   11.349   26.502   1.2477   22.504   1.8953 3.997858 2.269110 
1 1 1   24   13  -11 o   19.627   1.2580   52.297   6.5967   49.167   8.1910   58.074   11.128   18.959   1.6242   20.514   2.0470 -1.555096 2.613055 
1 1 1   24   13  -10 o   22.637   1.1400   69.369   6.9091   69.848   10.072   68.944   9.4951   22.613   1.6702   22.485   1.5823 0.1280823 2.300674 
1 1 1   24   13   -9 o   6.1908   2.4473   3.0248   6.0236   1.8505   8.8979   4.0183   8.1842   6.9311   2.8859   7.1630   2.8460 -0.2319365 4.053154 
1 1 1   24   13   -8 o   9.2275   2.4015   12.134   6.0094   5.8047   9.1088   17.012   7.9966   7.8435   3.0360   10.882   2.7382 -3.038256 4.088407 
1 1 1   24   13   -7 o   27.079   1.0924   98.949   7.9450   99.511   11.193   98.378   11.279   27.047   1.5472   26.888   1.5686 0.1596737 2.203248 
1 1 1   24   13   -6 o   8.3228   2.5131   9.6300   6.0899   8.8168   9.5248   10.192   7.9204   8.6665   3.1559   8.7450   2.8954 -0.7850266E-01 4.282897 
1 1 1   24   13   -5 o   20.559   1.1997   57.278   6.5959   45.336   10.510   65.038   8.4719   18.073   2.2113   21.869   1.4506 -3.796171 2.644656 
1 1 1   24   13   -4 o   24.290   1.1316   79.633   7.3827   75.906   12.958   81.424   8.9835   23.489   2.0751   24.495   1.3709 -1.006052 2.487101 
1 1 1   24   13   -3 o   38.006   0.8582  194.546   8.7603  200.291   13.769  190.640   11.355   38.486   1.3321   37.584   1.1248 0.9015808 1.743439 
1 1 1   24   13   -2 o   11.990   2.0437   20.140   6.3454   23.052   10.082   18.229   8.1658   12.638   3.0127   11.270   2.7271 1.367362 4.063646 
1 1 1   24   13   -1 o   36.615   0.9107  180.621   8.9564  178.186   15.168  181.925   11.098   36.255   1.5576   36.715   1.1254 -0.4604378 1.921640 
1 1 1   24   13    0 o   46.140   0.8663  286.735   10.736  298.008   18.414  280.930   13.214   46.913   1.4614   45.634   1.0781 1.278431 1.816001 
1 1 1   24   13    1 o   34.185   0.9735  157.518   8.9387  152.268   15.130  160.333   11.079   33.446   1.6897   34.457   1.1971 -1.010815 2.070767 
1 1 1   24   13    2 o   31.488   1.0376  133.711   8.7758  129.422   14.441  136.222   11.050   30.812   1.7522   31.745   1.2960 -0.9332371 2.179394 
1 1 1   24   13    3 o   41.709   0.8960  234.355   10.038  229.217   14.647  238.905   13.783   41.173   1.3245   42.055   1.2202 -0.8827896 1.800868 
1 1 1   24   13    4 o   27.845   1.0442  104.568   7.8090  106.246   11.660  103.204   10.516   27.952   1.5593   27.576   1.4247 0.3758030 2.112119 
1 1 1   24   13    5 o   14.966   1.8236   30.907   7.1788   36.865   9.9187   24.353   10.403   16.237   2.3421   12.984   3.0373 3.253466 3.835420 
1 1 1   24   13    6 o   28.575   1.0432  110.130   8.0066  110.399   11.761  109.898   10.931   28.496   1.5424   28.454   1.4349 0.4151535E-01 2.106602 
1 1 1   24   13    7 o   38.517   0.9436  199.953   9.7617  213.726   13.854  186.372   13.757   39.758   1.2974   37.110   1.3802 2.647789 1.894200 
1 1 1   24   13    8 o   19.313   1.7708   51.142   9.0832   51.261   13.626   51.046   12.186   19.071   2.7387   19.126   2.4267 -0.5489540E-01 3.659176 
1 1 1   24   13    9 o   19.553   1.5150   52.137   7.8945   53.607   11.616   50.875   10.762   19.656   2.2401   19.174   2.1256 0.4828453 3.088067 
1 1 1   24   13   10 o   13.136   1.9382   24.021   6.6330   22.119   8.4248   27.123   10.758   12.438   2.6053   13.704   3.0056 -1.265896 3.977620 
1 1 1   24   13   11 o   14.607   1.8131   29.482   6.9601   27.860   9.2436   31.606   10.577   14.007   2.5510   14.886   2.7466 -0.8788090 3.748479 
1 1 1   24   13   12 o   20.347   1.2821   56.216   6.9710   58.800   9.4946   53.193   10.268   20.721   1.7216   19.641   1.9730 1.080286 2.618498 
1 1 1   24   13   13 o   26.940   1.0483   97.950   7.5852   96.573   10.291   99.587   11.224   26.653   1.4429   27.042   1.5518 -0.3884029 2.118955 
1 1 1   24   13   14 o   7.0935   2.5789   5.8275   6.3563   10.621   8.3560  -0.7562   9.7923   8.9120   2.9750   6.7490   2.9249 2.163013 4.172068 
1 1 1   24   13   15 o   32.345   0.9704  141.134   8.4307  134.590   11.363  149.146   12.574   31.522   1.3422   33.168   1.4114 -1.645826 1.947687 
1 1 1   24   13   16 o   6.0122   2.5174   1.1228   6.8244  -0.2876   9.6470   2.5357   9.6552   6.7690   2.9184   7.2840   3.0173 -0.5149450 4.197724 
1 1 1   24   13   17 o   27.119   1.1332   99.419   8.2541   91.643   10.532  111.796   13.288   25.927   1.5191   28.581   1.7392 -2.654337 2.309231 
1 1 1   24   13   18 o   5.4751   2.3727  -0.6292   6.4430  -7.5628   8.5221   8.6218   9.8437   5.2600   2.4540   8.6298   3.1974 -3.369823 4.030557 
1 1 1   24   13   19 o   28.214   1.0618  107.563   8.0463  109.606   10.962  105.175   11.848   28.371   1.4433   27.747   1.5965 0.6236858 2.152185 
1 1 1   24   13   20 o   34.475   0.9643  160.454   8.9296  168.958   12.293  150.956   12.993   35.302   1.2965   33.329   1.4514 1.973377 1.946123 
1 1 1   24   13   21 o   13.508   2.0382   25.614   7.1651   26.376   9.5513   24.633   10.836   13.507   2.7268   12.932   3.1490 0.5749245 4.165515 
1 1 1   24   13   22 o   33.690   0.9744  153.294   8.8176  155.235   12.106  151.100   12.869   33.820   1.3327   33.339   1.4372 0.4818611 1.959969 
1 1 1   24   13   23 o   27.179   1.1051   99.940   8.0677   93.915   10.871  107.325   12.036   26.210   1.5512   28.007   1.6067 -1.797152 2.233312 
1 1 1   24   13   24 o   22.654   1.3770   69.970   8.3387   76.829   12.100   63.766   11.508   23.578   1.9275   21.435   2.0228 2.142904 2.794105 
1 1 1   24   13   25 o   8.4801   2.8775   9.6053   7.8186   4.8147   11.912   13.231   10.363   8.2850   3.3828   9.8129   3.3130 -1.527882 4.734932 
1 1 1   24   13   26 o   23.897   1.4367   77.951   9.1786   61.705   14.389   89.096   11.918   20.848   2.6281   25.457   1.7538 -4.608881 3.159502 
1 1 1   24   13   27 o   40.896   1.0615  226.196   11.660  225.212   16.389  227.204   16.591   40.664   1.5005   40.839   1.5126 -0.1748848 2.130595 
1 1 1   24   13   28 o   10.680   2.5234   16.543   7.1236   29.196   9.6351   1.2893   10.580   14.237   2.6160   7.2895   3.0973 6.947860 4.054274 
1 1 1   24   13   29 o   23.472   1.2664   74.988   7.9542   73.742   10.765   76.485   11.805   23.139   1.7449   23.519   1.8845 -0.3805714 2.568315 
1 1 1   24   13   30 o   28.478   1.2308  110.059   9.4143  116.136   12.184  101.054   14.831   29.121   1.5634   26.964   2.0636 2.157564 2.588915 
1 1 1   24   13   31 o   8.4334   2.8245   9.7171   7.5319   12.470   9.5237   5.1195   12.307   9.4626   3.1760   8.3795   3.4319 1.083141 4.676020 
1 1 1   24   13   32 o   42.143   0.9914  240.382   11.222  244.176   14.408  234.529   17.894   42.371   1.2660   41.365   1.6106 1.006004 2.048599 
1 1 1   24   13   33 f   21.744   1.4363   64.901   8.3412   61.365   10.537   70.838   13.652   20.976   1.8905   22.354   2.3070 -1.378029 2.982672 
1 1 1   24   13   34 o   34.174   1.0307  158.443   9.4609  161.220   12.554  154.793   14.394   34.342   1.3609   33.540   1.5978 0.8027725 2.098855 
1 1 1   24   13   35 o   15.448   2.4222   34.707   9.7196   37.058   13.344   32.051   14.185   15.500   3.3061   14.188   3.6883 1.312717 4.953179 
1 1 1   24   13   36 f   24.951   1.8992   87.623   12.632   92.952   19.176   83.538   16.791   24.962   2.9151   23.843   2.6676 1.118324 3.951387 
1 1 1   24   13   37 o   21.800   2.4211   69.365   13.937   55.968   21.541   79.011   18.277   17.877   4.4917   22.760   3.0680 -4.882637 5.439517 
1 1 1   24   13   38 o   19.358   2.6823   56.275   13.571   57.714   20.242   55.100   18.291   18.267   4.2119   18.170   3.8667 0.9647751E-01 5.717609 
1 1 1   24   13   39 o   14.753   4.3020   39.546   18.097   0.0000   0.0000   39.546   18.097  ?   ?    14.753   4.3020 0.000000 4.301999 
1 1 1   24   13   40 o   12.126   4.8292   28.220   23.615   0.0000   0.0000   28.220   23.615  ?   ?    12.126   4.8292 0.000000 4.829212 
1 1 1   24   14  -33 o   31.372   1.7767  137.127   14.909  134.380   22.273  139.356   20.069   30.294   2.7680   31.157   2.4171 -0.8628521 3.674801 
1 1 1   24   14  -32 o   25.931   1.9575   94.194   13.533   78.540   19.762  108.017   18.571   22.808   3.3235   27.394   2.5534 -4.585672 4.191159 
1 1 1   24   14  -31 o   13.900   2.8717   28.708   10.366   15.934   17.666   35.416   12.802   11.036   4.2399   15.311   3.2154 -4.275052 5.321177 
1 1 1   24   14  -30 o   5.6445   2.6279  -7.6765   9.6925 -25.0455   16.342   1.7492   12.038   6.2689   3.0490   7.7085   3.2904 -1.439610 4.485851 
1 1 1   24   14  -29 o   10.473   3.2323   16.101   10.002   26.953   13.658   3.5507   14.689   13.258   3.6966   8.6656   3.6641 4.592550 5.204860 
1 1 1   24   14  -28 o   25.453   1.4963   88.715   10.184   97.662   14.674   80.399   14.146   26.479   2.0800   23.948   2.2247 2.530928 3.045616 
1 1 1   24   14  -27 o   16.530   2.1058   38.374   9.1371   43.273   13.152   33.803   12.703   17.237   2.9466   15.078   3.2338 2.159293 4.374910 
1 1 1   24   14  -26 o   44.624   1.2757  270.357   15.290  284.373   27.349  263.984   18.442   45.250   2.2503   43.976   1.5613 1.273869 2.738884 
1 1 1   24   14  -25 o   7.6308   2.9590   5.7616   8.6647   6.5031   12.803   5.1350   11.769   8.7798   3.5353   8.2889   3.3710 0.4909220 4.884877 
1 1 1   24   14  -24 o   21.715   1.6685   64.836   9.6572   63.027   13.521   66.721   13.798   21.139   2.4254   21.767   2.4000 -0.6277695 3.412058 
1 1 1   24   14  -23 f   17.615   2.2446   43.654   10.378   40.977   12.757   48.891   17.845   16.797   2.9345   17.969   3.8155 -1.172132 4.813450 
1 1 1   24   14  -22 o   18.084   2.2837   46.034   10.845   39.085   13.139   60.888   19.209   16.329   3.1094   20.187   3.6784 -3.858253 4.816549 
1 1 1   24   14  -21 o   29.980   1.3906  122.201   11.198  118.341   15.117  126.894   16.667   29.277   1.9333   30.265   2.0627 -0.9875793 2.827064 
1 1 1   24   14  -20 o   8.1357   2.3461   9.4177   5.4092   7.6924   6.2524   14.551   10.785   7.6221   2.5733   10.189   3.3790 -2.567424 4.247268 
1 1 1   24   14  -19 o   39.535   0.9786  211.152   10.391  207.385   13.677  216.295   15.981   39.091   1.3026   39.857   1.4928 -0.7658119 1.981254 
1 1 1   24   14  -18 o   40.916   0.8955  225.926   9.8413  230.120   12.139  217.885   16.810   41.244   1.0958   39.982   1.5653 1.262207 1.910777 
1 1 1   24   14  -17 o   20.514   1.1403   57.127   6.2581   56.992   8.2277   57.313   9.6396   20.408   1.5117   20.394   1.7775 0.1395798E-01 2.333463 
1 1 1   24   14  -16 f   14.148   1.7313   27.734   6.4417   26.607   9.1008   28.866   9.1191   13.611   2.5839   14.225   2.4768 -0.6138058 3.579246 
1 1 1   24   14  -15 o   7.9211   2.5404   8.5920   6.1219   1.1837   8.2252   17.793   9.1664   6.5276   2.7500   11.044   3.0085 -4.516664 4.075961 
1 1 1   24   14  -14 o   3.9461   1.8834  -7.2542   5.5730 -10.0031   7.3347  -3.4997   8.5718   4.4609   2.1376   5.8399   2.6231 -1.379004 3.383749 
1 1 1   24   14  -13 o   25.827   1.1145   90.176   7.7315   83.529   11.031   96.594   10.839   24.701   1.6725   26.612   1.5228 -1.911467 2.261911 
1 1 1   24   14  -12 o   37.572   0.8991  190.374   9.0735  184.668   13.118  195.608   12.564   36.914   1.3231   38.015   1.2305 -1.100903 1.806802 
1 1 1   24   14  -11 o   22.118   1.2121   66.385   7.1735   58.171   10.118   74.687   10.172   20.555   1.8526   23.371   1.6307 -2.815641 2.468036 
1 1 1   24   14  -10 o   26.527   1.1563   95.126   8.2381  102.845   11.083   85.596   12.315   27.478   1.5074   24.970   1.8495 2.508734 2.385942 
1 1 1   24   14   -9 o   18.172   1.4167   45.045   6.8603   55.683   9.9314   35.336   9.4876   20.112   1.8595   15.868   2.2925 4.243777 2.951845 
1 1 1   24   14   -8 o   16.372   1.6046   36.776   6.9654   33.762   9.7758   39.884   9.9272   15.467   2.4336   16.894   2.2432 -1.427200 3.309754 
1 1 1   24   14   -7 o   25.304   1.0805   86.464   7.3434   87.001   11.595   86.104   9.4888   25.220   1.7220   25.165   1.4095 0.5553436E-01 2.225363 
1 1 1   24   14   -6 o   16.148   1.6643   35.830   7.1150   46.235   12.377   30.694   8.6954   18.098   2.6226   14.785   2.2615 3.312709 3.463005 
1 1 1   24   14   -5 o   24.636   1.1513   82.004   7.6178   71.487   12.914   87.617   9.4339   22.739   2.1397   25.393   1.3885 -2.653883 2.550699 
1 1 1   24   14   -4 o   13.110   1.9684   23.980   6.7170   16.481   10.557   29.081   8.7067   10.774   3.3199   14.367   2.3367 -3.592720 4.059802 
1 1 1   24   14   -3 o   56.690   0.8116  432.888   12.358  413.699   18.833  447.401   16.378   55.301   1.2679   57.572   1.0591 -2.271488 1.652096 
1 1 1   24   14   -2 o   35.791   0.8962  172.658   8.6158  161.895   13.388  180.268   11.257   34.558   1.4423   36.529   1.1473 -1.970867 1.842974 
1 1 1   24   14   -1 o   20.864   1.2693   59.094   7.0788   69.287   11.302   52.515   9.0804   22.458   1.8913   19.566   1.7462 2.891710 2.574159 
1 1 1   24   14    0 o   40.352   0.9126  219.492   9.8908  212.523   16.704  223.254   12.274   39.561   1.5721   40.657   1.1239 -1.096081 1.932524 
1 1 1   24   14    1 o   39.217   0.9203  207.332   9.6936  212.895   16.537  204.420   11.964   39.600   1.5548   38.900   1.1451 0.7001305 1.930995 
1 1 1   24   14    2 o   55.203   0.8195  410.491   12.151  404.550   18.656  414.868   16.013   54.686   1.2702   55.436   1.0754 -0.7498474 1.664287 
1 1 1   24   14    3 o   5.3881   2.4046  -2.6258   7.0816 -18.5296   11.898   6.1002   8.8128   5.4653   2.6448   7.8185   2.9968 -2.353204 3.996958 
1 1 1   24   14    4 o   32.452   1.1438  142.277   9.9697  123.596   15.145  156.564   13.244   30.037   1.8868   33.981   1.4511 -3.943768 2.380267 
1 1 1   24   14    5 o   25.405   1.3184   87.600   8.9652   92.404   15.159   85.016   11.118   25.856   2.2039   24.947   1.6689 0.9084568 2.764476 
1 1 1   24   14    6 o   33.263   1.0259  149.315   9.1652  148.365   13.264  150.182   12.678   33.067   1.4935   33.285   1.4182 -0.2187500 2.059535 
1 1 1   24   14    7 o   43.360   1.0001  253.679   11.647  242.532   20.628  258.895   14.111   42.168   1.8214   43.758   1.2006 -1.590420 2.181472 
1 1 1   24   14    8 o   23.678   1.3170   76.147   8.3428   78.111   12.275   74.462   11.373   23.830   1.9345   23.292   1.8328 0.5383778 2.664898 
1 1 1   24   14    9 o   47.219   0.9750  300.819   12.366  292.222   16.253  312.637   19.056   46.455   1.3026   47.994   1.4783 -1.538704 1.970305 
1 1 1   24   14   10 o   6.5401   2.6042   3.2902   6.8665   13.566   9.6901  -7.0729   9.7314   9.8892   3.1987   5.8031   2.6778 4.086071 4.171601 
1 1 1   24   14   11 o   28.172   1.1314  107.279   8.5614   96.184   11.797  119.623   12.444   26.526   1.6643   29.620   1.5697 -3.094383 2.287752 
1 1 1   24   14   12 o   17.841   1.7361   43.806   8.2138   32.747   11.692   54.582   11.542   15.030   3.0014   19.797   2.2082 -4.767382 3.726154 
1 1 1   24   14   13 o   41.037   0.8731  227.086   9.6234  231.689   13.107  221.703   14.175   41.382   1.1792   40.447   1.3048 0.9351959 1.758711 
1 1 1   24   14   14 o   47.969   0.8382  310.220   10.799  301.717   14.786  319.941   15.809   47.222   1.1658   48.613   1.2108 -1.390980 1.680770 
1 1 1   24   14   15 o   9.7588   2.6442   13.742   7.1030   16.708   10.030   10.757   10.061   10.748   3.2206   9.1731   3.2555 1.575305 4.579344 
1 1 1   24   14   16 f   21.151   1.3818   60.996   7.8070   55.435   9.9160   70.064   12.662   20.035   1.8641   22.456   2.1246 -2.421526 2.826472 
1 1 1   24   14   17 o   9.7629   2.5679   13.780   6.8239   15.225   9.1043   11.927   10.308   10.270   3.0664   9.4886   3.3010 0.7817640 4.505480 
1 1 1   24   14   18 o   25.745   1.1376   89.716   7.8662   84.762   10.553   95.909   11.800   24.884   1.5872   26.450   1.6695 -1.565943 2.303587 
1 1 1   24   14   19 o   26.021   1.1736   91.711   8.2025  100.597   11.513   82.550   11.690   27.113   1.5878   24.489   1.7896 2.624220 2.392448 
1 1 1   24   14   20 o   4.8592   2.2567  -5.8109   7.0766 -14.7747   9.7555   4.1443   10.281   4.9736   2.4039   7.7284   3.1477 -2.754814 3.960667 
1 1 1   24   14   21 o   18.291   1.6002   45.998   7.7823   44.482   10.847   47.607   11.172   17.758   2.3303   18.386   2.3135 -0.6283436 3.283738 
1 1 1   24   14   22 o   11.531   2.5721   19.292   7.7636   20.836   11.339   17.928   10.652   11.850   3.3908   11.062   3.3201 0.7884750 4.745540 
1 1 1   24   14   23 f   15.386   1.9948   33.114   8.0497   31.579   11.679   34.502   11.110   14.653   3.0661   15.440   2.7813 -0.7873058 4.139635 
1 1 1   24   14   24 o   21.002   1.4919   60.387   8.3609   57.218   11.863   63.516   11.786   20.208   2.2224   21.355   2.0813 -1.146889 3.044775 
1 1 1   24   14   25 o   9.7232   2.7916   13.699   7.6736   5.3778   10.894   21.892   10.810   8.1183   3.2639   12.135   3.2511 -4.017173 4.606797 
1 1 1   24   14   26 o   23.877   1.3382   77.723   8.5475   74.861   11.009   82.066   13.562   23.301   1.7724   24.279   2.1004 -0.9775696 2.748261 
1 1 1   24   14   27 o   16.391   1.8405   37.356   7.9627   38.256   10.247   35.985   12.651   16.402   2.3968   15.613   3.1259 0.7892981 3.938987 
1 1 1   24   14   28 o   4.7308   2.2092  -6.1794   6.9324  -6.0202   9.0644  -6.4036   10.760   5.6358   2.5948   6.2011   2.8447 -0.5652399 3.850346 
1 1 1   24   14   29 o   33.262   1.1105  149.992   9.9209  150.639   12.479  148.881   16.354   33.242   1.3977   32.810   1.8635 0.4318237 2.329385 
1 1 1   24   14   30 o   27.619   1.1595  103.584   8.6012  119.555   11.595   84.040   12.826   29.577   1.4595   24.557   1.9609 5.020012 2.444471 
1 1 1   24   14   31 o   11.427   2.4716   19.127   7.3654   18.227   9.5744   20.433   11.528   11.007   3.1042   11.581   3.4488 -0.5745192 4.640088 
1 1 1   24   14   32 o   10.284   2.6271   15.726   7.2827   20.935   9.5865   8.6182   11.199   11.748   3.0211   8.6858   3.3651 3.062413 4.522312 
1 1 1   24   14   33 o   21.960   1.6246   66.963   9.5146   51.542   13.912   80.517   13.042   18.608   2.8761   23.865   2.0547 -5.256250 3.534679 
1 1 1   24   14   34 o   17.295   2.6478   44.289   11.908   49.593   17.202   39.409   16.502   17.546   3.7631   15.451   3.9585 2.094766 5.461692 
1 1 1   24   14   35 o   9.5955   3.4198   13.570   11.113   15.929   16.789   11.731   14.826   10.549   4.1110   9.6310   3.8293 0.9180088 5.618150 
1 1 1   24   14   36 o   7.2476   3.3245  -4.9834   14.692   39.860   33.150 -15.9447   16.390   13.933   5.6609   6.6911   3.2034 7.241745 6.504457 
1 1 1   24   14   37 o   7.0928   3.3108  -7.9643   15.543   0.0000   0.0000  -7.9643   15.543  ?   ?    7.0928   3.3108 0.000000 3.310750 
1 1 1   24   14   38 o   8.7523   3.8473   5.1027   17.464   0.0000   0.0000   5.1027   17.464  ?   ?    8.7523   3.8473 0.000000 3.847258 
1 1 1   24   14   39 o   20.598   4.8875   85.060   26.633   0.0000   0.0000   85.060   26.633  ?   ?    20.598   4.8875 0.000000 4.887459 
1 1 1   24   15  -32 o   12.993   4.2526   28.518   17.104   28.518   17.104   0.0000   0.0000   12.993   4.2526  ?   ?  0.000000 4.252641 
1 1 1   24   15  -31 o   9.2309   3.7349   9.0118   14.364   2.3448   17.919   21.000   24.028   8.9397   3.9141   12.069   4.8489 -3.129055 6.231546 
1 1 1   24   15  -30 o   10.627   3.7866   16.491   13.624   12.238   17.157   23.750   22.414   10.245   4.1040   12.496   4.7818 -2.251295 6.301431 
1 1 1   24   15  -29 o   27.260   1.5997  102.539   11.661  103.631   19.981  101.974   14.360   26.667   2.8331   26.986   1.9954 -0.3184814 3.465235 
1 1 1   24   15  -28 o   20.893   2.0038   61.176   11.107   60.669   18.826   61.446   13.756   19.902   3.6566   20.692   2.5276 -0.7895451 4.445134 
1 1 1   24   15  -27 o   24.592   1.5594   83.144   10.247   84.049   14.625   82.272   14.361   24.422   2.2549   24.170   2.2376 0.2527695 3.176763 
1 1 1   24   15  -26 o   5.2593   2.4497  -6.9691   8.4374  -0.3623   11.960 -13.5141   11.904   7.3845   3.2164   5.8227   2.7718 1.561757 4.245913 
1 1 1   24   15  -25 o   27.904   1.5466  106.729   11.546   98.556   18.851  111.637   14.607   26.268   2.7109   28.383   1.9275 -2.115921 3.326241 
1 1 1   24   15  -24 o   19.159   1.9283   51.073   9.7882   38.112   14.985   60.718   12.927   15.855   3.6009   20.735   2.3634 -4.879349 4.307236 
1 1 1   24   15  -23 o   17.991   1.9156   45.043   9.1141   57.983   13.249   33.420   12.557   20.212   2.4934   14.996   3.2142 5.215748 4.067947 
1 1 1   24   15  -22 o   32.507   1.2460  143.431   10.879  142.882   15.305  143.991   15.467   32.225   1.7751   32.344   1.7873 -0.1198997 2.519029 
1 1 1   24   15  -21 o   8.5454   2.4069   10.487   5.7599   12.458   6.1507  -3.5646   16.422   9.2765   2.4370   8.2134   3.6639 1.063139 4.400385 
1 1 1   24   15  -20 o   14.994   1.8592   31.338   7.3269   23.503   9.0285   46.451   12.539   12.691   2.7298   17.997   2.6754 -5.306232 3.822245 
1 1 1   24   15  -19 o   24.337   1.1942   80.308   7.8059   83.787   8.8522   68.147   16.551   24.794   1.3342   21.755   2.9051 3.038893 3.196803 
1 1 1   24   15  -18 o   64.255   0.9363  557.737   16.159  535.891   19.260  609.675   29.698   62.895   1.1401   66.766   1.6561 -3.870213 2.010590 
1 1 1   24   15  -17 o   14.430   1.7389   28.909   6.6039   34.628   7.9844   16.525   11.749   15.756   1.9268   10.748   3.5250 5.008965 4.017202 
1 1 1   24   15  -16 o   32.112   0.9159  139.249   7.8998  148.869   10.474  126.554   12.032   33.144   1.1765   30.482   1.4696 2.661747 1.882494 
1 1 1   24   15  -15 o   13.113   1.9595   24.144   6.6899   19.239   9.2011   29.645   9.7441   11.436   2.9692   14.343   2.6261 -2.906775 3.963964 
1 1 1   24   15  -14 f   29.695   1.0866  119.309   8.6667  126.971   13.140  113.410   11.530   30.457   1.6121   28.819   1.4947 1.638155 2.198388 
1 1 1   24   15  -13 o   10.674   2.5112   16.503   7.0790   20.234   10.050   12.829   9.9735   11.712   3.1333   9.6612   3.2501 2.051068 4.514509 
1 1 1   24   15  -12 o   26.091   1.0781   92.071   7.5551   98.610   11.130   86.484   10.289   26.857   1.5495   25.152   1.5303 1.705402 2.177747 
1 1 1   24   15  -11 f   19.993   1.4576   54.648   7.7735   47.849   11.866   59.760   10.289   18.397   2.4631   20.800   1.8614 -2.403111 3.087318 
1 1 1   24   15  -10 o   18.039   1.5516   44.636   7.4446   42.950   11.951   45.704   9.5165   17.353   2.6480   18.137   1.9860 -0.7833099 3.309985 
1 1 1   24   15   -9 o   12.761   2.4148   23.286   7.9737   25.553   11.022   20.798   11.550   13.170   3.1569   11.882   3.4288 1.288054 4.660763 
1 1 1   24   15   -8 o   17.823   1.7250   43.769   8.1545   49.848   12.425   39.170   10.808   18.776   2.5280   16.620   2.4985 2.156364 3.554335 
1 1 1   24   15   -7 o   9.9074   2.5876   14.176   6.9609   10.956   12.182   15.737   8.4820   9.5819   3.5556   10.419   2.9159 -0.8376188 4.598311 
1 1 1   24   15   -6 o   48.515   0.8299  317.301   10.815  330.158   16.739  308.090   14.169   49.364   1.2625   47.735   1.1051 1.629280 1.677808 
1 1 1   24   15   -5 o   14.988   1.7487   31.067   6.9074   22.912   10.617   37.052   9.0957   12.489   3.1620   16.281   2.1312 -3.792185 3.813170 
1 1 1   24   15   -4 o   50.365   0.8277  341.925   11.197  336.292   17.188  346.078   14.758   49.818   1.2845   50.602   1.0858 -0.7839317 1.681955 
1 1 1   24   15   -3 o   4.7505   2.1705  -3.8846   6.1801   8.9364   9.8371 -12.2444   7.9433   8.6996   3.2012   4.4941   2.1715 4.205456 3.868225 
1 1 1   24   15   -2 o   27.156   1.0636   99.639   7.7576  102.848   12.126   97.416   10.093   27.425   1.6540   26.755   1.4095 0.6707592 2.173095 
1 1 1   24   15   -1 o   14.159   1.8177   27.821   6.7530   23.793   10.783   30.420   8.6617   12.733   3.1664   14.693   2.2679 -1.960034 3.894830 
1 1 1   24   15    0 o   20.601   1.2836   57.713   7.0671   63.845   11.118   53.556   9.1548   21.505   1.9459   19.736   1.7450 1.768236 2.613676 
1 1 1   24   15    1 o   33.864   0.9937  154.816   9.0383  177.263   15.713  143.716   11.049   36.078   1.6215   32.574   1.2629 3.503811 2.055258 
1 1 1   24   15    2 o   37.989   1.1394  195.166   11.626  195.058   16.279  195.278   16.611   37.851   1.6012   37.862   1.6334 -0.1088715E-01 2.287317 
1 1 1   24   15    3 o   23.884   1.1854   77.190   7.6046   71.126   11.942   81.326   9.8627   22.694   1.9790   24.413   1.5115 -1.718969 2.490200 
1 1 1   24   15    4 o   20.330   1.4691   56.439   7.9680   50.852   13.294   59.572   9.9543   18.924   2.6912   20.806   1.7990 -1.881403 3.237103 
1 1 1   24   15    5 o   18.516   1.5601   46.973   7.6861   53.732   13.318   43.598   9.4117   19.489   2.6098   17.715   2.0138 1.773199 3.296464 
1 1 1   24   15    6 o   35.843   0.9737  173.446   9.3738  176.905   14.983  171.222   12.016   36.055   1.5472   35.550   1.2584 0.5047226 1.994322 
1 1 1   24   15    7 o   27.667   1.1724  103.596   8.7121  103.191   13.232  103.906   11.575   27.412   1.8073   27.582   1.5689 -0.1699162 2.393332 
1 1 1   24   15    8 o   8.4565   2.7767   9.7321   7.2899   3.2682   9.9291   17.291   10.737   7.4805   3.0753   10.935   3.3446 -3.454965 4.543552 
1 1 1   24   15    9 o   23.652   1.4032   76.245   8.8739   82.754   11.872   68.003   13.358   24.526   1.8151   22.061   2.2876 2.464451 2.920248 
1 1 1   24   15   10 o   11.668   2.3190   19.474   7.0113   17.601   10.175   21.167   9.6745   10.988   3.2321   12.010   3.0061 -1.022099 4.414005 
1 1 1   24   15   11 f   5.2898   2.3701  -2.7328   6.9529 -10.1834   9.6133   5.4398   10.068   5.3741   2.5382   7.9436   3.1565 -2.569512 4.050431 
1 1 1   24   15   12 o   19.012   1.6767   49.742   8.4743   43.834   11.505   56.747   12.529   17.574   2.5086   20.089   2.3675 -2.514751 3.449381 
1 1 1   24   15   13 o   35.473   1.0470  170.152   9.9756  161.302   14.629  177.844   13.638   34.388   1.5839   36.168   1.4039 -1.780186 2.116527 
1 1 1   24   15   14 f   32.444   1.1764  142.603   10.252  141.969   14.017  143.333   15.032   32.205   1.6258   32.316   1.7382 -0.1113281 2.380014 
1 1 1   24   15   15 o   14.440   1.9545   29.173   7.3857   39.483   10.044   17.037   10.898   16.724   2.2967   10.834   3.3788 5.890582 4.085504 
1 1 1   24   15   16 o   41.229   0.9615  229.668   10.647  225.704   15.530  233.184   14.625   40.727   1.4197   41.435   1.3141 -0.7081299 1.934537 
1 1 1   24   15   17 o   10.851   2.4804   17.065   7.0713   12.342   9.5638   22.761   10.503   9.4666   3.1827   12.386   3.1498 -2.919241 4.477840 
1 1 1   24   15   18 o   27.978   1.1579  106.070   8.7009  107.464   11.817  104.420   12.859   28.013   1.5770   27.551   1.7467 0.4612141 2.353280 
1 1 1   24   15   19 o   19.911   1.4449   54.265   7.6744   47.129   10.238   63.418   11.595   18.347   2.1164   21.340   2.0481 -2.993284 2.945125 
1 1 1   24   15   20 o   18.674   1.5514   47.910   7.7105   42.312   10.334   54.939   11.581   17.314   2.2775   19.786   2.2173 -2.472036 3.178592 
1 1 1   24   15   21 o   18.435   1.6603   46.853   8.1327   45.646   11.424   48.094   11.580   17.933   2.4348   18.430   2.3960 -0.4971428 3.416011 
1 1 1   24   15   22 o   17.687   1.7400   43.272   8.1589   38.332   11.294   48.665   11.799   16.318   2.6691   18.525   2.4300 -2.206728 3.609588 
1 1 1   24   15   23 o   35.483   1.0293  170.337   9.8096  161.009   12.503  185.275   15.821   34.406   1.3530   36.815   1.6000 -2.409157 2.095392 
1 1 1   24   15   24 o   35.459   1.1459  170.444   10.914  162.079   14.391  181.768   16.744   34.443   1.5556   36.409   1.7122 -1.966549 2.313355 
1 1 1   24   15   25 o   15.857   1.9227   35.153   8.0215   42.525   9.9470   21.443   13.565   17.370   2.1801   11.963   3.7757 5.406996 4.359874 
1 1 1   24   15   26 o   3.9315   1.9209 -12.1329   6.6970  -8.0311   8.8762 -17.5537   10.204   5.3024   2.4837   4.8857   2.3835 0.4166846 3.442401 
1 1 1   24   15   27 o   12.403   2.3511   22.218   7.5460   40.994   10.372   1.1044   10.999   16.958   2.3395   7.3187   3.1350 9.639343 3.911733 
1 1 1   24   15   28 o   15.040   1.9344   31.833   7.6331   26.175   9.9922   39.761   11.828   13.263   2.8870   16.481   2.7704 -3.218110 4.001236 
1 1 1   24   15   29 o   27.102   1.1581   99.900   8.4304   95.597   11.213  105.495   12.786   26.320   1.5936   27.587   1.7344 -1.266399 2.355384 
1 1 1   24   15   30 o   11.643   2.7010   20.269   8.2830   18.553   11.612   22.046   11.819   11.009   3.4953   11.901   3.4785 -0.8919048 4.931219 
1 1 1   24   15   31 o   19.703   1.8024   54.463   9.4327   35.073   14.207   69.750   12.614   14.845   3.6002   22.126   2.1497 -7.281648 4.193163 
1 1 1   24   15   32 o   21.220   2.1713   64.577   12.201   71.022   18.129   59.240   16.497   21.480   3.2432   19.586   3.2499 1.894491 4.591327 
1 1 1   24   15   33 o   10.341   3.7484   16.338   13.414   29.821   25.770   11.328   15.710   12.949   5.0801   9.6462   3.9049 3.302959 6.407442 
1 1 1   24   15   34 o   8.6036   3.6680   5.7830   14.928   0.0000   0.0000   5.7830   14.928  ?   ?    8.6036   3.6680 0.000000 3.668029 
1 1 1   24   15   35 o   11.031   4.2388   20.267   17.658   0.0000   0.0000   20.267   17.658  ?   ?    11.031   4.2388 0.000000 4.238758 
1 1 1   24   15   36 o   11.009   4.6836   19.420   24.245   0.0000   0.0000   19.420   24.245  ?   ?    11.009   4.6836 0.000000 4.683616 
1 1 1   24   15   37 o   15.772   5.2108   55.940   25.658   0.0000   0.0000   55.940   25.658  ?   ?    15.772   5.2108 0.000000 5.210810 
1 1 1   24   16  -31 o   17.885   4.8168   59.450   23.656   59.450   23.656   0.0000   0.0000   17.885   4.8168  ?   ?  0.000000 4.816832 
1 1 1   24   16  -30 o   13.922   4.3536   33.800   18.079   33.800   18.079   0.0000   0.0000   13.922   4.3536  ?   ?  0.000000 4.353561 
1 1 1   24   16  -29 o   21.298   2.7178   67.133   15.193   74.026   18.945   54.710   25.431   21.905   3.3244   17.186   5.1235 4.719049 6.107509 
1 1 1   24   16  -28 o   13.015   3.0040   25.860   10.288   32.013   17.917   22.834   12.565   13.828   4.3357   12.019   3.6055 1.808676 5.638996 
1 1 1   24   16  -27 o   9.4837   3.3563   12.588   10.686   36.948   18.019  -0.6259   13.272   14.963   4.2722   7.6027   3.3476 7.360555 5.427509 
1 1 1   24   16  -26 f   19.237   2.3381   52.901   11.833   38.546   17.286   65.558   16.231   15.469   4.0958   21.093   2.9453 -5.624095 5.044832 
1 1 1   24   16  -25 o   17.416   2.1543   42.964   9.8626   57.153   16.171   34.560   12.445   19.584   3.1838   15.155   3.1597 4.428295 4.485572 
1 1 1   24   16  -24 o   14.131   2.5931   29.068   9.4789   38.638   14.052   21.077   12.840   15.969   3.3813   11.787   3.6663 4.181898 4.987451 
1 1 1   24   16  -23 o   17.180   2.2112   41.775   9.9665   31.254   15.499   49.191   13.014   14.152   3.9350   18.445   2.7074 -4.292490 4.776442 
1 1 1   24   16  -22 o   4.7398   2.0827  -1.0639   5.1137  -0.4360   5.6705  -3.7985   11.834   5.1402   2.2267   6.8700   3.0841 -1.729880 3.803975 
1 1 1   24   16  -21 o   21.815   1.3894   65.084   8.0984   69.232   10.510   59.021   12.706   22.381   1.7625   20.424   2.3597 1.957663 2.945292 
1 1 1   24   16  -20 o   20.770   1.3677   58.974   7.5871   58.441   8.4450   61.205   17.277   20.629   1.5352   20.369   3.2684 0.2596722 3.610951 
1 1 1   24   16  -19 o   8.9161   2.4859   11.492   6.1770   10.510   7.1522   14.376   12.254   8.6401   2.7432   10.248   3.5972 -1.607845 4.523779 
1 1 1   24   16  -18 o   30.747   0.9662  127.807   7.9788  127.184   10.192  128.795   12.823   30.606   1.2399   30.663   1.5622 -0.5747604E-01 1.994395 
1 1 1   24   16  -17 o   11.709   2.2441   19.651   6.8009   14.579   9.5172   24.944   9.7218   10.051   3.1613   13.026   2.8573 -2.974781 4.261217 
1 1 1   24   16  -16 f   17.335   1.6048   41.426   7.3871   54.819   10.370   27.627   10.526   19.841   1.9721   13.692   2.9491 6.148232 3.547745 
1 1 1   24   16  -15 o   25.698   1.2424   89.661   8.5752  105.278   11.280   68.279   13.199   27.733   1.5202   22.049   2.2607 5.683350 2.724244 
1 1 1   24   16  -14 o   30.490   1.1275  125.968   9.2335  138.986   12.420  109.886   13.805   31.935   1.4480   28.218   1.8314 3.717054 2.334691 
1 1 1   24   16  -13 o   22.163   1.3751   67.081   8.1450   61.256   10.489   75.927   12.926   21.022   1.8774   23.342   2.0838 -2.319241 2.804782 
1 1 1   24   16  -12 o   36.151   1.0232  176.787   9.9351  174.284   14.990  178.748   13.268   35.723   1.5623   36.250   1.3627 -0.5268021 2.073090 
1 1 1   24   16  -11 o   14.297   2.0014   28.702   7.4749   25.026   10.673   32.242   10.472   12.987   3.1022   14.922   2.7129 -1.934633 4.121049 
1 1 1   24   16  -10 o   20.153   1.3559   55.465   7.2966   58.350   10.746   52.997   9.9391   20.486   1.9775   19.535   1.9190 0.9509983 2.755563 
1 1 1   24   16   -9 o   25.226   1.2297   86.334   8.3319   81.555   13.940   88.989   10.392   24.174   2.1701   25.499   1.5244 -1.325060 2.652001 
1 1 1   24   16   -8 o   8.0028   2.7819   8.3217   7.3201   7.2700   10.356   9.3718   10.349   8.3756   3.2385   8.8449   3.2781 -0.4693184 4.608019 
1 1 1   24   16   -7 o   16.456   1.8008   37.557   7.8294   44.975   10.764   29.224   11.409   17.861   2.2970   14.067   3.1030 3.793899 3.860700 
1 1 1   24   16   -6 o   24.921   1.2125   84.207   8.1161   87.403   11.940   81.461   11.065   25.194   1.7759   24.342   1.7032 0.8511791 2.460603 
1 1 1   24   16   -5 o   32.950   0.9787  146.715   8.6621  142.913   13.174  149.610   11.497   32.381   1.5147   33.198   1.2893 -0.8172913 1.989155 
1 1 1   24   16   -4 o   34.077   0.9632  156.889   8.8157  156.708   13.645  157.018   11.550   33.915   1.4979   34.018   1.2641 -0.1035957 1.959995 
1 1 1   24   16   -3 o   18.694   1.4699   47.863   7.3207   39.944   11.429   53.373   9.5332   16.702   2.6350   19.647   1.8275 -2.944647 3.206764 
1 1 1   24   16   -2 o   26.222   1.1678   93.148   8.2246   95.860   13.423   91.518   10.407   26.347   1.9098   25.876   1.5038 0.4704247 2.430839 
1 1 1   24   16   -1 o   41.136   0.9422  228.536   10.410  222.001   17.705  231.989   12.870   40.315   1.6350   41.386   1.1579 -1.070427 2.003488 
1 1 1   24   16    0 o   10.700   2.7145   16.697   7.8137   9.0482   15.090   19.499   9.1334   9.7076   3.8621   11.520   2.9415 -1.812619 4.854744 
1 1 1   24   16    1 o   32.862   1.1797  146.314   10.412  156.890   15.936  138.435   13.754   33.803   1.7613   31.804   1.6155 1.999586 2.389941 
1 1 1   24   16    2 o   32.433   1.1312  142.420   9.8545  137.442   19.191  144.203   11.484   31.392   2.2919   32.589   1.3120 -1.196920 2.640857 
1 1 1   24   16    3 o   8.0090   2.8818   7.9191   7.9093   20.513   15.671   3.6141   9.1619   11.952   4.0737   7.3007   2.9722 4.651151 5.042779 
1 1 1   24   16    4 o   19.341   1.5677   51.352   8.0737   48.814   14.200   52.565   9.8144   18.350   2.9837   19.472   1.9008 -1.122641 3.537757 
1 1 1   24   16    5 o   6.3672   2.6738   1.3470   7.7354 -12.9596   14.334   7.2248   9.1880   6.6787   3.1373   8.1077   3.0712 -1.429006 4.390361 
1 1 1   24   16    6 o   30.310   1.2298  124.604   10.012  131.782   19.072  121.873   11.763   30.705   2.3299   29.915   1.4640 0.7898140 2.751667 
1 1 1   24   16    7 o   31.533   1.0446  134.495   8.8469  124.371   13.624  141.878   11.633   30.104   1.6918   32.312   1.3404 -2.208300 2.158478 
1 1 1   24   16    8 o   34.008   1.0177  156.391   9.2959  159.707   14.383  154.012   12.182   34.207   1.5655   33.661   1.3474 0.5451775 2.065492 
1 1 1   24   16    9 o   4.9137   2.2833  -5.9652   7.2608  -8.2191   9.8757  -3.3134   10.712   5.6802   2.6472   6.6069   2.9524 -0.9267201 3.965388 
1 1 1   24   16   10 o   8.3918   2.9449   9.1409   8.2129   17.387   11.228  -0.3481   12.045   10.921   3.4335   7.4495   3.2362 3.471859 4.718261 
1 1 1   24   16   11 o   16.421   1.8620   37.514   8.0673   41.594   10.878   32.528   12.026   17.104   2.4368   14.835   3.1171 2.268172 3.956603 
1 1 1   24   16   12 o   33.327   1.0982  150.406   9.8307  160.905   13.498  138.547   14.346   34.360   1.4626   31.765   1.6875 2.595203 2.233149 
1 1 1   24   16   13 o   37.591   1.2805  191.945   12.929  194.219   15.777  187.298   22.558   37.710   1.5577   36.606   2.3061 1.104073 2.782847 
1 1 1   24   16   14 o   15.180   1.9068   32.191   7.6025   36.780   10.993   27.985   10.525   15.975   2.6552   13.794   2.9313 2.181204 3.955075 
1 1 1   24   16   15 o   9.1873   2.7853   12.117   7.4695   18.429   10.535   5.7342   10.593   11.159   3.2904   8.0921   3.2306 3.067098 4.611255 
1 1 1   24   16   16 f   16.788   1.8399   39.191   8.1604   27.684   11.974   49.170   11.151   13.584   3.3119   18.673   2.2701 -5.088384 4.015168 
1 1 1   24   16   17 o   13.576   2.1226   26.093   7.4863   28.645   9.2057   21.110   12.864   14.101   2.5233   11.887   3.6651 2.213353 4.449688 
1 1 1   24   16   18 o   15.211   1.9119   32.343   7.6384   37.226   9.7394   24.540   12.312   16.201   2.3030   12.750   3.4923 3.451199 4.183300 
1 1 1   24   16   19 o   10.317   2.8487   15.619   8.1539   15.932   9.7293   14.882   14.946   10.439   3.1819   10.679   3.9432 -0.2404470 5.066931 
1 1 1   24   16   20 o   13.938   2.1850   27.577   7.9113   30.004   9.9207   23.339   13.112   14.378   2.6671   12.419   3.6734 1.958855 4.539480 
1 1 1   24   16   21 o   19.330   1.7664   51.745   9.0693   83.645   12.286   13.550   13.444   24.569   1.8760   10.200   3.7440 14.36897 4.187733 
1 1 1   24   16   22 o   26.198   1.2802   93.333   9.0078   81.052   12.570  106.296   12.914   24.141   1.9554   27.760   1.7408 -3.619093 2.618065 
1 1 1   24   16   23 o   16.799   1.8168   39.315   8.0673   48.231   10.126   23.821   13.349   18.533   2.0695   12.482   3.7099 6.051268 4.248055 
1 1 1   24   16   24 o   8.3465   2.7564   9.6855   7.1798   18.377   9.4806  -2.0034   10.994   11.082   3.0762   6.8335   3.0259 4.248823 4.314991 
1 1 1   24   16   25 o   14.083   2.0474   28.126   7.5174   38.926   9.9566   13.807   11.465   16.503   2.3095   9.9314   3.4798 6.571727 4.176436 
1 1 1   24   16   26 f   7.8578   2.7713   8.1338   7.2798   10.851   9.5648   4.3923   11.223   8.9511   3.1745   7.8922   3.2598 1.058828 4.550171 
1 1 1   24   16   27 o   10.799   2.5208   17.276   7.1785   12.837   9.5127   23.147   10.940   9.4314   3.1742   12.254   3.2651 -2.822545 4.553703 
1 1 1   24   16   28 o   13.007   2.4805   24.931   8.3497   25.845   11.455   23.894   12.197   12.878   3.2974   12.305   3.5153 0.5722437 4.819795 
1 1 1   24   16   29 o   16.392   2.1945   38.739   9.4197   40.595   14.994   37.529   12.107   15.945   3.5877   15.701   2.9800 0.2441206 4.663864 
1 1 1   24   16   30 o   10.768   3.4416   18.302   11.244   24.522   25.754   16.837   12.497   12.343   4.9985   10.437   3.6345 1.905707 6.180188 
1 1 1   24   16   31 o   12.582   3.8610   26.724   14.296 -37.9800   31.398   43.645   16.056   8.3169   4.0832   16.210   3.7607 -7.892564 5.551151 
1 1 1   24   16   32 o   14.929   3.3944   36.322   13.303   71.560   29.857   27.593   14.860   18.360   5.5691   12.615   3.9474 5.745537 6.826217 
1 1 1   24   16   33 o   10.014   4.1354   13.938   18.056   0.0000   0.0000   13.938   18.056  ?   ?    10.014   4.1354 0.000000 4.135410 
1 1 1   24   16   34 o   12.294   4.9357   30.700   24.877   0.0000   0.0000   30.700   24.877  ?   ?    12.294   4.9357 0.000000 4.935745 
1 1 1   24   17  -29 o   10.054   4.0674   13.866   17.034   13.866   17.034   0.0000   0.0000   10.054   4.0674  ?   ?  0.000000 4.067398 
1 1 1   24   17  -28 o   12.839   4.3307   28.891   17.708   28.891   17.708   0.0000   0.0000   12.839   4.3307  ?   ?  0.000000 4.330699 
1 1 1   24   17  -27 o   10.051   3.7404   14.716   13.500   17.117   18.250   11.815   20.064   10.872   4.2718   10.293   4.3135 0.5786753 6.070776 
1 1 1   24   17  -26 o   25.482   1.8811   91.389   12.784   80.958   20.038   98.549   16.601   22.886   3.3599   26.105   2.3944 -3.219715 4.125784 
1 1 1   24   17  -25 o   5.5252   2.6462 -13.3626   11.206 -27.9253   17.518  -3.2773   14.578   6.3044   3.0858   7.5578   3.4053 -1.253437 4.595450 
1 1 1   24   17  -24 o   14.197   2.8366   30.154   10.438   35.511   17.950   27.417   12.830   14.638   4.2891   13.205   3.5436 1.433518 5.563558 
1 1 1   24   17  -23 o   32.016   1.4621  140.534   12.573  176.193   22.596  124.544   15.131   35.170   2.4065   29.879   1.8953 5.291296 3.063267 
1 1 1   24   17  -22 o   23.145   2.0702   75.305   12.733   44.500   34.604   80.129   13.694   15.799   5.9661   23.832   2.1629 -8.032791 6.346108 
1 1 1   24   17  -21 o   16.264   1.5991   36.648   6.8952   34.066   8.2388   42.684   12.598   15.534   2.0227   17.045   2.8525 -1.511689 3.496865 
1 1 1   24   17  -20 f   19.815   1.3479   53.774   7.1308   48.214   8.5484   66.494   12.930   18.640   1.7270   21.690   2.2523 -3.049400 2.838192 
1 1 1   24   17  -19 o   6.9848   2.6827   5.0592   7.0714   0.9820   9.9384   9.2399   10.064   6.9827   2.9853   8.6939   3.2306 -1.711236 4.398715 
1 1 1   24   17  -18 o   24.572   1.2584   82.314   8.2772   97.867   11.849   67.489   11.568   26.655   1.6633   21.997   1.9792 4.658381 2.585269 
1 1 1   24   17  -17 f   17.277   1.6535   41.289   7.5795   42.389   10.915   40.265   10.534   17.231   2.4256   16.795   2.4036 0.4355946 3.414772 
1 1 1   24   17  -16 o   31.677   1.0422  135.880   8.8674  139.004   12.910  133.090   12.201   31.895   1.5070   31.228   1.4547 0.6676006 2.094525 
1 1 1   24   17  -15 o   6.6807   2.6046   4.2187   6.7415  -3.9796   9.2040   13.708   9.9020   5.9628   2.6944   9.8214   3.2367 -3.858626 4.211461 
1 1 1   24   17  -14 o   26.770   1.1544   97.210   8.3007  107.250   12.164   88.460   11.356   27.937   1.6281   25.345   1.6776 2.591616 2.337766 
1 1 1   24   17  -13 o   8.1079   2.7272   8.9121   7.0221   12.514   9.6036   4.7741   10.294   9.4759   3.1893   7.8084   3.1609 1.667462 4.490294 
1 1 1   24   17  -12 o   28.683   1.1252  111.539   8.6685  110.634   11.933  112.551   12.613   28.398   1.5706   28.614   1.6482 -0.2154446 2.276664 
1 1 1   24   17  -11 o   9.0057   2.7493   11.638   7.2594   2.3724   11.503   17.771   9.3584   7.6971   3.2479   10.950   3.0623 -3.252759 4.463915 
1 1 1   24   17  -10 f   10.245   2.8529   15.418   8.1402   13.238   15.291   16.281   9.6161   10.397   3.9564   10.522   3.1536 -0.1248198 5.059484 
1 1 1   24   17   -9 o   20.821   1.5325   59.538   8.5098   57.852   11.319   61.729   12.906   20.326   2.1038   20.905   2.3386 -0.5790195 3.145607 
1 1 1   24   17   -8 o   27.289   1.2367  101.141   9.0645  103.781   12.128   97.799   13.644   27.476   1.6510   26.560   1.9257 0.9167213 2.536566 
1 1 1   24   17   -7 o   26.423   1.2979   94.925   9.2114   85.679   12.075  107.798   14.247   24.895   1.8184   27.897   1.9129 -3.002314 2.639292 
1 1 1   24   17   -6 f   18.687   1.8427   48.493   9.1285   46.429   11.312   52.348   15.456   18.083   2.3876   18.861   3.1630 -0.7783318 3.962948 
1 1 1   24   17   -5 o   36.463   1.2747  180.677   12.484  174.204   15.732  191.682   20.513   35.666   1.6423   37.153   2.0637 -1.487209 2.637416 
1 1 1   24   17   -4 o   31.020   1.0323  130.229   8.6005  132.395   13.331  128.684   11.257   31.069   1.6029   30.747   1.3630 0.3218307 2.104110 
1 1 1   24   17   -3 o   19.982   1.5237   54.827   8.1160   46.002   13.172   60.227   10.304   17.806   2.8504   20.839   1.8605 -3.033466 3.403870 
1 1 1   24   17   -2 o   23.340   1.2721   74.228   7.9445   86.421   11.999   64.711   10.601   25.015   1.7979   21.613   1.8438 3.402372 2.575235 
1 1 1   24   17   -1 o   20.659   1.5105   58.559   8.3234   67.463   11.588   49.069   11.963   22.020   1.9805   18.572   2.4586 3.448193 3.157083 
1 1 1   24   17    0 o   34.680   0.9675  162.618   9.0122  157.795   13.658  166.336   11.994   34.003   1.4955   34.987   1.2763 -0.9841957 1.966078 
1 1 1   24   17    1 o   18.364   1.4870   46.303   7.2714   41.843   10.977   49.790   9.7064   17.130   2.4561   18.908   1.9387 -1.777729 3.129090 
1 1 1   24   17    2 o   24.646   1.2446   82.698   8.2125   74.347   13.070   88.147   10.557   23.061   2.1342   25.352   1.5579 -2.290150 2.642378 
1 1 1   24   17    3 o   18.213   1.7403   45.915   8.4099   26.874   15.126   54.435   10.118   13.239   3.9523   19.781   1.9290 -6.541857 4.397930 
1 1 1   24   17    4 o   16.392   1.8181   37.373   7.8698   47.136   12.997   31.722   9.8885   18.064   2.7670   14.830   2.5760 3.234223 3.780474 
1 1 1   24   17    5 o   36.431   0.9689  179.464   9.4804  167.658   14.085  189.243   12.819   35.047   1.4963   37.316   1.2790 -2.268841 1.968414 
1 1 1   24   17    6 f   7.7342   2.8372   7.1669   7.7187   19.964   12.916   0.0576   9.6268   11.598   3.6868   6.7502   2.9128 4.847809 4.698615 
1 1 1   24   17    7 o   27.221   1.2183  100.602   8.9078  103.225   14.411   98.980   11.332   27.266   1.9813   26.859   1.5777 0.4076328 2.532737 
1 1 1   24   17    8 o   17.179   1.7237   40.880   7.8460   41.361   10.724   40.327   11.510   17.041   2.4102   16.726   2.6503 0.3146973 3.582331 
1 1 1   24   17    9 o   11.505   2.5621   19.306   7.7143   25.645   10.482   11.817   11.394   13.140   3.0317   9.5424   3.4552 3.598068 4.596725 
1 1 1   24   17   10 f   29.088   1.2290  114.912   9.6016  126.435   12.605   98.981   14.821   30.374   1.5502   26.644   2.0877 3.730076 2.600252 
1 1 1   24   17   11 o   43.588   1.2380  258.081   14.494  248.049   15.985  304.435   34.361   42.667   1.3949   46.221   2.7807 -3.553978 3.110967 
1 1 1   24   17   12 o   11.585   2.9787   19.927   9.3201   18.462   11.034   23.575   17.410   11.152   3.3863   12.558   4.2938 -1.406419 5.468443 
1 1 1   24   17   13 o   38.203   1.1381  197.916   11.678  203.964   16.075  191.158   16.993   38.624   1.5496   37.326   1.6949 1.297298 2.296530 
1 1 1   24   17   14 o   6.5771   2.8642  -0.6473   9.4814   20.032   12.314 -30.7607   14.859   11.582   3.5883   5.5271   2.7317 6.054805 4.509815 
1 1 1   24   17   15 o   8.4533   2.8623   9.7109   7.7360   0.6552   10.821   19.176   11.063   7.2144   3.1005   11.338   3.3791 -4.123110 4.586043 
1 1 1   24   17   16 o   7.6174   2.7895   6.9872   7.4565   6.8156   10.621   7.1540   10.470   8.2949   3.2591   8.3326   3.2467 -0.3767586E-01 4.600277 
1 1 1   24   17   17 f   7.9823   2.8230   8.2184   7.5587   15.941   10.763   0.7043   10.617   10.463   3.3698   7.1545   3.0729 3.308742 4.560473 
1 1 1   24   17   18 o   24.023   1.2765   78.723   8.2069   83.364   11.010   72.920   12.311   24.588   1.6772   22.851   2.0269 1.737246 2.630847 
1 1 1   24   17   19 o   13.489   2.0909   25.832   7.3302   22.812   9.5623   30.135   11.415   12.381   2.9224   14.204   3.0807 -1.822713 4.246354 
1 1 1   24   17   20 f   13.904   2.2542   27.673   8.1301   37.958   11.637   17.867   11.363   16.101   2.7921   10.949   3.4556 5.152247 4.442687 
1 1 1   24   17   21 o   35.444   1.1268  170.597   10.727  166.460   14.381  175.787   16.107   34.846   1.5365   35.739   1.6779 -0.8929710 2.275131 
1 1 1   24   17   22 o   15.379   1.8830   33.237   7.6154   32.541   10.188   34.119   11.464   14.911   2.6405   15.145   2.9240 -0.2340708 3.939841 
1 1 1   24   17   23 o   19.217   1.5463   51.058   7.9138   49.525   10.635   52.959   11.846   18.675   2.1602   19.231   2.3418 -0.5557213 3.185930 
1 1 1   24   17   24 o   18.903   1.6182   49.625   8.1367   42.692   11.042   57.865   12.037   17.151   2.4679   20.118   2.2671 -2.966875 3.351136 
1 1 1   24   17   25 o   5.0366   2.3177  -4.5406   7.2187  -6.5879   9.2225  -1.3024   11.599   5.5434   2.5750   7.0159   3.1073 -1.472563 4.035570 
1 1 1   24   17   26 o   9.6976   3.0313   14.235   8.7655   18.163   12.882   10.847   11.961   10.824   3.6936   9.1523   3.4953 1.672163 5.085226 
1 1 1   24   17   27 o   11.083   3.2794   19.397   10.448   18.362   17.865   19.934   12.880   11.045   4.2584   11.161   3.6922 -0.1162472 5.636133 
1 1 1   24   17   28 o   10.826   3.3238   18.701   10.593   11.843   18.167   22.233   13.039   9.9773   4.1364   11.619   3.7055 -1.642014 5.553357 
1 1 1   24   17   29 o   29.822   2.0522  127.695   16.338  150.800   33.750  120.623   18.672   29.309   4.4251   28.588   2.4555 0.7201805 5.060684 
1 1 1   24   17   30 o   13.202   4.0973   31.285   16.047   42.590   28.908   26.249   19.293   13.982   5.4095   12.014   4.4713 1.967419 7.018199 
1 1 1   24   17   31 o   11.297   3.9769   22.538   14.984   74.650   28.704   3.0173   17.568   18.509   5.4240   8.5010   3.7911 10.00753 6.617610 
1 1 1   24   18  -28 o   26.232   4.3458  124.500   29.547  124.500   29.547   0.0000   0.0000   26.232   4.3458  ?   ?  0.000000 4.345818 
1 1 1   24   18  -27 o   15.059   4.2354   41.303   17.849   41.303   17.849   0.0000   0.0000   15.059   4.2354  ?   ?  0.000000 4.235413 
1 1 1   24   18  -26 o   6.2223   3.0504 -26.0013   17.325 -26.0013   17.325   0.0000   0.0000   6.2223   3.0504  ?   ?  0.000000 3.050447 
1 1 1   24   18  -25 o   17.514   2.8796   46.941   13.075   54.425   17.165   36.596   20.180   18.266   3.6266   14.094   4.6196 4.172211 5.873066 
1 1 1   24   18  -24 o   13.170   3.5146   28.169   12.664   30.487   17.219   25.439   18.689   13.266   4.2611   12.247   4.4266 1.019743 6.144265 
1 1 1   24   18  -23 o   8.3904   3.3498   7.6345   11.389   16.269   17.761   1.6058   14.841   10.745   4.2168   8.1498   3.5653 2.595138 5.522017 
1 1 1   24   18  -22 o   26.487   1.6243   97.483   11.500   90.997   19.056  101.198   14.422   24.686   2.9313   26.746   2.0226 -2.059586 3.561358 
1 1 1   24   18  -21 o   14.235   3.1410   31.103   11.687 -12.5600   29.217   39.420   12.752   9.6223   4.5069   16.122   3.0567 -6.499825 5.445707 
1 1 1   24   18  -20 o   25.242   1.7840   88.806   12.017   98.530   26.905   86.382   13.432   24.734   4.2001   24.758   2.0380 -0.2360153E-01 4.668476 
1 1 1   24   18  -19 o   20.679   1.6875   59.404   9.2907   53.057   13.068   65.890   13.211   19.098   2.6164   21.475   2.3276 -2.376923 3.501870 
1 1 1   24   18  -18 o   24.723   1.3348   83.703   8.8305   81.579   13.936   85.127   11.414   24.023   2.1837   24.774   1.7262 -0.7505054 2.783590 
1 1 1   24   18  -17 o   17.987   1.7894   45.118   8.5298   42.936   11.381   47.916   12.885   17.231   2.5348   18.121   2.7323 -0.8896255 3.727014 
1 1 1   24   18  -16 o   37.213   0.9668  187.520   9.6635  192.947   14.202  182.842   13.187   37.576   1.4072   36.608   1.3411 0.9682198 1.943938 
1 1 1   24   18  -15 o   18.306   1.5837   46.294   7.7101   50.408   10.516   41.512   11.338   18.913   2.1059   16.947   2.5716 1.965879 3.323893 
1 1 1   24   18  -14 o   39.893   0.9282  215.283   9.9460  205.595   14.528  223.830   13.645   38.810   1.3937   40.557   1.2526 -1.747459 1.873876 
1 1 1   24   18  -13 o   21.458   1.3988   63.093   8.0181   57.916   11.244   68.449   11.437   20.306   2.0916   22.156   1.9415 -1.849665 2.853772 
1 1 1   24   18  -12 o   9.7582   2.8624   13.964   7.9904   29.521   13.132   4.8195   10.069   13.884   3.5175   7.7344   3.1278 6.149554 4.706983 
1 1 1   24   18  -11 o   9.4944   2.6911   13.185   7.1770   17.959   10.256   8.6029   10.047   10.971   3.2497   8.5457   3.2176 2.425612 4.573080 
1 1 1   24   18  -10 o   19.379   1.5986   51.792   8.2462   43.873   12.679   57.597   10.856   17.350   2.8174   20.290   2.0188 -2.939844 3.466031 
1 1 1   24   18   -9 o   7.1979   2.8677   4.4690   8.3306   3.2554   12.155   5.5439   11.440   7.9947   3.3542   8.2211   3.3307 -0.2264733 4.726977 
1 1 1   24   18   -8 o   36.373   1.0061  179.106   9.8295  182.964   15.670  176.604   12.621   36.541   1.5966   36.020   1.3046 0.5213318 2.061810 
1 1 1   24   18   -7 f   28.710   1.1796  111.915   9.0960  110.849   14.044  112.686   11.938   28.289   1.8587   28.653   1.5571 -0.3640766 2.424746 
1 1 1   24   18   -6 o   25.437   1.2092   87.904   8.2616   91.937   12.196   84.482   11.231   25.789   1.7714   24.745   1.7002 1.044418 2.455293 
1 1 1   24   18   -5 o   22.318   1.4366   68.251   8.5656   83.688   11.876   51.515   12.366   24.584   1.8114   18.990   2.4840 5.593994 3.074259 
1 1 1   24   18   -4 o   7.6786   2.7637   7.3673   7.2748   18.988   10.570  -3.0900   10.027   11.266   3.2886   6.3747   2.8520 4.891162 4.353030 
1 1 1   24   18   -3 o   7.0936   2.7323   5.1585   7.3497   6.5613   10.834   3.9626   10.004   8.2814   3.2795   7.5580   3.0946 0.7233934 4.509090 
1 1 1   24   18   -2 o   19.082   1.6359   50.276   8.3029   49.858   11.533   50.725   11.963   18.739   2.3426   18.872   2.4155 -0.1328735 3.364938 
1 1 1   24   18   -1 o   16.260   1.7591   36.767   7.5602   37.141   11.321   36.466   10.157   15.976   2.7368   15.946   2.4499 0.3067398E-01 3.673125 
1 1 1   24   18    0 o   17.097   1.6966   40.517   7.6884   40.308   11.492   40.685   10.344   16.695   2.6514   16.904   2.3413 -0.2086372 3.537210 
1 1 1   24   18    1 o   5.5920   2.4824  -1.9927   7.4442 -12.9366   12.002   4.8491   9.4900   5.9049   2.8028   7.5991   3.0494 -1.694119 4.141803 
1 1 1   24   18    2 o   7.3257   2.7404   6.1140   7.2649  -3.3358   10.637   14.376   9.9459   6.5437   2.9318   9.9874   3.2416 -3.443626 4.370747 
1 1 1   24   18    3 o   14.489   1.9705   29.537   7.4695   21.614   10.861   36.647   10.289   11.979   3.2797   15.975   2.4782 -3.996439 4.110718 
1 1 1   24   18    4 o   16.720   1.8907   39.050   8.3416   28.707   13.143   46.027   10.794   13.702   3.5445   18.021   2.2812 -4.318642 4.215132 
1 1 1   24   18    5 o   16.317   1.9276   37.270   8.2849   54.559   13.218   26.083   10.633   19.503   2.5872   13.219   3.0558 6.283861 4.003946 
1 1 1   24   18    6 o   22.616   1.3492   69.919   8.1585   71.075   12.131   68.964   11.024   22.560   2.0236   22.287   1.8585 0.2733650 2.747551 
1 1 1   24   18    7 f   22.181   1.4896   67.524   8.8230   60.242   14.689   71.635   11.036   20.428   2.7467   22.731   1.8229 -2.302607 3.296577 
1 1 1   24   18    8 o   10.670   2.7808   16.816   8.0502   24.916   13.005   11.784   10.250   12.762   3.6244   9.3458   3.2893 3.415871 4.894460 
1 1 1   24   18    9 o   14.054   2.2798   28.238   8.3113   37.958   10.844   14.400   12.939   16.220   2.5752   10.283   3.6874 5.937386 4.497614 
1 1 1   24   18   10 o   21.904   1.4581   65.806   8.5294   59.526   11.696   72.941   12.466   20.577   2.1478   22.839   2.0542 -2.262070 2.972000 
1 1 1   24   18   11 o   6.0269   2.6426  -1.1391   8.1939  -4.0339   10.659   3.0440   12.812   6.4502   2.9085   8.1209   3.4273 -1.670785 4.495091 
1 1 1   24   18   12 o   12.066   2.4995   21.217   7.8342   21.186   10.993   21.248   11.167   11.842   3.3215   11.855   3.3557 -0.1209641E-01 4.721609 
1 1 1   24   18   13 o   23.367   1.4454   74.868   9.0273   79.543   13.048   70.577   12.502   23.843   2.0577   22.431   2.0996 1.412016 2.939797 
1 1 1   24   18   14 o   25.109   1.4385   86.411   9.6610   84.839   12.594   88.659   15.059   24.688   1.9143   25.070   2.2607 -0.3821430 2.962332 
1 1 1   24   18   15 o   11.532   2.6058   19.573   7.8813   27.660   11.241   11.754   11.053   13.544   3.1496   9.4148   3.4040 4.129083 4.637641 
1 1 1   24   18   16 o   12.873   2.5014   24.168   8.3368   31.290   12.160   17.851   11.452   14.373   3.2288   10.923   3.4715 3.449303 4.740885 
1 1 1   24   18   17 o   17.827   1.7934   44.332   8.4703   38.550   12.336   49.490   11.651   16.109   2.9601   18.590   2.3888 -2.480616 3.803720 
1 1 1   24   18   18 o   33.533   1.1790  153.002   10.619  159.855   14.096  144.010   16.148   34.120   1.5381   32.163   1.8774 1.956684 2.427024 
1 1 1   24   18   19 o   10.813   3.0401   17.682   9.1974   26.469   14.052   11.098   12.165   12.934   3.7964   9.3599   3.5368 3.574279 5.188602 
1 1 1   24   18   20 o   24.214   1.5396   80.988   9.9608   76.568   13.000   87.273   15.501   23.265   2.1032   24.687   2.3667 -1.422590 3.166224 
1 1 1   24   18   21 o   18.093   1.7161   45.758   8.2401   30.330   11.131   64.468   12.257   14.112   3.0273   21.266   2.1766 -7.154278 3.728542 
1 1 1   24   18   22 o   19.026   1.6789   50.581   8.4914   47.919   11.966   53.281   12.052   18.081   2.5335   19.162   2.3939 -1.080864 3.485601 
1 1 1   24   18   23 o   29.193   1.4319  117.433   11.228  111.883   16.851  121.864   15.057   27.892   2.2690   29.391   1.9178 -1.498989 2.970921 
1 1 1   24   18   24 o   8.5208   3.2208   9.5020   10.091   20.976   18.078   4.3090   12.162   11.454   4.3153   7.9151   3.3398 3.538784 5.456759 
1 1 1   24   18   25 o   16.301   2.5692   39.780   10.876   30.172   18.784   44.626   13.340   12.989   4.4596   16.953   3.0413 -3.963593 5.397974 
1 1 1   24   18   26 o   10.357   3.5202   17.255   11.701   21.018   18.657   14.816   15.022   11.261   4.3488   10.014   3.8926 1.246594 5.836477 
1 1 1   24   18   27 o   7.4810   3.2696   1.9763   12.454 -24.3700   27.572   8.7289   13.959   8.1865   3.9767   8.7837   3.6323 -0.5972471 5.385937 
1 1 1   24   18   28 o   8.6308   3.8944   1.9720   19.147   5.7610   25.772  -2.6950   28.603   9.7859   4.4562   9.4586   4.4395 0.3273191 6.290197 
1 1 1   24   18   29 o   9.5482   4.1746   10.273   20.319   20.290   27.737  -1.3310   29.852   11.037   4.8500   9.5288   4.4920 1.507899 6.610666 
1 1 1   24   18   30 o   13.388   5.3828   45.250   29.634   0.0000   0.0000   45.250   29.634  ?   ?    13.388   5.3828 0.000000 5.382780 
1 1 1   24   19  -26 o   6.3884   3.0841 -15.9807   15.937 -15.9807   15.937   0.0000   0.0000   6.3884   3.0841  ?   ?  0.000000 3.084095 
1 1 1   24   19  -25 o   8.8435   3.8050   7.7004   16.331   7.7004   16.331   0.0000   0.0000   8.8435   3.8050  ?   ?  0.000000 3.805004 
1 1 1   24   19  -24 o   13.472   3.4253   30.382   12.422   32.085   17.941   28.814   17.216   13.060   4.3593   12.482   4.2698 0.5774584 6.102027 
1 1 1   24   19  -23 o   6.6705   3.0523  -4.0600   12.280  -2.5827   16.631  -5.8308   18.209   7.8333   3.5719   7.8333   3.6316 -0.5531311E-04 5.093803 
1 1 1   24   19  -22 o   7.3671   3.2080   1.6948   11.891  -0.6581   16.046   4.5610   17.710   7.9758   3.5851   8.8793   3.8893 -0.9034643 5.289599 
1 1 1   24   19  -21 o   20.515   2.5032   62.309   13.507   47.919   17.769   82.004   20.787   16.784   3.9987   22.607   3.5397 -5.823095 5.340315 
1 1 1   24   19  -20 o   12.661   3.5901   26.218   12.770   25.652   17.073   26.937   19.239   12.293   4.2499   12.502   4.4949 -0.2085915 6.185943 
1 1 1   24   19  -19 o   8.7572   3.4493   9.0900   11.925   12.380   31.361   8.5339   12.894   11.529   5.1075   8.8145   3.5483 2.714254 6.219080 
1 1 1   24   19  -18 o   12.479   2.9908   23.977   9.8937   54.845   19.341   13.036   11.514   18.223   4.0558   9.5712   3.4723 8.652026 5.339141 
1 1 1   24   19  -17 o   29.739   1.2915  121.058   10.316  133.012   15.369  111.255   13.917   30.809   1.8661   28.179   1.8491 2.630161 2.627039 
1 1 1   24   19  -16 o   5.4545   2.5062  -4.9495   8.3980   0.8547   11.613 -11.3127   12.159   7.3447   3.1842   6.0294   2.8498 1.315290 4.273241 
1 1 1   24   19  -15 o   21.482   1.5234   63.787   8.7329   64.757   13.453   63.080   11.481   21.210   2.4038   21.123   2.0494 0.8725739E-01 3.158858 
1 1 1   24   19  -14 o   10.611   3.0943   17.054   9.3626   8.8355   13.891   23.896   12.674   9.1968   3.6897   12.349   3.6000 -3.152657 5.154957 
1 1 1   24   19  -13 o   7.6765   2.9578   6.4660   8.6146   10.754   15.552   4.5680   10.347   9.8145   3.9157   7.6910   3.1480 2.123480 5.024208 
1 1 1   24   19  -12 o   10.448   2.6438   16.219   7.4250   15.070   10.830   17.239   10.200   10.141   3.3869   10.690   3.2579 -0.5487347 4.699439 
1 1 1   24   19  -11 o   12.521   2.3062   22.704   7.4699   24.257   10.205   20.912   10.963   12.670   3.0382   11.694   3.3301 0.9763203 4.507792 
1 1 1   24   19  -10 o   23.769   1.3008   77.279   8.2732   78.318   11.626   76.212   11.775   23.716   1.8395   23.370   1.8922 0.3468037 2.639028 
1 1 1   24   19   -9 o   14.003   2.0859   27.894   7.6060   27.735   11.014   28.038   10.516   13.558   3.0930   13.696   2.9461 -0.1373968 4.271533 
1 1 1   24   19   -8 o   17.320   1.8778   41.994   8.5955   26.267   13.324   53.205   11.249   13.001   3.6603   19.380   2.2002 -6.378290 4.270655 
1 1 1   24   19   -7 o   23.732   1.3996   77.207   8.8820   70.626   13.329   82.463   11.912   22.337   2.2524   24.356   1.8345 -2.018562 2.904898 
1 1 1   24   19   -6 o   5.5150   2.4570  -2.1497   7.3592  -4.6757   10.718   0.1037   10.123   6.3642   2.8886   6.8722   2.9761 -0.5080123 4.147445 
1 1 1   24   19   -5 o   14.991   2.0081   31.731   7.8822   33.237   11.476   30.387   10.845   14.954   2.9621   14.300   2.9222 0.6536798 4.160951 
1 1 1   24   19   -4 f   6.0583   2.6698  -1.4432   8.4591  -2.3561   10.837  -0.0197   13.533   6.7226   2.9892   7.8220   3.4137 -1.099430 4.537466 
1 1 1   24   19   -3 f   8.6597   2.9339   10.362   8.1277   13.722   10.798   5.9703   12.345   9.8538   3.3813   8.4736   3.4500 1.380188 4.830745 
1 1 1   24   19   -2 o   15.525   1.9273   33.864   7.8638   13.298   11.352   52.836   10.904   9.8117   3.4607   19.355   2.1328 -9.543428 4.065141 
1 1 1   24   19   -1 o   10.721   2.6726   16.990   7.6689   8.9478   12.409   21.960   9.7547   9.0424   3.5314   12.097   3.0134 -3.054791 4.642327 
1 1 1   24   19    0 o   14.376   2.0317   29.241   7.6265   27.544   11.420   30.608   10.246   13.495   3.1994   14.436   2.7428 -0.9403133 4.214137 
1 1 1   24   19    1 o   22.847   1.3416   71.424   8.1965   67.311   12.186   74.822   11.076   21.887   2.0987   23.222   1.7897 -1.335102 2.758179 
1 1 1   24   19    2 o   29.704   1.1364  119.820   9.0667  125.553   13.406  114.987   12.309   30.176   1.6604   28.905   1.5916 1.270679 2.300001 
1 1 1   24   19    3 f   8.9017   2.7915   11.395   7.4268   8.5095   10.875   13.918   10.167   8.6599   3.3267   9.8463   3.2815 -1.186354 4.672771 
1 1 1   24   19    4 f   8.3466   2.8279   9.5603   7.5510   8.7372   11.139   10.260   10.271   8.7568   3.3662   8.9450   3.2742 -0.1881800 4.695910 
1 1 1   24   19    5 o   10.706   2.7823   17.026   8.0738   23.759   12.504   12.212   10.574   12.429   3.5620   9.4541   3.3393 2.975206 4.882554 
1 1 1   24   19    6 o   9.4282   2.8199   13.018   7.6946   9.5672   11.084   16.229   10.691   8.9201   3.3746   10.478   3.3566 -1.558341 4.759748 
1 1 1   24   19    7 o   33.505   1.0899  152.351   9.8083  155.001   13.869  149.698   13.873   33.623   1.5357   33.030   1.5638 0.5926628 2.191765 
1 1 1   24   19    8 o   16.996   2.1722   40.998   9.6894   43.720   13.938   38.452   13.479   17.089   3.1528   15.949   3.2567 1.140355 4.532799 
1 1 1   24   19    9 o   15.181   2.1946   32.874   8.6891   32.119   14.317   33.314   10.933   14.337   3.6947   15.020   2.8134 -0.6831703 4.643942 
1 1 1   24   19   10 o   24.986   1.2993   85.365   8.6894   96.139   12.583   75.543   12.014   26.313   1.7910   23.243   1.9423 3.069910 2.642031 
1 1 1   24   19   11 o   30.151   1.2267  123.818   9.9344  131.904   14.704  117.028   13.475   30.834   1.7831   29.063   1.7341 1.770973 2.487255 
1 1 1   24   19   12 o   9.1590   2.9869   12.096   8.4408   16.868   11.418   6.3451   12.534   10.626   3.4744   8.5315   3.4753 2.095031 4.914155 
1 1 1   24   19   13 o   7.3889   2.8063   6.1764   7.6840   11.455   10.824   0.8134   10.910   9.2489   3.3648   7.1848   3.1006 2.064026 4.575556 
1 1 1   24   19   14 o   21.118   1.5127   61.582   8.5237   60.282   12.093   62.866   12.016   20.573   2.2239   21.048   2.1558 -0.4759731 3.097335 
1 1 1   24   19   15 o   6.2860   2.7153   0.2571   8.3830  -3.1529   11.864   3.6569   11.847   6.8656   3.0847   7.8697   3.3071 -1.004126 4.522399 
1 1 1   24   19   16 o   24.008   1.4537   79.476   9.3301   80.032   14.486   79.081   12.197   23.633   2.3117   23.715   1.9316 -0.8158302E-01 3.012478 
1 1 1   24   19   17 o   28.587   1.2927  111.862   9.9253  134.536   15.806   97.100   12.753   30.954   1.9105   26.339   1.8138 4.615822 2.634338 
1 1 1   24   19   18 o   10.876   3.0458   18.262   9.2512   17.435   12.703   19.196   13.500   10.653   3.6668   11.076   3.7811 -0.4229345 5.267037 
1 1 1   24   19   19 o   9.1531   3.2133   12.149   9.7785   2.3469   17.968   16.274   11.656   8.8434   3.8945   10.293   3.5133 -1.449420 5.245027 
1 1 1   24   19   20 o   5.6433   2.6324  -7.0556   9.8013 -36.4900   19.893   2.3808   11.263   6.3361   3.1368   7.3910   3.1694 -1.054887 4.459281 
1 1 1   24   19   21 o   17.863   2.1550   46.260   10.131   55.814   16.404   40.369   12.881   18.719   3.3872   16.072   3.0962 2.647375 4.589136 
1 1 1   24   19   22 o   17.522   3.2269   48.722   14.627   39.308   19.229   61.650   22.534   14.609   4.4771   18.348   4.5852 -3.739411 6.408505 
1 1 1   24   19   23 o   8.6069   3.3640   9.7379   11.268   8.8389   18.214   10.295   14.342   9.3998   4.0306   9.1146   3.7156 0.2851629 5.481935 
1 1 1   24   19   24 o   14.335   3.8318   35.972   15.036   56.395   18.976   1.5140   24.649   17.863   4.0487   9.3721   4.3016 8.490945 5.907269 
1 1 1   24   19   25 o   6.8973   3.2252  -7.1931   14.855   15.300   27.127 -16.8278   17.754   10.650   4.7327   6.7788   3.2682 3.871280 5.751454 
1 1 1   24   19   26 o   9.0355   4.0028   7.0176   19.260   22.650   26.715  -9.8990   27.791   11.168   4.8356   8.7467   4.1833 2.420946 6.393923 
1 1 1   24   19   27 o   12.434   4.5627   32.408   19.964   62.010   27.731   0.5620   28.763   15.903   5.4192   9.3536   4.4094 6.549582 6.986458 
1 1 1   24   19   28 o   12.189   5.2054   37.810   30.160   0.0000   0.0000   37.810   30.160  ?   ?    12.189   5.2054 0.000000 5.205443 
1 1 1   24   20  -25 o   9.9260   4.4840   14.870   25.469   14.870   25.469   0.0000   0.0000   9.9260   4.4840  ?   ?  0.000000 4.484003 
1 1 1   24   20  -24 o   9.9429   4.1056   16.843   17.795   16.843   17.795   0.0000   0.0000   9.9429   4.1056  ?   ?  0.000000 4.105584 
1 1 1   24   20  -23 o   12.980   4.4048   34.177   18.320   34.177   18.320   0.0000   0.0000   12.980   4.4048  ?   ?  0.000000 4.404776 
1 1 1   24   20  -22 o   11.063   3.5221   21.271   11.785   11.060   16.431   32.089   16.911   9.2277   3.8871   12.905   4.2288 -3.676910 5.743916 
1 1 1   24   20  -21 o   6.1456   2.8621  -6.2055   11.511   4.1030   15.257 -19.8288   17.539   8.2090   3.6025   6.5320   3.1727 1.677035 4.800432 
1 1 1   24   20  -20 o   11.213   3.6585   21.563   12.662   21.883   17.364   21.201   18.504   11.160   4.2235   11.059   4.3142 0.1010962 6.037378 
1 1 1   24   20  -19 o   18.820   4.5637   65.968   22.831   64.610   28.930   68.210   37.172   17.124   5.5257   16.239   6.1712 0.8854618 8.283537 
1 1 1   24   20  -18 o   9.3345   3.8790   10.149   16.031   19.690   27.912   5.4524   19.583   11.478   4.9562   9.2155   4.0616 2.262062 6.407888 
1 1 1   24   20  -17 o   21.262   2.9441   69.501   16.362   78.840   25.008   62.512   21.635   20.908   4.5799   18.759   4.3742 2.148794 6.333215 
1 1 1   24   20  -16 o   16.113   3.3454   41.491   14.005   31.325   17.292   60.870   23.874   13.325   4.2691   18.078   4.8264 -4.752275 6.443580 
1 1 1   24   20  -15 o   8.9729   3.4501   10.597   11.703   4.8928   16.052   17.069   17.098   8.7481   3.7681   10.712   4.1558 -1.963771 5.609767 
1 1 1   24   20  -14 o   25.706   1.4618   91.528   10.051  117.315   14.744   69.144   13.737   28.807   1.9166   21.781   2.3873 7.026213 3.061470 
1 1 1   24   20  -13 o   5.9181   2.5774  -0.1523   7.6779 -11.3375   11.765   8.1447   10.133   5.8601   2.7796   8.2632   3.2011 -2.403132 4.239511 
1 1 1   24   20  -12 o   17.993   1.7543   45.488   8.3702   52.922   13.106   40.367   10.878   18.918   2.6522   16.558   2.5259 2.359602 3.662519 
1 1 1   24   20  -11 o   6.1250   2.6464   0.3151   7.9667 -15.0770   11.929   12.706   10.703   5.5994   2.6943   9.4299   3.3567 -3.830531 4.304244 
1 1 1   24   20  -10 o   7.6705   2.8818   7.1438   8.0510  -5.8095   12.063   17.547   10.811   6.5670   3.0123   10.673   3.3709 -4.106475 4.520754 
1 1 1   24   20   -9 o   14.221   2.2894   29.340   8.4476   61.795   12.979   5.4866   11.127   20.694   2.3783   7.9951   3.2676 12.69873 4.041480 
1 1 1   24   20   -8 o   10.125   2.8267   15.458   7.9812   25.340   12.059   7.7546   10.647   12.699   3.4471   8.3503   3.2683 4.348455 4.750158 
1 1 1   24   20   -7 o   10.003   3.0711   15.058   9.0433   36.970   15.916   4.6116   10.990   15.122   3.8948   7.8196   3.2274 7.302918 5.058228 
1 1 1   24   20   -6 o   8.7351   2.9566   10.820   8.2540   15.445   12.616   7.3575   10.914   10.304   3.6467   8.3384   3.2949 1.965099 4.914754 
1 1 1   24   20   -5 o   7.2868   2.9654   4.2453   9.1155   6.2750   14.554   2.9351   11.693   8.8807   3.6937   7.7150   3.2661 1.165720 4.930583 
1 1 1   24   20   -4 o   30.998   1.2023  130.981   10.010  119.005   15.771  139.060   12.954   29.088   2.0314   31.800   1.5166 -2.712303 2.535125 
1 1 1   24   20   -3 o   6.9271   2.7816   4.0992   7.9027  -1.8847   11.999   8.6837   10.502   7.0826   3.1474   8.5518   3.2730 -1.469229 4.540809 
1 1 1   24   20   -2 o   22.569   1.4448   70.136   8.7121   78.409   11.883   60.521   12.811   23.668   1.8849   20.535   2.3660 3.133390 3.025001 
1 1 1   24   20   -1 o   18.501   1.7362   47.761   8.5268   46.000   12.606   49.246   11.577   17.679   2.7438   18.493   2.3864 -0.8136482 3.636421 
1 1 1   24   20    0 o   28.112   1.1225  107.504   8.4758  107.558   12.074  107.452   11.901   27.885   1.6191   27.883   1.5957 0.2155304E-02 2.273240 
1 1 1   24   20    1 o   8.1882   2.7619   9.3451   7.2022   3.7560   9.8100   15.880   10.608   7.3828   3.0484   10.304   3.3479 -2.920971 4.527807 
1 1 1   24   20    2 o   19.135   1.5247   50.640   7.7711   53.882   10.633   46.923   11.385   19.516   2.0597   18.032   2.4111 1.484222 3.171106 
1 1 1   24   20    3 o   23.894   1.2885   78.204   8.2389   76.987   11.446   79.513   11.869   23.477   1.8296   23.841   1.8684 -0.3644371 2.615044 
1 1 1   24   20    4 o   9.7507   2.6867   14.178   7.2617   18.306   9.9739   9.5210   10.593   10.948   3.1941   8.7485   3.3016 2.199612 4.593838 
1 1 1   24   20    5 o   9.0765   2.9656   11.960   8.3194   16.566   12.745   8.5406   10.982   10.573   3.6709   8.6008   3.3323 1.971930 4.957810 
1 1 1   24   20    6 o   25.187   1.6625   88.048   11.184  106.671   18.459   77.247   14.058   27.156   2.5610   23.256   2.2799 3.900339 3.428762 
1 1 1   24   20    7 o   6.9111   2.7976   3.8836   8.0638   9.7176   12.119  -0.7519   10.802   9.0238   3.4993   6.8800   3.0250 2.143717 4.625569 
1 1 1   24   20    8 o   22.130   1.5614   67.837   9.2210   68.256   14.210   67.533   12.119   21.709   2.4816   21.819   2.0936 -0.1098309 3.246776 
1 1 1   24   20    9 o   17.465   2.2889   43.963   10.479   88.700   23.670   33.059   11.686   23.635   3.8621   14.724   3.0551 8.911163 4.924377 
1 1 1   24   20   10 o   16.569   2.1759   39.419   9.4491   27.562   16.555   45.148   11.508   12.924   4.1810   17.572   2.5096 -4.647796 4.876339 
1 1 1   24   20   11 o   14.043   2.3362   28.791   8.5020   37.619   12.488   21.166   11.607   15.681   3.0750   11.584   3.4631 4.096725 4.631293 
1 1 1   24   20   12 o   26.353   1.4307   95.865   10.089   95.514   14.391   96.204   14.148   25.917   2.0850   26.042   2.0390 -0.1251125 2.916276 
1 1 1   24   20   13 o   18.081   1.8303   46.178   8.7662   49.515   13.565   43.785   11.487   18.112   2.8853   17.211   2.5631 0.9008522 3.859340 
1 1 1   24   20   14 o   11.062   2.9114   18.930   8.7679   9.3306   13.189   26.532   11.737   8.9824   3.5982   12.886   3.3575 -3.903358 4.921385 
1 1 1   24   20   15 o   35.552   1.1285  172.745   10.776  179.496   17.366  168.518   13.742   35.709   1.8166   34.906   1.4658 0.8030853 2.334231 
1 1 1   24   20   16 o   43.860   1.3021  264.726   15.339  267.520   19.980  260.715   23.938   43.720   1.7015   42.727   2.0859 0.9922562 2.691788 
1 1 1   24   20   17 o   9.7075   3.0892   14.720   9.0661   27.681   13.500   4.0731   12.236   12.814   3.7096   7.8177   3.3266 4.996540 4.982743 
1 1 1   24   20   18 o   39.316   1.4939  215.048   15.775  224.943   24.818  208.339   20.434   39.138   2.3721   38.132   2.0021 1.005672 3.104110 
1 1 1   24   20   19 o   15.659   4.1066   43.799   17.485   0.0000   0.0000   43.799   17.485  ?   ?    15.659   4.1066 0.000000 4.106575 
1 1 1   24   20   20 o   11.543   4.4345   24.201   19.324   25.400   30.647   23.410   24.897   11.843   5.1536   11.503   4.8116 0.3399153 7.050593 
1 1 1   24   20   21 o   14.271   3.9808   36.981   15.835   48.400   27.383   31.244   19.410   14.476   5.3389   12.606   4.5167 1.870005 6.993135 
1 1 1   24   20   22 o   9.3014   3.8074   12.368   15.137  -0.3394   26.078   18.827   18.590   9.1680   4.2824   10.486   4.2467 -1.317954 6.031052 
1 1 1   24   20   23 o   20.912   3.0355   70.838   16.551   22.810   27.331   98.654   20.799   11.037   4.8332   24.415   3.2527 -13.37747 5.825795 
1 1 1   24   20   24 o   8.0344   3.9016 -16.6100   26.486   0.0000   0.0000 -16.6100   26.486  ?   ?    8.0344   3.9016 0.000000 3.901648 
1 1 1   24   20   25 o   7.4759   3.6890 -27.3300   26.724   0.0000   0.0000 -27.3300   26.724  ?   ?    7.4759   3.6890 0.000000 3.688975 
1 1 1   24   20   26 o   8.8881   3.9312   10.028   18.505   11.090   23.606   8.3360   29.806   9.3490   4.2601   9.5032   4.4826 -0.1542063 6.184027 
1 1 1   24   21  -23 o   14.713   5.4800   64.730   28.990   64.730   28.990   0.0000   0.0000   14.713   5.4800  ?   ?  0.000000 5.479951 
1 1 1   24   21  -22 f   8.7363   4.1399   0.7311   25.974   0.7311   25.974   0.0000   0.0000   8.7363   4.1399  ?   ?  0.000000 4.139918 
1 1 1   24   21  -21 o   8.3201   3.5801   8.0841   14.460   16.994   17.547 -10.7700   25.525   9.8008   4.0643   8.1017   3.9092 1.699020 5.639180 
1 1 1   24   21  -20 o   7.3672   3.2080   3.7475   11.892 -10.5735   16.749   18.305   16.887   6.8421   3.2655   10.085   4.0604 -3.243200 5.210602 
1 1 1   24   21  -19 o   8.0505   3.3706   7.4228   12.234   13.305   16.985   1.0802   17.636   9.4402   3.9630   8.0681   3.6787 1.372080 5.407263 
1 1 1   24   21  -18 o   14.290   3.4127   35.089   12.918   25.470   17.668   46.139   18.937   11.465   4.2765   15.281   4.3848 -3.815893 6.124984 
1 1 1   24   21  -17 o   5.3301   2.5989 -16.9152   12.084 -46.1263   16.442   17.399   17.821   4.9959   2.5254   10.245   4.1548 -5.248587 4.862072 
1 1 1   24   21  -16 o   9.5293   3.8180   13.546   14.851 -23.8300   25.691   32.305   18.200   7.7779   3.7918   12.886   4.3903 -5.108168 5.801024 
1 1 1   24   21  -15 o   11.330   3.9156   22.697   14.493   13.440   23.185   28.634   18.567   10.250   4.4710   12.265   4.4151 -2.015242 6.283527 
1 1 1   24   21  -14 o   13.287   3.5076   29.869   12.701   7.7685   16.775   59.561   19.444   8.9898   3.8619   18.371   4.0496 -9.381208 5.595838 
1 1 1   24   21  -13 o   17.083   3.3026   47.289   14.605   38.716   17.434   67.460   26.743   14.573   4.2148   18.081   5.2175 -3.508168 6.707209 
1 1 1   24   21  -12 o   6.6117   2.9236  -0.2861   10.228  -0.6407   12.427   0.4584   18.007   7.1369   3.1852   8.4112   3.7877 -1.274283 4.949002 
1 1 1   24   21  -11 o   20.889   1.8452   62.157   10.246   73.619   13.895   48.494   15.170   22.366   2.3480   17.323   3.3816 5.042538 4.116823 
1 1 1   24   21  -10 o   10.621   3.1560   17.997   9.6617   14.988   12.906   21.833   14.573   9.9177   3.6638   11.401   3.9272 -1.483206 5.370870 
1 1 1   24   21   -9 f   13.480   2.8861   28.196   10.134   36.163   13.272   17.059   15.693   14.962   3.3822   10.527   4.0076 4.434464 5.244041 
1 1 1   24   21   -8 o   18.814   2.0246   50.834   10.070   64.909   13.567   33.565   15.027   20.981   2.4539   14.079   3.8590 6.901611 4.573082 
1 1 1   24   21   -7 o   5.7265   2.6582  -6.2549   9.8003   6.2854   12.624 -25.2784   15.548   8.3079   3.4465   5.8683   2.8795 2.439609 4.491047 
1 1 1   24   21   -6 o   12.356   2.9744   23.797   9.7528   15.114   16.322   28.618   12.163   10.319   4.0445   13.330   3.3895 -3.011112 5.276984 
1 1 1   24   21   -5 o   21.665   1.5277   65.337   8.8331   64.284   13.739   66.079   11.532   20.896   2.4975   21.511   2.0197 -0.6154099 3.211931 
1 1 1   24   21   -4 o   16.037   1.9602   36.771   8.2675   41.654   12.346   32.800   11.132   16.543   2.8833   14.607   2.9393 1.936251 4.117375 
1 1 1   24   21   -3 o   6.2223   2.6937   0.4404   8.2869   3.7015   12.952  -1.8200   10.783   8.0039   3.4146   6.6398   2.9650 1.364104 4.522205 
1 1 1   24   21   -2 o   14.262   2.1325   29.467   7.9180   33.007   11.229   25.965   11.167   14.659   2.9539   12.810   3.2427 1.849132 4.386471 
1 1 1   24   21   -1 o   16.001   2.0385   36.740   8.5619   54.884   11.660   15.507   12.613   19.460   2.2736   10.152   3.6406 9.308262 4.292269 
1 1 1   24   21    0 o   32.272   1.1436  142.274   9.9125  156.006   14.306  129.594   13.747   33.531   1.5885   30.458   1.6870 3.073400 2.317193 
1 1 1   24   21    1 o   9.1065   2.8337   12.483   7.6700  -6.6364   10.977   30.724   10.722   6.0908   2.8223   14.155   2.9171 -8.064109 4.058918 
1 1 1   24   21    2 o   6.2704   2.6267   2.0941   7.4356   8.5736   10.521  -4.3708   10.510   8.4026   3.2600   6.2165   2.8365 2.186094 4.321251 
1 1 1   24   21    3 o   14.046   2.2446   28.822   8.1828   24.663   11.599   32.943   11.546   12.405   3.3863   14.582   3.0462 -2.177406 4.554799 
1 1 1   24   21    4 o   13.389   2.4076   26.563   8.3402   35.836   10.928   13.628   12.907   15.406   2.7414   9.7573   3.6521 5.648817 4.566537 
1 1 1   24   21    5 o   30.718   1.1237  128.913   9.2714  144.139   13.466  115.188   12.784   32.232   1.5554   28.704   1.6653 3.527634 2.278755 
1 1 1   24   21    6 o   10.395   2.8248   16.679   8.0928   12.937   12.309   19.528   10.740   9.5297   3.5666   11.064   3.3367 -1.534409 4.884053 
1 1 1   24   21    7 o   15.976   2.3453   37.534   9.7644   23.588   15.904   45.971   12.370   11.849   4.1015   17.460   2.7270 -5.610656 4.925314 
1 1 1   24   21    8 o   8.3641   3.0079   9.8404   8.6153   14.824   12.237   4.9432   12.131   9.8905   3.5809   7.9706   3.3479 1.919908 4.902150 
1 1 1   24   21    9 f   16.535   2.2700   40.087   9.8157   37.079   13.171   43.844   14.721   15.203   3.3186   16.475   3.4379 -1.271608 4.778335 
1 1 1   24   21   10 o   7.8733   3.1743   6.6012   10.337   6.1301   15.229   7.0036   14.075   8.6852   3.7039   8.6198   3.6126 0.6539059E-01 5.173915 
1 1 1   24   21   11 o   22.623   1.8538   72.875   11.165   71.399   14.254   75.219   17.961   21.930   2.4625   21.894   3.1446 0.3605461E-01 3.994082 
1 1 1   24   21   12 o   6.1510   2.7627  -1.9532   9.5078  -5.2415   12.423   2.6963   14.772   6.5778   3.0319   8.0805   3.5455 -1.502733 4.665066 
1 1 1   24   21   13 o   4.4919   2.2066 -16.3960   9.2105 -18.9873   12.653 -13.4752   13.433   5.4101   2.6426   6.0485   2.8969 -0.6383796 3.921181 
1 1 1   24   21   14 o   18.300   2.8039   51.877   13.342   65.242   18.996   38.865   18.744   19.606   3.7438   14.300   4.4266 5.306808 5.797486 
1 1 1   24   21   15 o   12.357   3.6660   26.596   13.044   28.428   17.237   24.140   19.954   12.320   4.2696   11.477   4.4791 0.8430700 6.188049 
1 1 1   24   21   16 o   12.417   3.8143   27.632   13.947   29.530   25.975   26.863   16.533   12.047   4.9658   11.984   4.1799 0.6292629E-01 6.490833 
1 1 1   24   21   17 o   24.515   2.6514   92.716   17.180   0.0000   0.0000   92.716   17.180  ?   ?    24.515   2.6514 0.000000 2.651369 
1 1 1   24   21   18 o   17.993   3.2812   54.004   15.273   26.110   26.319   68.166   18.753   11.393   4.8642   19.803   3.6606 -8.409721 6.087683 
1 1 1   24   21   19 o   9.6391   3.6909   15.679   13.359   33.170   25.465   9.0367   15.692   12.070   4.9392   8.7333   3.7429 3.336589 6.197212 
1 1 1   24   21   20 o   18.490   2.8138   54.912   13.533   62.590   26.956   52.324   15.648   15.808   5.3431   17.311   3.4861 -1.503620 6.379798 
1 1 1   24   21   21 o   12.721   4.0077   32.084   15.289   53.270   25.159   19.680   19.251   14.522   5.1488   10.203   4.2463 4.319345 6.673858 
1 1 1   24   21   22 f   10.397   4.2814   22.046   19.284   23.890   24.494   19.040   31.277   10.559   4.6009   10.224   4.7470 0.3351555 6.610769 
1 1 1   24   21   23 o   6.3158   3.0594 -13.8548   16.021 -22.4600   20.137   0.9869   26.446   6.5693   3.2340   8.6716   4.1288 -2.102303 5.244637 
1 1 1   24   22  -19 o   4.7040   2.3298 -19.4847   11.016 -20.7751   14.628 -17.7944   16.743   5.5481   2.7361   6.1677   3.0184 -0.6195965 4.073978 
1 1 1   24   22  -18 o   20.967   2.4289   69.033   13.426   85.138   18.444   50.881   19.581   22.241   3.1779   15.171   4.4895 7.069649 5.500418 
1 1 1   24   22  -17 o   13.189   3.5638   32.295   12.924   44.831   18.238   19.650   18.317   14.521   4.3410   10.043   4.1577 4.477554 6.010911 
1 1 1   24   22  -16 o   11.477   3.5034   24.214   11.788   43.460   16.243   2.8001   17.134   14.957   3.9752   7.9996   3.6391 6.957861 5.389398 
1 1 1   24   22  -15 o   7.7027   3.3979   4.1297   13.736  -9.6020   23.102   11.639   17.084   7.8937   3.7855   9.0758   3.8980 -1.182197 5.433624 
1 1 1   24   22  -14 o   15.047   3.6503   40.872   14.602   54.870   25.192   33.789   17.919   15.009   5.1639   12.737   4.3562 2.272346 6.755904 
1 1 1   24   22  -13 o   10.986   3.5928   21.756   12.209   23.621   16.874   19.709   17.686   11.043   4.1672   10.384   4.1643 0.6589441 5.891284 
1 1 1   24   22  -12 f   10.423   3.6365   19.242   12.515   17.911   16.775   20.912   18.794   10.152   4.0611   10.644   4.2841 -0.4917641 5.903052 
1 1 1   24   22  -11 o   17.836   3.9023   57.351   18.175   57.351   18.175   0.0000   0.0000   17.836   3.9023  ?   ?  0.000000 3.902315 
1 1 1   24   22  -10 o   11.237   3.4239   21.822   11.267   10.217   13.942   43.661   19.127   8.8148   3.6364   14.820   4.4489 -6.005325 5.745997 
1 1 1   24   22   -9 o   5.5329   2.5919  -6.5297   9.6691   3.3570   12.574 -20.8360   15.125   7.5776   3.2992   5.8797   2.8756 1.697967 4.376560 
1 1 1   24   22   -8 o   6.4873   2.8450   0.7600   9.5018 -10.0479   12.961   13.318   13.971   6.1479   2.9166   9.4068   3.7244 -3.258858 4.730505 
1 1 1   24   22   -7 o   10.368   3.1824   17.757   9.7114   28.781   13.311   5.2093   14.200   12.804   3.6769   8.1765   3.5330 4.627038 5.099154 
1 1 1   24   22   -6 o   10.761   2.9213   18.668   8.6604   22.133   11.087   13.245   13.871   11.449   3.3755   9.4352   3.7189 2.013412 5.022359 
1 1 1   24   22   -5 o   5.4540   2.5431  -5.9434   9.1328  -9.2343   12.324  -1.9343   13.602   6.0796   2.8722   7.1750   3.2557 -1.095403 4.341527 
1 1 1   24   22   -4 o   6.3925   2.8100   0.2839   9.3161   9.9433   12.829 -10.4906   13.550   8.7669   3.5358   6.3008   2.9870 2.466090 4.628637 
1 1 1   24   22   -3 o   10.328   3.1456   17.381   9.5109   20.352   13.001   13.960   13.949   10.912   3.7106   9.6182   3.7475 1.293426 5.273775 
1 1 1   24   22   -2 o   26.981   1.5533  102.267   11.209  112.371   15.644   91.608   16.068   27.779   2.1126   24.743   2.4499 3.036171 3.234991 
1 1 1   24   22   -1 o   10.517   2.9657   17.768   8.7393   20.489   11.365   13.829   13.671   11.047   3.4513   9.5865   3.7169 1.460723 5.072178 
1 1 1   24   22    0 o   6.9591   2.9127   3.7091   9.1313   2.9458   10.866   5.5440   16.847   7.2372   3.1085   8.7131   3.8055 -1.475938 4.913762 
1 1 1   24   22    1 o   22.154   1.7570   69.887   10.369   70.792   12.599   67.987   18.252   21.985   2.1617   20.310   3.4705 1.674837 4.088684 
1 1 1   24   22    2 o   20.616   1.8959   61.146   10.380   62.729   12.321   57.275   19.269   20.600   2.2642   17.934   4.0908 2.666275 4.675540 
1 1 1   24   22    3 o   9.3257   3.0478   13.779   8.7866   16.061   11.346   10.360   13.888   9.9354   3.4628   8.9795   3.6579 0.9559555 5.037042 
1 1 1   24   22    4 o   20.494   1.7456   59.880   9.5173   71.235   12.438   43.841   14.782   22.067   2.1248   16.162   3.5062 5.904907 4.099778 
1 1 1   24   22    5 o   7.9251   3.0628   8.2717   9.2594   4.3182   12.323   13.398   14.032   7.7380   3.3166   9.4944   3.7410 -1.756354 4.999527 
1 1 1   24   22    6 o   6.3275   2.7991  -0.1659   9.3849   0.3937   12.990  -0.7770   13.574   7.3120   3.2605   7.2943   3.2863 0.1772833E-01 4.629329 
1 1 1   24   22    7 o   15.341   2.4372   35.734   9.7070   50.624   13.229   18.367   14.287   17.967   2.8353   10.398   3.8521 7.569679 4.783094 
1 1 1   24   22    8 o   12.909   2.6486   26.059   8.8753   30.861   11.503   18.994   13.953   13.658   3.1928   10.492   3.8198 3.166191 4.978423 
1 1 1   24   22    9 o   12.683   2.9038   25.948   9.6785   23.203   13.340   28.998   14.063   11.400   3.7569   12.661   3.8181 -1.261318 5.356457 
1 1 1   24   22   10 o   13.632   3.0280   30.388   10.799   35.476   16.515   26.588   14.273   13.645   4.1425   12.031   3.8810 1.614374 5.676518 
1 1 1   24   22   11 o   13.238   3.5467   30.828   12.865   2.1420   22.442   44.868   15.701   8.8734   4.0845   15.873   3.7435 -6.999314 5.540463 
1 1 1   24   22   12 f   8.4629   3.4432   9.6527   12.285   24.953   17.205  -6.2633   17.548   11.336   4.2217   7.4058   3.4764 3.930069 5.468860 
1 1 1   24   22   13 o   19.757   3.1876   64.925   16.340   92.540   27.600   50.024   20.274   20.840   4.9958   15.518   4.5616 5.321904 6.765054 
1 1 1   24   22   14 o   8.5908   3.4702   10.748   12.378   38.210   23.712   0.4618   14.513   12.709   4.9042   7.4297   3.3680 5.279143 5.949346 
1 1 1   24   22   15 o   18.099   3.5645   58.105   16.711   0.0000   0.0000   58.105   16.711  ?   ?    18.099   3.5645 0.000000 3.564458 
1 1 1   24   22   16 o   9.1098   3.7168   13.561   14.366   26.780   26.094   7.8114   17.209   10.926   4.7550   8.5530   3.7866 2.373151 6.078520 
1 1 1   24   22   17 o   6.7230   3.0901  -1.8086   12.781   4.0280   22.750  -4.5003   15.450   8.6603   4.0300   6.9776   3.2711 1.682719 5.190474 
1 1 1   24   22   18 o   17.536   2.9857   51.838   13.559   55.410   23.441   50.042   16.621   14.802   4.9827   16.040   3.8965 -1.238892 6.325375 
1 1 1   24   22   19 o   11.852   3.6995   27.783   13.061   20.730   20.695   32.452   16.839   9.9490   4.2819   12.077   4.2180 -2.128489 6.010541 
1 1 1   24   23  -15 o   13.327   3.5081   34.215   12.729   22.426   16.993   49.286   19.214   10.043   4.0627   14.410   4.4853 -4.366612 6.051691 
1 1 1   24   23  -14 o   9.9695   3.5555   19.496   12.015   20.562   16.113   18.162   18.031   9.8850   3.9710   9.4965   4.0395 0.3884878 5.664516 
1 1 1   24   23  -13 o   6.5866   3.0203  -0.8844   12.112   8.8622   16.025 -13.8747   18.500   8.3075   3.6671   6.6948   3.2533 1.612689 4.902243 
1 1 1   24   23  -12 o   20.110   3.1215   69.720   16.314   85.890   28.013   61.422   20.068   18.056   5.3760   16.954   4.3769 1.101782 6.932400 
1 1 1   24   23  -11 o   5.4372   2.6377 -13.2187   12.025 -15.6533   16.573 -10.5123   17.474   6.2977   3.0647   6.8068   3.2717 -0.5091119 4.482921 
1 1 1   24   23  -10 o   8.4390   3.5909   9.9761   14.257   10.397   16.557   8.7700   28.040   8.6886   3.7843   9.3096   4.3779 -0.6209698 5.786804 
1 1 1   24   23   -9 f   8.8003   3.6691   12.046   14.410   13.044   17.522   9.9590   25.331   9.1331   3.9354   9.3035   4.3026 -0.1703796 5.830922 
1 1 1   24   23   -8 o   5.7928   2.7282  -6.5099   10.962  -3.5141   16.173  -9.0557   14.909   7.2158   3.3712   6.4988   3.0959 0.7169781 4.577047 
1 1 1   24   23   -7 o   5.5154   2.5945  -6.2714   9.8616  -2.2464   13.360 -11.0892   14.617   6.8293   3.1465   6.2900   3.0150 0.5392938 4.357861 
1 1 1   24   23   -6 o   11.026   3.0825   20.936   9.4840   33.659   14.128   10.498   12.796   13.324   3.7754   8.5053   3.4933 4.818837 5.143593 
1 1 1   24   23   -5 o   10.246   3.0104   17.866   8.8317   29.555   12.236   5.1526   12.761   12.804   3.4709   7.6755   3.3327 5.128396 4.811858 
1 1 1   24   23   -4 o   13.869   2.6390   30.733   9.4713   10.644   13.690   49.173   13.117   8.6463   3.5882   17.327   2.9225 -8.680546 4.627704 
1 1 1   24   23   -3 o   11.263   3.0551   21.595   9.4761   37.260   13.938   8.1306   12.922   14.317   3.6218   8.1735   3.4453 6.143759 4.998790 
1 1 1   24   23   -2 o   9.6889   3.0747   15.930   8.9864   32.099   12.199  -3.2549   13.288   13.517   3.3714   6.7579   3.1222 6.759564 4.594995 
1 1 1   24   23   -1 o   12.875   3.0371   27.872   10.333   37.309   13.865   16.087   15.495   14.372   3.5996   9.6693   3.8907 4.702289 5.300487 
1 1 1   24   23    0 o   5.9311   2.6754  -1.3134   9.0280   4.4850   11.226 -11.9314   15.191   7.3435   3.1570   6.4017   3.0699 0.9417977 4.403534 
1 1 1   24   23    1 o   4.8066   2.3200 -10.8046   9.0093 -11.8279   11.341  -9.0540   14.833   5.4442   2.6215   6.5524   3.1118 -1.108178 4.068871 
1 1 1   24   23    2 o   20.359   1.9693   61.196   10.634   77.387   14.219   40.641   16.021   22.446   2.3954   14.539   3.9844 7.907124 4.648995 
1 1 1   24   23    3 o   9.0482   3.0443   13.648   8.7505   26.268   11.960  -0.8916   12.837   12.053   3.4923   6.9202   3.1488 5.133339 4.702228 
1 1 1   24   23    4 o   19.191   1.9419   54.352   9.8716   69.885   14.640   41.402   13.368   21.013   2.6531   15.465   3.3175 5.547175 4.247951 
1 1 1   24   23    5 o   13.675   2.5432   29.614   8.9974   12.032   12.354   49.473   13.130   8.7626   3.4919   17.369   2.9180 -8.605927 4.550590 
1 1 1   24   23    6 o   10.703   2.9492   19.387   8.7495   21.693   11.798   16.569   13.043   10.863   3.5308   9.6410   3.6575 1.222342 5.083678 
1 1 1   24   23    7 o   4.5630   2.2255 -12.8147   8.8793 -13.7274   12.723 -11.9481   12.398   5.6335   2.7283   5.6891   2.7398 -0.5561733E-01 3.866519 
1 1 1   24   23    8 o   5.8777   2.6865  -2.2784   9.4769   0.6680   12.985  -5.6362   13.862   7.0697   3.1970   6.5767   3.0881 0.4929175 4.444876 
1 1 1   24   23    9 f   7.0196   3.1082   2.4895   11.599  -4.1372   15.600   10.683   17.346   7.0346   3.2944   8.8292   3.8587 -1.794555 5.073729 
1 1 1   24   23   10 o   6.8526   3.2757  -9.1084   16.995   17.290   23.710 -37.0000   24.372   9.7922   4.3829   6.6279   3.3121 3.164371 5.493586 
1 1 1   24   23   11 o   10.796   4.1809   25.158   17.282   44.090   22.405  -2.6470   27.153   13.142   4.8320   8.4932   4.0812 4.648717 6.324900 
1 1 1   24   23   12 o   10.627   3.9309   23.413   14.866   17.440   23.485   27.407   19.202   9.6511   4.3378   10.916   4.3524 -1.265351 6.144897 
1 1 1   24   23   13 o   14.355   4.5595   48.461   19.757   0.0000   0.0000   48.461   19.757  ?   ?    14.355   4.5595 0.000000 4.559473 
1 1 1   24   23   14 o   6.4843   3.0340  -3.5500   13.181 -13.4600   19.053   5.5468   18.255   6.7685   3.2920   8.0976   3.7112 -1.329067 4.960899 
1 1 1   24   23   15 o   7.1495   3.1824   3.9243   12.316   7.7310   18.981   1.1557   16.187   8.2983   3.7962   7.3902   3.4254 0.9081192 5.113191 
1 1 1   24   24    0 o   11.570   4.0531   22.831   15.553   14.500   25.402   27.828   19.672   10.855   4.7078   12.415   4.5333 -1.559638 6.535587 
1 1 1   24   24    1 o   6.5546   2.8020   4.0059   8.7544   12.443   11.670  -6.8529   13.239   8.4625   3.3866   6.1628   2.9306 2.299705 4.478529 
1 1 1   24   24    2 o   19.899   2.1071   60.957   11.090   65.583   15.311   55.852   16.085   19.425   3.0339   17.094   3.6162 2.330368 4.720321 
1 1 1   24   24    3 o   9.6281   3.2991   17.536   10.278   20.659   14.034   13.925   15.093   9.9454   3.7890   8.7946   3.7162 1.150835 5.307220 
1 1 1   24   24    4 o   6.7862   2.9402   4.2209   9.8894   13.548   13.317  -7.2454   14.766   8.6735   3.5632   6.4146   3.0627 2.258910 4.698586 
1 1 1   24   24    5 o   11.566   3.6576   27.353   12.725   32.799   17.272   20.888   18.819   11.698   4.2514   9.6897   4.1244 2.008537 5.923252 
1 1 1   24   24    6 o   14.752   3.3949   40.948   13.172   51.127   18.320   30.053   18.953   14.973   4.3177   10.919   4.3333 4.053878 6.117181 
1 1 1   24   24    7 o   6.4143   2.9781  -1.7267   12.311  -8.9473   16.540   7.2409   18.433   6.5528   3.1580   8.1092   3.7212 -1.556453 4.880580 
1 1 1   24   24    8 o   8.8955   3.6932   15.544   14.513   15.335   17.257   16.050   26.826   8.8840   3.8665   9.1164   4.2854 -0.2323532 5.771926 
1 1 1   25    0  -47 o   14.920   7.2739   54.900   34.337   54.900   34.337   54.900   34.337   14.920   7.2739   14.920   7.2739 0.000000 0.000000 
1 1 1   25    0  -46 o   18.912   4.9895   60.750   21.896   60.750   21.896   60.750   21.896   18.912   4.9895   18.912   4.9895 0.000000 0.000000 
1 1 1   25    0  -45 o   8.5763   4.8089   15.084   16.689   15.084   16.689   15.084   16.689   8.5763   4.8089   8.5763   4.8089 0.000000 0.000000 
1 1 1   25    0  -44 o   18.847   2.8461   51.948   13.437   51.948   13.437   51.948   13.437   18.847   2.8461   18.847   2.8461 0.000000 0.000000 
1 1 1   25    0  -43 o   28.665   1.9819  113.181   15.092  113.181   15.092  113.181   15.092   28.665   1.9819   28.665   1.9819 0.000000 0.000000 
1 1 1   25    0  -42 o   8.2966   4.3671   14.215   12.923   14.215   12.923   14.215   12.923   8.2966   4.3671   8.2966   4.3671 0.000000 0.000000 
1 1 1   25    0  -41 o   16.675   3.1639   41.943   12.686   41.943   12.686   41.943   12.686   16.675   3.1639   16.675   3.1639 0.000000 0.000000 
1 1 1   25    0  -40 o   14.157   5.0342   36.954   17.443   36.954   17.443   36.954   17.443   14.157   5.0342   14.157   5.0342 0.000000 0.000000 
1 1 1   25    0  -39 o   6.0884   3.7344   4.5976   11.745   4.5976   11.745   4.5976   11.745   6.0884   3.7344   6.0884   3.7344 0.000000 0.000000 
1 1 1   25    0  -38 o   46.578   1.5106  293.826   18.853  293.826   18.853  293.826   18.853   46.578   1.5106   46.578   1.5106 0.000000 0.000000 
1 1 1   25    0  -37 o   18.098   4.1192   51.478   17.452   51.478   17.452   51.478   17.452   18.098   4.1192   18.098   4.1192 0.000000 0.000000 
1 1 1   25    0  -36 o   4.9192   3.2474  -2.0960   11.082  -2.0960   11.082  -2.0960   11.082   4.9192   3.2474   4.9192   3.2474 0.000000 0.000000 
1 1 1   25    0  -35 o   16.274   3.2216   40.001   12.515   40.001   12.515   40.001   12.515   16.274   3.2216   16.274   3.2216 0.000000 0.000000 
1 1 1   25    0  -34 o   28.491   1.7963  110.883   13.621  110.883   13.621  110.883   13.621   28.491   1.7963   28.491   1.7963 0.000000 0.000000 
1 1 1   25    0  -33 o   63.106   1.4443  537.372   24.452  537.372   24.452  537.372   24.452   63.106   1.4443   63.106   1.4443 0.000000 0.000000 
1 1 1   25    0  -32 o   51.818   1.4323  362.484   19.900  362.484   19.900  362.484   19.900   51.818   1.4323   51.818   1.4323 0.000000 0.000000 
1 1 1   25    0  -31 o   46.205   1.4461  288.359   17.907  288.359   17.907  288.359   17.907   46.205   1.4461   46.205   1.4461 0.000000 0.000000 
1 1 1   25    0  -30 o   17.873   3.8294   48.975   16.143   48.975   16.143   48.975   16.143   17.873   3.8294   17.873   3.8294 0.000000 0.000000 
1 1 1   25    0  -29 o   23.851   2.4075   79.214   15.062   79.214   15.062   79.214   15.062   23.851   2.4075   23.851   2.4075 0.000000 0.000000 
1 1 1   25    0  -28 o   48.411   1.3990  316.214   18.157  316.214   18.157  316.214   18.157   48.411   1.3990   48.411   1.3990 0.000000 0.000000 
1 1 1   25    0  -27 o   16.783   2.5828   40.647   10.823   40.647   10.823   40.647   10.823   16.783   2.5828   16.783   2.5828 0.000000 0.000000 
1 1 1   25    0  -26 o   11.691   3.8457   23.661   10.718   23.661   10.718   23.661   10.718   11.691   3.8457   11.691   3.8457 0.000000 0.000000 
1 1 1   25    0  -25 o   21.682   2.9104   66.893   16.091   66.893   16.091   66.893   16.091   21.682   2.9104   21.682   2.9104 0.000000 0.000000 
1 1 1   25    0  -24 o   25.974   1.7879   92.114   12.338   92.114   12.338   92.114   12.338   25.974   1.7879   25.974   1.7879 0.000000 0.000000 
1 1 1   25    0  -23 o   59.588   1.3731  478.256   21.950  478.256   21.950  478.256   21.950   59.588   1.3731   59.588   1.3731 0.000000 0.000000 
1 1 1   25    0  -22 o   49.495   1.3548  330.134   17.980  330.134   17.980  330.134   17.980   49.495   1.3548   49.495   1.3548 0.000000 0.000000 
1 1 1   25    0  -21 o  103.321   1.6752  1437.21   46.460  1437.21   46.460  1437.21   46.460  103.321   1.6752  103.321   1.6752 0.000000 0.000000 
1 1 1   25    0  -20 o   44.248   1.3532  263.947   16.049  263.947   16.049  263.947   16.049   44.248   1.3532   44.248   1.3532 0.000000 0.000000 
1 1 1   25    0  -19 o   82.367   1.4825  913.050   32.772  913.050   32.772  913.050   32.772   82.367   1.4825   82.367   1.4825 0.000000 0.000000 
1 1 1   25    0  -18 o   19.949   2.0744   55.267   10.840   55.267   10.840   55.267   10.840   19.949   2.0744   19.949   2.0744 0.000000 0.000000 
1 1 1   25    0  -17 o   89.013   1.5287  1066.17   36.525  1066.17   36.525  1066.17   36.525   89.013   1.5287   89.013   1.5287 0.000000 0.000000 
1 1 1   25    0  -16 o   49.581   1.3226  331.091   17.584  331.091   17.584  331.091   17.584   49.581   1.3226   49.581   1.3226 0.000000 0.000000 
1 1 1   25    0  -15 o   18.960   2.0755   50.073   10.247   50.073   10.247   50.073   10.247   18.960   2.0755   18.960   2.0755 0.000000 0.000000 
1 1 1   25    0  -14 o   63.593   1.5684  544.640   26.752  544.640   26.752  544.640   26.752   63.593   1.5684   63.593   1.5684 0.000000 0.000000 
1 1 1   25    0  -13 o   7.9932   4.3732   12.081   13.417   12.081   13.417   12.081   13.417   7.9932   4.3732   7.9932   4.3732 0.000000 0.000000 
1 1 1   25    0  -12 o   8.5432   2.4297   11.916   4.8305   11.916   4.8305   11.916   4.8305   8.5432   2.4297   8.5432   2.4297 0.000000 0.000000 
1 1 1   25    0  -11 o   4.8711   2.5954   4.5779   4.6084   4.5779   4.6084   4.5779   4.6084   4.8711   2.5954   4.8711   2.5954 0.000000 0.000000 
1 1 1   25    0  -10 o   31.517   1.0340  133.878   8.7320  133.878   8.7320  133.878   8.7320   31.517   1.0340   31.517   1.0340 0.000000 0.000000 
1 1 1   25    0   -9 o   88.817   1.2127  1060.50   28.918  1060.50   28.918  1060.50   28.918   88.817   1.2127   88.817   1.2127 0.000000 0.000000 
1 1 1   25    0   -8 o   25.449   1.3535   87.764   9.1917   87.764   9.1917   87.764   9.1917   25.449   1.3535   25.449   1.3535 0.000000 0.000000 
1 1 1   25    0   -7 o  110.948   1.3997  1654.95   41.696  1654.95   41.696  1654.95   41.696  110.948   1.3997  110.948   1.3997 0.000000 0.000000 
1 1 1   25    0   -6 o   65.080   1.0572  569.451   18.469  569.451   18.469  569.451   18.469   65.080   1.0572   65.080   1.0572 0.000000 0.000000 
1 1 1   25    0   -5 o   6.0822   3.2117   7.1883   7.0062   7.1883   7.0062   7.1883   7.0062   6.0822   3.2117   6.0822   3.2117 0.000000 0.000000 
1 1 1   25    0   -4 f  108.234   2.3669  1578.14   68.733  1578.14   68.733  1578.14   68.733  108.234   2.3669  108.234   2.3669 0.000000 0.000000 
1 1 1   25    0   -3 o   5.7946   3.1876   6.2561   7.1734   6.2561   7.1734   6.2561   7.1734   5.7946   3.1876   5.7946   3.1876 0.000000 0.000000 
1 1 1   25    0   -2 o  108.573   1.6851  1585.55   49.115  1585.55   49.115  1585.55   49.115  108.573   1.6851  108.573   1.6851 0.000000 0.000000 
1 1 1   25    0   -1 o   21.384   1.3606   62.183   7.7421   62.183   7.7421   62.183   7.7421   21.384   1.3606   21.384   1.3606 0.000000 0.000000 
1 1 1   25    0    0 o   64.852   1.0631  565.467   18.507  565.467   18.507  565.467   18.507   64.852   1.0631   64.852   1.0631 0.000000 0.000000 
1 1 1   25    0    1 o  102.814   1.3320  1421.06   36.770  1421.06   36.770  1421.06   36.770  102.814   1.3320  102.814   1.3320 0.000000 0.000000 
1 1 1   25    0    2 o   36.528   1.0571  179.698   10.351  179.698   10.351  179.698   10.351   36.528   1.0571   36.528   1.0571 0.000000 0.000000 
1 1 1   25    0    3 o   7.4740   3.5135   11.016   7.9293   11.016   7.9293   11.016   7.9293   7.4740   3.5135   7.4740   3.5135 0.000000 0.000000 
1 1 1   25    0    4 f   28.310   1.1777  108.234   8.9195  108.234   8.9195  108.234   8.9195   28.310   1.1777   28.310   1.1777 0.000000 0.000000 
1 1 1   25    0    5 o   92.190   1.3617  1142.79   33.700  1142.79   33.700  1142.79   33.700   92.190   1.3617   92.190   1.3617 0.000000 0.000000 
1 1 1   25    0    6 o   81.590   1.1707  894.925   25.642  894.925   25.642  894.925   25.642   81.590   1.1707   81.590   1.1707 0.000000 0.000000 
1 1 1   25    0    7 o   88.613   1.2210  1055.63   29.047  1055.63   29.047  1055.63   29.047   88.613   1.2210   88.613   1.2210 0.000000 0.000000 
1 1 1   25    0    8 o   74.472   1.2275  745.800   24.538  745.800   24.538  745.800   24.538   74.472   1.2275   74.472   1.2275 0.000000 0.000000 
1 1 1   25    0    9 o   75.577   1.2306  768.091   24.966  768.091   24.966  768.091   24.966   75.577   1.2306   75.577   1.2306 0.000000 0.000000 
1 1 1   25    0   10 o   58.973   1.0526  467.677   16.661  467.677   16.661  467.677   16.661   58.973   1.0526   58.973   1.0526 0.000000 0.000000 
1 1 1   25    0   11 o   17.079   1.7087   40.376   7.6581   40.376   7.6581   40.376   7.6581   17.079   1.7087   17.079   1.7087 0.000000 0.000000 
1 1 1   25    0   12 o   21.880   1.4437   65.176   8.3997   65.176   8.3997   65.176   8.3997   21.880   1.4437   21.880   1.4437 0.000000 0.000000 
1 1 1   25    0   13 o   41.949   1.0647  236.889   11.979  236.889   11.979  236.889   11.979   41.949   1.0647   41.949   1.0647 0.000000 0.000000 
1 1 1   25    0   14 o   60.933   1.0701  499.319   17.501  499.319   17.501  499.319   17.501   60.933   1.0701   60.933   1.0701 0.000000 0.000000 
1 1 1   25    0   15 o   16.809   1.7779   39.252   7.8213   39.252   7.8213   39.252   7.8213   16.809   1.7779   16.809   1.7779 0.000000 0.000000 
1 1 1   25    0   16 o   32.201   1.1801  139.898   10.175  139.898   10.175  139.898   10.175   32.201   1.1801   32.201   1.1801 0.000000 0.000000 
1 1 1   25    0   17 o   5.4009   3.2007   4.3261   8.0425   4.3261   8.0425   4.3261   8.0425   5.4009   3.2007   5.4009   3.2007 0.000000 0.000000 
1 1 1   25    0   18 o   34.931   1.1344  164.486   10.618  164.486   10.618  164.486   10.618   34.931   1.1344   34.931   1.1344 0.000000 0.000000 
1 1 1   25    0   19 o   11.911   2.7069   21.810   7.5489   21.810   7.5489   21.810   7.5489   11.911   2.7069   11.911   2.7069 0.000000 0.000000 
1 1 1   25    0   20 o   25.806   1.3297   90.230   9.1603   90.230   9.1603   90.230   9.1603   25.806   1.3297   25.806   1.3297 0.000000 0.000000 
1 1 1   25    0   21 o   43.638   1.1387  256.457   13.326  256.457   13.326  256.457   13.326   43.638   1.1387   43.638   1.1387 0.000000 0.000000 
1 1 1   25    0   22 o   4.2141   2.7334  -0.4249   7.3584  -0.4249   7.3584  -0.4249   7.3584   4.2141   2.7334   4.2141   2.7334 0.000000 0.000000 
1 1 1   25    0   23 o   20.955   1.5687   60.062   8.7156   60.062   8.7156   60.062   8.7156   20.955   1.5687   20.955   1.5687 0.000000 0.000000 
1 1 1   25    0   24 o   43.418   1.2211  254.062   14.215  254.062   14.215  254.062   14.215   43.418   1.2211   43.418   1.2211 0.000000 0.000000 
1 1 1   25    0   25 o   14.192   2.5149   29.590   8.6886   29.590   8.6886   29.590   8.6886   14.192   2.5149   14.192   2.5149 0.000000 0.000000 
1 1 1   25    0   26 o   27.686   1.4723  104.026   10.878  104.026   10.878  104.026   10.878   27.686   1.4723   27.686   1.4723 0.000000 0.000000 
1 1 1   25    0   27 o   9.2546   3.5081   15.697   8.1856   15.697   8.1856   15.697   8.1856   9.2546   3.5081   9.2546   3.5081 0.000000 0.000000 
1 1 1   25    0   28 o   35.698   1.4377  172.367   13.734  172.367   13.734  172.367   13.734   35.698   1.4377   35.698   1.4377 0.000000 0.000000 
1 1 1   25    0   29 o   4.6929   2.9735   1.1171   8.0910   1.1171   8.0910   1.1171   8.0910   4.6929   2.9735   4.6929   2.9735 0.000000 0.000000 
1 1 1   25    0   30 o   40.521   1.1685  221.439   12.693  221.439   12.693  221.439   12.693   40.521   1.1685   40.521   1.1685 0.000000 0.000000 
1 1 1   25    0   31 o   10.415   3.3117   18.545   8.1558   18.545   8.1558   18.545   8.1558   10.415   3.3117   10.415   3.3117 0.000000 0.000000 
1 1 1   25    0   32 o   48.734   1.2055  320.204   15.758  320.204   15.758  320.204   15.758   48.734   1.2055   48.734   1.2055 0.000000 0.000000 
1 1 1   25    0   33 o   14.606   2.4985   31.274   8.9404   31.274   8.9404   31.274   8.9404   14.606   2.4985   14.606   2.4985 0.000000 0.000000 
1 1 1   25    0   34 o   19.113   2.1792   51.307   10.812   51.307   10.812   51.307   10.812   19.113   2.1792   19.113   2.1792 0.000000 0.000000 
1 1 1   25    0   35 o   36.175   2.3887  179.810   22.977  179.810   22.977  179.810   22.977   36.175   2.3887   36.175   2.3887 0.000000 0.000000 
1 1 1   25    0   36 o   25.339   1.9183   88.313   12.883   88.313   12.883   88.313   12.883   25.339   1.9183   25.339   1.9183 0.000000 0.000000 
1 1 1   25    0   37 o   3.9217   2.7168  -7.9803   9.8644  -7.9803   9.8644  -7.9803   9.8644   3.9217   2.7168   3.9217   2.7168 0.000000 0.000000 
1 1 1   25    0   38 o   56.344   1.5328  429.627   23.158  429.627   23.158  429.627   23.158   56.344   1.5328   56.344   1.5328 0.000000 0.000000 
1 1 1   25    0   39 o   45.540   1.2192  280.140   14.888  280.140   14.888  280.140   14.888   45.540   1.2192   45.540   1.2192 0.000000 0.000000 
1 1 1   25    0   40 o   64.217   1.2085  556.498   20.828  556.498   20.828  556.498   20.828   64.217   1.2085   64.217   1.2085 0.000000 0.000000 
1 1 1   25    0   41 o   13.698   3.0597   29.147   9.8325   29.147   9.8325   29.147   9.8325   13.698   3.0597   13.698   3.0597 0.000000 0.000000 
1 1 1   25    0   42 o   18.588   2.0741   48.630   10.025   48.630   10.025   48.630   10.025   18.588   2.0741   18.588   2.0741 0.000000 0.000000 
1 1 1   25    0   43 o   49.193   1.2389  327.078   16.346  327.078   16.346  327.078   16.346   49.193   1.2389   49.193   1.2389 0.000000 0.000000 
1 1 1   25    0   44 o   8.1191   3.9556   13.640   10.151   13.640   10.151   13.640   10.151   8.1191   3.9556   8.1191   3.9556 0.000000 0.000000 
1 1 1   25    0   45 o   42.600   1.4890  246.567   16.990  246.567   16.990  246.567   16.990   42.600   1.4890   42.600   1.4890 0.000000 0.000000 
1 1 1   25    0   46 o   13.481   4.4454   32.819   14.296   32.819   14.296   32.819   14.296   13.481   4.4454   13.481   4.4454 0.000000 0.000000 
1 1 1   25    0   47 o   24.020   2.2884   81.513   14.456   81.513   14.456   81.513   14.456   24.020   2.2884   24.020   2.2884 0.000000 0.000000 
1 1 1   25    0   48 o   41.169   1.6092  232.095   17.732  232.095   17.732  232.095   17.732   41.169   1.6092   41.169   1.6092 0.000000 0.000000 
1 1 1   25    0   49 o   6.3495   4.0302   4.4647   14.936   4.4647   14.936   4.4647   14.936   6.3495   4.0302   6.3495   4.0302 0.000000 0.000000 
1 1 1   25    0   50 o   24.979   2.1636   88.711   14.265   88.711   14.265   88.711   14.265   24.979   2.1636   24.979   2.1636 0.000000 0.000000 
1 1 1   25    0   51 o   6.9075   4.0436   10.214   12.560   10.214   12.560   10.214   12.560   6.9075   4.0436   6.9075   4.0436 0.000000 0.000000 
1 1 1   25    1  -46 o   48.070   1.8603  317.611   24.019  328.145   28.245  290.100   45.647   48.666   2.1609   44.147   3.8893 4.518909 4.449317 
1 1 1   25    1  -45 o   36.649   1.8309  183.946   18.023  179.455   22.703  191.600   29.636   35.895   2.3682   36.682   3.0353 -0.7868309 3.849863 
1 1 1   25    1  -44 o   25.765   1.6627   90.811   11.445   98.529   14.692   78.899   18.252   26.714   2.0637   23.546   2.9508 3.167292 3.600792 
1 1 1   25    1  -43 f   31.618   1.2926  135.339   10.977  122.731   15.825  147.031   15.239   29.886   1.9827   32.806   1.7357 -2.920452 2.635103 
1 1 1   25    1  -42 o   32.072   1.3055  139.214   11.246  139.058   15.784  139.374   16.027   31.879   1.8514   31.907   1.8784 -0.2761841E-01 2.637423 
1 1 1   25    1  -41 o   7.8913   2.9653   6.6825   8.5256   5.5920   12.028   7.7835   12.086   8.5441   3.4315   8.9789   3.4911 -0.4348478 4.895145 
1 1 1   25    1  -40 o   17.037   2.1467   40.352   9.6052   26.582   12.703   58.735   14.677   13.466   3.4853   20.414   2.7466 -6.948080 4.437459 
1 1 1   25    1  -39 o   9.9616   3.5003   12.732   11.604   15.073   17.713   10.972   15.359   11.360   4.2731   10.248   3.9492 1.111433 5.818532 
1 1 1   25    1  -38 o   31.558   1.2594  134.630   10.675  144.070   15.118  125.243   15.075   32.504   1.7380   30.264   1.8636 2.239540 2.548264 
1 1 1   25    1  -37 o   31.589   1.2466  134.844   10.577  129.766   14.989  139.880   14.926   30.830   1.8182   32.034   1.7414 -1.203951 2.517578 
1 1 1   25    1  -36 o   34.155   1.6582  158.294   15.212  159.259   21.422  157.311   21.607   34.004   2.3601   33.781   2.3969 0.2227058 3.363772 
1 1 1   25    1  -35 o   6.8040   2.7907   2.3724   8.1528  -5.2478   11.394   10.366   11.670   6.6754   3.0089   9.4820   3.4872 -2.806637 4.605825 
1 1 1   25    1  -34 o   45.334   1.0527  276.995   12.818  275.896   18.074  278.106   18.181   45.162   1.4900   45.342   1.4929 -0.1798935 2.109219 
1 1 1   25    1  -33 o   11.375   2.6117   18.424   7.8110   8.8994   11.059   27.907   11.034   9.0568   3.3823   13.966   3.0289 -4.908817 4.540294 
1 1 1   25    1  -32 o   22.029   1.4897   65.879   8.7624   77.722   12.433   54.190   12.351   23.848   1.9583   19.794   2.3704 4.054098 3.074675 
1 1 1   25    1  -31 o   30.998   1.1984  129.547   9.9776  131.332   13.935  127.669   14.293   31.109   1.6739   30.657   1.7429 0.4515915 2.416574 
1 1 1   25    1  -30 o   20.745   1.5279   58.459   8.4533   63.883   11.852   52.844   12.060   21.594   2.0689   19.564   2.3416 2.030603 3.124654 
1 1 1   25    1  -29 o   57.039   1.4373  439.196   22.020  460.282   31.465  418.957   30.827   58.248   2.0112   55.557   2.0659 2.691677 2.883162 
1 1 1   25    1  -28 o   74.198   1.4761  743.224   29.417  724.138   40.964  763.547   42.271   73.048   2.0879   75.006   2.0983 -1.957481 2.960041 
1 1 1   25    1  -27 f   55.534   0.9816  415.093   14.642  428.356   20.925  402.369   20.495   56.354   1.3825   54.615   1.3972 1.738720 1.965529 
1 1 1   25    1  -26 o   44.607   0.9952  267.794   11.924  267.749   16.700  267.841   17.031   44.557   1.3954   44.561   1.4230 -0.3948212E-02 1.992975 
1 1 1   25    1  -25 o   25.893   1.2417   90.320   8.6355  112.652   12.416   69.396   12.018   28.843   1.6091   22.553   2.0049 6.289412 2.570818 
1 1 1   25    1  -24 o   28.553   1.6433  110.404   12.549   86.477   17.720  134.479   17.774   25.071   2.6727   31.442   2.1170 -6.371273 3.409590 
1 1 1   25    1  -23 o   61.053   1.1309  501.709   18.545  520.079   31.908  492.339   22.790   62.031   1.9151   60.444   1.4038 1.587551 2.374523 
1 1 1   25    1  -22 o   55.257   0.9550  410.657   14.174  406.698   19.898  414.734   20.195   54.950   1.3482   55.489   1.3550 -0.5394402 1.911447 
1 1 1   25    1  -21 o   38.723   0.9881  201.670   10.277  195.495   14.445  208.000   14.625   38.097   1.4117   39.299   1.3856 -1.201641 1.978084 
1 1 1   25    1  -20 o   37.977   0.9982  193.952   10.182  193.083   14.463  194.806   14.336   37.864   1.4221   38.034   1.4033 -0.1700058 1.997909 
1 1 1   25    1  -19 o   53.142   0.9488  379.704   13.542  381.917   19.213  377.519   19.090   53.265   1.3430   52.958   1.3421 0.3074951 1.898618 
1 1 1   25    1  -18 o   72.679   0.9947  710.248   19.417  708.815   27.524  711.668   27.395   72.561   1.4123   72.708   1.4028 -0.1470871 1.990580 
1 1 1   25    1  -17 f   98.903   1.1474  1315.69   30.479  1323.02   43.254  1308.45   42.955   99.102   1.6250   98.555   1.6227 0.5467987 2.296492 
1 1 1   25    1  -16 o   55.436   0.9363  413.109   13.942  412.676   19.836  413.531   19.600   55.379   1.3335   55.438   1.3163 -0.5876160E-01 1.873771 
1 1 1   25    1  -15 o   60.618   0.9486  493.945   15.445  480.219   21.705  508.025   21.983   59.740   1.3527   61.447   1.3320 -1.707050 1.898383 
1 1 1   25    1  -14 o   25.946   1.1820   90.540   8.2374   95.338   11.656   85.753   11.643   26.557   1.6422   25.171   1.7326 1.385609 2.387223 
1 1 1   25    1  -13 o   28.634   1.1745  110.263   9.0333   89.188   14.166  124.705   11.727   25.633   2.0755   30.442   1.4342 -4.809074 2.522808 
1 1 1   25    1  -12 o   55.030   0.8528  406.978   12.605  396.437   17.142  419.388   18.600   54.296   1.1755   55.841   1.2401 -1.545410 1.708694 
1 1 1   25    1  -11 o   26.819   0.8139   96.655   5.8632   94.594   8.0275   99.011   8.5841   26.524   1.1268   27.135   1.1778 -0.6106815 1.630001 
1 1 1   25    1  -10 o   37.030   0.7298  184.236   7.2583  183.058   9.9342  185.586   10.631   36.903   1.0022   37.155   1.0653 -0.2516823 1.462630 
1 1 1   25    1   -9 o   92.415   0.9699  1147.92   24.074  1141.66   33.966  1154.23   34.126   92.123   1.3727   92.629   1.3716 -0.5059738 1.940562 
1 1 1   25    1   -8 o   54.538   0.7128  399.627   10.442  402.011   14.774  397.249   14.759   54.688   1.0058   54.363   1.0108 0.3251419 1.425954 
1 1 1   25    1   -7 f   91.873   0.9170  1134.36   22.628  1129.14   30.578  1140.68   33.642   91.633   1.2424   92.089   1.3601 -0.4550171 1.842164 
1 1 1   25    1   -6 o   72.396   0.8118  704.256   15.786  703.888   23.369  704.564   21.410   72.353   1.2025   72.395   1.1011 -0.4187775E-01 1.630462 
1 1 1   25    1   -5 o   49.436   0.8345  328.398   11.081  330.547   16.667  326.695   14.835   49.580   1.2516   49.296   1.1204 0.2833672 1.679796 
1 1 1   25    1   -4 o   57.797   0.7973  448.842   12.377  446.880   16.099  451.678   19.356   57.660   1.0395   57.957   1.2434 -0.2976646 1.620698 
1 1 1   25    1   -3 o   92.088   1.0725  1139.91   26.527  1128.45   33.596  1158.90   43.230   91.597   1.3656   92.782   1.7347 -1.184608 2.207721 
1 1 1   25    1   -2 o   97.777   1.0515  1285.06   27.614  1279.10   37.013  1292.53   41.472   97.515   1.4131   98.007   1.5755 -0.4913788 2.116378 
1 1 1   25    1   -1 o   28.864   0.9487  111.967   7.3553  104.775   9.9757  120.534   10.888   27.912   1.3306   29.937   1.3541 -2.024824 1.898460 
1 1 1   25    1    0 o   71.820   0.8897  693.146   17.163  703.099   25.815  685.263   22.975   72.305   1.3293   71.392   1.1982 0.9135590 1.789582 
1 1 1   25    1    1 o   55.200   0.7893  409.409   11.702  401.136   18.134  415.312   15.318   54.620   1.2361   55.587   1.0260 -0.9673195 1.606390 
1 1 1   25    1    2 o   26.211   0.9350   92.327   6.5821   90.134   10.031   93.985   8.7223   25.844   1.4510   26.438   1.2283 -0.5940170 1.901068 
1 1 1   25    1    3 o   13.388   1.7072   24.517   5.9993   28.168   8.8332   21.391   8.1738   14.259   2.3911   12.364   2.5462 1.894975 3.492891 
1 1 1   25    1    4 o   15.114   1.3347   30.961   5.3625   24.325   7.8860   36.669   7.3137   13.241   2.3009   16.420   1.6821 -3.178503 2.850187 
1 1 1   25    1    5 o   42.369   0.7615  241.193   8.6658  248.966   12.803  234.623   11.772   43.035   1.1077   41.779   1.0491 1.255821 1.525626 
1 1 1   25    1    6 o   50.176   0.7281  338.265   9.8130  335.608   13.809  340.975   13.947   49.968   1.0289   50.366   1.0310 -0.3979111 1.456593 
1 1 1   25    1    7 f   13.286   1.4694   24.037   5.1555   19.746   7.1308   28.737   7.4624   11.897   2.3149   14.472   1.9711 -2.575067 3.040387 
1 1 1   25    1    8 o   65.256   0.8250  572.214   14.460  564.838   20.387  579.682   20.512   64.814   1.1711   65.661   1.1631 -0.8467102 1.650530 
1 1 1   25    1    9 o   56.272   0.7401  425.463   11.186  426.740   15.896  424.209   15.743   56.342   1.0504   56.175   1.0434 0.1669502 1.480555 
1 1 1   25    1   10 o   10.294   1.8873   14.725   5.0259   23.749   7.2058   6.1774   7.0135   13.106   2.1193   7.4651   2.7097 5.641297 3.440011 
1 1 1   25    1   11 o  105.056   0.9621  1483.48   27.148  1498.73   38.576  1468.51   38.212  105.549   1.3607  104.479   1.3617 1.069939 1.925044 
1 1 1   25    1   12 o   72.537   0.7966  707.044   15.519  702.462   21.885  711.678   22.010   72.279   1.1273   72.752   1.1264 -0.4726486 1.593591 
1 1 1   25    1   13 o   44.319   0.7465  263.931   8.8861  252.417   12.525  275.600   12.609   43.329   1.0763   45.277   1.0368 -1.947945 1.494444 
1 1 1   25    1   14 o   54.151   0.7486  394.019   10.887  386.716   15.376  401.362   15.418   53.630   1.0675   54.637   1.0506 -1.007133 1.497754 
1 1 1   25    1   15 o   85.358   0.8578  979.246   19.667  974.671   27.747  983.865   27.881   85.125   1.2136   85.525   1.2137 -0.4005356 1.716361 
1 1 1   25    1   16 o   46.685   0.8867  292.949   11.119  293.673   16.561  292.355   15.004   46.717   1.3198   46.620   1.1982 0.9696579E-01 1.782564 
1 1 1   25    1   17 f   23.416   1.0190   73.727   6.4091   71.356   9.3847   75.798   8.7737   22.969   1.5300   23.691   1.3849 -0.7217941 2.063656 
1 1 1   25    1   18 o   52.533   0.7904  370.905   11.152  360.891   16.324  379.669   15.272   51.795   1.1734   53.133   1.0702 -1.338020 1.588115 
1 1 1   25    1   19 o   39.858   0.8182  213.538   8.7589  214.158   12.925  213.010   11.911   39.896   1.2062   39.794   1.1144 0.1015549 1.642189 
1 1 1   25    1   20 o   74.650   0.8555  749.148   17.154  742.455   25.444  754.726   23.226   74.270   1.2755   74.896   1.1546 -0.6265488 1.720441 
1 1 1   25    1   21 o   15.117   1.5784   31.135   6.3141   35.897   9.6089   27.516   8.3765   16.131   2.2815   14.081   2.2937 2.049341 3.235164 
1 1 1   25    1   22 o   29.801   0.8953  119.426   7.1662  121.692   10.477  117.435   9.8232   30.061   1.2976   29.534   1.2383 0.5269699 1.793686 
1 1 1   25    1   23 o   29.235   0.9176  114.954   7.2056  109.165   10.264  120.579   10.118   28.466   1.3424   29.923   1.2590 -1.456806 1.840410 
1 1 1   25    1   24 o   14.460   1.5526   28.528   5.9356   32.543   8.4768   24.667   8.3139   15.362   2.1101   13.279   2.4203 2.083730 3.210960 
1 1 1   25    1   25 o   35.569   0.8742  170.165   8.3518  170.037   11.194  170.325   12.543   35.533   1.1729   35.551   1.3136 -0.1753235E-01 1.761043 
1 1 1   25    1   26 o   33.417   0.9124  150.240   8.1894  136.676   10.849  168.206   12.486   31.846   1.2683   35.325   1.3160 -3.478285 1.827718 
1 1 1   25    1   27 f   50.011   0.8337  336.423   11.199  341.291   15.037  330.361   16.782   50.340   1.1121   49.508   1.2620 0.8327370 1.682132 
1 1 1   25    1   28 o   34.422   0.9789  159.493   9.0503  147.049   12.068  175.487   13.681   33.017   1.3609   36.062   1.4125 -3.045280 1.961386 
1 1 1   25    1   29 o   7.0380   2.4900   5.9016   5.8813  -0.9181   8.1726   13.227   8.4702   6.1824   2.6757   9.7795   2.9662 -3.597128 3.994769 
1 1 1   25    1   30 o   31.565   0.9799  134.143   8.3078  142.821   10.889  122.059   12.851   32.545   1.2457   30.006   1.6003 2.539537 2.028020 
1 1 1   25    1   31 o   8.8978   2.5677   11.065   6.4769   6.8302   8.5741   16.692   9.8843   7.9988   2.9800   10.888   3.1806 -2.889607 4.358544 
1 1 1   25    1   32 o   49.775   0.8126  333.358   10.863  333.594   15.316  333.119   15.410   49.746   1.1463   49.709   1.1542 0.3670120E-01 1.626701 
1 1 1   25    1   33 o   33.604   0.9137  152.041   8.2472  139.223   11.488  165.676   11.848   32.111   1.3319   35.039   1.2589 -2.928074 1.832715 
1 1 1   25    1   34 o   33.619   0.9781  152.258   8.8320  151.817   11.779  152.825   13.349   33.529   1.3079   33.614   1.4785 -0.8515167E-01 1.974008 
1 1 1   25    1   35 o   26.760   1.2914   96.734   9.2821  103.058   12.028   87.424   14.595   27.526   1.6342   25.217   2.1762 2.309385 2.721479 
1 1 1   25    1   36 o   36.193   1.0069  176.591   9.7884  174.918   13.691  178.340   14.000   35.954   1.4177   36.300   1.4360 -0.3463936 2.017891 
1 1 1   25    1   37 o   42.684   1.0396  245.736   11.918  230.312   17.963  257.864   15.929   41.195   1.6235   43.658   1.3584 -2.463005 2.116820 
1 1 1   25    1   38 o   23.215   1.3200   73.132   8.1966   67.569   12.096   77.856   11.146   22.145   2.0571   23.863   1.7512 -1.718105 2.701521 
1 1 1   25    1   39 o   32.113   1.0430  139.143   8.9964  140.824   13.606  137.837   11.992   32.211   1.5726   31.903   1.3995 0.3084335 2.105174 
1 1 1   25    1   40 o   30.345   1.0623  124.276   8.6582  134.708   12.341  114.163   12.151   31.525   1.4575   28.959   1.5680 2.565336 2.140727 
1 1 1   25    1   41 o   14.940   1.7779   30.804   6.9942   26.507   9.6663   35.526   10.133   13.600   2.7409   15.884   2.4541 -2.283942 3.679058 
1 1 1   25    1   42 o   7.5120   2.6760   6.8404   6.8037   5.0775   9.5402   8.6650   9.7057   7.7822   3.0788   8.6432   3.1799 -0.8609486 4.426152 
1 1 1   25    1   43 f   12.989   2.2252   23.805   7.4841   31.289   11.113   17.593   10.124   14.732   2.9116   11.043   3.2171 3.689679 4.339023 
1 1 1   25    1   44 o   6.7378   2.7606   2.5712   7.9672   5.2671   11.535   0.1114   11.018   8.3178   3.3534   7.2695   3.1265 1.048283 4.584764 
1 1 1   25    1   45 o   42.565   1.0588  244.924   12.105  253.725   17.396  236.661   16.856   43.180   1.4999   41.701   1.5049 1.479145 2.124716 
1 1 1   25    1   46 o   7.6086   2.8719   6.3649   8.0161   11.249   11.225   1.2817   11.451   9.4225   3.4268   7.5317   3.2119 1.890805 4.696721 
1 1 1   25    1   47 o   22.422   1.8818   69.823   11.228   64.726   12.919   85.562   22.699   21.417   2.2809   23.835   3.6630 -2.417540 4.315073 
1 1 1   25    1   48 o   21.896   1.7162   66.453   10.012   72.857   13.710   59.133   14.657   22.672   2.2824   20.149   2.7827 2.522871 3.598969 
1 1 1   25    1   49 o   8.3136   3.0333   8.9224   8.8055   13.995   12.487   3.9052   12.419   10.002   3.6179   8.0643   3.3872 1.937363 4.956074 
1 1 1   25    1   50 o   24.127   1.8330   81.624   11.790   75.480   16.646   87.809   16.701   22.576   2.8056   24.545   2.5715 -1.968878 3.805799 
1 1 1   25    1   51 o   7.3128   2.9648   4.8275   9.0709   5.6851   13.047   4.0251   12.620   8.3455   3.4864   7.9914   3.3886 0.3540363 4.861835 
1 1 1   25    2  -45 o   14.980   3.9764   34.495   16.266   45.514   18.918   3.2460   31.858   17.143   4.1524   11.793   5.1898 5.350269 6.646544 
1 1 1   25    2  -44 o   16.242   3.3082   38.850   13.942   61.916   18.038   4.6260   21.973   20.577   3.3813   10.441   4.4508 10.13548 5.589537 
1 1 1   25    2  -43 o   20.407   1.7570   57.236   9.5366   52.865   13.592   61.475   13.384   19.310   2.6939   20.946   2.4238 -1.636450 3.623809 
1 1 1   25    2  -42 o   28.510   1.3826  110.176   10.587   95.443   14.762  125.780   15.192   26.296   2.1078   30.289   1.8767 -3.992960 2.822167 
1 1 1   25    2  -41 o   25.934   1.4591   91.490   10.122   85.513   14.041   97.957   14.606   24.892   2.1204   26.674   2.0545 -1.782143 2.952453 
1 1 1   25    2  -40 o   12.950   2.6366   24.006   8.8591   28.326   12.793   20.024   12.280   13.893   3.4452   11.792   3.5705 2.100826 4.961620 
1 1 1   25    2  -39 o   15.918   2.2999   35.495   9.5476   35.178   12.833   35.887   14.289   15.582   3.1739   15.646   3.4891 -0.6358719E-01 4.716744 
1 1 1   25    2  -38 o   12.130   3.1552   21.377   10.377   4.7535   16.710   31.813   13.240   9.5188   3.9584   14.745   3.4109 -5.226344 5.225194 
1 1 1   25    2  -37 o   32.868   1.2183  146.003   10.756  144.241   15.368  147.695   15.058   32.511   1.7666   32.915   1.7092 -0.4047279 2.458049 
1 1 1   25    2  -36 o   23.819   1.5111   77.200   9.6169   70.840   13.376   84.006   13.837   22.636   2.2289   24.703   2.1055 -2.066969 3.066149 
1 1 1   25    2  -35 o   5.8478   2.7521 -11.4249   11.120  -9.7454   15.485 -13.2134   15.979   7.4400   3.4129   7.2469   3.3740 0.1931453 4.799113 
1 1 1   25    2  -34 o   19.101   1.7578   49.942   8.9167   51.208   12.569   48.659   12.652   19.163   2.5017   18.645   2.5969 0.5174732 3.605843 
1 1 1   25    2  -33 o   33.076   1.1686  147.594   10.382  144.208   14.312  151.355   15.083   32.583   1.6407   33.371   1.6882 -0.7885895 2.354147 
1 1 1   25    2  -32 o   45.531   1.0312  279.332   12.610  269.798   17.593  289.406   18.084   44.672   1.4663   46.269   1.4552 -1.597103 2.065821 
1 1 1   25    2  -31 o   34.338   1.1264  158.944   10.389  158.390   14.521  159.525   14.869   34.216   1.5800   34.334   1.6124 -0.1171570 2.257468 
1 1 1   25    2  -30 o   12.411   2.4051   21.709   7.7278   17.035   10.982   26.295   10.877   11.053   3.3827   13.558   3.0594 -2.505032 4.561022 
1 1 1   25    2  -29 o   21.541   1.4795   62.971   8.5078   70.662   12.126   55.515   11.940   22.730   2.0069   20.074   2.2533 2.655386 3.017474 
1 1 1   25    2  -28 o   59.416   1.1512  475.734   18.372  460.567   25.625  491.775   26.354   58.360   1.6348   60.307   1.6270 -1.946796 2.306435 
1 1 1   25    2  -27 o   22.902   1.9870   71.648   12.101   70.102   17.261   73.143   16.970   22.430   2.9357   22.952   2.8115 -0.5220566 4.064866 
1 1 1   25    2  -26 o   69.321   1.0106  646.915   18.816  648.177   26.539  645.640   26.680   69.305   1.4257   69.167   1.4361 0.1382446 2.023619 
1 1 1   25    2  -25 o   19.586   1.5001   52.076   7.8314   49.045   11.181   54.995   10.973   18.874   2.2499   20.036   2.0687 -1.162453 3.056415 
1 1 1   25    2  -24 o   36.937   1.0575  183.662   10.491  183.953   14.831  183.370   14.843   36.923   1.4955   36.864   1.4991 0.5900192E-01 2.117541 
1 1 1   25    2  -23 o   73.444   1.1829  726.407   23.334  726.563   28.780  726.108   39.863   73.398   1.4599   73.232   2.0267 0.1665344 2.497722 
1 1 1   25    2  -22 o   57.376   1.3525  443.608   20.843  405.290   28.463  487.919   30.608   54.745   1.9357   60.075   1.8969 -5.330147 2.710216 
1 1 1   25    2  -21 o   54.640   0.9508  401.570   13.954  406.406   19.774  396.773   19.694   54.926   1.3403   54.269   1.3511 0.6562080 1.903162 
1 1 1   25    2  -20 o   38.025   1.0013  194.490   10.226  197.052   14.482  191.941   14.443   38.244   1.4098   37.744   1.4247 0.5005646 2.004334 
1 1 1   25    2  -19 o   15.159   1.8773   31.490   7.4803   32.615   10.495   30.329   10.664   15.291   2.6516   14.704   2.8025 0.5863400 3.858098 
1 1 1   25    2  -18 o   26.900   1.1808   97.371   8.5314   95.193   12.220   99.441   11.916   26.513   1.7254   27.111   1.6442 -0.5977421 2.383385 
1 1 1   25    2  -17 o   51.494   0.9403  356.518   13.005  365.473   18.426  347.631   18.357   52.107   1.3166   50.817   1.3449 1.290359 1.882087 
1 1 1   25    2  -16 o   39.126   0.9825  205.839   10.325  223.157   14.863  189.687   14.354   40.716   1.3591   37.535   1.4238 3.181587 1.968356 
1 1 1   25    2  -15 o   13.897   1.9350   26.548   7.0266   31.536   10.063   21.803   9.8159   15.057   2.5812   12.430   2.9790 2.626785 3.941714 
1 1 1   25    2  -14 f   45.999   0.9364  284.450   11.569  279.396   16.144  289.786   16.588   45.566   1.3191   46.405   1.3309 -0.8386383 1.873850 
1 1 1   25    2  -13 o   32.137   1.0507  138.867   9.0693  139.561   12.904  138.190   12.749   32.197   1.4922   32.039   1.4816 0.1578751 2.102743 
1 1 1   25    2  -12 o   64.928   0.8124  566.547   14.167  565.036   19.711  568.162   20.378   64.820   1.1321   64.996   1.1673 -0.1762772 1.626120 
1 1 1   25    2  -11 o   40.079   0.7469  215.846   8.0399  211.030   12.341  219.396   10.597   39.613   1.1599   40.399   0.9766 -0.7858315 1.516322 
1 1 1   25    2  -10 o   7.9333   1.8982   8.8239   3.9906   18.125   5.9419   1.1811   5.3862   11.428   2.0092   5.4893   2.2619 5.938686 3.025345 
1 1 1   25    2   -9 o   65.833   1.0862  582.719   19.206  560.585   23.207  630.833   34.216   64.551   1.3385   68.419   1.8619 -3.868332 2.293102 
1 1 1   25    2   -8 o   63.915   0.8104  548.967   13.912  545.862   18.027  553.540   21.877   63.720   1.0533   64.151   1.2697 -0.4308739 1.649676 
1 1 1   25    2   -7 o   35.683   0.8243  171.104   7.8998  162.148   10.835  181.268   11.542   34.725   1.1617   36.715   1.1704 -1.989937 1.649112 
1 1 1   25    2   -6 o   56.770   0.7280  433.023   11.101  409.361   15.424  458.451   15.989   55.182   1.0406   58.399   1.0194 -3.216232 1.456705 
1 1 1   25    2   -5 o   23.743   0.9869   75.772   6.2932   77.882   9.0056   73.759   8.7980   24.019   1.4020   23.372   1.4081 0.6470928 1.987062 
1 1 1   25    2   -4 o  137.636   1.1668  2547.25   43.134  2598.69   61.691  2498.04   60.332  138.931   1.6532  136.215   1.6490 2.716171 2.335053 
1 1 1   25    2   -3 f   50.478   0.7617  342.368   10.328  334.843   13.928  351.559   15.392   49.909   1.0390   51.135   1.1207 -1.226425 1.528259 
1 1 1   25    2   -2 o   27.518   0.9321  101.772   6.8895   92.134   8.9344  115.911   10.821   26.173   1.2709   29.354   1.3725 -3.180202 1.870548 
1 1 1   25    2   -1 o   43.904   0.7875  259.010   9.2868  260.272   12.102  257.201   14.484   44.002   1.0239   43.733   1.2331 0.2696838 1.602783 
1 1 1   25    2    0 o   89.830   0.9561  1084.58   23.068  1097.87   29.989  1065.32   36.103   90.353   1.2357   88.974   1.5107 1.379715 1.951756 
1 1 1   25    2    1 o   31.307   0.8292  131.705   6.9726  130.454   9.6447  133.074   10.092   31.149   1.1528   31.458   1.1944 -0.3098164 1.659998 
1 1 1   25    2    2 o   46.418   0.8107  289.529   10.108  290.326   14.337  288.741   14.253   46.468   1.1487   46.341   1.1451 0.1267815 1.621954 
1 1 1   25    2    3 f   76.627   0.8060  789.021   16.589  795.208   23.519  782.896   23.402   76.905   1.1386   76.307   1.1418 0.5979080 1.612519 
1 1 1   25    2    4 o   61.208   0.7774  503.412   12.781  503.749   18.907  503.129   17.344   61.208   1.1500   61.177   1.0556 0.3182983E-01 1.561016 
1 1 1   25    2    5 o   20.214   1.0505   55.080   5.6837   62.506   8.2334   48.319   7.8558   21.506   1.4336   18.882   1.5630 2.623400 2.120891 
1 1 1   25    2    6 o   72.141   0.8246  699.376   15.978  714.500   23.810  686.987   21.551   72.890   1.2162   71.480   1.1225 1.409760 1.655025 
1 1 1   25    2    7 o   82.083   0.9551  905.617   21.057  889.252   31.329  919.101   28.439   81.293   1.4348   82.663   1.2809 -1.369652 1.923400 
1 1 1   25    2    8 o   42.252   0.7686  239.891   8.7224  240.920   12.786  238.994   11.929   42.329   1.1246   42.163   1.0534 0.1663399 1.540906 
1 1 1   25    2    9 o   11.409   1.7706   17.947   5.2499   24.091   7.5614   12.227   7.2947   13.185   2.2136   9.4124   2.7275 3.772557 3.512758 
1 1 1   25    2   10 o   40.951   0.7828  225.348   8.6100  220.731   12.590  229.404   11.801   40.514   1.1570   41.307   1.0637 -0.7926521 1.571640 
1 1 1   25    2   11 o   46.891   0.7734  295.470   9.7403  272.179   14.034  317.115   13.529   44.987   1.1615   48.566   1.0372 -3.578747 1.557156 
1 1 1   25    2   12 o   94.996   0.9457  1213.08   24.130  1197.65   35.495  1226.33   32.902   94.336   1.4009   95.475   1.2831 -1.138954 1.899661 
1 1 1   25    2   13 o   31.838   0.8535  136.242   7.2988  140.727   10.660  132.283   10.015   32.344   1.2271   31.360   1.1889 0.9837532 1.708581 
1 1 1   25    2   14 f   8.2933   2.3207   9.5535   5.3730   7.5661   7.6962   11.443   7.5046   8.0307   2.8477   9.1732   2.7942 -1.142519 3.989574 
1 1 1   25    2   15 o   55.368   0.8752  412.078   13.015  412.886   19.208  411.393   17.698   55.392   1.2910   55.300   1.1915 0.9209061E-01 1.756812 
1 1 1   25    2   16 o   50.452   0.7884  342.109   10.684  356.831   15.672  329.325   14.604   51.505   1.1329   49.482   1.0988 2.022560 1.578199 
1 1 1   25    2   17 o  103.316   1.0003  1435.42   27.758  1430.02   40.966  1440.00   37.744  103.041   1.4802  103.423   1.3587 -0.3825150 2.009264 
1 1 1   25    2   18 o   71.976   0.8078  696.361   15.617  691.552   22.035  701.214   22.137   71.694   1.1443   72.193   1.1416 -0.4994125 1.616391 
1 1 1   25    2   19 o   78.315   0.8358  824.522   17.582  823.766   24.829  825.282   24.900   78.238   1.1815   78.310   1.1838 -0.7164001E-01 1.672566 
1 1 1   25    2   20 o   57.438   0.8551  443.584   13.193  455.093   19.531  433.926   17.892   58.140   1.2507   56.780   1.1732 1.359634 1.714809 
1 1 1   25    2   21 o   45.792   0.7766  281.896   9.5510  277.722   13.381  286.231   13.637   45.428   1.0966   46.118   1.1009 -0.6903076 1.553925 
1 1 1   25    2   22 o   87.868   0.8828  1038.37   20.835  1036.54   29.364  1040.22   29.566   87.728   1.2462   87.882   1.2526 -0.1542358 1.766900 
1 1 1   25    2   23 o   19.404   1.2061   50.906   6.2546   52.322   8.7020   49.392   8.9960   19.614   1.6676   19.036   1.7801 0.5782986 2.439206 
1 1 1   25    2   24 o   58.986   0.7886  467.874   12.495  466.043   17.507  469.775   17.838   58.832   1.1079   59.065   1.1244 -0.2328072 1.578510 
1 1 1   25    2   25 o   20.419   1.1747   56.349   6.4149   63.081   8.8635   48.944   9.2961   21.561   1.5407   18.929   1.8522 2.632242 2.409203 
1 1 1   25    2   26 o   53.275   0.8701  381.851   12.450  389.064   15.823  370.129   20.173   53.748   1.0961   52.370   1.4342 1.377308 1.805059 
1 1 1   25    2   27 o   38.004   1.0652  194.514   10.873  194.863   13.330  193.820   18.795   38.011   1.3057   37.829   1.8498 0.1824341 2.264203 
1 1 1   25    2   28 o   32.884   0.9982  145.599   8.8163  142.204   11.008  151.673   14.723   32.474   1.2621   33.490   1.6367 -1.016918 2.066827 
1 1 1   25    2   29 o   28.658   0.9898  110.582   7.6183  121.170   10.488   98.756   11.084   29.969   1.3030   26.989   1.5354 2.980162 2.013761 
1 1 1   25    2   30 o   61.340   0.8842  506.412   14.568  499.310   18.651  517.525   23.331   60.864   1.1409   61.907   1.4032 -1.042435 1.808476 
1 1 1   25    2   31 o   15.945   1.6857   34.805   7.1099   37.938   9.0214   29.670   11.551   16.579   2.0711   14.404   3.0790 2.174896 3.710741 
1 1 1   25    2   32 o   31.849   0.9342  136.594   7.9915  130.525   11.168  142.962   11.440   31.089   1.3375   32.540   1.3090 -1.451221 1.871412 
1 1 1   25    2   33 o   22.479   1.2419   68.412   7.4688   78.011   9.9487   56.014   11.306   23.956   1.5546   20.166   2.1190 3.789623 2.628103 
1 1 1   25    2   34 o   25.528   1.0827   87.882   7.4237   89.391   10.327   86.269   10.679   25.653   1.5054   25.183   1.5869 0.4693794 2.187386 
1 1 1   25    2   35 o   25.475   1.1599   87.604   7.9364   90.181   11.565   85.311   10.911   25.720   1.6834   25.024   1.6323 0.6958065 2.344826 
1 1 1   25    2   36 o   53.410   0.8935  384.338   12.818  387.172   19.092  382.013   17.296   53.501   1.3286   53.175   1.2110 0.3254623 1.797681 
1 1 1   25    2   37 o   23.103   1.2992   72.418   8.0288   82.458   11.665   63.381   11.067   24.551   1.7811   21.469   1.9402 3.082073 2.633773 
1 1 1   25    2   38 o   26.989   1.2273   98.473   8.8968  109.419   12.617   87.647   12.548   28.324   1.6657   25.290   1.8603 3.034603 2.497084 
1 1 1   25    2   39 o   37.825   0.9791  192.964   9.9474  205.211   14.057  180.680   14.079   38.933   1.3443   36.511   1.4356 2.421700 1.966736 
1 1 1   25    2   40 o   33.282   1.1191  149.600   10.004  141.051   16.281  154.785   12.680   32.095   1.8971   33.801   1.3966 -1.705799 2.355738 
1 1 1   25    2   41 o   25.759   1.2228   89.728   8.4606   84.612   12.543   93.999   11.460   24.826   1.8954   26.246   1.6338 -1.419500 2.502367 
1 1 1   25    2   42 o   24.101   1.2549   78.816   8.0954   75.692   11.490   81.896   11.408   23.480   1.8365   24.453   1.7484 -0.9730759 2.535706 
1 1 1   25    2   43 o   13.776   2.0796   26.608   7.4552   28.115   10.334   24.973   10.765   13.942   2.8558   13.060   3.1130 0.8813372 4.224523 
1 1 1   25    2   44 o   23.622   1.4482   76.129   9.1438   77.567   12.629   74.545   13.257   23.677   2.0046   23.154   2.1564 0.5222969 2.944276 
1 1 1   25    2   45 o   12.342   2.7557   22.257   8.9038   22.192   11.597   22.351   13.896   12.192   3.4087   12.244   3.8149 -0.5198383E-01 5.115917 
1 1 1   25    2   46 f   13.653   2.4770   26.909   8.7487   9.6366   11.785   48.112   13.058   9.1183   3.4725   18.237   2.7512 -9.119137 4.430307 
1 1 1   25    2   47 o   11.529   3.0131   19.966   9.4346   27.790   12.107   7.8663   15.055   13.485   3.3559   9.3373   3.8067 4.148031 5.074769 
1 1 1   25    2   48 o   23.069   1.7335   73.995   10.662   63.639   13.910   88.747   16.602   20.992   2.5173   24.822   2.5254 -3.830595 3.565681 
1 1 1   25    2   49 f   25.623   1.5616   90.919   10.696   86.051   14.426   96.862   15.939   24.557   2.2109   25.997   2.3067 -1.440435 3.195128 
1 1 1   25    2   50 o   10.752   3.0950   17.983   9.4209   5.1057   12.727   33.592   14.012   8.1982   3.4355   14.387   3.6271 -6.188524 4.995848 
1 1 1   25    3  -45 o   20.956   5.5390   75.360   31.649   0.0000   0.0000   75.360   31.649  ?   ?    20.956   5.5390 0.000000 5.539019 
1 1 1   25    3  -44 o   14.609   3.7539   32.476   14.809   19.833   16.437   87.000   34.134   11.850   4.1658   22.788   5.6136 -10.93811 6.990390 
1 1 1   25    3  -43 o   23.481   2.4325   77.348   15.118   83.351   20.234   69.760   22.748   24.018   3.2173   21.487   4.0910 2.531061 5.204549 
1 1 1   25    3  -42 o   19.551   1.9233   52.821   9.9693   59.176   13.633   45.516   14.616   20.506   2.5288   17.704   3.1911 2.801781 4.071606 
1 1 1   25    3  -41 o   18.524   1.9444   47.432   9.5301   34.647   13.273   61.036   13.692   15.385   3.3102   20.866   2.4924 -5.480367 4.143633 
1 1 1   25    3  -40 o   18.423   1.9079   46.835   9.3043   32.076   12.928   62.694   13.401   14.803   3.3320   21.197   2.3959 -6.393845 4.104008 
1 1 1   25    3  -39 o   22.898   1.5748   71.548   9.6264   63.056   13.377   80.671   13.864   21.269   2.3825   24.160   2.1593 -2.890755 3.215369 
1 1 1   25    3  -38 o   33.996   1.3029  156.422   11.897  174.441   15.965  133.924   17.839   35.815   1.6596   31.182   2.1430 4.632202 2.710515 
1 1 1   25    3  -37 o   47.510   1.2493  305.263   15.943  282.500   27.329  317.005   19.629   45.353   2.2435   48.337   1.5119 -2.983669 2.705388 
1 1 1   25    3  -36 f   14.926   2.3552   31.333   9.1289   27.431   12.844   35.316   12.977   13.676   3.4862   15.613   3.2020 -1.936389 4.733590 
1 1 1   25    3  -35 o   33.921   1.2009  155.463   10.941  162.145   15.717  149.179   15.241   34.540   1.6942   33.081   1.7212 1.459030 2.415156 
1 1 1   25    3  -34 o   29.311   1.7981  117.279   14.088  121.415   19.624  112.881   20.236   29.609   2.4907   28.476   2.6773 1.133654 3.656723 
1 1 1   25    3  -33 o   34.742   1.1639  162.902   10.861  181.686   15.428  144.447   15.293   36.616   1.5687   32.566   1.7548 4.049732 2.353783 
1 1 1   25    3  -32 o   21.814   1.5060   64.704   8.7698   65.628   12.165   63.704   12.654   21.845   2.0992   21.488   2.2247 0.3566666 3.058769 
1 1 1   25    3  -31 o   38.152   1.0875  196.231   11.144  206.305   15.860  186.404   15.663   39.050   1.5121   37.108   1.5715 1.942127 2.180868 
1 1 1   25    3  -30 o   25.846   1.3512   90.459   9.3475   96.167   13.082   84.505   13.361   26.560   1.8454   24.851   2.0191 1.708391 2.735342 
1 1 1   25    3  -29 o   39.540   1.0663  210.659   11.325  212.432   16.032  208.893   15.998   39.641   1.5058   39.308   1.5153 0.3332977 2.136235 
1 1 1   25    3  -28 o   34.140   1.1232  157.079   10.299  150.926   14.620  163.141   14.511   33.400   1.6297   34.737   1.5553 -1.336689 2.252725 
1 1 1   25    3  -27 o   18.200   1.7388   45.243   8.3966   28.885   11.624   63.092   12.142   14.216   3.1292   21.441   2.1369 -7.225886 3.789165 
1 1 1   25    3  -26 o   18.151   2.4143   45.663   11.478   56.016   17.049   37.081   15.523   19.901   3.3057   16.034   3.6821 3.866194 4.948311 
1 1 1   25    3  -25 o   26.322   1.2730   93.423   8.9998   97.156   12.563   89.487   12.899   26.738   1.7592   25.633   1.8868 1.104862 2.579689 
1 1 1   25    3  -24 o   71.480   1.0189  687.867   19.561  695.769   27.793  680.111   27.536   71.802   1.4412   70.988   1.4442 0.8132935 2.040237 
1 1 1   25    3  -23 o   17.030   1.7227   39.600   7.7714   36.694   10.756   42.774   11.241   16.224   2.5526   17.566   2.4492 -1.342909 3.537560 
1 1 1   25    3  -22 o   54.533   1.1311  400.458   16.567  395.478   20.293  410.410   28.686   54.154   1.3952   55.062   1.9397 -0.9072647 2.389325 
1 1 1   25    3  -21 o   65.065   1.3819  570.697   24.149  596.889   34.497  545.528   33.817   66.420   1.9337   63.486   1.9832 2.934109 2.769893 
1 1 1   25    3  -20 o   20.265   1.7410   55.864   9.3842   72.106   17.045   48.799   11.241   22.832   2.8408   18.840   2.2670 3.992023 3.634428 
1 1 1   25    3  -19 o   51.477   0.9530  356.429   13.177  366.084   18.758  347.025   18.513   52.129   1.3397   50.752   1.3581 1.377304 1.907735 
1 1 1   25    3  -18 f   38.611   0.9920  200.532   10.288  205.622   14.588  195.496   14.510   39.068   1.3902   38.091   1.4183 0.9765511 1.986014 
1 1 1   25    3  -17 o   20.918   1.3912   59.195   7.7715   58.922   11.019   59.466   10.963   20.789   1.9980   20.889   1.9775 -0.9988403E-01 2.811128 
1 1 1   25    3  -16 o   33.186   1.0388  148.135   9.2593  150.434   13.119  145.852   13.070   33.417   1.4616   32.903   1.4790 0.5140953 2.079356 
1 1 1   25    3  -15 o   22.145   1.3368   66.261   7.9140   66.101   11.353   66.412   11.037   22.045   1.9371   22.106   1.8767 -0.6077576E-01 2.697089 
1 1 1   25    3  -14 o   14.491   1.8795   28.798   7.1427   32.618   10.382   25.366   9.8417   15.306   2.6196   13.427   2.8187 1.879175 3.848059 
1 1 1   25    3  -13 o   90.847   1.0943  1110.04   26.703  1128.51   38.070  1092.16   37.464   91.531   1.5485   90.044   1.5491 1.486488 2.190324 
1 1 1   25    3  -12 o   22.262   1.0220   66.639   6.1110   69.173   6.8202   56.317   13.763   22.678   1.1197   20.235   2.5919 2.443550 2.823366 
1 1 1   25    3  -11 o   17.395   0.9803   40.809   4.5614   41.613   6.5827   40.067   6.3264   17.526   1.4103   17.198   1.3812 0.3277473 1.974021 
1 1 1   25    3  -10 o   33.749   0.8541  153.094   7.7423  144.872   13.675  156.972   9.3925   32.799   1.5523   34.168   1.0235 -1.368805 1.859345 
1 1 1   25    3   -9 o   36.786   0.8811  181.886   8.7053  179.146   12.043  184.884   12.598   36.493   1.2287   37.071   1.2653 -0.5779266 1.763658 
1 1 1   25    3   -8 o   15.560   1.1932   32.755   4.9489   29.173   7.2340   35.907   6.7851   14.590   1.8905   16.254   1.5739 -1.664330 2.459857 
1 1 1   25    3   -7 o   28.022   0.8105  105.528   6.1004  106.108   8.6728  104.960   8.5824   28.089   1.1496   27.937   1.1438 0.1521988 1.621631 
1 1 1   25    3   -6 o   62.101   0.8138  518.279   13.573  526.926   19.474  510.109   18.929   62.595   1.1583   61.589   1.1443 1.005886 1.628203 
1 1 1   25    3   -5 o   22.269   1.0323   66.674   6.1744   70.472   8.1030   61.416   9.5343   22.848   1.3261   21.288   1.6812 1.560354 2.141225 
1 1 1   25    3   -4 o  101.664   1.0256  1389.53   28.006  1378.86   36.047  1405.78   44.481  101.237   1.3257  102.175   1.6209 -0.9381943 2.093954 
1 1 1   25    3   -3 f   40.873   0.8255  224.513   9.0627  232.505   11.612  212.057   14.496   41.586   1.0396   39.700   1.3595 1.886284 1.711397 
1 1 1   25    3   -2 o   69.173   0.8099  643.018   15.047  632.319   22.120  652.233   20.529   68.568   1.2011   69.648   1.0974 -1.079758 1.626906 
1 1 1   25    3   -1 o  112.490   1.1020  1701.45   33.294  1663.72   42.494  1761.44   53.581  111.190   1.4229  114.350   1.7445 -3.160027 2.251228 
1 1 1   25    3    0 o   66.001   0.8340  585.422   14.784  582.177   19.096  590.276   23.357   65.802   1.0804   66.240   1.3128 -0.4376144 1.700261 
1 1 1   25    3    1 o   39.178   0.9768  206.332   10.279  215.300   13.796  195.144   15.410   40.006   1.2839   38.076   1.5068 1.930527 1.979612 
1 1 1   25    3    2 o   53.858   0.8074  389.805   11.679  407.071   15.288  365.600   18.101   55.026   1.0344   52.132   1.2927 2.894085 1.655610 
1 1 1   25    3    3 f   64.551   0.7889  559.950   13.678  553.274   18.527  567.948   20.280   64.148   1.0753   64.987   1.1618 -0.8387451 1.583063 
1 1 1   25    3    4 o   53.709   0.7368  387.613   10.629  388.386   14.998  386.834   15.064   53.748   1.0389   53.640   1.0456 0.1078606 1.473999 
1 1 1   25    3    5 o   37.057   0.7631  184.528   7.5957  187.309   10.804  181.811   10.680   37.324   1.0778   36.772   1.0814 0.5520744 1.526753 
1 1 1   25    3    6 o   40.093   0.7777  216.010   8.3748  209.208   12.104  222.257   11.600   39.442   1.1425   40.657   1.0622 -1.215229 1.560047 
1 1 1   25    3    7 o   7.2008   2.3739   6.6773   5.3261  -0.4925   7.5212   13.889   7.5434   6.0326   2.5885   9.9740   2.7343 -3.941404 3.765192 
1 1 1   25    3    8 o   62.022   0.7568  516.921   12.606  522.620   17.952  511.377   17.707   62.343   1.0721   61.669   1.0690 0.6739845 1.513985 
1 1 1   25    3    9 o   57.708   0.7503  447.517   11.629  448.618   16.467  446.421   16.425   57.761   1.0614   57.619   1.0613 0.1416054 1.501000 
1 1 1   25    3   10 o   69.494   0.7868  649.025   14.686  647.004   20.701  651.072   20.839   69.361   1.1112   69.579   1.1151 -0.2173843 1.574223 
1 1 1   25    3   11 o  121.985   1.0713  2001.06   35.100  2012.88   49.745  1989.34   49.532  122.262   1.5148  121.545   1.5173 0.7176056 2.144022 
1 1 1   25    3   12 o   25.691   0.9266   88.734   6.3939   81.415   8.7730   97.027   9.3382   24.559   1.3350   26.852   1.2948 -2.292599 1.859752 
1 1 1   25    3   13 o   10.671   1.9507   15.844   5.3850   21.558   7.6030   10.092   7.6281   12.423   2.3649   8.7618   2.8384 3.661673 3.694503 
1 1 1   25    3   14 o   66.163   0.8185  588.398   14.545  584.261   21.554  591.857   19.709   65.895   1.2178   66.333   1.1062 -0.4381943 1.645231 
1 1 1   25    3   15 o   61.385   0.8555  506.559   14.105  522.895   20.037  490.510   19.860   62.337   1.1967   60.373   1.2248 1.964043 1.712338 
1 1 1   25    3   16 o   86.975   0.8728  1017.02   20.389  1046.60   29.119  988.565   28.560   88.183   1.2294   85.701   1.2407 2.481415 1.746660 
1 1 1   25    3   17 o   93.991   0.9092  1187.91   22.953  1180.42   32.211  1195.65   32.716   93.636   1.2808   94.235   1.2926 -0.5999603 1.819634 
1 1 1   25    3   18 f   60.982   0.7760  499.913   12.710  508.169   18.006  491.716   17.942   61.454   1.0909   60.450   1.1051 1.004543 1.552794 
1 1 1   25    3   19 o   61.425   0.8381  507.317   13.827  518.317   19.570  496.353   19.538   62.050   1.1743   60.718   1.1981 1.331902 1.677562 
1 1 1   25    3   20 o   15.702   1.4899   33.546   6.2085   31.878   8.1314   35.877   9.6139   15.215   2.0412   16.111   2.2858 -0.8955269 3.064568 
1 1 1   25    3   21 o   62.873   0.8314  531.610   14.041  527.796   18.747  536.483   21.190   62.613   1.1147   63.106   1.2502 -0.4930191 1.675001 
1 1 1   25    3   22 o   23.086   1.1032   71.757   6.8403   65.581   8.9908   80.245   10.540   21.991   1.5317   24.323   1.6227 -2.332195 2.231455 
1 1 1   25    3   23 o   75.348   0.8768  763.752   17.744  765.486   23.881  761.615   26.515   75.380   1.1795   75.161   1.3134 0.2189789 1.765282 
1 1 1   25    3   24 o   89.955   0.9042  1088.82   21.846  1081.66   30.578  1096.29   31.223   89.574   1.2710   90.173   1.2892 -0.5987854 1.810324 
1 1 1   25    3   25 o   13.774   1.7887   26.102   6.4611   33.069   8.1457   14.282   10.610   15.490   2.0050   10.311   3.3481 5.178956 3.902549 
1 1 1   25    3   26 o   23.115   1.4096   72.385   8.7095   78.518   10.320   57.211   16.234   24.047   1.6072   20.176   3.0945 3.870827 3.486982 
1 1 1   25    3   27 o   39.068   0.9483  205.468   9.9503  218.550   12.534  183.174   16.363   40.268   1.1589   36.797   1.6556 3.471619 2.020893 
1 1 1   25    3   28 o   25.189   1.1008   85.494   7.4476   95.393   9.9137   72.669   11.284   26.544   1.3954   23.083   1.8352 3.460995 2.305451 
1 1 1   25    3   29 o   21.509   1.2556   62.625   7.2222   64.157   9.4891   60.516   11.135   21.712   1.6393   21.015   1.9967 0.6972084 2.583388 
1 1 1   25    3   30 o   17.788   1.5424   43.116   7.2961   47.691   10.906   39.409   9.8165   18.577   2.2303   16.865   2.2211 1.711895 3.147640 
1 1 1   25    3   31 o   32.655   0.9984  143.671   8.7567  146.992   12.308  140.267   12.461   32.981   1.3894   32.210   1.4403 0.7706680 2.001287 
1 1 1   25    3   32 o   35.242   0.9148  167.273   8.6595  159.915   11.630  176.426   12.972   34.414   1.2583   36.134   1.3366 -1.720379 1.835665 
1 1 1   25    3   33 o   34.238   0.9367  157.939   8.6144  163.626   11.747  151.323   12.671   34.804   1.2566   33.445   1.4105 1.359245 1.889070 
1 1 1   25    3   34 o   41.661   0.8636  233.781   9.6632  239.273   13.502  228.013   13.836   42.091   1.1943   41.077   1.2541 1.014118 1.731758 
1 1 1   25    3   35 o   23.585   1.1522   75.121   7.2993   77.564   10.062   72.406   10.605   23.857   1.5791   23.014   1.7284 0.8439198 2.341121 
1 1 1   25    3   36 f   13.593   2.6696   26.403   9.3989   13.094   13.002   40.968   13.602   10.253   3.6943   16.874   3.1161 -6.620531 4.833001 
1 1 1   25    3   37 o   27.298   1.2486  100.775   9.1546  104.043   12.880   97.440   13.014   27.592   1.7471   26.677   1.8273 0.9151630 2.528063 
1 1 1   25    3   38 o   32.920   1.0430  146.269   9.2220  129.726   13.392  161.190   12.718   30.853   1.6217   34.496   1.3727 -3.642675 2.124650 
1 1 1   25    3   39 o   26.316   1.2437   93.668   8.7906  113.402   13.523   79.224   11.569   28.803   1.7564   24.043   1.8046 4.759537 2.518186 
1 1 1   25    3   40 o   33.486   1.0787  151.416   9.7017  153.587   12.902  148.590   14.716   33.656   1.4273   33.007   1.6654 0.6491165 2.193316 
1 1 1   25    3   41 o   17.697   1.7568   43.100   8.2401   38.590   12.201   46.882   11.173   16.407   2.8735   18.306   2.3248 -1.899261 3.696208 
1 1 1   25    3   42 o   29.974   1.2433  121.651   10.010  122.107   13.905  121.161   14.420   29.864   1.7411   29.724   1.8150 0.1407280 2.515068 
1 1 1   25    3   43 o   8.6950   2.9348   10.141   8.1323 -13.4553   10.885   39.956   12.235   5.5181   2.6333   16.658   2.8362 -11.14022 3.870131 
1 1 1   25    3   44 o   8.8300   2.9284   10.714   8.1006   12.875   10.852   7.9957   12.173   9.7592   3.3874   8.9175   3.4935 0.8416300 4.866140 
1 1 1   25    3   45 o   12.221   2.9070   22.130   9.4034   35.288   12.235   3.1404   14.698   15.442   3.0581   8.6105   3.6544 6.831224 4.765178 
1 1 1   25    3   46 o   32.798   1.2421  146.413   10.942  148.628   15.257  144.067   15.702   32.794   1.7383   32.242   1.8206 0.5524979 2.517244 
1 1 1   25    3   47 o   13.496   2.5874   26.803   9.0381   22.656   12.620   31.171   12.950   12.060   3.6122   14.173   3.4373 -2.112328 4.986332 
1 1 1   25    3   48 o   5.9519   2.6565  -2.1584   8.6442   4.4354   12.141  -8.9382   12.311   8.0362   3.3606   6.3050   2.9442 1.731249 4.467870 
1 1 1   25    3   49 f   29.646   1.4682  121.277   11.691  140.020   15.607   97.311   17.648   31.561   1.8492   25.744   2.5873 5.816553 3.180154 
1 1 1   25    4  -44 o   21.010   3.6113   66.511   19.644   0.0000   0.0000   66.511   19.644  ?   ?    21.010   3.6113 0.000000 3.611279 
1 1 1   25    4  -43 o   22.901   2.7351   74.847   16.491   68.043   19.224   93.800   32.086   21.459   3.4524   24.085   5.1178 -2.626266 6.173427 
1 1 1   25    4  -42 o   8.0635   3.3301   3.8058   11.710   19.889   16.685 -11.8097   16.440   11.951   4.1973   7.4105   3.4409 4.540640 5.427426 
1 1 1   25    4  -41 o   16.326   2.1656   37.296   9.2618   51.828   13.498   24.366   12.732   19.102   2.7066   12.824   3.5667 6.277488 4.477435 
1 1 1   25    4  -40 o   45.409   1.1195  278.680   13.654  278.901   19.394  278.462   19.228   45.280   1.5946   45.249   1.5821 0.3119278E-01 2.246320 
1 1 1   25    4  -39 o   6.7227   2.8120   1.5770   8.5030   9.0660   11.873  -6.3080   12.183   9.1698   3.4870   6.7618   3.0732 2.408043 4.648000 
1 1 1   25    4  -38 o   25.643   1.4471   89.463   9.9263  115.404   14.198   64.658   13.883   29.029   1.8303   21.511   2.4464 7.517519 3.055299 
1 1 1   25    4  -37 o   27.006   1.4738   99.234   10.650   91.200   14.049  110.088   16.329   25.728   2.0500   28.241   2.1693 -2.512611 2.984686 
1 1 1   25    4  -36 o   51.259   1.2304  355.345   16.939  378.499   29.768  344.257   20.600   52.549   2.1091   50.360   1.5230 2.189041 2.601452 
1 1 1   25    4  -35 o   38.536   1.1472  200.616   11.874  202.486   16.798  198.749   16.787   38.602   1.6201   38.240   1.6344 0.3618546 2.301359 
1 1 1   25    4  -34 o   31.108   1.2643  130.856   10.564  121.863   14.692  140.482   15.200   29.851   1.8414   32.079   1.7710 -2.228128 2.554818 
1 1 1   25    4  -33 o   35.977   1.6131  175.678   15.587  202.133   21.785  147.929   22.311   38.388   2.1211   32.659   2.5641 5.728916 3.327699 
1 1 1   25    4  -32 o   30.123   1.2501  122.595   10.115  115.861   14.270  129.393   14.339   29.129   1.8333   30.814   1.7396 -1.684757 2.527253 
1 1 1   25    4  -31 o   30.648   1.2195  126.815   10.038  129.357   14.065  124.175   14.331   30.830   1.7052   30.187   1.7754 0.6426010 2.461663 
1 1 1   25    4  -30 f   48.945   1.0128  322.841   13.314  330.025   18.877  315.731   18.781   49.404   1.4226   48.317   1.4472 1.087437 2.029325 
1 1 1   25    4  -29 o   31.743   1.1674  135.908   9.9532  145.478   13.944  125.967   14.211   32.782   1.5837   30.430   1.7461 2.351902 2.357305 
1 1 1   25    4  -28 o   28.077   1.2361  106.362   9.3218   96.787   13.113  116.145   13.254   26.647   1.8435   29.233   1.6954 -2.585991 2.504543 
1 1 1   25    4  -27 o   25.153   1.3094   85.617   8.8156   88.768   12.574   82.571   12.363   25.519   1.8470   24.599   1.8855 0.9195766 2.639448 
1 1 1   25    4  -26 o   23.469   1.4107   74.644   8.8508   59.484   12.469   90.039   12.565   20.778   2.2713   25.709   1.8316 -4.931034 2.917820 
1 1 1   25    4  -25 o   10.066   3.3459   13.402   10.573  -2.4451   14.428   31.782   15.539   8.0360   3.5155   14.815   3.8646 -6.778704 5.224360 
1 1 1   25    4  -24 o   39.487   1.2041  210.189   12.771  213.334   15.603  203.805   22.229   39.746   1.4616   38.666   2.1490 1.080029 2.598886 
1 1 1   25    4  -23 o   29.033   1.1717  113.594   9.1374  116.235   13.035  111.043   12.812   29.271   1.6649   28.606   1.6748 0.6650753 2.361517 
1 1 1   25    4  -22 o   52.481   0.9819  370.745   13.841  377.660   19.811  364.151   19.346   52.907   1.3941   51.953   1.3864 0.9535141 1.966145 
1 1 1   25    4  -21 o   85.118   1.1680  976.017   26.704  948.967   34.695  1015.33   41.826   83.835   1.5408   86.632   1.7975 -2.797707 2.367543 
1 1 1   25    4  -20 o   54.479   1.1188  399.658   16.371  407.800   20.373  384.818   27.504   54.992   1.3793   53.318   1.9206 1.674286 2.364548 
1 1 1   25    4  -19 o   63.416   1.1163  541.451   19.013  522.794   32.373  551.275   23.492   62.155   1.9392   63.948   1.3677 -1.792969 2.372984 
1 1 1   25    4  -18 o   93.396   1.2952  1175.22   32.490  1203.62   56.652  1161.30   39.660   94.218   2.2387   92.765   1.5917 1.452591 2.746854 
1 1 1   25    4  -17 o   38.667   0.9900  201.148   10.282  202.730   14.651  199.613   14.432   38.784   1.4065   38.486   1.3962 0.2983017 1.981815 
1 1 1   25    4  -16 o   41.920   0.9842  236.390   11.082  239.523   15.952  233.468   15.406   42.161   1.4087   41.628   1.3779 0.5332527 1.970559 
1 1 1   25    4  -15 o   30.861   1.1968  128.198   9.9200  127.832   12.957  128.715   15.420   30.751   1.5740   30.816   1.8719 -0.6490326E-01 2.445723 
1 1 1   25    4  -14 o   17.987   1.7197   44.037   8.2069   43.711   13.344   44.235   10.408   17.705   2.9070   17.951   2.2051 -0.2460670 3.648767 
1 1 1   25    4  -13 o   50.568   0.8291  343.757   11.261  345.364   14.404  341.230   18.059   50.670   1.0584   50.342   1.3356 0.3285141 1.704117 
1 1 1   25    4  -12 o   58.357   0.7454  457.712   11.683  461.664   16.187  453.415   16.880   58.588   1.0287   58.058   1.0825 0.5304375 1.493291 
1 1 1   25    4  -11 o   62.911   0.8911  532.083   15.057  524.730   22.856  537.721   20.014   62.430   1.3631   63.218   1.1787 -0.7881165 1.802038 
1 1 1   25    4  -10 o   39.325   0.7647  207.846   8.0775  206.951   12.221  208.540   10.764   39.221   1.1601   39.379   1.0177 -0.1583061 1.543203 
1 1 1   25    4   -9 o   18.946   1.0239   48.408   5.1908   49.034   7.8539   47.923   6.9169   19.016   1.5512   18.818   1.3781 0.1986122 2.074960 
1 1 1   25    4   -8 o   29.026   0.8544  113.245   6.6609  116.439   10.584  111.152   8.5709   29.413   1.3398   28.747   1.1100 0.6654778 1.739902 
1 1 1   25    4   -7 o   91.180   0.9621  1117.76   23.562  1131.62   37.636  1108.83   30.217   91.665   1.5286   90.781   1.2392 0.8834991 1.967857 
1 1 1   25    4   -6 o   49.094   0.7549  323.908   9.9541  309.731   13.386  341.446   14.888   47.993   1.0384   50.387   1.1001 -2.393265 1.512797 
1 1 1   25    4   -5 o   41.737   0.7313  234.086   8.1982  215.087   11.457  254.021   11.736   39.993   1.0666   43.466   1.0053 -3.472416 1.465668 
1 1 1   25    4   -4 o   11.130   1.7181   17.082   4.9710   14.514   7.1009   19.551   6.9612   10.163   2.5929   11.834   2.2726 -1.671245 3.447928 
1 1 1   25    4   -3 o   85.341   0.8482  978.901   19.442  976.455   27.502  981.344   27.488   85.199   1.2018   85.412   1.1982 -0.2134399 1.697063 
1 1 1   25    4   -2 f   68.187   0.8075  624.872   14.788  625.455   20.117  624.187   21.813   68.197   1.0982   68.120   1.1922 0.7756805E-01 1.620975 
1 1 1   25    4   -1 o   46.539   0.8078  291.080   10.097  297.707   14.324  284.535   14.236   47.049   1.1335   45.995   1.1523 1.053722 1.616405 
1 1 1   25    4    0 o   7.7110   2.6258   7.4141   6.5104   17.205   8.5512  -6.0872   10.042   11.061   2.8579   6.1396   2.7903 4.921707 3.994110 
1 1 1   25    4    1 o   62.730   1.0241  529.096   17.254  522.762   20.051  547.173   33.874   62.340   1.1975   63.689   1.9802 -1.348862 2.314117 
1 1 1   25    4    2 f   97.063   1.1952  1267.29   31.160  1264.33   36.757  1274.87   58.745   96.918   1.4120   97.151   2.2513 -0.2328949 2.657482 
1 1 1   25    4    3 o   19.250   1.2508   50.062   6.4318   46.562   8.2656   55.434   10.240   18.515   1.6804   20.185   1.9116 -1.670555 2.545185 
1 1 1   25    4    4 o  107.507   1.0716  1554.24   30.943  1558.99   39.963  1547.13   48.896  107.624   1.3825  107.153   1.6989 0.4708557 2.190331 
1 1 1   25    4    5 o   84.305   0.9315  955.462   21.093  979.548   27.584  921.545   32.732   85.332   1.2035   82.732   1.4730 2.599976 1.902162 
1 1 1   25    4    6 o   32.714   0.9221  143.871   8.1019  139.765   10.812  149.130   12.235   32.230   1.2489   33.286   1.3686 -1.056087 1.852783 
1 1 1   25    4    7 o   17.361   1.3016   40.785   6.0249   38.599   7.9806   43.683   9.1871   16.826   1.7935   17.890   1.9431 -1.064301 2.644333 
1 1 1   25    4    8 o   63.277   0.8017  538.144   13.626  532.588   18.355  544.966   20.338   62.928   1.0860   63.646   1.1897 -0.7177353 1.610822 
1 1 1   25    4    9 o   28.630   0.9302  110.199   7.1527  108.920   9.5687  111.819   10.768   28.450   1.2522   28.820   1.3911 -0.3694897 1.871662 
1 1 1   25    4   10 o   52.089   0.7910  364.680   11.067  369.711   14.882  358.455   16.554   52.430   1.0568   51.616   1.1941 0.8147812 1.594548 
1 1 1   25    4   11 o   60.588   0.8005  493.410   13.026  493.706   17.482  493.040   19.531   60.585   1.0743   60.532   1.2013 0.5268097E-01 1.611599 
1 1 1   25    4   12 o   41.201   0.8149  228.185   9.0174  222.838   12.010  235.094   13.652   40.700   1.0987   41.796   1.2161 -1.096252 1.638887 
1 1 1   25    4   13 o   75.844   0.8599  773.354   17.517  765.195   23.492  783.571   26.289   75.410   1.1598   76.293   1.2829 -0.8833771 1.729478 
1 1 1   25    4   14 o  103.752   1.1173  1448.39   31.137  1446.14   41.564  1451.26   47.004  103.594   1.4938  103.728   1.6871 -0.1344910 2.253397 
1 1 1   25    4   15 o   46.510   0.8118  290.817   10.141  297.513   13.500  282.145   15.363   47.024   1.0689   45.778   1.2495 1.246040 1.644296 
1 1 1   25    4   16 o   32.027   0.9097  137.944   7.8250  142.598   10.372  131.796   11.921   32.547   1.1865   31.274   1.4192 1.273024 1.849871 
1 1 1   25    4   17 o   71.445   0.8487  686.394   16.285  690.535   21.832  681.199   24.452   71.624   1.1349   71.115   1.2801 0.5083618 1.710755 
1 1 1   25    4   18 o   28.205   1.0465  107.060   7.9276  115.464   10.360   95.184   12.315   29.273   1.3176   26.489   1.7406 2.783730 2.183044 
1 1 1   25    4   19 o   57.863   0.8536  450.310   13.266  454.052   17.138  444.719   20.952   58.075   1.0987   57.438   1.3581 0.6371155 1.746890 
1 1 1   25    4   20 o   14.778   1.6330   29.850   6.3732   24.249   8.1290   38.783   10.267   13.160   2.3877   16.737   2.3484 -3.577376 3.349072 
1 1 1   25    4   21 o   8.6596   2.4781   10.456   6.0558   11.429   7.7486   8.9285   9.7068   9.1593   2.8479   8.8057   3.1891 0.3536091 4.275595 
1 1 1   25    4   22 o   22.680   1.0980   69.278   6.6885   61.987   9.1672   77.577   9.7805   21.358   1.6098   23.919   1.5304 -2.560955 2.221175 
1 1 1   25    4   23 o   54.463   0.7894  398.977   11.547  395.536   16.072  402.648   16.601   54.187   1.1042   54.668   1.1306 -0.4809303 1.580396 
1 1 1   25    4   24 o   34.042   0.8811  155.946   8.0561  149.413   11.113  163.184   11.696   33.288   1.2429   34.787   1.2518 -1.499187 1.764012 
1 1 1   25    4   25 o   7.9272   2.6564   8.1166   6.6622   8.4756   9.0736   7.6967   9.8133   8.5357   3.0845   8.5151   3.1850 0.2055073E-01 4.433797 
1 1 1   25    4   26 o   52.902   0.8073  376.529   11.472  382.385   16.068  370.442   16.383   53.266   1.1231   52.421   1.1636 0.8452339 1.617174 
1 1 1   25    4   27 o   42.744   0.8721  245.903   10.013  255.183   13.360  234.012   15.123   43.508   1.1433   41.633   1.3525 1.875446 1.770928 
1 1 1   25    4   28 o   36.275   0.9849  177.233   9.5955  163.274   13.399  191.931   13.748   34.759   1.4351   37.699   1.3578 -2.939480 1.975657 
1 1 1   25    4   29 o   26.996   1.1877   98.314   8.6120   98.463   12.047   98.158   12.315   26.906   1.6754   26.856   1.7163 0.5014992E-01 2.398437 
1 1 1   25    4   30 f   8.0389   2.6145   8.6163   6.4687   6.4656   8.3858   11.776   10.165   7.8363   2.9417   9.5556   3.2806 -1.719324 4.406329 
1 1 1   25    4   31 o   14.191   1.7264   27.725   6.4449   32.402   8.7317   22.128   9.5523   15.254   2.1944   12.410   2.9154 2.844303 3.648949 
1 1 1   25    4   32 o   11.246   2.2259   17.885   6.4854   32.078   8.6523  -0.3152   9.7975   15.170   2.1867   6.8482   2.9468 8.321361 3.669561 
1 1 1   25    4   33 o   39.661   0.8928  211.941   9.5105  221.887   12.951  200.303   14.011   40.530   1.1897   38.475   1.3558 2.054859 1.803772 
1 1 1   25    4   34 o   18.444   1.4688   46.394   7.2159   46.037   9.6169   46.854   10.916   18.256   1.9937   18.347   2.2630 -0.9131432E-01 3.015996 
1 1 1   25    4   35 o   46.097   1.0249  286.723   12.689  285.318   18.855  287.887   17.155   45.851   1.5311   46.101   1.3854 -0.2496834 2.064861 
1 1 1   25    4   36 o   22.656   1.3360   69.737   8.0939   71.751   10.598   66.918   12.537   22.892   1.7367   21.990   2.1502 0.9021320 2.763956 
1 1 1   25    4   37 o   22.189   1.4008   66.990   8.3056   63.577   12.235   69.907   11.311   21.423   2.1556   22.552   1.8846 -1.129114 2.863278 
1 1 1   25    4   38 o   29.498   1.1897  117.640   9.4262  116.037   13.865  119.018   12.854   29.124   1.7810   29.541   1.6263 -0.4177876 2.411776 
1 1 1   25    4   39 o   26.643   1.1110   95.901   7.9506   99.807   10.855   91.380   11.678   27.074   1.4985   25.853   1.6911 1.220928 2.259524 
1 1 1   25    4   40 o   10.780   2.5855   16.753   7.3897   14.213   9.4843   20.676   11.789   10.044   3.1553   11.903   3.4726 -1.858926 4.691970 
1 1 1   25    4   41 o   15.154   1.9454   31.956   7.7355   29.268   10.960   34.624   10.919   14.186   2.9716   15.548   2.7136 -1.361252 4.024132 
1 1 1   25    4   42 o   48.542   1.0676  318.600   13.919  321.241   18.045  314.720   21.872   48.631   1.3815   47.998   1.6966 0.6337814 2.187917 
1 1 1   25    4   43 o   26.207   1.5801   94.105   11.070   84.309   16.198  102.688   15.163   24.434   2.5035   27.181   2.0931 -2.746670 3.263275 
1 1 1   25    4   44 o   27.707   1.4303  104.987   10.607  108.718   15.731  101.876   14.364   27.903   2.1147   27.066   1.9899 0.8375263 2.903712 
1 1 1   25    4   45 o   8.1916   3.0197   8.2810   8.7586  -4.0104   11.852   23.068   13.000   6.8118   3.0697   12.241   3.6663 -5.429275 4.781705 
1 1 1   25    4   46 o   34.755   1.2047  164.574   11.246  166.161   15.831  162.957   15.978   34.678   1.6997   34.278   1.7411 0.3993301 2.433193 
1 1 1   25    4   47 o   11.626   2.8999   20.586   9.0251   42.558   13.142   0.9749   12.416   16.765   3.0300   7.5601   3.2850 9.205362 4.468991 
1 1 1   25    4   48 o   24.926   1.9079   87.754   12.677   60.922   20.736  103.767   16.019   19.057   4.1672   26.873   2.2397 -7.816298 4.730933 
1 1 1   25    5  -43 o   22.326   3.3288   73.897   19.351   0.0000   0.0000   73.897   19.351  ?   ?    22.326   3.3288 0.000000 3.328782 
1 1 1   25    5  -42 o   17.159   3.5296   44.173   15.724   38.596   18.583   58.230   29.503   15.703   4.2861   18.603   5.5122 -2.900332 6.982422 
1 1 1   25    5  -41 o   6.6984   3.0196  -4.6463   11.479  -2.4756   16.391  -6.7356   16.081   8.3734   3.7019   7.8108   3.5425 0.5626006 5.123832 
1 1 1   25    5  -40 o   21.237   1.7094   61.940   9.6679   79.616   14.219   46.744   13.184   23.918   2.2395   18.077   2.8064 5.841217 3.590407 
1 1 1   25    5  -39 o   33.678   1.2407  153.544   11.223  164.468   16.049  143.090   15.700   34.727   1.7206   32.315   1.8162 2.411777 2.501809 
1 1 1   25    5  -38 o   23.873   1.5633   77.792   9.9688   90.523   13.970   64.585   14.229   25.618   2.0475   21.460   2.5165 4.158607 3.244169 
1 1 1   25    5  -37 o   25.501   1.4600   88.524   9.9585   79.347   13.925   98.132   14.248   23.934   2.1904   26.700   2.0013 -2.765963 2.966955 
1 1 1   25    5  -36 o   7.5288   2.9904   4.6191   9.0333   19.535   12.119 -14.0275   13.550   11.636   3.5523   6.3919   3.0173 5.244504 4.660725 
1 1 1   25    5  -35 o   23.114   2.0208   73.674   12.420   73.060   18.586   74.169   16.694   22.610   3.1458   22.937   2.7655 -0.3274670 4.188552 
1 1 1   25    5  -34 o   17.953   1.9315   44.515   9.1668   59.557   13.001   29.645   12.927   20.660   2.3869   14.205   3.4275 6.454806 4.176726 
1 1 1   25    5  -33 o   6.9541   2.8178   3.1315   8.1887   3.5300   11.287   2.6887   11.898   7.9651   3.2772   7.9887   3.3326 -0.2357244E-01 4.674047 
1 1 1   25    5  -32 o   11.115   3.4701   17.473   11.491   23.680   16.580   11.735   15.941   12.886   4.1855   10.490   4.0282 2.395321 5.808989 
1 1 1   25    5  -31 o   35.319   1.1530  168.420   10.938  178.433   15.288  157.922   15.655   36.271   1.5693   34.048   1.7173 2.223045 2.326380 
1 1 1   25    5  -30 o   23.361   1.4351   74.134   8.9614   70.861   12.532   77.560   12.820   22.696   2.0789   23.766   2.0278 -1.069723 2.904052 
1 1 1   25    5  -29 o   12.261   2.5068   21.353   7.9770   26.108   11.048   16.173   11.530   13.457   3.1177   10.834   3.4876 2.622486 4.677958 
1 1 1   25    5  -28 o   28.175   1.2544  107.174   9.4928   97.993   13.244  116.874   13.613   26.797   1.8515   29.302   1.7374 -2.505264 2.539052 
1 1 1   25    5  -27 o   44.398   1.0280  265.621   12.259  270.953   17.274  260.210   17.402   44.770   1.4365   43.865   1.4770 0.9047356 2.060381 
1 1 1   25    5  -26 o   58.299   0.9967  457.827   15.606  458.804   22.106  456.857   22.035   58.272   1.4124   58.149   1.4108 0.1233368 1.996343 
1 1 1   25    5  -25 o   12.121   2.4800   20.791   7.8019   3.5736   11.155   37.278   10.916   8.0028   3.2713   16.315   2.5766 -8.312107 4.164176 
1 1 1   25    5  -24 o   19.559   1.8430   52.317   9.5677   57.635   15.761   49.214   12.040   20.261   2.9858   18.836   2.4369 1.424812 3.854031 
1 1 1   25    5  -23 o   44.243   1.1745  263.881   13.957  267.673   17.156  256.460   24.000   44.518   1.4348   43.446   2.0567 1.071930 2.507707 
1 1 1   25    5  -22 o   31.927   1.2214  137.434   10.473  155.271   13.820  113.368   16.052   33.899   1.5179   28.814   2.0883 5.084381 2.581675 
1 1 1   25    5  -21 o   21.136   1.5211   60.656   8.5776   60.330   11.791   61.022   12.501   20.971   2.1226   21.066   2.2440 -0.9546471E-01 3.088803 
1 1 1   25    5  -20 o   27.527   1.2410  102.146   9.1752   97.747   12.719  106.919   13.248   26.817   1.7759   28.054   1.7673 -1.236792 2.505386 
1 1 1   25    5  -19 o   63.791   1.1390  548.150   19.515  561.004   24.159  524.021   33.101   64.485   1.3949   62.180   1.9820 2.305695 2.423632 
1 1 1   25    5  -18 f   38.066   1.0215  195.048   10.443  194.714   14.889  195.371   14.652   37.987   1.4593   38.054   1.4336 -0.6723022E-01 2.045612 
1 1 1   25    5  -17 o   38.300   1.3323  197.738   13.705  206.400   32.620  195.881   15.102   38.672   3.1683   38.103   1.4757 0.5683708 3.495121 
1 1 1   25    5  -16 o   19.871   1.7122   53.730   9.0490   56.554   16.268   52.465   10.889   20.103   3.1135   19.568   2.1049 0.5352268 3.758279 
1 1 1   25    5  -15 o   37.944   1.1243  193.825   11.458  173.001   16.755  212.119   15.704   35.788   1.7431   39.660   1.4742 -3.872746 2.282968 
1 1 1   25    5  -14 o   63.714   0.9709  546.101   16.615  547.273   23.487  544.927   23.507   63.728   1.3722   63.590   1.3763 0.1373978 1.943505 
1 1 1   25    5  -13 o   28.551   0.8738  109.621   6.7012  100.960   7.9338  131.180   12.517   27.391   1.0784   31.194   1.4940 -3.802654 1.842585 
1 1 1   25    5  -12 o   44.572   0.7051  267.021   8.4415  266.596   12.011  267.435   11.866   44.518   1.0045   44.589   0.9908 -0.7099152E-01 1.410964 
1 1 1   25    5  -11 o   54.443   0.7609  398.424   11.126  374.230   16.488  418.652   15.076   52.732   1.1641   55.789   1.0061 -3.057156 1.538651 
1 1 1   25    5  -10 o   46.699   0.7597  293.135   9.5291  289.235   12.822  297.947   14.242   46.370   1.0295   47.056   1.1269 -0.6856651 1.526316 
1 1 1   25    5   -9 o   22.433   1.0574   67.692   6.3710   63.902   8.0578   74.013   10.406   21.739   1.3873   23.369   1.6688 -1.630188 2.170145 
1 1 1   25    5   -8 o   59.110   0.7706  469.634   12.234  466.859   18.195  471.922   16.528   58.904   1.1500   59.233   1.0388 -0.3289528 1.549770 
1 1 1   25    5   -7 o   38.365   0.9157  197.900   9.4358  195.364   16.003  199.252   11.683   38.075   1.5648   38.484   1.1303 -0.4087257 1.930310 
1 1 1   25    5   -6 o   65.793   0.7948  581.831   14.046  583.486   20.912  580.470   18.959   65.851   1.1823   65.692   1.0745 0.1593552 1.597658 
1 1 1   25    5   -5 o   24.185   0.9181   78.644   5.9638   74.051   8.6094   82.881   8.2692   23.412   1.3752   24.817   1.2406 -1.404919 1.852071 
1 1 1   25    5   -4 o   54.007   0.7346  391.986   10.657  384.715   15.052  399.293   15.090   53.483   1.0478   54.489   1.0310 -1.005150 1.470018 
1 1 1   25    5   -3 f   67.697   0.7725  615.957   14.047  619.865   19.984  612.139   19.749   67.885   1.0960   67.461   1.0900 0.4237976 1.545714 
1 1 1   25    5   -2 o  115.781   1.0271  1802.77   31.940  1786.45   44.971  1819.37   45.372  115.175   1.4537  116.232   1.4533 -1.056625 2.055587 
1 1 1   25    5   -1 o   15.138   1.3953   31.114   5.6094   31.939   7.8496   30.253   8.0190   15.260   1.9605   14.826   2.0701 0.4332542 2.851165 
1 1 1   25    5    0 o   54.476   0.8723  398.934   12.763  429.107   19.503  376.334   16.879   56.465   1.2859   52.888   1.1882 3.577656 1.750852 
1 1 1   25    5    1 o   58.991   0.7913  467.731   12.538  461.663   16.828  475.304   18.799   58.588   1.0694   59.437   1.1775 -0.8497620 1.590663 
1 1 1   25    5    2 o   47.390   0.7855  301.844   9.9976  297.626   13.420  307.105   14.987   47.042   1.0621   47.777   1.1679 -0.7357750 1.578631 
1 1 1   25    5    3 f   25.128   1.0495   84.923   7.0835   87.944   9.5097   81.159   10.617   25.519   1.3927   24.487   1.6234 1.032452 2.138935 
1 1 1   25    5    4 o   48.022   0.7885  309.962   10.171  312.488   13.823  306.981   15.018   48.201   1.0677   47.767   1.1705 0.4339523 1.584366 
1 1 1   25    5    5 o   22.116   1.1357   65.972   6.7233   63.180   9.1876   69.190   9.8649   21.594   1.5953   22.598   1.6363 -1.004206 2.285326 
1 1 1   25    5    6 o   77.436   0.8548  806.099   17.778  790.408   23.821  825.827   26.710   76.647   1.1571   78.330   1.2696 -1.683708 1.717767 
1 1 1   25    5    7 o   34.652   0.8498  161.423   7.9091  165.261   10.622  156.646   11.848   35.048   1.1284   34.113   1.2931 0.9353638 1.716236 
1 1 1   25    5    8 o   18.601   1.2344   46.771   6.1322   43.842   8.0559   50.808   9.4560   17.953   1.6906   19.316   1.8450 -1.363817 2.502456 
1 1 1   25    5    9 o   25.397   0.9957   86.747   6.7921   86.549   8.9356   87.017   10.453   25.320   1.3185   25.364   1.5417 -0.4427910E-01 2.028592 
1 1 1   25    5   10 o   18.215   1.2708   44.882   6.1783   43.138   7.9719   47.505   9.7764   17.805   1.6871   18.648   1.9822 -0.8433552 2.602991 
1 1 1   25    5   11 o   27.624   0.9565  102.627   7.0967  108.483   9.3279   94.579   10.935   28.388   1.2234   26.443   1.5464 1.945084 1.971777 
1 1 1   25    5   12 o   26.125   0.9470   91.797   6.6454   83.026   9.1185  101.732   9.7050   24.788   1.3750   27.484   1.3147 -2.696142 1.902383 
1 1 1   25    5   13 o   4.2657   2.0126  -6.7989   6.0150  -0.4461   8.1517 -14.3923   8.9122   6.2795   2.6947   4.7420   2.2933 1.537503 3.538451 
1 1 1   25    5   14 o   26.644   0.9531   95.497   6.8206  104.997   9.4658   85.238   9.8363   27.921   1.2622   25.102   1.4653 2.818830 1.933983 
1 1 1   25    5   15 o   47.138   0.7685  298.737   9.7292  299.920   13.632  297.509   13.890   47.205   1.0752   47.013   1.1000 0.1925011 1.538174 
1 1 1   25    5   16 o   36.477   0.8154  178.928   7.9892  186.224   11.229  171.449   11.369   37.191   1.1241   35.680   1.1864 1.511044 1.634356 
1 1 1   25    5   17 o   13.141   1.7346   23.735   5.9727   25.879   8.3918   21.535   8.5027   13.608   2.3828   12.343   2.6443 1.264783 3.559558 
1 1 1   25    5   18 f   53.393   0.8050  383.408   11.544  364.341   15.526  406.978   17.263   52.014   1.1114   54.966   1.1693 -2.951221 1.613195 
1 1 1   25    5   19 o   46.002   0.7982  284.615   9.8625  294.767   13.821  274.080   14.078   46.783   1.0999   45.105   1.1621 1.678925 1.600056 
1 1 1   25    5   20 o   28.026   0.9560  105.724   7.1968  107.183   9.9168  104.099   10.460   28.192   1.3097   27.739   1.4086 0.4528656 1.923412 
1 1 1   25    5   21 o   37.111   0.8501  185.299   8.4731  183.561   11.810  187.143   12.164   36.904   1.1914   37.259   1.2155 -0.3556099 1.702023 
1 1 1   25    5   22 o   32.855   0.8904  145.268   7.8572  151.171   10.932  138.963   11.300   33.485   1.2156   32.094   1.3109 1.390747 1.787743 
1 1 1   25    5   23 o   20.213   1.2414   55.308   6.7070   59.442   9.1840   50.584   9.8181   20.896   1.6497   19.216   1.9283 1.680485 2.537703 
1 1 1   25    5   24 o   8.0084   2.5880   8.5457   6.3445   6.1649   9.3014   10.617   8.6761   8.0230   3.0779   9.0294   3.0314 -1.006386 4.320064 
1 1 1   25    5   25 o   32.502   0.9890  142.273   8.6333  139.250   11.287  146.535   13.402   32.120   1.3083   32.921   1.5157 -0.8011856 2.002245 
1 1 1   25    5   26 o   56.953   0.8596  436.597   13.150  448.721   19.584  426.644   17.745   57.663   1.2645   56.245   1.1746 1.417568 1.725858 
1 1 1   25    5   27 o   15.766   1.6568   34.037   6.9111   47.760   10.112   22.006   9.4676   18.624   2.0556   12.396   2.8958 6.227869 3.551250 
1 1 1   25    5   28 o   20.501   1.3677   57.048   7.4881   56.027   9.9451   58.386   11.378   20.227   1.8511   20.600   2.0852 -0.3727322 2.788278 
1 1 1   25    5   29 o   21.071   1.2909   60.197   7.2703   57.820   9.5513   63.473   11.210   20.567   1.7455   21.508   1.9622 -0.9411182 2.626207 
1 1 1   25    5   30 o   35.410   0.9488  168.963   9.0236  168.398   11.924  169.719   13.803   35.306   1.2575   35.409   1.4514 -0.1032829 1.920351 
1 1 1   25    5   31 o   9.0154   2.7093   11.373   7.0905   13.356   9.6247   9.0203   10.486   9.8694   3.1874   8.9139   3.3005 0.9555702 4.588336 
1 1 1   25    5   32 o   17.494   1.5656   41.850   7.2784   53.945   10.374   30.127   10.214   19.783   1.9790   14.534   2.7164 5.249179 3.360806 
1 1 1   25    5   33 o   32.847   0.9844  145.527   8.6846  151.267   12.122  139.474   12.449   33.425   1.3502   32.076   1.4449 1.348331 1.977608 
1 1 1   25    5   34 o   46.390   1.0249  290.425   12.770  295.158   17.683  285.266   18.461   46.664   1.4108   45.849   1.4991 0.8158951 2.058607 
1 1 1   25    5   35 o   33.406   0.9910  150.572   8.8913  149.518   12.008  151.850   13.229   33.223   1.3457   33.453   1.4723 -0.2296371 1.994628 
1 1 1   25    5   36 o   28.759   1.1100  111.742   8.5743  121.730   11.507   99.274   12.857   29.958   1.4301   26.923   1.7881 3.034988 2.289627 
1 1 1   25    5   37 o   9.5100   2.8121   12.848   7.6848   9.7130   9.7169   18.083   12.557   8.8876   3.1946   11.303   3.6397 -2.415857 4.842784 
1 1 1   25    5   38 o   12.314   2.3901   21.608   7.6201   30.026   10.948   13.698   10.613   14.411   2.9284   10.024   3.3528 4.386550 4.451575 
1 1 1   25    5   39 o   35.160   1.1007  167.069   10.394  160.986   14.215  174.059   15.238   34.410   1.5380   35.766   1.5862 -1.355888 2.209414 
1 1 1   25    5   40 o   38.550   1.0656  200.851   11.034  199.508   15.094  202.393   16.169   38.313   1.4668   38.558   1.5613 -0.2454605 2.142248 
1 1 1   25    5   41 o   19.779   1.4466   53.488   7.6317   54.302   10.271   52.484   11.403   19.787   1.9584   19.358   2.2341 0.4286842 2.970973 
1 1 1   25    5   42 o   22.019   1.5612   66.519   9.1734   66.712   12.383   66.284   13.656   21.853   2.1372   21.681   2.3845 0.1716232 3.202075 
1 1 1   25    5   43 o   26.906   1.3289   98.570   9.6032  105.087   13.157   91.141   14.049   27.576   1.7860   25.551   2.0647 2.024811 2.729952 
1 1 1   25    5   44 o   37.511   1.1681  191.268   11.769  174.124   16.113  210.869   17.230   35.558   1.6871   39.158   1.6382 -3.600204 2.351606 
1 1 1   25    5   45 o   33.165   1.3509  150.453   12.033  128.427   18.237  167.435   16.014   30.072   2.2747   34.795   1.7135 -4.722805 2.847913 
1 1 1   25    5   46 o   20.449   2.0679   59.410   11.201   47.718   20.035   64.727   13.510   16.770   4.3949   21.144   2.4226 -4.374464 5.018358 
1 1 1   25    5   47 o   10.378   3.3572   16.724   10.674   36.925   16.738   2.8777   13.858   14.772   4.0826   8.0985   3.4946 6.673649 5.374047 
1 1 1   25    5   48 o   8.7032   3.5156   8.5881   12.704   32.169   18.955 -10.6444   17.118   13.368   4.4807   7.2869   3.4247 6.081364 5.639632 
1 1 1   25    6  -42 o   12.726   4.3688   24.650   18.026   0.0000   0.0000   24.650   18.026  ?   ?    12.726   4.3688 0.000000 4.368768 
1 1 1   25    6  -41 o   28.124   2.2724  110.766   17.019  111.537   20.401  109.000   30.864   27.961   2.7522   26.416   4.5121 1.545105 5.285233 
1 1 1   25    6  -40 o   11.454   3.4682   19.290   11.587   11.546   16.076   27.662   16.715   10.308   4.0212   13.504   4.1801 -3.195765 5.800296 
1 1 1   25    6  -39 o   6.1194   2.7626  -4.3184   9.6493  -5.7209   12.612  -2.3384   14.985   6.9365   3.1425   8.0434   3.5486 -1.106899 4.740002 
1 1 1   25    6  -38 o   6.3381   2.7433  -0.5496   8.5910  -1.6896   12.110   0.6055   12.190   7.3276   3.2127   7.6928   3.2980 -0.3652010 4.604168 
1 1 1   25    6  -37 o   30.917   1.2875  129.469   10.691  130.194   15.076  128.734   15.164   30.818   1.8295   30.637   1.8516 0.1814003 2.602968 
1 1 1   25    6  -36 o   23.642   1.5518   76.291   9.7989   80.898   13.707   71.476   14.013   24.179   2.1325   22.648   2.3372 1.530619 3.163893 
1 1 1   25    6  -35 o   18.023   2.0630   45.099   9.8067   46.089   13.095   43.834   14.797   17.985   2.8021   17.350   3.2958 0.6348648 4.326012 
1 1 1   25    6  -34 o   21.509   2.2140   64.256   12.608   63.462   18.989   64.882   16.860   20.875   3.5113   21.318   3.0299 -0.4425621 4.637884 
1 1 1   25    6  -33 o   32.392   1.2227  141.933   10.638  146.689   14.934  137.035   15.156   32.777   1.7022   31.650   1.7902 1.127438 2.470280 
1 1 1   25    6  -32 o   31.019   1.2350  130.146   10.289  136.810   14.483  123.355   14.621   31.656   1.7097   30.021   1.8219 1.635002 2.498458 
1 1 1   25    6  -31 o   21.823   2.2384   66.035   12.935   59.244   18.521   72.501   18.072   20.191   3.5445   22.586   3.0577 -2.394913 4.681131 
1 1 1   25    6  -30 o   26.174   1.5320   93.233   10.723   95.853   17.313   91.602   13.658   26.265   2.4837   25.829   1.9839 0.4361763 3.178781 
1 1 1   25    6  -29 o   24.628   1.3885   82.337   9.1474   74.407   12.608   91.152   13.292   23.261   2.0385   25.791   1.9329 -2.530235 2.809193 
1 1 1   25    6  -28 o   49.949   1.0129  336.347   13.589  334.858   19.145  337.859   19.291   49.742   1.4330   49.963   1.4375 -0.2212181 2.029749 
1 1 1   25    6  -27 o   49.381   1.0158  328.681   13.473  328.401   18.963  328.966   19.145   49.270   1.4329   49.310   1.4456 -0.3921509E-01 2.035414 
1 1 1   25    6  -26 o   33.001   1.1624  146.932   10.304  152.611   14.404  140.982   14.745   33.565   1.5978   32.196   1.7112 1.368576 2.341192 
1 1 1   25    6  -25 o   45.848   1.0143  283.238   12.490  283.800   17.736  282.685   17.592   45.816   1.4413   45.727   1.4324 0.8816147E-01 2.032000 
1 1 1   25    6  -24 o   20.214   1.5352   55.592   8.2729   54.791   11.741   56.381   11.659   19.926   2.2322   20.228   2.1803 -0.3024273 3.120338 
1 1 1   25    6  -23 o   48.829   1.1584  321.497   15.193  324.745   26.915  319.978   18.406   48.865   2.0507   48.667   1.4081 0.1984062 2.487598 
1 1 1   25    6  -22 o   80.329   1.0679  869.475   23.041  881.513   32.886  857.869   32.291   80.747   1.5163   79.659   1.5092 1.087822 2.139390 
1 1 1   25    6  -21 o   23.788   1.6047   76.891   10.193   88.067   12.400   53.610   17.898   25.424   1.8282   19.354   3.5748 6.069756 4.015176 
1 1 1   25    6  -20 o   11.835   3.2327   19.980   10.567   28.018   12.637   1.2966   19.266   13.954   3.4024   9.7719   4.1666 4.181609 5.379287 
1 1 1   25    6  -19 o   28.796   1.2006  111.788   9.2858  103.065   13.079  120.654   13.186   27.531   1.7782   29.821   1.6527 -2.289339 2.427651 
1 1 1   25    6  -18 o   63.707   1.2353  547.188   21.137  526.968   27.242  577.774   33.505   62.431   1.6246   65.287   1.9107 -2.856350 2.508028 
1 1 1   25    6  -17 o   19.184   1.6019   50.077   8.1787   47.030   11.499   53.195   11.634   18.440   2.3772   19.658   2.2437 -1.218319 3.268787 
1 1 1   25    6  -16 o   54.587   0.9742  401.057   14.283  397.638   20.338  404.384   20.064   54.290   1.3947   54.754   1.3643 -0.4640388 1.951059 
1 1 1   25    6  -15 o   17.255   1.7451   40.664   7.9766   45.733   11.466   35.909   11.104   18.183   2.4069   16.018   2.6754 2.165312 3.598713 
1 1 1   25    6  -14 o   43.053   0.8770  249.346   10.141  251.026   13.036  246.770   16.138   43.175   1.1242   42.775   1.4046 0.4003448 1.799103 
1 1 1   25    6  -13 o   52.925   0.7678  376.629   10.915  406.083   17.272  357.049   14.083   54.911   1.1711   51.507   1.0180 3.403973 1.551697 
1 1 1   25    6  -12 o   24.338   0.9135   79.678   5.9712   77.241   9.2517   81.418   7.8173   23.889   1.4487   24.588   1.1837 -0.6989498 1.870816 
1 1 1   25    6  -11 o   56.205   0.7250  424.664   10.945  410.077   15.373  439.659   15.587   55.202   1.0368   57.161   1.0152 -1.958839 1.451119 
1 1 1   25    6  -10 o   39.209   0.7308  206.665   7.6962  213.503   11.139  200.419   10.645   39.833   1.0412   38.594   1.0270 1.238770 1.462442 
1 1 1   25    6   -9 o   30.599   0.7998  125.888   6.5732  118.848   9.4607  132.458   9.1394   29.711   1.1855   31.373   1.0846 -1.661507 1.606805 
1 1 1   25    6   -8 o   14.818   1.4847   29.894   5.8297   16.716   10.530   35.719   7.0005   10.995   3.3011   16.191   1.6321 -5.195976 3.682544 
1 1 1   25    6   -7 o   38.076   0.8295  194.926   8.4835  205.733   12.361  185.304   11.664   39.095   1.1772   37.103   1.1705 1.991238 1.660040 
1 1 1   25    6   -6 o   33.337   0.8317  149.417   7.4471  135.278   11.119  160.921   10.029   31.694   1.3061   34.583   1.0797 -2.888939 1.694617 
1 1 1   25    6   -5 o   77.204   0.8524  801.394   17.675  820.252   26.594  786.473   23.656   78.051   1.2686   76.445   1.1522 1.606705 1.713676 
1 1 1   25    6   -4 o  121.659   1.1143  1991.61   36.413  1981.60   53.889  2000.02   49.396  121.209   1.6553  121.816   1.5097 -0.6062775 2.240350 
1 1 1   25    6   -3 o   78.563   0.8200  829.758   17.304  820.505   24.393  839.131   24.550   78.082   1.1631   78.964   1.1575 -0.8821182 1.640944 
1 1 1   25    6   -2 o   22.371   0.9989   67.317   6.0022   57.916   8.5248   76.558   8.4524   20.671   1.5466   23.807   1.3271 -3.135693 2.037983 
1 1 1   25    6   -1 o   80.951   0.9188  881.203   19.978  903.669   28.619  859.849   27.902   81.923   1.3006   79.912   1.2999 2.010864 1.838894 
1 1 1   25    6    0 o   25.251   0.9458   85.749   6.4148   84.601   9.1118   86.877   9.0326   25.027   1.3607   25.365   1.3305 -0.3385239 1.903021 
1 1 1   25    6    1 o   33.711   0.8859  152.807   8.0210  160.717   11.333  144.867   11.354   34.554   1.2211   32.802   1.2887 1.752377 1.775363 
1 1 1   25    6    2 o   48.935   0.7507  321.870   9.8672  316.276   13.877  327.590   14.033   48.486   1.0656   49.346   1.0588 -0.8601761 1.502153 
1 1 1   25    6    3 o   36.518   0.8776  179.305   8.6077  177.801   10.903  181.794   14.024   36.351   1.1168   36.734   1.4213 -0.3836555 1.807572 
1 1 1   25    6    4 o   75.155   0.9870  759.715   19.924  789.856   28.368  730.374   27.989   76.575   1.3793   73.630   1.4153 2.945648 1.976215 
1 1 1   25    6    5 o   57.970   0.8361  451.816   13.019  467.326   16.929  429.371   20.366   58.936   1.0694   56.462   1.3429 2.473919 1.716736 
1 1 1   25    6    6 o  146.591   1.2911  2893.77   50.836  2883.13   68.646  2906.70   75.649  146.155   1.7487  146.676   1.9202 -0.5207062 2.597144 
1 1 1   25    6    7 o   19.914   1.1652   53.563   6.2055   56.722   8.3580   49.682   9.2636   20.455   1.5325   19.094   1.8286 1.360212 2.385871 
1 1 1   25    6    8 o   12.028   1.8589   19.996   5.8120   22.566   7.8134   16.814   8.6960   12.700   2.3780   10.920   2.9117 1.780326 3.759319 
1 1 1   25    6    9 o   48.424   0.7553  315.223   9.8241  317.197   13.843  313.221   13.944   48.551   1.0616   48.244   1.0761 0.3066101 1.511590 
1 1 1   25    6   10 o   51.466   0.7609  356.094   10.518  351.327   14.749  361.027   15.004   51.093   1.0748   51.793   1.0785 -0.7001305 1.522635 
1 1 1   25    6   11 o   35.351   0.8239  168.048   7.8232  159.285   10.850  177.538   11.290   34.394   1.1745   36.313   1.1576 -1.918591 1.649103 
1 1 1   25    6   12 o   49.370   0.8492  327.800   11.260  322.937   15.605  333.083   16.264   48.969   1.1864   49.728   1.2177 -0.7595596 1.700120 
1 1 1   25    6   13 o   19.463   1.1786   51.205   6.1320   58.069   8.5474   43.927   8.8021   20.685   1.5497   17.928   1.8548 2.757469 2.416973 
1 1 1   25    6   14 o   18.672   1.1971   47.159   5.9721   46.854   8.3339   47.480   8.5624   18.545   1.6917   18.664   1.7276 -0.1188908 2.417948 
1 1 1   25    6   15 o   22.203   1.0805   66.378   6.4435   81.052   8.9671   50.713   9.2650   24.477   1.3694   19.278   1.8105 5.199137 2.270128 
1 1 1   25    6   16 o   54.960   0.8123  406.290   11.991  432.991   17.626  383.282   16.361   56.692   1.1575   53.341   1.1420 3.351116 1.626061 
1 1 1   25    6   17 o   36.136   0.8736  175.697   8.4790  179.831   11.517  170.804   12.529   36.531   1.1737   35.588   1.3108 0.9435234 1.759514 
1 1 1   25    6   18 o   22.817   1.0992   70.135   6.7364   73.541   9.2261   66.247   9.8586   23.289   1.4827   22.069   1.6757 1.220495 2.237489 
1 1 1   25    6   19 o   54.236   0.7950  395.708   11.581  407.990   16.277  383.116   16.480   55.029   1.1012   53.318   1.1508 1.711781 1.592815 
1 1 1   25    6   20 o   46.325   0.8048  288.708   10.014  283.311   13.890  294.550   14.450   45.850   1.1279   46.747   1.1509 -0.8972321 1.611439 
1 1 1   25    6   21 o   17.992   1.3535   43.943   6.4929   37.595   8.9182   51.103   9.4714   16.510   2.0557   19.328   1.8470 -2.817989 2.763511 
1 1 1   25    6   22 o   21.147   1.1966   60.498   6.7689   66.134   9.4026   54.435   9.7524   22.052   1.5983   19.952   1.8406 2.100391 2.437678 
1 1 1   25    6   23 o   30.901   1.0063  128.627   8.3524  131.064   12.292  126.537   11.384   31.139   1.4697   30.607   1.3848 0.5313091 2.019343 
1 1 1   25    6   24 o   10.589   2.6015   15.974   7.3458   24.039   9.9592   6.3504   10.879   12.961   2.9298   8.4638   3.3062 4.496752 4.417499 
1 1 1   25    6   25 o   42.926   0.8860  248.091   10.215  257.658   15.038  239.893   13.920   43.685   1.2816   42.161   1.2292 1.523884 1.775785 
1 1 1   25    6   26 o   11.879   2.0680   19.759   6.3585   31.943   8.6833   5.6709   9.3367   15.149   2.1982   7.8999   3.0693 7.249478 3.775259 
1 1 1   25    6   27 o   32.427   1.0213  141.741   8.8952  147.730   13.458  137.094   11.854   33.031   1.5169   31.842   1.3860 1.189821 2.054750 
1 1 1   25    6   28 o   31.211   1.0379  131.354   8.7008  153.423   12.953  113.209   11.745   33.670   1.4323   28.870   1.5201 4.800188 2.088556 
1 1 1   25    6   29 o   15.200   1.7177   31.780   6.8896   35.536   9.6091   27.807   9.8836   15.943   2.3114   13.959   2.7340 1.984181 3.580184 
1 1 1   25    6   30 o  109.902   1.1262  1630.87   33.243  1617.04   46.218  1645.69   47.851  109.154   1.5764  110.085   1.6184 -0.9315872 2.259252 
1 1 1   25    6   31 o   20.599   1.3654   57.709   7.5117   64.525   9.9965   48.868   11.385   21.708   1.7288   18.720   2.3134 2.987902 2.888047 
1 1 1   25    6   32 o   37.014   0.9703  184.805   9.6463  171.338   12.462  204.938   15.237   35.577   1.3041   38.870   1.4594 -3.293301 1.957219 
1 1 1   25    6   33 o   43.961   1.0576  260.947   12.488  271.690   16.187  245.151   19.627   44.782   1.3457   42.421   1.7226 2.361252 2.185957 
1 1 1   25    6   34 o   15.361   1.8623   32.679   7.5266   37.308   9.5223   24.973   12.287   16.328   2.2296   13.022   3.4557 3.305650 4.112504 
1 1 1   25    6   35 o   30.746   1.0547  127.665   8.7096  126.377   11.685  129.275   13.064   30.520   1.4255   30.792   1.5850 -0.2719860 2.131704 
1 1 1   25    6   36 o   12.185   2.4857   21.254   7.8596   21.057   9.7592   21.619   13.258   12.018   3.0254   12.182   3.7147 -0.1636362 4.790852 
1 1 1   25    6   37 o   31.330   1.1341  132.701   9.5436  135.249   12.109  128.521   15.506   31.568   1.4281   30.596   1.8962 0.9724598 2.373846 
1 1 1   25    6   38 o   17.645   1.7329   42.882   8.1070   40.208   10.133   47.638   13.512   16.924   2.2879   18.247   2.8502 -1.323006 3.654884 
1 1 1   25    6   39 o   26.766   1.1597   96.965   8.3371   90.666   11.235  104.683   12.437   25.734   1.6340   27.644   1.6830 -1.909365 2.345725 
1 1 1   25    6   40 o   22.599   1.3946   69.692   8.4237   70.805   12.028   68.620   11.801   22.593   2.0030   22.241   1.9967 0.3516445 2.828196 
1 1 1   25    6   41 o   21.536   1.7232   63.984   9.8840   59.721   14.759   67.450   13.309   20.384   2.7673   21.897   2.2972 -1.512524 3.596539 
1 1 1   25    6   42 o   15.999   2.0406   36.044   8.5691   28.767   11.694   44.483   12.593   13.824   3.2109   17.488   2.7736 -3.663926 4.242968 
1 1 1   25    6   43 o   4.9761   2.3665  -9.8569   8.6361 -10.1925   11.776  -9.4664   12.703   6.0658   2.8476   6.4334   2.9996 -0.3675389 4.135969 
1 1 1   25    6   44 o   27.560   1.5525  104.871   11.446  126.745   18.003   90.032   14.828   29.864   2.2611   25.174   2.2156 4.689991 3.165680 
1 1 1   25    6   45 o   15.716   2.7187   36.801   11.061   40.531   16.625   33.839   14.816   15.720   3.9441   14.443   3.7766 1.277056 5.460641 
1 1 1   25    6   46 o   35.941   1.7272  180.317   16.673  138.804   23.701  220.993   23.461   30.365   2.9429   39.240   2.2352 -8.874826 3.695504 
1 1 1   25    6   47 o   28.503   2.2893  118.144   17.378   97.468   21.510  157.000   29.488   24.895   3.2980   31.265   3.5757 -6.369995 4.864470 
1 1 1   25    7  -41 f   8.8113   3.8103   1.9446   16.544   0.0000   0.0000   1.9446   16.544  ?   ?    8.8113   3.8103 0.000000 3.810301 
1 1 1   25    7  -40 o   7.9219   3.4901  -1.5025   14.446   5.8580   17.158 -19.4200   26.770   9.5353   3.9920   9.0897   4.2755 0.4455690 5.849413 
1 1 1   25    7  -39 o   16.562   2.9718   39.984   12.734   21.339   17.564   60.644   18.489   12.230   4.3056   20.196   3.5373 -7.966405 5.572347 
1 1 1   25    7  -38 o   17.780   2.4116   44.667   11.220   38.839   12.998   61.710   22.226   16.312   3.0794   20.058   4.2572 -3.745613 5.254176 
1 1 1   25    7  -37 o   14.255   2.3938   28.865   8.8405   27.854   12.293   29.946   12.722   13.710   3.3637   14.215   3.3814 -0.5042944 4.769545 
1 1 1   25    7  -36 o   15.221   2.2651   32.609   8.9780   33.549   12.441   31.587   12.969   15.152   3.1594   14.627   3.3704 0.5241537 4.619648 
1 1 1   25    7  -35 o   16.792   2.0419   39.225   9.0199   49.890   12.787   28.663   12.725   18.783   2.6048   13.924   3.4259 4.859071 4.303676 
1 1 1   25    7  -34 o   38.787   1.1582  203.448   12.066  199.046   16.799  208.139   17.341   38.233   1.6359   39.091   1.6516 -0.8584175 2.324611 
1 1 1   25    7  -33 o   23.461   2.2447   76.474   13.973   74.002   19.066   79.342   20.536   22.688   3.2191   23.440   3.3579 -0.7518673 4.651639 
1 1 1   25    7  -32 o   8.9762   2.9902   10.857   8.4425   17.541   11.710   3.6209   12.183   11.098   3.5086   8.1998   3.3924 2.898166 4.880412 
1 1 1   25    7  -31 o   41.121   1.1082  228.461   12.240  236.198   17.508  221.065   17.119   41.687   1.5636   40.324   1.5806 1.362801 2.223347 
1 1 1   25    7  -30 o   35.190   1.3611  167.769   12.865  170.400   16.034  163.014   21.556   35.382   1.6872   34.317   2.3528 1.064995 2.895247 
1 1 1   25    7  -29 o   32.964   1.4083  147.240   12.469  133.258   20.788  155.096   15.583   30.963   2.5215   33.714   1.7267 -2.750753 3.056071 
1 1 1   25    7  -28 o   21.727   1.5439   64.355   8.9508   76.923   12.714   52.003   12.604   23.645   2.0213   19.276   2.4928 4.368746 3.209328 
1 1 1   25    7  -27 o   25.419   1.3765   87.685   9.3624   78.907   12.945   97.312   13.557   23.959   2.0307   26.659   1.9059 -2.699137 2.785019 
1 1 1   25    7  -26 o   30.778   1.1915  127.904   9.8499  138.376   14.109  117.947   13.758   31.892   1.6528   29.414   1.7493 2.478306 2.406601 
1 1 1   25    7  -25 o   23.326   1.4670   73.929   9.1443   75.571   13.180   72.405   12.697   23.441   2.1162   22.949   2.0826 0.4914398 2.969136 
1 1 1   25    7  -24 o   64.230   1.0180  556.032   17.561  558.526   24.904  553.565   24.767   64.257   1.4430   63.972   1.4414 0.2855453 2.039590 
1 1 1   25    7  -23 o   20.775   1.8949   59.125   10.457   58.482   14.644   59.795   14.938   20.447   2.7350   20.671   2.7593 -0.2246132 3.885157 
1 1 1   25    7  -22 o   62.213   1.0873  521.769   18.168  485.544   27.874  548.529   23.957   59.839   1.7343   63.709   1.4000 -3.869564 2.228853 
1 1 1   25    7  -21 o   26.898   1.3570   97.966   9.7719   82.563   14.636  110.356   13.126   24.504   2.2489   28.483   1.7239 -3.979355 2.833589 
1 1 1   25    7  -20 o   44.848   1.0296  270.989   12.403  274.017   17.435  267.885   17.648   45.029   1.4415   44.515   1.4761 0.5134735 2.063200 
1 1 1   25    7  -19 o   76.847   1.2182  796.557   25.143  803.015   30.810  783.682   43.505   77.075   1.4883   75.880   2.1346 1.194244 2.602207 
1 1 1   25    7  -18 o   27.821   1.4718  104.878   10.958  104.251   13.307  106.198   19.317   27.676   1.7999   27.731   2.6247 -0.5450439E-01 3.182584 
1 1 1   25    7  -17 o   50.554   1.1225  344.428   15.241  366.428   19.237  307.334   24.979   52.098   1.3748   47.585   1.9544 4.513088 2.389503 
1 1 1   25    7  -16 o   38.172   1.1179  196.344   11.461  198.910   15.608  193.341   16.884   38.366   1.5146   37.802   1.6629 0.5648422 2.249330 
1 1 1   25    7  -15 o   96.259   1.1429  1248.61   29.549  1253.28   41.964  1244.02   41.615   96.271   1.6229   95.918   1.6153 0.3532639 2.289756 
1 1 1   25    7  -14 o   20.225   1.0676   55.242   5.7785   59.738   6.7695   43.170   11.093   21.018   1.2042   17.645   2.4032 3.372692 2.688002 
1 1 1   25    7  -13 o   5.5438   2.0351   3.3286   3.9722  -3.0910   5.1748   12.537   6.1977   4.4137   2.0048   9.4185   2.4328 -5.004858 3.152421 
1 1 1   25    7  -12 o   47.324   0.7264  301.135   9.2325  304.758   13.205  297.671   12.913   47.577   1.0334   47.022   1.0224 0.5551872 1.453703 
1 1 1   25    7  -11 f   36.251   0.8584  176.782   8.3578  192.616   12.015  161.939   11.634   37.811   1.1831   34.663   1.2495 3.147892 1.720773 
1 1 1   25    7  -10 o   65.462   0.8251  576.361   14.507  597.388   22.955  562.378   18.719   66.574   1.2838   64.628   1.0783 1.945549 1.676562 
1 1 1   25    7   -9 o   16.313   1.2534   36.070   5.4500   41.967   8.5006   31.954   7.1015   17.521   1.8335   15.275   1.7634 2.245964 2.543864 
1 1 1   25    7   -8 o   46.502   0.7653  290.768   9.5588  279.187   13.042  304.209   14.051   45.541   1.0662   47.534   1.1005 -1.993290 1.532319 
1 1 1   25    7   -7 o   7.5162   2.2354   7.7620   4.8453   5.9035   7.1931   9.3057   6.5558   7.4064   2.7354   8.3191   2.6247 -0.9127202 3.790978 
1 1 1   25    7   -6 o   23.729   1.2707   76.075   8.0691   65.844   13.390   81.908   10.111   21.908   2.3103   24.591   1.5386 -2.682381 2.775790 
1 1 1   25    7   -5 o   36.083   0.8489  175.099   8.2270  162.952   11.822  186.507   11.456   34.779   1.2655   37.219   1.1460 -2.439320 1.707322 
1 1 1   25    7   -4 o   67.602   0.8484  614.579   15.405  613.002   24.426  615.621   19.851   67.444   1.3484   67.628   1.0929 -0.1843567 1.735691 
1 1 1   25    7   -3 o   52.863   0.7799  375.723   11.073  364.079   16.436  385.401   14.984   51.999   1.1768   53.515   1.0424 -1.516121 1.572111 
1 1 1   25    7   -2 o   48.028   0.8460  310.194   10.913  307.481   15.679  312.744   15.200   47.782   1.2217   48.195   1.1742 -0.4123802 1.694463 
1 1 1   25    7   -1 o   91.018   0.9298  1114.33   22.731  1133.54   30.996  1091.99   33.434   91.737   1.2580   90.012   1.3829 1.724525 1.869477 
1 1 1   25    7    0 o   29.722   0.8605  118.803   6.8693  113.414   9.6615  124.313   9.7687   29.019   1.2396   30.384   1.1970 -1.365288 1.723191 
1 1 1   25    7    1 o   62.981   0.7731  533.290   13.077  526.896   18.488  539.692   18.500   62.566   1.1001   63.323   1.0877 -0.7567558 1.547071 
1 1 1   25    7    2 o   24.751   1.0586   82.447   7.0374   81.335   9.9912   83.542   9.9141   24.509   1.5253   24.845   1.4926 -0.3356552 2.134079 
1 1 1   25    7    3 o   53.058   0.8214  378.554   11.705  384.314   16.746  373.050   16.369   53.426   1.1670   52.638   1.1578 0.7877083 1.643849 
1 1 1   25    7    4 o   55.155   0.8778  409.139   13.004  408.586   15.909  410.254   22.576   55.097   1.0750   55.148   1.5241 -0.5056381E-01 1.865128 
1 1 1   25    7    5 o   38.537   0.8561  199.728   8.8616  203.194   12.282  195.964   12.799   38.845   1.1771   38.141   1.2494 0.7038155 1.716545 
1 1 1   25    7    6 o   17.040   1.4084   39.415   6.3883   39.521   8.3856   39.268   9.8617   16.995   1.8678   16.874   2.2306 0.1213188 2.909338 
1 1 1   25    7    7 o   37.081   0.8434  184.925   8.4005  191.774   11.357  176.652   12.482   37.741   1.1204   36.208   1.2835 1.533001 1.703741 
1 1 1   25    7    8 o   54.798   0.8012  403.810   11.793  403.652   15.957  404.000   17.505   54.757   1.0850   54.767   1.1900 -0.9925842E-02 1.610379 
1 1 1   25    7    9 o   65.413   0.8173  575.451   14.359  565.772   19.330  587.371   21.450   64.821   1.1102   66.030   1.2095 -1.209419 1.641791 
1 1 1   25    7   10 o   58.758   0.8094  464.332   12.774  470.421   17.346  457.116   18.883   59.107   1.0926   58.248   1.2069 0.8587952 1.628044 
1 1 1   25    7   11 f   38.161   0.9060  195.938   9.2863  198.032   12.895  193.681   13.385   38.332   1.2524   37.901   1.3148 0.4303474 1.815865 
1 1 1   25    7   12 o   94.606   0.9174  1204.38   23.311  1196.97   32.733  1211.99   33.205   94.222   1.2934   94.808   1.3040 -0.5861511 1.836642 
1 1 1   25    7   13 o   51.831   0.7763  361.317   10.808  360.781   15.137  361.875   15.437   51.756   1.0889   51.832   1.1088 -0.7564926E-01 1.554099 
1 1 1   25    7   14 o   22.416   1.0804   67.678   6.5045   67.369   9.0836   68.004   9.3184   22.280   1.5271   22.380   1.5599 -0.1002541 2.183001 
1 1 1   25    7   15 o   14.576   1.5756   29.046   6.0702   41.509   8.5285   16.249   8.6419   17.407   1.8526   10.707   2.9230 6.700181 3.460676 
1 1 1   25    7   16 o   34.952   0.8852  164.405   8.3099  160.352   11.184  169.400   12.416   34.487   1.2074   35.435   1.3046 -0.9479866 1.777577 
1 1 1   25    7   17 o   18.584   1.2794   46.813   6.3473   51.561   8.7172   41.454   9.2602   19.446   1.6857   17.357   2.0244 2.089409 2.634348 
1 1 1   25    7   18 o   5.1908   2.2434  -0.6199   5.7290   3.1517   7.7509  -5.1616   8.5055   6.8572   2.7544   5.6198   2.5594 1.237373 3.759939 
1 1 1   25    7   19 o   22.338   1.1464   67.444   6.8551   71.885   9.4081   62.418   10.009   23.006   1.5313   21.391   1.7576 1.615395 2.331056 
1 1 1   25    7   20 o   32.621   0.9195  143.275   8.0564  139.901   11.132  146.986   11.674   32.195   1.2874   32.996   1.3172 -0.8012733 1.841854 
1 1 1   25    7   21 o   9.5570   2.4065   12.968   6.1736   18.376   8.6128   7.2518   8.8539   11.338   2.8355   8.1603   3.0306 3.177945 4.150279 
1 1 1   25    7   22 o   43.415   0.8918  253.773   10.400  252.577   15.299  254.800   14.179   43.247   1.3171   43.455   1.2148 -0.2079163 1.791804 
1 1 1   25    7   23 o   46.088   0.9916  286.195   12.275  288.664   18.177  284.125   16.643   46.197   1.4649   45.857   1.3513 0.3402710 1.992962 
1 1 1   25    7   24 o   38.163   0.9220  196.165   9.4507  189.452   13.653  202.341   13.096   37.439   1.3577   38.709   1.2596 -1.269798 1.851950 
1 1 1   25    7   25 o   28.329   1.0417  108.204   7.9263  115.867   11.318  100.828   11.104   29.263   1.4400   27.244   1.5235 2.018614 2.096365 
1 1 1   25    7   26 o   38.549   0.9374  200.235   9.7062  213.192   14.284  189.121   13.230   39.707   1.3394   37.403   1.3169 2.304482 1.878320 
1 1 1   25    7   27 o   6.3667   2.5323   3.0518   6.4862   7.2721   8.9261  -1.6697   9.4413   8.1494   3.0397   6.4920   2.8418 1.657388 4.161197 
1 1 1   25    7   28 o   43.820   0.8555  258.682   10.069  258.558   13.945  258.817   14.553   43.746   1.1868   43.756   1.2383 -0.1027679E-01 1.715225 
1 1 1   25    7   29 o   42.615   0.8736  244.733   9.9993  244.371   13.873  245.125   14.426   42.515   1.2149   42.570   1.2617 -0.5443192E-01 1.751491 
1 1 1   25    7   30 o   4.4225   2.0858  -7.0045   6.4491  -4.9470   8.6060  -9.6398   9.7396   5.6547   2.5750   5.5069   2.5866 0.1478028 3.649808 
1 1 1   25    7   31 o   17.203   1.6518   40.634   7.5387   45.193   9.6919   33.651   11.995   18.054   2.0341   15.247   3.0359 2.807448 3.654364 
1 1 1   25    7   32 o   24.135   1.4505   79.333   9.3588   85.986   12.148   69.618   14.680   25.032   1.8192   22.295   2.4942 2.737476 3.087147 
1 1 1   25    7   33 o   29.242   1.1804  115.657   9.2710  114.261   11.427  118.347   15.860   28.971   1.4733   29.311   2.0270 -0.3403759 2.505897 
1 1 1   25    7   34 o   12.685   2.3942   22.925   7.8583   20.580   9.6791   27.459   13.460   11.876   3.0258   13.598   3.6209 -1.722030 4.718743 
1 1 1   25    7   35 o   28.635   1.2082  110.963   9.2926  107.541   12.043  116.000   14.609   28.065   1.6043   29.063   1.8816 -0.9984589 2.472694 
1 1 1   25    7   36 o   37.905   0.9543  193.906   9.7156  201.365   13.168  184.996   14.393   38.554   1.2717   36.905   1.4520 1.648823 1.930149 
1 1 1   25    7   37 o   5.5782   2.4507  -1.4512   7.0778   3.0201   9.4149  -7.2624   10.733   7.2802   2.9940   6.1287   2.8224 1.151555 4.114604 
1 1 1   25    7   38 o   9.1660   2.8602   11.861   7.8079   20.187   9.9560  -1.4406   12.584   11.710   3.1122   7.4780   3.2770 4.231507 4.519355 
1 1 1   25    7   39 o   28.315   1.1525  108.622   8.7649  111.080   11.785  105.578   13.112   28.493   1.5456   27.696   1.7719 0.7969761 2.351316 
1 1 1   25    7   40 o   26.952   1.3584   99.137   9.8020  115.627   13.427   80.321   14.343   28.971   1.7335   23.910   2.2602 5.061054 2.848426 
1 1 1   25    7   41 f   15.745   2.3687   35.524   9.7068   37.862   14.224   33.485   13.280   15.760   3.4554   14.824   3.4066 0.9359446 4.852307 
1 1 1   25    7   42 o   5.1596   2.4607 -11.1377   9.4766  -9.6809   14.525 -12.2174   12.505   6.9318   3.2238   6.0901   2.8820 0.8417320 4.324244 
1 1 1   25    7   43 o   10.940   3.2296   18.367   10.143   33.095   16.697   9.7521   12.770   14.180   4.1315   9.1363   3.5784 5.043652 5.465736 
1 1 1   25    7   44 o   9.2465   3.4644   11.502   11.620   11.214   15.326   11.891   17.823   9.6927   3.8802   10.129   4.1370 -0.4358482 5.671945 
1 1 1   25    7   45 o   26.811   2.1083  102.891   15.060  103.716   22.245  102.192   20.463   25.847   3.2779   25.940   2.9918 -0.9263611E-01 4.437990 
1 1 1   25    7   46 o   18.061   2.8796   50.079   13.500   35.637   18.987   64.844   19.198   13.944   4.4740   19.794   3.7482 -5.850347 5.836593 
1 1 1   25    8  -40 o   7.2688   3.3530  -8.5036   15.238   0.0000   0.0000  -8.5036   15.238  ?   ?    7.2688   3.3530 0.000000 3.352991 
1 1 1   25    8  -39 o   18.722   3.1830   51.908   15.433   53.337   17.862   47.700   30.656   18.703   3.6869   16.634   5.6976 2.068787 6.786469 
1 1 1   25    8  -38 o   31.002   1.8035  132.460   14.952  131.670   21.055  133.264   21.237   30.499   2.5949   30.680   2.6018 -0.1811848 3.674619 
1 1 1   25    8  -37 o   16.321   2.7057   38.305   11.446   31.256   13.032   62.080   23.933   14.460   3.4109   19.877   4.5774 -5.417427 5.708494 
1 1 1   25    8  -36 o   10.423   2.9499   15.790   8.6305   22.445   12.282   9.2993   12.130   12.300   3.5319   9.2064   3.5189 3.093124 4.985734 
1 1 1   25    8  -35 o   25.807   1.4501   90.781   10.010   93.760   14.084   87.739   14.231   26.047   2.0292   25.157   2.1260 0.8899784 2.939009 
1 1 1   25    8  -34 o   16.920   2.0316   39.836   9.0480   40.877   12.723   38.772   12.869   16.848   2.9173   16.354   3.0419 0.4946651 4.214667 
1 1 1   25    8  -33 o   45.123   1.0854  275.186   13.155  287.820   18.580  262.485   18.628   46.014   1.5033   43.915   1.5793 2.099358 2.180435 
1 1 1   25    8  -32 o   24.505   1.9380   82.750   12.651   89.607   20.062   78.223   16.301   25.059   3.0431   23.575   2.6186 1.483997 4.014678 
1 1 1   25    8  -31 o   27.197   1.4671  100.748   10.677   84.962   13.747  124.745   16.950   24.787   2.0843   30.055   2.1131 -5.267830 2.968070 
1 1 1   25    8  -30 o   59.897   1.0503  484.571   16.897  477.632   23.704  491.740   24.094   59.297   1.4883   60.165   1.4910 -0.8681412 2.106647 
1 1 1   25    8  -29 o   17.993   1.8802   44.704   8.9520   54.985   12.556   34.075   12.767   19.814   2.4089   15.281   3.2125 4.533877 4.015354 
1 1 1   25    8  -28 o   17.513   2.2868   42.884   10.500   39.684   13.630   47.554   16.468   16.544   3.1827   18.015   3.5296 -1.471056 4.752693 
1 1 1   25    8  -27 o   32.501   1.3829  143.115   12.072  143.081   20.818  143.132   14.818   32.120   2.4311   32.385   1.7096 -0.2647972 2.972050 
1 1 1   25    8  -26 o   17.098   2.2709   40.794   10.170   13.518   13.964   71.614   14.843   10.492   3.8211   22.666   2.4785 -12.17388 4.554535 
1 1 1   25    8  -25 o   5.0535   2.3507  -6.7157   7.7289  -6.7927   11.222  -6.6463   10.661   6.3996   2.9243   6.2190   2.8450 0.1806116 4.079906 
1 1 1   25    8  -24 o   43.154   1.1334  251.356   13.137  253.189   19.674  249.881   17.649   43.176   1.6965   42.938   1.5303 0.2381363 2.284734 
1 1 1   25    8  -23 o   9.6326   2.8700   13.040   7.9817   24.636   11.196   1.0577   11.382   13.043   3.2163   7.5943   3.2190 5.448623 4.550443 
1 1 1   25    8  -22 o   54.983   1.0119  407.496   14.944  421.308   21.591  394.794   20.704   55.802   1.4406   54.021   1.4269 1.780602 2.027631 
1 1 1   25    8  -21 o   51.486   1.0801  357.440   14.936  362.362   23.312  354.012   19.454   51.692   1.6790   51.165   1.4156 0.5270882 2.196179 
1 1 1   25    8  -20 o   12.275   2.8709   21.596   9.2967   40.177   16.808   13.406   11.159   16.580   3.8484   10.113   3.4377 6.466671 5.160268 
1 1 1   25    8  -19 o   32.922   1.1452  146.185   10.126  144.124   14.699  148.046   13.971   32.566   1.6862   33.069   1.5729 -0.5026855 2.305926 
1 1 1   25    8  -18 o   31.855   1.1758  136.877   10.060  125.755   14.168  148.186   14.287   30.406   1.7420   33.082   1.6079 -2.676308 2.370632 
1 1 1   25    8  -17 o   30.086   1.1836  122.089   9.5643  125.331   13.582  118.900   13.471   30.373   1.6713   29.574   1.7031 0.7984905 2.386157 
1 1 1   25    8  -16 o   52.316   1.3079  369.475   18.378  376.695   19.852  326.200   48.604   52.805   1.3997   48.113   3.7918 4.691380 4.041926 
1 1 1   25    8  -15 o   38.430   1.0148  198.943   10.475  198.943   10.475   0.0000   0.0000   38.430   1.0148  ?   ?  0.000000 1.014841 
1 1 1   25    8  -14 o   82.415   0.9284  914.448   20.551  929.202   26.394  891.731   32.752   83.012   1.1838   81.221   1.5013 1.791008 1.911867 
1 1 1   25    8  -13 o   35.133   0.8141  166.071   7.6822  155.520   11.427  174.774   10.377   33.955   1.2529   36.017   1.0727 -2.061810 1.649426 
1 1 1   25    8  -12 o   49.303   0.7703  326.984   10.201  316.209   13.467  341.484   15.623   48.453   1.0348   50.333   1.1556 -1.880955 1.551248 
1 1 1   25    8  -11 o   13.375   1.3794   24.400   4.8845   25.162   6.6984   23.535   7.1378   13.494   1.9008   12.999   2.1173 0.4955130 2.845375 
1 1 1   25    8  -10 o   38.726   0.7945  201.732   8.2641  214.814   12.646  191.980   10.918   39.922   1.1793   37.752   1.0767 2.170025 1.596947 
1 1 1   25    8   -9 o   25.313   0.9005   86.225   6.1226  103.350   8.9117   70.917   8.4259   27.690   1.1982   22.883   1.3773 4.807056 1.825585 
1 1 1   25    8   -8 o   38.370   0.7932  198.029   8.1744  198.233   12.335  197.870   10.916   38.351   1.1974   38.331   1.0603 0.2037811E-01 1.599379 
1 1 1   25    8   -7 o   18.220   1.2184   44.944   5.9283   52.044   9.2319   39.963   7.7335   19.531   1.7793   17.106   1.7059 2.424942 2.465010 
1 1 1   25    8   -6 o   10.892   1.9254   16.539   5.4264   22.554   8.3509   12.144   7.1391   12.643   2.5473   9.3265   2.6970 3.316179 3.709788 
1 1 1   25    8   -5 o   48.310   0.8641  313.982   11.212  311.704   19.526  315.103   13.695   48.047   1.5131   48.375   1.0540 -0.3283920 1.844021 
1 1 1   25    8   -4 o   72.501   0.9867  707.520   19.214  722.688   31.266  698.315   24.355   73.141   1.5915   71.977   1.2598 1.164871 2.029814 
1 1 1   25    8   -3 o   39.765   0.9084  212.765   9.7027  204.909   15.274  218.079   12.563   38.966   1.4595   40.235   1.1625 -1.268753 1.865867 
1 1 1   25    8   -2 o   18.243   1.3602   45.129   6.6166   54.859   9.5305   36.075   9.1933   20.060   1.7876   16.162   2.1728 3.897625 2.813608 
1 1 1   25    8   -1 o   21.445   1.1380   62.116   6.5313   60.544   9.8912   63.332   8.6970   21.086   1.7626   21.608   1.5080 -0.5222702 2.319674 
1 1 1   25    8    0 o   49.457   0.7573  328.919   10.060  337.018   14.306  320.995   14.149   50.031   1.0646   48.825   1.0790 1.205482 1.515761 
1 1 1   25    8    1 o   43.951   0.7674  259.767   9.0593  254.851   12.845  264.634   12.779   43.502   1.0993   44.332   1.0732 -0.8299484 1.536308 
1 1 1   25    8    2 o   14.113   1.6230   27.260   6.0404   31.058   8.6444   23.636   8.4439   14.967   2.2174   12.959   2.5166 2.007522 3.354136 
1 1 1   25    8    3 o   39.209   0.8613  206.818   9.0706  205.161   11.966  209.055   13.907   39.027   1.1416   39.376   1.3149 -0.3493271 1.741321 
1 1 1   25    8    4 o   24.141   1.0198   78.455   6.6125   82.249   9.3310   74.627   9.3721   24.650   1.4153   23.465   1.4948 1.184956 2.058524 
1 1 1   25    8    5 o   22.308   1.2045   67.256   7.1905   72.066   9.1500   59.489   11.627   23.058   1.4853   20.835   2.1068 2.223158 2.577727 
1 1 1   25    8    6 o   6.3670   2.4548   3.6512   5.9372  -1.0890   8.1078   9.1322   8.7184   6.1280   2.6587   8.6448   3.0342 -2.516734 4.034196 
1 1 1   25    8    7 o   22.692   1.1131   69.363   6.7845   68.767   8.9917   70.150   10.338   22.518   1.4952   22.711   1.7072 -0.1930256 2.269370 
1 1 1   25    8    8 o   59.168   0.8116  470.919   12.899  488.858   17.548  449.834   19.024   60.245   1.0844   57.767   1.2261 2.478218 1.636891 
1 1 1   25    8    9 o   41.172   0.8775  228.097   9.7035  227.299   13.816  228.873   13.632   41.058   1.2528   41.203   1.2318 -0.1446075 1.756932 
1 1 1   25    8   10 o   10.670   2.4537   16.135   6.8851   20.842   9.1111   9.8693   10.512   12.094   2.8514   9.1858   3.3200 2.908044 4.376370 
1 1 1   25    8   11 o   8.0171   2.5116   8.7065   6.0140   9.9132   7.9077   7.0510   9.2622   8.7054   2.8936   8.2281   3.0910 0.4773216 4.234063 
1 1 1   25    8   12 o   73.175   0.8256  720.443   16.227  715.888   22.752  725.160   23.150   72.876   1.1624   73.343   1.1752 -0.4674149 1.652897 
1 1 1   25    8   13 o   38.304   0.8302  197.424   8.5410  199.847   11.922  194.868   12.242   38.504   1.1528   38.015   1.1990 0.4884834 1.663254 
1 1 1   25    8   14 o   38.188   0.8667  196.274   8.8894  205.405   12.831  187.845   12.328   39.024   1.2241   37.318   1.2299 1.706112 1.735251 
1 1 1   25    8   15 o   21.646   1.1616   63.354   6.7286   59.252   9.1754   68.125   9.8968   20.857   1.6514   22.372   1.6589 -1.514664 2.340708 
1 1 1   25    8   16 o   52.183   0.8293  366.454   11.623  353.607   16.793  378.270   16.104   51.197   1.2212   52.969   1.1319 -1.772194 1.665078 
1 1 1   25    8   17 o   34.631   0.9233  161.490   8.5884  158.214   12.341  164.567   11.960   34.228   1.3424   34.918   1.2752 -0.6899490 1.851538 
1 1 1   25    8   18 o   68.937   0.8684  639.743   16.080  635.293   23.550  643.630   22.009   68.601   1.2781   69.074   1.1863 -0.4734039 1.743792 
1 1 1   25    8   19 o   49.648   0.9789  332.070   13.054  342.945   20.926  325.143   16.702   50.337   1.5478   49.076   1.2671 1.261032 2.000268 
1 1 1   25    8   20 o   47.438   0.8515  302.947   10.849  292.221   15.389  313.546   15.298   46.529   1.2314   48.206   1.1815 -1.677570 1.706576 
1 1 1   25    8   21 o   13.232   2.1406   24.465   7.3478   9.2171   10.721   37.974   10.091   9.0345   3.3389   16.504   2.3420 -7.470004 4.078340 
1 1 1   25    8   22 o   7.8341   2.7122   7.7089   6.9549   5.3097   9.0448   11.179   10.878   7.7296   3.0160   9.5166   3.3844 -1.787022 4.533215 
1 1 1   25    8   23 o   66.304   0.8345  591.946   14.861  603.611   20.969  580.174   21.065   66.871   1.1675   65.551   1.1964 1.319443 1.671667 
1 1 1   25    8   24 o   13.694   1.8282   25.949   6.5565   37.648   9.2362   14.066   9.3087   16.465   2.1390   10.041   3.1214 6.424310 3.783951 
1 1 1   25    8   25 o   17.591   1.5179   42.256   7.1018   41.846   9.8573   42.698   10.241   17.359   2.1609   17.521   2.2264 -0.1612129 3.102645 
1 1 1   25    8   26 o   20.788   1.3221   58.711   7.3438   68.172   9.7500   46.307   11.164   22.342   1.6361   18.215   2.3358 4.127249 2.851816 
1 1 1   25    8   27 o   24.671   1.2015   82.286   7.9618   74.262   10.222   94.667   12.696   23.315   1.6428   26.292   1.8088 -2.977959 2.443475 
1 1 1   25    8   28 o   16.266   1.6948   36.397   7.2956   38.584   9.4226   33.124   11.528   16.634   2.1601   15.160   2.9372 1.473772 3.645993 
1 1 1   25    8   29 o   15.104   1.7766   31.529   7.0696   40.850   9.4925   19.921   10.594   17.130   2.1076   11.688   3.2544 5.442537 3.877267 
1 1 1   25    8   30 o   19.879   1.5040   53.989   7.9709   48.954   10.197   61.899   12.781   18.784   2.0547   21.069   2.2957 -2.284924 3.080876 
1 1 1   25    8   31 o   29.067   1.2161  114.357   9.4942  133.320   12.928   92.153   13.989   31.312   1.5371   25.839   2.0320 5.472876 2.547898 
1 1 1   25    8   32 o   8.9001   2.7009   11.168   7.0214   9.2692   9.6029   13.350   10.293   8.7358   3.1707   9.8778   3.3018 -1.142012 4.577708 
1 1 1   25    8   33 o   39.115   0.9429  206.462   9.9056  195.716   13.534  218.859   14.537   37.995   1.3262   40.173   1.3472 -2.177608 1.890483 
1 1 1   25    8   34 o   37.454   1.0475  189.526   10.538  211.769   14.252  162.698   15.652   39.515   1.3429   34.538   1.6873 4.977295 2.156408 
1 1 1   25    8   35 o   31.964   1.0806  138.117   9.2771  152.746   12.317  118.936   14.104   33.548   1.3669   29.441   1.7921 4.106966 2.253913 
1 1 1   25    8   36 o   20.163   1.4963   55.619   8.0456   49.584   10.455   64.383   12.599   18.860   2.0995   21.478   2.2158 -2.617472 3.052498 
1 1 1   25    8   37 o   9.6324   2.8156   13.392   7.7434   17.063   10.090   8.1317   12.078   10.808   3.2283   8.9367   3.4857 1.871202 4.751008 
1 1 1   25    8   38 o   23.677   1.3582   76.510   8.6010   71.420   11.264   83.630   13.321   22.713   1.8627   24.518   2.0413 -1.805000 2.763489 
1 1 1   25    8   39 o   22.654   1.6473   70.751   9.9548   64.510   14.910   75.771   13.372   21.184   2.6805   23.235   2.1677 -2.050993 3.447348 
1 1 1   25    8   40 o   13.932   2.4962   28.214   8.9979   30.045   12.733   26.388   12.717   13.991   3.4178   13.068   3.5367 0.9222841 4.918335 
1 1 1   25    8   41 o   10.330   3.0640   16.069   9.1126   6.1328   12.425   27.633   13.405   8.4483   3.4529   13.241   3.6511 -4.792644 5.025250 
1 1 1   25    8   42 o   9.7412   3.4522   13.658   11.309   0.2248   14.545   34.195   17.985   7.9746   3.5081   14.250   4.3223 -6.274926 5.566813 
1 1 1   25    8   43 o   10.940   3.7037   18.818   12.952   23.364   20.113   15.597   16.931   12.030   4.5471   10.560   4.1246 1.470419 6.139152 
1 1 1   25    8   44 o   16.358   3.5187   43.282   15.002   56.484   19.899   25.900   22.833   18.147   4.1700   12.294   4.7934 5.852807 6.353374 
1 1 1   25    8   45 o   14.905   3.3769   36.186   13.206   27.771   18.654   44.641   18.699   12.404   4.4296   15.737   4.3011 -3.332627 6.174224 
1 1 1   25    9  -39 o   11.839   5.0588   13.120   28.510   0.0000   0.0000   13.120   28.510  ?   ?    11.839   5.0588 0.000000 5.058833 
1 1 1   25    9  -38 o   15.592   3.7412   37.760   15.467   29.907   18.726   54.620   27.439   13.710   4.4478   17.756   5.3283 -4.046667 6.940733 
1 1 1   25    9  -37 o   12.652   3.4367   24.227   11.982   40.414   17.030   8.3585   16.861   16.124   3.9608   9.8343   4.0211 6.290139 5.644241 
1 1 1   25    9  -36 o   21.355   2.5939   64.879   14.573   58.141   18.349   76.390   23.983   19.710   3.5986   22.308   4.1555 -2.597790 5.497110 
1 1 1   25    9  -35 o   7.4426   2.9363   4.9293   8.6554   2.1948   11.909   7.9912   12.602   7.8261   3.3036   9.0222   3.5483 -1.196164 4.848141 
1 1 1   25    9  -34 o   41.657   1.1145  234.789   12.469  231.979   17.802  237.496   17.471   41.243   1.6071   41.749   1.5580 -0.5067863 2.238363 
1 1 1   25    9  -33 o   27.190   1.3874  100.640   10.098  101.513   14.536   99.825   14.040   27.110   2.0106   26.902   1.9564 0.2078075 2.805336 
1 1 1   25    9  -32 o   20.491   1.7390   57.741   9.4810   46.888   13.108   69.649   13.730   18.112   2.7835   22.327   2.3237 -4.214344 3.625910 
1 1 1   25    9  -31 o   7.6817   3.0602   4.8559   9.4856  -5.5619   14.880   11.988   12.312   7.6388   3.4412   9.8283   3.5866 -2.189494 4.970502 
1 1 1   25    9  -30 o   47.379   1.3661  304.584   17.385  301.252   21.692  310.565   29.066   46.979   1.7191   47.409   2.2826 -0.4298744 2.857581 
1 1 1   25    9  -29 o   33.584   1.4736  153.270   13.293  176.942   18.893  130.065   18.706   35.870   1.9685   30.606   2.2921 5.263712 3.021430 
1 1 1   25    9  -28 o   6.4794   2.7634   0.4312   8.4779  -7.5972   11.570   9.7387   12.458   6.3886   2.9378   9.3972   3.5723 -3.008629 4.625109 
1 1 1   25    9  -27 o   30.950   1.5281  130.199   12.703  128.960   16.485  132.008   19.929   30.605   2.0168   30.798   2.4289 -0.1930275 3.157038 
1 1 1   25    9  -26 o   30.915   1.3277  129.484   11.025  130.018   16.441  129.048   14.862   30.748   2.0017   30.698   1.8105 0.5010033E-01 2.699039 
1 1 1   25    9  -25 o   20.592   1.8753   58.355   10.258   54.580   17.556   60.312   12.641   19.348   3.5074   20.814   2.2995 -1.465708 4.193991 
1 1 1   25    9  -24 o   46.902   1.0261  296.837   12.927  297.837   18.248  295.830   18.314   46.870   1.4495   46.709   1.4598 0.1613159 2.057198 
1 1 1   25    9  -23 o   38.782   1.0988  203.040   11.446  200.617   16.197  205.457   16.178   38.447   1.5684   38.913   1.5478 -0.4664192 2.203583 
1 1 1   25    9  -22 o   28.226   1.2603  107.692   9.5543  107.912   13.643  107.480   13.384   28.100   1.8174   28.052   1.7857 0.4816437E-01 2.547859 
1 1 1   25    9  -21 o   22.809   1.4602   70.734   8.8986   71.760   13.071   69.848   12.148   22.811   2.1592   22.537   2.0287 0.2738781 2.962698 
1 1 1   25    9  -20 o   35.130   1.1235  166.532   10.601  149.911   14.830  183.896   15.158   33.237   1.6613   36.841   1.5319 -3.603745 2.259741 
1 1 1   25    9  -19 o   43.757   1.1811  258.446   13.881  274.415   25.549  251.758   16.534   44.835   2.1216   43.136   1.4270 1.698509 2.556848 
1 1 1   25    9  -18 o   57.223   0.9919  441.286   15.245  439.046   21.959  443.369   21.180   56.969   1.4351   57.265   1.3771 -0.2962761 1.988930 
1 1 1   25    9  -17 o   45.984   1.0153  284.985   12.539  286.466   18.153  283.632   17.341   46.014   1.4688   45.799   1.4097 0.2147942 2.035867 
1 1 1   25    9  -16 o   75.510   0.9058  767.843   18.371  774.135   23.318  757.546   29.830   75.756   1.1460   74.828   1.4842 0.9278030 1.875137 
1 1 1   25    9  -15 f   39.003   0.8365  204.770   8.7630  203.581   10.650  207.263   15.420   38.868   1.0201   39.146   1.4666 -0.2783737 1.786472 
1 1 1   25    9  -14 o   33.392   0.9028  150.134   8.0967  154.947   11.212  144.889   11.705   33.884   1.2320   32.753   1.3305 1.131569 1.813284 
1 1 1   25    9  -13 o   14.196   1.4500   27.522   5.4509   22.826   6.6009   37.589   9.6650   12.813   1.9821   16.454   2.2455 -3.641465 2.995150 
1 1 1   25    9  -12 o   56.232   0.8111  425.516   12.251  438.465   15.943  406.847   19.143   57.043   1.0406   54.896   1.2983 2.146664 1.663872 
1 1 1   25    9  -11 o   19.297   1.1535   50.391   5.9515   58.387   8.8484   43.786   8.0426   20.709   1.6033   17.900   1.6929 2.808472 2.331629 
1 1 1   25    9  -10 o   17.868   1.1364   43.214   5.4256   43.520   7.5237   42.881   7.8314   17.866   1.5843   17.719   1.6651 0.1467361 2.298393 
1 1 1   25    9   -9 o   49.685   0.7716  332.113   10.296  330.667   14.097  333.766   15.074   49.539   1.0595   49.759   1.1279 -0.2205658 1.547492 
1 1 1   25    9   -8 o   28.622   0.8653  110.256   6.6517  100.528   9.3629  120.169   9.4516   27.295   1.2771   29.853   1.1788 -2.558035 1.737969 
1 1 1   25    9   -7 o   50.853   0.7522  347.853   10.275  338.936   14.576  356.659   14.486   50.153   1.0820   51.453   1.0482 -1.299885 1.506475 
1 1 1   25    9   -6 o   20.370   1.0997   56.079   5.9946   69.992   8.8762   44.410   8.1285   22.714   1.4627   18.034   1.6982 4.680908 2.241242 
1 1 1   25    9   -5 o   26.231   0.9351   92.631   6.5879   90.938   9.5439   94.171   9.1050   25.918   1.3759   26.420   1.2831 -0.5023727 1.881356 
1 1 1   25    9   -4 o   34.185   0.8887  157.279   8.1599  158.586   12.633  156.343   10.689   34.275   1.3723   34.056   1.1686 0.2189636 1.802409 
1 1 1   25    9   -3 f   32.155   1.0577  139.276   9.1346  132.177   14.124  144.380   11.976   31.205   1.6915   32.705   1.3634 -1.500004 2.172549 
1 1 1   25    9   -2 o   33.790   1.0275  153.776   9.3252  136.004   13.794  168.734   12.655   31.668   1.6272   35.361   1.3324 -3.692575 2.103153 
1 1 1   25    9   -1 o   47.091   0.8812  298.433   11.146  304.504   17.178  294.019   14.648   47.500   1.3464   46.704   1.1677 0.7965088 1.782218 
1 1 1   25    9    0 o   28.069   1.0109  106.101   7.6209  113.366   12.346  101.628   9.6868   28.911   1.5960   27.445   1.3141 1.466467 2.067416 
1 1 1   25    9    1 o   9.2295   2.4279   12.042   6.0994   15.168   9.5641   9.8985   7.9188   10.434   3.1491   8.7017   2.8958 1.732685 4.278127 
1 1 1   25    9    2 o   34.251   0.9247  157.911   8.5066  165.281   12.808  152.092   11.379   34.993   1.3627   33.580   1.2616 1.413113 1.857040 
1 1 1   25    9    3 f   40.685   0.8529  222.737   9.3202  232.543   14.308  215.508   12.284   41.519   1.2830   39.987   1.1438 1.531246 1.718804 
1 1 1   25    9    4 o   55.207   0.8833  410.185   13.097  405.846   19.029  414.091   18.053   54.847   1.2918   55.416   1.2129 -0.5693741 1.771929 
1 1 1   25    9    5 o   57.450   0.8437  444.125   13.019  458.694   20.172  433.725   17.043   58.308   1.2881   56.731   1.1185 1.576954 1.705920 
1 1 1   25    9    6 o   52.868   0.9463  376.304   13.437  390.843   18.517  360.134   19.528   53.823   1.2809   51.640   1.4079 2.182514 1.903403 
1 1 1   25    9    7 o   52.580   0.8887  372.121   12.551  366.595   18.134  377.200   17.388   52.122   1.2953   52.884   1.2241 -0.7620659 1.782252 
1 1 1   25    9    8 o   11.137   2.4527   17.589   7.1380   16.021   10.640   18.873   9.6258   10.750   3.3363   11.497   3.0624 -0.7470198 4.528658 
1 1 1   25    9    9 o   22.665   1.3126   69.567   7.9562   75.444   10.501   61.647   12.190   23.547   1.6713   21.171   2.1747 2.376034 2.742738 
1 1 1   25    9   10 o   20.073   1.3288   54.633   7.1237   63.706   9.9417   45.058   10.213   21.616   1.7268   18.070   2.1462 3.545546 2.754578 
1 1 1   25    9   11 o   19.590   1.3658   52.080   7.1415   56.184   9.8402   47.513   10.381   20.270   1.8270   18.566   2.1196 1.704163 2.798368 
1 1 1   25    9   12 o   33.439   0.9509  150.585   8.5403  151.827   11.530  149.077   12.711   33.538   1.2800   33.212   1.4249 0.3254166 1.915437 
1 1 1   25    9   13 o   23.600   1.1357   75.106   7.1991   71.754   10.260   78.356   10.104   22.953   1.6758   24.010   1.5755 -1.056749 2.300139 
1 1 1   25    9   14 o   80.084   0.9305  863.704   20.015  877.648   28.445  850.031   28.168   80.616   1.3137   79.334   1.3219 1.281219 1.863662 
1 1 1   25    9   15 f   9.5174   2.4041   12.871   6.1475   14.203   8.3577   11.301   9.0741   10.037   2.9226   9.2639   3.1002 0.7730770 4.260644 
1 1 1   25    9   16 o   49.764   0.8201  333.339   10.962  341.513   15.271  324.648   15.745   50.320   1.1299   49.049   1.1952 1.270752 1.644692 
1 1 1   25    9   17 o   72.346   0.9258  704.982   17.990  709.523   25.355  700.377   25.529   72.474   1.3025   72.000   1.3201 0.4743500 1.854524 
1 1 1   25    9   18 o   29.588   1.0431  118.022   8.2898  119.460   12.323  116.834   11.204   29.659   1.5524   29.390   1.4193 0.2683620 2.103373 
1 1 1   25    9   19 o   15.704   1.6258   33.788   6.7582   31.992   8.9147   36.215   10.363   15.136   2.2622   16.066   2.4814 -0.9300442 3.357808 
1 1 1   25    9   20 o   17.911   1.5329   43.774   7.3034   52.439   10.723   36.277   9.9745   19.496   2.0799   16.102   2.3779 3.394024 3.159145 
1 1 1   25    9   21 o   4.7872   2.2063  -4.9428   6.5762  -1.8937   8.4362  -9.6652   10.499   6.0806   2.6734   5.8072   2.7141 0.2734890 3.809644 
1 1 1   25    9   22 o   19.936   1.3983   54.062   7.4398   65.651   9.8507   38.675   11.351   21.920   1.6861   16.546   2.6431 5.373678 3.135134 
1 1 1   25    9   23 o   23.607   1.2516   75.554   7.9076   67.110   10.174   88.438   12.567   22.149   1.7238   25.410   1.8542 -3.261024 2.531760 
1 1 1   25    9   24 o   29.118   1.0926  114.478   8.5448  115.234   11.417  113.516   12.884   29.116   1.4646   28.845   1.6702 0.2705784 2.221361 
1 1 1   25    9   25 o   19.625   1.4542   52.523   7.6105   46.139   9.7922   62.261   12.095   18.250   2.0321   21.196   2.1544 -2.945713 2.961591 
1 1 1   25    9   26 o   31.732   1.0418  135.958   8.8790  131.316   11.496  142.822   13.979   31.123   1.3752   32.403   1.6062 -1.279739 2.114463 
1 1 1   25    9   27 o   18.865   1.4626   48.602   7.3529   45.095   9.9581   52.806   10.903   18.007   2.0982   19.498   2.1159 -1.491068 2.979885 
1 1 1   25    9   28 o   31.735   1.0071  135.987   8.5844  140.277   11.825  131.206   12.482   32.159   1.3690   31.072   1.4957 1.086979 2.027591 
1 1 1   25    9   29 o   20.765   1.3537   58.727   7.5086   62.178   10.235   54.706   11.049   21.255   1.8100   19.841   2.1056 1.414089 2.776622 
1 1 1   25    9   30 o   6.2289   2.6358   0.7912   7.6099   8.8185   10.348  -8.6641   11.230   8.7692   3.2724   6.1430   2.8494 2.626124 4.339099 
1 1 1   25    9   31 o   5.4761   2.4198  -1.8272   6.9957   0.4573   9.4003  -4.6631   10.473   6.7963   2.9044   6.3723   2.8774 0.4239817 4.088385 
1 1 1   25    9   32 o   63.599   0.8699  545.525   14.859  548.477   20.739  542.412   21.300   63.643   1.2132   63.273   1.2534 0.3703537 1.744367 
1 1 1   25    9   33 o   5.4156   2.4283  -2.9289   7.3136  -5.2292   9.9633  -0.2412   10.770   6.1097   2.7777   7.1184   3.0762 -1.008704 4.144740 
1 1 1   25    9   34 o   9.1353   2.7648   11.866   7.3645   21.689   9.9579   0.0066   10.942   12.143   3.0556   7.2030   3.1068 4.940423 4.357566 
1 1 1   25    9   35 o   16.731   1.7036   38.663   7.5489   35.324   10.105   42.880   11.356   15.747   2.4704   17.367   2.5070 -1.619882 3.519624 
1 1 1   25    9   36 o   25.354   1.3160   87.586   8.9308   82.460   12.607   92.749   12.653   24.393   1.9402   25.922   1.8291 -1.528868 2.666458 
1 1 1   25    9   37 o   36.690   1.0822  182.389   10.665  173.421   13.928  195.098   16.581   35.650   1.4546   37.733   1.6360 -2.083431 2.189164 
1 1 1   25    9   38 o   22.888   1.6273   72.276   9.9389   64.285   12.708   84.864   15.950   21.320   2.2533   24.409   2.4668 -3.088978 3.341046 
1 1 1   25    9   39 o   6.4485   2.7886   0.1257   8.8622   4.8066   11.357  -7.1611   14.170   7.9953   3.2883   7.0908   3.2571 0.9044814 4.628349 
1 1 1   25    9   40 o   6.2305   2.8799  -6.9484   11.326 -13.7386   14.257   4.6642   18.645   6.4435   3.0574   9.4010   4.0552 -2.957537 5.078590 
1 1 1   25    9   41 o   24.765   2.1386   87.417   14.086   97.935   21.536   79.553   18.621   25.327   3.2400   22.912   3.1060 2.415422 4.488297 
1 1 1   25    9   42 o   13.381   3.9881   30.234   15.411   17.764   19.570   50.590   25.004   11.050   4.3976   16.264   5.1254 -5.213452 6.753367 
1 1 1   25    9   43 o   9.4052   3.5730   12.560   12.458   20.047   18.511   6.3607   16.843   11.179   4.3278   9.0024   3.8685 2.177050 5.804756 
1 1 1   25    9   44 o   6.6089   3.0312  -4.3928   12.209  -4.5864   17.332  -4.2021   17.203   7.7675   3.5805   7.7790   3.5790 -0.1150560E-01 5.062541 
1 1 1   25   10  -37 o   24.303   3.1137   87.421   19.858   0.0000   0.0000   87.421   19.858  ?   ?    24.303   3.1137 0.000000 3.113667 
1 1 1   25   10  -36 o   19.717   2.6512   56.029   13.684   59.180   19.085   52.696   19.632   19.647   3.7535   18.301   4.0961 1.345484 5.555800 
1 1 1   25   10  -35 o   37.905   1.6081  196.684   16.372  200.374   23.368  193.127   22.944   37.817   2.3117   37.124   2.3125 0.6926918 3.269819 
1 1 1   25   10  -34 f   24.088   1.5249   79.470   9.8152   79.718   13.773   79.214   13.992   23.891   2.1699   23.796   2.2145 0.9503365E-01 3.100416 
1 1 1   25   10  -33 o   17.355   2.0234   42.028   9.2550   43.754   12.916   40.207   13.269   17.404   2.8625   16.575   3.0943 0.8293571 4.215241 
1 1 1   25   10  -32 o   17.255   2.5269   42.311   11.364   45.340   15.490   38.779   16.724   17.510   3.4163   15.963   3.9276 1.546925 5.205462 
1 1 1   25   10  -31 o   6.7031   2.8163   1.4744   8.5893  -3.5645   12.023   6.7271   12.275   7.0226   3.1337   8.7368   3.4810 -1.714173 4.683751 
1 1 1   25   10  -30 o   25.285   1.5707   87.416   10.615   92.164   15.315   83.027   14.725   25.735   2.2380   24.404   2.2726 1.331427 3.189564 
1 1 1   25   10  -29 o   22.166   1.9360   67.900   11.411   84.990   19.413   58.879   14.104   24.357   3.0331   20.382   2.6383 3.975010 4.020021 
1 1 1   25   10  -28 o   25.055   1.7498   86.181   11.702   85.969   14.049   86.660   21.145   24.898   2.1211   24.471   3.3014 0.4275589 3.924012 
1 1 1   25   10  -27 o   34.549   1.1908  161.587   11.050  149.541   15.346  174.559   15.925   33.046   1.7350   35.776   1.6572 -2.729980 2.399283 
1 1 1   25   10  -26 o   33.289   1.3709  150.366   12.257  155.446   15.383  141.533   20.284   33.711   1.7045   31.884   2.3859 1.826548 2.932218 
1 1 1   25   10  -25 o   5.9311   2.6169  -1.9388   8.1513 -16.5634   11.534   12.653   11.521   5.4823   2.6408   9.8691   3.4858 -4.386800 4.373203 
1 1 1   25   10  -24 o   21.557   1.6503   63.648   9.4831   57.460   13.961   68.950   12.922   20.170   2.6404   22.284   2.1870 -2.114182 3.428550 
1 1 1   25   10  -23 o   13.634   2.7588   26.755   9.7554   25.759   16.247   27.317   12.199   13.235   4.1252   13.627   3.3555 -0.3911123 5.317553 
1 1 1   25   10  -22 o   22.036   1.5281   66.241   8.9884   74.919   12.691   57.508   12.732   23.302   2.0486   20.293   2.3811 3.009001 3.141032 
1 1 1   25   10  -21 f   41.676   1.0587  234.453   11.851  215.457   16.489  254.748   17.044   39.839   1.5410   43.343   1.4641 -3.503162 2.125580 
1 1 1   25   10  -20 o   37.036   1.1149  185.203   11.090  202.647   16.331  170.272   15.109   38.637   1.5737   35.413   1.5884 3.224167 2.235963 
1 1 1   25   10  -19 o   40.113   1.0727  217.128   11.557  204.880   16.757  228.237   15.959   38.849   1.6059   41.045   1.4476 -2.195862 2.162119 
1 1 1   25   10  -18 o   62.289   1.0819  523.523   18.100  519.296   28.604  526.346   23.376   61.813   1.7229   62.359   1.3956 -0.5455780 2.217233 
1 1 1   25   10  -17 o   7.0365   2.8221   3.5207   8.1230   9.7733   12.950  -0.5347   10.430   9.5872   3.6428   7.0233   3.0312 2.563838 4.738984 
1 1 1   25   10  -16 o   9.5071   1.9827   12.765   4.8990   12.147   5.6104   14.749   10.052   9.2399   2.2756   10.305   3.2501 -1.065395 3.967552 
1 1 1   25   10  -15 o   35.844   0.9633  173.132   9.2740  182.472   12.141  160.046   14.370   36.758   1.2297   34.367   1.5568 2.390545 1.983873 
1 1 1   25   10  -14 o   52.168   0.7478  366.233   10.478  372.500   14.736  359.824   14.903   52.563   1.0438   51.655   1.0741 0.9080124 1.497766 
1 1 1   25   10  -13 o   40.287   0.8854  218.576   9.5805  212.328   11.507  232.694   17.297   39.680   1.0797   41.449   1.5537 -1.768082 1.891975 
1 1 1   25   10  -12 f   20.581   1.1953   57.360   6.5794   59.143   9.2956   55.571   9.3136   20.818   1.6766   20.164   1.7366 0.6544056 2.413919 
1 1 1   25   10  -11 o   34.959   0.8006  164.490   7.5176  164.671   10.408  164.292   10.870   34.943   1.1089   34.896   1.1598 0.4712677E-01 1.604616 
1 1 1   25   10  -10 o   29.550   0.8984  117.591   7.1306  113.580   9.4512  122.890   10.864   29.010   1.2130   30.159   1.3412 -1.148886 1.808364 
1 1 1   25   10   -9 o   12.688   1.7650   22.248   5.8517   23.193   7.6423   20.910   9.0977   12.844   2.2998   12.081   2.8499 0.7627583 3.662059 
1 1 1   25   10   -8 o   45.759   0.8243  281.827   10.131  271.089   12.909  299.049   16.348   44.844   1.0717   47.059   1.2934 -2.215252 1.679748 
1 1 1   25   10   -7 o   13.680   1.7273   25.767   6.2051   25.003   8.1692   26.810   9.5402   13.334   2.3677   13.746   2.6802 -0.4118538 3.576247 
1 1 1   25   10   -6 o   19.351   1.3104   50.794   6.7703   60.337   10.123   43.070   9.1067   21.010   1.8116   17.697   1.9481 3.312576 2.660300 
1 1 1   25   10   -5 o   31.881   0.8493  136.811   7.2724  142.972   10.468  131.061   10.111   32.554   1.1972   31.167   1.2079 1.386824 1.700637 
1 1 1   25   10   -4 o   29.559   0.9537  117.677   7.5713  123.007   10.203  111.146   11.295   30.188   1.2583   28.632   1.4737 1.556166 1.937839 
1 1 1   25   10   -3 o   8.9683   2.3229   11.394   5.6402   18.130   8.1072   5.0754   7.8518   11.269   2.7115   7.3446   2.8255 3.924340 3.916040 
1 1 1   25   10   -2 o   48.445   0.8112  315.839   10.555  321.754   15.865  311.141   14.138   48.835   1.2096   48.043   1.0957 0.7922745 1.632022 
1 1 1   25   10   -1 o   74.501   0.9571  747.538   19.153  757.049   33.811  743.044   23.241   74.748   1.6841   74.225   1.1658 0.5233612 2.048232 
1 1 1   25   10    0 o   63.256   0.9132  538.763   15.515  554.199   21.208  520.990   22.758   64.087   1.2321   62.103   1.3643 1.983139 1.838338 
1 1 1   25   10    1 o   30.224   0.9873  123.052   8.0146  123.353   11.820  122.796   10.904   30.206   1.4569   30.153   1.3464 0.5367851E-01 1.983775 
1 1 1   25   10    2 o   32.482   0.9249  142.077   8.0697  143.038   12.244  141.339   10.730   32.535   1.4011   32.364   1.2344 0.1715240 1.867280 
1 1 1   25   10    3 o   14.631   1.6006   29.318   6.1873   30.120   8.8552   28.553   8.6487   14.681   2.3231   14.282   2.3353 0.3981285 3.293949 
1 1 1   25   10    4 o   62.726   0.8243  529.532   13.888  536.833   20.420  523.250   18.943   63.079   1.2053   62.293   1.1322 0.7862320 1.653654 
1 1 1   25   10    5 o   14.951   1.5591   30.574   6.1687   40.416   8.6344   20.314   8.8163   17.146   1.9072   11.918   2.8014 5.227488 3.388978 
1 1 1   25   10    6 o   12.890   1.8043   22.972   6.0755   16.589   8.4985   29.643   8.6887   10.782   2.8800   14.565   2.2971 -3.782962 3.683900 
1 1 1   25   10    7 o   15.867   1.6904   34.500   7.0930   38.139   9.7600   30.427   10.326   16.571   2.2511   14.656   2.7234 1.915619 3.533309 
1 1 1   25   10    8 o   16.346   1.6332   36.550   7.0746   42.215   8.9010   26.832   11.658   17.522   1.9229   13.640   3.2317 3.882064 3.760526 
1 1 1   25   10    9 o   19.164   1.3265   49.845   6.7861   52.486   9.0134   46.390   10.311   19.597   1.7301   18.329   2.1345 1.268801 2.747607 
1 1 1   25   10   10 o   28.585   0.9798  110.088   7.5222  104.378   10.226  116.822   11.104   27.791   1.3700   29.396   1.4064 -1.605021 1.963380 
1 1 1   25   10   11 o   34.955   0.9182  164.568   8.6212  172.123   11.490  154.835   13.041   35.713   1.1979   33.836   1.4350 1.876968 1.869244 
1 1 1   25   10   12 f   12.921   1.9854   23.235   6.6700   20.045   8.7138   27.748   10.365   11.829   2.7882   13.937   2.8647 -2.107946 3.997568 
1 1 1   25   10   13 o   35.289   0.9617  167.787   9.1149  167.522   11.874  168.168   14.222   35.220   1.2552   35.246   1.5024 -0.2551651E-01 1.957696 
1 1 1   25   10   14 o   59.246   0.8913  472.753   14.183  461.637   18.163  490.122   22.704   58.488   1.1562   60.197   1.4042 -1.708641 1.818970 
1 1 1   25   10   15 o   8.5084   2.5504   10.077   6.2891   16.351   8.7241   3.2880   9.0746   10.694   2.9441   7.2933   2.9624 3.400384 4.176573 
1 1 1   25   10   16 o   28.841   1.2006  112.323   9.3005  122.326   12.353   99.234   14.131   30.007   1.5379   26.917   1.9682 3.090857 2.497820 
1 1 1   25   10   17 o   19.174   1.4291   50.039   7.3073   51.136   9.4138   48.376   11.591   19.302   1.8380   18.636   2.3691 0.6658039 2.998479 
1 1 1   25   10   18 o   47.046   0.8789  298.166   11.106  296.202   14.686  300.789   16.974   46.835   1.1675   47.155   1.3402 -0.3201256 1.777397 
1 1 1   25   10   19 o   30.286   1.1431  123.857   9.2986  129.066   12.381  117.117   14.084   30.857   1.4938   29.280   1.7996 1.577070 2.338788 
1 1 1   25   10   20 o   19.854   1.4532   53.701   7.6956   51.537   9.7897   57.202   12.450   19.347   1.9088   20.277   2.3283 -0.9293385 3.010752 
1 1 1   25   10   21 f   26.068   1.1686   91.825   8.1822   96.821   10.419   83.787   13.216   26.683   1.4593   24.674   2.0117 2.008659 2.485296 
1 1 1   25   10   22 o   24.792   1.1968   83.107   7.9696   76.333   10.112   94.215   12.948   23.644   1.6017   26.211   1.8511 -2.566565 2.447893 
1 1 1   25   10   23 o   12.146   2.1760   20.854   6.8383   15.481   9.1947   27.503   10.229   10.393   3.0767   13.801   2.8539 -3.407611 4.196540 
1 1 1   25   10   24 o   38.229   0.9035  197.097   9.2772  186.081   12.763  209.438   13.509   37.066   1.2820   39.324   1.2790 -2.258259 1.810894 
1 1 1   25   10   25 o   15.655   1.6695   33.765   6.9114   26.702   9.4319   41.955   10.157   13.628   2.6724   17.312   2.2366 -3.684590 3.484817 
1 1 1   25   10   26 o   15.130   1.7319   31.638   6.9112   31.177   9.3723   32.188   10.232   14.819   2.4397   14.999   2.6360 -0.1805773 3.591719 
1 1 1   25   10   27 o   15.451   1.7328   32.990   7.0674   32.618   9.7830   33.396   10.221   15.143   2.4920   15.298   2.5792 -0.1547947 3.586407 
1 1 1   25   10   28 o   25.059   1.1697   84.991   7.8728   82.697   10.826   87.565   11.469   24.571   1.6500   25.272   1.6996 -0.7010918 2.368787 
1 1 1   25   10   29 o   22.980   1.4563   72.073   8.9421   73.945   12.227   69.919   13.112   23.122   1.9881   22.403   2.2077 0.7183571 2.970949 
1 1 1   25   10   30 o   40.429   0.9240  220.604   10.034  212.791   13.754  229.494   14.670   39.613   1.2927   41.127   1.3280 -1.514374 1.853319 
1 1 1   25   10   31 o   22.700   1.3169   70.141   7.9949   69.542   10.831   70.857   11.851   22.470   1.8100   22.631   1.9692 -0.1614552 2.674651 
1 1 1   25   10   32 o   35.404   1.0556  169.477   10.037  177.683   13.917  160.583   14.490   36.147   1.4335   34.321   1.5719 1.826565 2.127347 
1 1 1   25   10   33 o   7.2094   2.7928   5.0603   7.7125  -1.3621   10.879   11.550   10.936   6.9560   3.0476   9.4652   3.3904 -2.509189 4.558756 
1 1 1   25   10   34 f   21.332   1.4346   62.246   8.1720   56.695   11.076   68.877   12.106   20.153   2.0759   22.242   2.0496 -2.088579 2.917253 
1 1 1   25   10   35 o   7.6065   2.7687   7.0261   7.3299   8.9267   9.6167   4.3912   11.323   8.5662   3.1630   8.0031   3.2865 0.5631437 4.561286 
1 1 1   25   10   36 o   7.2743   2.7445   5.9092   7.3183   2.3416   9.7058   10.610   11.141   7.1527   2.9989   9.1873   3.4021 -2.034599 4.535149 
1 1 1   25   10   37 o   28.847   1.5625  114.587   12.061  126.960   14.250   83.340   22.646   30.269   1.7604   23.259   3.7528 7.010330 4.145161 
1 1 1   25   10   38 o   7.6688   2.9453   6.5832   8.5228   24.004   11.595 -13.8889   12.570   12.428   3.3829   5.9391   2.8329 6.489355 4.412440 
1 1 1   25   10   39 o   13.563   3.5971   29.400   13.318   47.178   19.705   14.448   18.071   16.695   4.3504   10.595   4.2228 6.100352 6.062881 
1 1 1   25   10   40 o   16.627   3.1225   42.673   13.433   57.378   20.269   31.156   17.937   18.446   4.1869   13.442   4.3524 5.003239 6.039302 
1 1 1   25   10   41 o   6.9549   3.1356  -2.5639   12.382   19.125   19.580 -17.0178   15.984   11.158   4.4119   6.5232   3.1337 4.634950 5.411585 
1 1 1   25   10   42 o   8.8411   3.5223   9.8693   12.567   31.818   18.566  -8.6928   17.074   13.158   4.4344   7.3798   3.4530 5.778150 5.620207 
1 1 1   25   11  -36 o   11.163   4.8478   8.9810   27.010   0.0000   0.0000   8.9810   27.010  ?   ?    11.163   4.8478 0.000000 4.847773 
1 1 1   25   11  -35 o   10.222   3.6778   14.500   12.882   4.7168   18.705   23.328   17.768   9.5489   4.0893   12.351   4.3317 -2.801731 5.957041 
1 1 1   25   11  -34 o   9.7313   3.4970   12.689   11.643   13.684   16.568   11.718   16.366   10.592   4.0960   10.232   4.0374 0.3598166 5.751352 
1 1 1   25   11  -33 o   19.839   2.1529   55.261   11.287   43.147   18.936   61.937   14.058   16.538   4.2422   20.833   2.5666 -4.295158 4.958189 
1 1 1   25   11  -32 o   14.880   2.3530   31.542   9.0914   26.816   12.489   36.870   13.260   13.339   3.4575   15.758   3.2410 -2.419805 4.739032 
1 1 1   25   11  -31 o   9.8195   3.0348   13.837   8.8140   12.678   12.096   15.148   12.870   9.8856   3.5631   10.534   3.6871 -0.6483183 5.127381 
1 1 1   25   11  -30 o   13.473   2.4596   26.012   8.5728   7.2017   11.698   47.833   12.600   8.6781   3.4169   18.312   2.6378 -9.633740 4.316621 
1 1 1   25   11  -29 o   28.836   1.3278  112.880   10.284  114.120   14.354  111.572   14.740   28.787   1.8665   28.434   1.9416 0.3531551 2.693276 
1 1 1   25   11  -28 o   7.6913   3.1268   4.1314   10.122   7.0581   17.443   2.6459   12.428   9.8750   4.0699   8.0546   3.3861 1.820306 5.294293 
1 1 1   25   11  -27 o   37.953   1.1821  195.081   12.051  197.306   17.132  192.901   16.954   38.008   1.6782   37.581   1.6796 0.4272003 2.374314 
1 1 1   25   11  -26 o   12.215   3.1060   21.972   10.213   10.606   12.221   48.295   18.598   9.4950   3.5537   17.841   3.9820 -8.346170 5.337173 
1 1 1   25   11  -25 f   23.509   1.7869   76.027   11.199   85.878   13.824   57.223   19.100   24.889   2.0872   19.577   3.7693 5.312878 4.308586 
1 1 1   25   11  -24 o   13.310   2.5719   25.451   8.8614   42.591   12.010   4.9691   13.128   17.278   2.6744   8.6325   3.5411 8.645165 4.437560 
1 1 1   25   11  -23 o   20.081   1.6726   55.370   8.9392   51.057   12.592   59.752   12.693   19.010   2.5288   20.661   2.3278 -1.651274 3.437070 
1 1 1   25   11  -22 o   23.711   1.4741   76.683   9.3412   81.421   13.353   72.143   13.072   24.258   2.0692   22.793   2.1611 1.464529 2.992013 
1 1 1   25   11  -21 o   15.189   2.3805   32.603   9.3925   0.3730   15.587   50.980   11.769   8.5806   3.7045   19.077   2.3464 -10.49617 4.385076 
1 1 1   25   11  -20 o   59.015   1.1610  470.945   18.403  494.605   32.082  459.342   22.466   60.085   1.9879   58.178   1.4377 1.906601 2.453368 
1 1 1   25   11  -19 o   16.978   1.8605   39.809   8.3450   42.816   12.672   37.506   11.089   17.325   2.8204   16.253   2.6299 1.071339 3.856291 
1 1 1   25   11  -18 o   40.629   1.0563  222.841   11.527  215.375   16.604  229.789   16.016   39.822   1.5524   41.163   1.4487 -1.340729 2.123304 
1 1 1   25   11  -17 o   40.649   0.9014  222.716   9.8410  238.324   12.666  198.945   15.631   42.006   1.1226   38.289   1.5200 3.717476 1.889604 
1 1 1   25   11  -16 o   24.649   1.2216   82.128   8.0879   83.464   10.671   80.324   12.398   24.738   1.6150   24.188   1.9242 0.5496273 2.512100 
1 1 1   25   11  -15 o   15.773   1.2592   33.845   5.2901   27.314   6.9712   42.711   8.1229   14.033   1.8983   17.639   1.7371 -3.605915 2.573115 
1 1 1   25   11  -14 o   34.849   0.8066  163.536   7.5496  164.468   10.352  162.477   11.034   34.907   1.1042   34.682   1.1845 0.2250595 1.619294 
1 1 1   25   11  -13 o   12.487   1.8665   21.681   6.0680   33.866   8.7968   10.621   8.3813   15.595   2.1580   8.9383   2.9794 6.656552 3.678810 
1 1 1   25   11  -12 o   37.512   0.8419  189.500   8.4828  209.368   11.197  162.739   12.995   39.397   1.0582   34.678   1.3952 4.719482 1.751101 
1 1 1   25   11  -11 o   26.049   1.0433   91.514   7.2997   91.679   8.8875   91.173   12.797   26.046   1.2704   25.819   1.8577 0.2271271 2.250527 
1 1 1   25   11  -10 o   9.9852   2.0616   14.090   5.3458   21.758   7.2070   4.7096   7.9709   12.430   2.2411   7.2720   2.8330 5.158154 3.612238 
1 1 1   25   11   -9 o   15.136   1.4087   31.258   5.6611   24.574   7.9542   38.119   8.0589   13.210   2.3268   16.646   1.8328 -3.436045 2.961975 
1 1 1   25   11   -8 o   28.921   0.8943  112.665   6.9470  106.106   9.6150  119.828   10.048   28.024   1.2774   29.784   1.2561 -1.759991 1.791513 
1 1 1   25   11   -7 o   16.961   1.4117   39.178   6.3729   34.597   10.031   42.278   8.2523   15.702   2.4592   17.556   1.7745 -1.853611 3.032567 
1 1 1   25   11   -6 o   71.701   0.8114  692.074   15.626  703.975   22.153  680.288   22.045   72.231   1.1419   71.001   1.1560 1.229759 1.624868 
1 1 1   25   11   -5 o   26.163   1.0542   92.294   7.4080   95.427   9.8587   88.231   11.227   26.529   1.3884   25.455   1.6510 1.073898 2.157197 
1 1 1   25   11   -4 o   31.939   0.8813  137.372   7.5604  140.130   10.767  134.689   10.619   32.213   1.2444   31.581   1.2519 0.6326084 1.765152 
1 1 1   25   11   -3 o   14.421   1.6360   28.547   6.2248   28.884   8.6586   28.187   8.9554   14.356   2.3251   14.148   2.4451 0.2075052 3.374117 
1 1 1   25   11   -2 o   28.668   1.0847  110.835   8.3521  107.595   11.162  114.958   12.590   28.158   1.4810   29.079   1.6184 -0.9212437 2.193796 
1 1 1   25   11   -1 o   40.711   0.9350  223.267   10.224  225.016   12.827  220.219   16.929   40.834   1.1695   40.320   1.5632 0.5140762 1.952269 
1 1 1   25   11    0 o   14.492   1.8831   29.017   7.1567   16.679   9.6335   44.214   10.691   10.831   3.1332   17.844   2.2831 -7.013020 3.876766 
1 1 1   25   11    1 o   25.762   1.2993   89.886   8.9613   84.761   12.984   94.549   12.384   24.880   1.9587   26.332   1.7611 -1.452116 2.634050 
1 1 1   25   11    2 o   58.025   1.0757  454.018   16.765  456.073   21.770  451.022   26.282   58.075   1.3956   57.658   1.6971 0.4171371 2.197250 
1 1 1   25   11    3 o   8.6974   2.8068   10.207   7.4643   10.532   9.4915   9.6807   12.084   9.1146   3.1677   9.4137   3.5318 -0.2990932 4.744251 
1 1 1   25   11    4 o   9.7687   2.6049   13.584   6.9600   5.9142   8.7759   26.587   11.426   7.7973   2.9901   13.566   3.1896 -5.768946 4.371940 
1 1 1   25   11    5 o   14.864   1.8894   30.516   7.3730   31.321   9.2551   29.119   12.198   14.945   2.3859   14.188   3.2683 0.7574701 4.046487 
1 1 1   25   11    6 o   27.211   1.1521   99.913   8.4200  102.522   11.581   96.987   12.264   27.462   1.5766   26.677   1.7208 0.7851257 2.333866 
1 1 1   25   11    7 o   16.051   1.8494   35.479   7.8277   36.798   9.0201   31.455   15.752   16.292   2.1110   14.639   3.9256 1.652657 4.457207 
1 1 1   25   11    8 o   12.311   2.2748   21.368   7.2448   32.209   9.0164   1.6146   12.170   15.183   2.2816   7.9236   3.3420 7.259030 4.046546 
1 1 1   25   11    9 o   6.1894   2.5657   1.5225   6.9885   2.8768   8.0702  -2.5380   13.974   6.8786   2.7937   7.8393   3.4438 -0.9607086 4.434488 
1 1 1   25   11   10 o   32.000   1.1100  138.161   9.5402  137.456   11.230  139.990   18.082   31.888   1.3112   31.948   2.1193 -0.5903816E-01 2.492161 
1 1 1   25   11   11 o   18.271   1.6553   45.665   8.0349   53.276   9.4958   26.480   15.077   19.712   1.8139   13.479   3.9255 6.232975 4.324357 
1 1 1   25   11   12 o   39.391   1.0184  209.236   10.775  227.130   14.152  184.556   16.621   40.991   1.2854   36.866   1.6785 4.125244 2.114151 
1 1 1   25   11   13 o   37.296   1.0613  187.649   10.631  192.458   14.144  181.405   16.117   37.708   1.3965   36.555   1.6415 1.153336 2.155214 
1 1 1   25   11   14 o   16.556   1.6785   37.607   7.3607   43.866   9.0559   25.424   12.636   17.839   1.9203   13.192   3.5061 4.647004 3.997496 
1 1 1   25   11   15 o   34.624   1.0156  161.707   9.4452  170.960   11.821  145.371   15.707   35.564   1.2376   32.629   1.7992 2.934261 2.183726 
1 1 1   25   11   16 o   20.890   1.2966   59.261   7.2391   57.728   9.6444   61.240   10.956   20.520   1.7671   21.092   1.9562 -0.5721722 2.636110 
1 1 1   25   11   17 o   20.862   1.2959   59.117   7.2255   55.239   9.7923   63.753   10.705   20.048   1.8391   21.541   1.8688 -1.493433 2.621967 
1 1 1   25   11   18 o   52.945   0.9284  377.986   13.203  379.771   18.276  376.037   19.093   52.973   1.2845   52.691   1.3491 0.2819672 1.862828 
1 1 1   25   11   19 o   8.0571   2.6459   8.7181   6.6189   10.066   9.0117   7.1387   9.7534   8.8531   3.0861   8.2819   3.1578 0.5711994 4.415400 
1 1 1   25   11   20 o   22.317   1.2318   67.606   7.3554   68.961   9.9043   65.940   10.983   22.446   1.6545   21.884   1.8870 0.5620079 2.509635 
1 1 1   25   11   21 o   17.635   1.5051   42.560   7.0605   43.320   9.5179   41.630   10.529   17.656   2.0449   17.216   2.3374 0.4397869 3.105640 
1 1 1   25   11   22 o   12.116   2.2672   20.873   7.1066   17.594   9.6174   24.817   10.548   10.998   3.1146   13.018   3.0669 -2.020748 4.371108 
1 1 1   25   11   23 o   10.586   2.4171   16.130   6.7215   19.355   9.1901   12.419   9.8561   11.510   2.9570   9.5690   3.2309 1.940811 4.379779 
1 1 1   25   11   24 o   23.930   1.1932   77.534   7.6691   90.754   10.598   63.004   11.111   25.776   1.5379   21.340   1.9605 4.435970 2.491719 
1 1 1   25   11   25 f   12.649   2.1470   22.630   7.0335   33.039   9.6112   10.629   10.320   15.254   2.4272   9.1739   3.2928 6.079793 4.090736 
1 1 1   25   11   26 o   8.2221   2.6785   9.2381   6.7884   13.819   9.1782   3.7050   10.087   9.8669   3.1047   7.6020   3.1094 2.264946 4.394050 
1 1 1   25   11   27 o   24.205   1.2298   79.602   7.9692   79.134   11.011   80.116   11.548   24.003   1.7194   24.128   1.7949 -0.1253872 2.485504 
1 1 1   25   11   28 o   27.992   1.2718  106.259   9.5619  106.761   12.996  105.665   14.119   27.888   1.7437   27.684   1.9105 0.2038441 2.586638 
1 1 1   25   11   29 o   39.457   0.9809  210.314   10.395  220.171   14.996  201.197   14.422   40.253   1.3871   38.476   1.3956 1.776215 1.967624 
1 1 1   25   11   30 o   14.283   2.1641   28.782   8.0422   28.742   11.364   28.823   11.383   13.963   3.1099   13.982   3.1113 -0.1941395E-01 4.399010 
1 1 1   25   11   31 o   25.241   1.2940   86.723   8.7428   89.232   12.157   84.036   12.582   25.451   1.7899   24.650   1.9154 0.8008270 2.621564 
1 1 1   25   11   32 o   41.875   0.9480  236.973   10.663  228.980   14.443  246.547   15.808   41.047   1.3101   42.564   1.3827 -1.516705 1.904788 
1 1 1   25   11   33 o   18.335   1.6099   46.358   7.8480   52.461   10.463   38.507   11.866   19.366   2.0423   16.261   2.8191 3.105349 3.481129 
1 1 1   25   11   34 o   29.392   1.1810  117.343   9.3236  111.844   11.825  126.378   15.158   28.540   1.5484   30.189   1.8787 -1.649364 2.434607 
1 1 1   25   11   35 o   12.184   2.3815   21.588   7.5141   12.163   9.7734   35.213   11.751   9.3292   3.2160   15.386   2.9508 -6.056978 4.364652 
1 1 1   25   11   36 o   13.516   2.6953   27.095   9.4414   37.347   11.754   8.4492   15.851   15.837   2.8688   9.4756   3.8895 6.361762 4.833004 
1 1 1   25   11   37 o   18.622   2.3449   50.078   11.468   58.103   15.195   39.457   17.481   19.691   2.9650   15.419   4.1356 4.271754 5.088672 
1 1 1   25   11   38 o   10.590   3.6752   17.259   12.774   29.480   19.831   8.5932   16.700   13.088   4.5771   9.4579   3.9471 3.629818 6.043993 
1 1 1   25   11   39 o   7.0420   3.2610  -7.0971   14.620 -91.1000   37.460   7.9976   15.879   7.5556   3.8185   9.1471   3.8355 -1.591500 5.412207 
1 1 1   25   11   40 o   20.006   2.5918   59.971   13.599   46.141   20.543   70.760   18.144   15.764   4.5797   21.109   3.3090 -5.344637 5.650095 
1 1 1   25   11   41 o   17.440   2.8783   47.325   13.012   48.775   19.300   46.117   17.618   16.295   4.3343   16.114   4.0697 0.1811523 5.945492 
1 1 1   25   12  -34 o   6.4745   2.9702  -6.0887   11.731 -21.3862   16.976   7.8935   16.230   6.6156   3.1910   9.4553   3.9139 -2.839672 5.049894 
1 1 1   25   12  -33 o   28.033   1.9667  109.757   14.715   84.590   20.889  134.544   20.731   23.729   3.3725   30.671   2.5393 -6.942404 4.221605 
1 1 1   25   12  -32 f   16.728   2.6564   40.575   11.536   55.094   16.942   28.025   15.752   19.129   3.4231   13.381   4.0420 5.748311 5.296794 
1 1 1   25   12  -31 o   19.260   2.0454   51.933   10.419   54.100   16.336   50.447   13.527   19.074   3.3086   18.666   2.7831 0.4080620 4.323444 
1 1 1   25   12  -30 o   19.220   1.8571   51.278   9.4678   59.186   13.345   43.264   13.434   20.414   2.4851   17.186   3.0206 3.227575 3.911486 
1 1 1   25   12  -29 o   32.287   1.2634  141.524   10.956  151.063   15.440  131.851   15.548   33.155   1.7400   30.909   1.8818 2.246000 2.562958 
1 1 1   25   12  -28 o   6.4477   2.7694   0.1536   8.6238  -3.6435   12.068   4.1157   12.328   7.0032   3.1313   8.2489   3.4125 -1.245672 4.631451 
1 1 1   25   12  -27 o   25.526   1.7471   89.605   11.906   90.696   21.077   89.094   14.429   25.011   3.2118   25.304   2.1431 -0.2937450 3.861112 
1 1 1   25   12  -26 o   34.008   1.2275  156.796   11.212  169.625   16.155  144.877   15.573   35.216   1.7080   32.470   1.7926 2.746197 2.475991 
1 1 1   25   12  -25 o   7.7727   2.9904   6.1839   8.7959   6.5766   12.427   5.7896   12.452   8.7234   3.4934   8.5860   3.4761 0.1374512 4.928218 
1 1 1   25   12  -24 o   28.873   1.4715  113.755   11.374  120.817   14.840  103.700   17.707   29.615   1.8753   27.184   2.4515 2.430563 3.086516 
1 1 1   25   12  -23 o   35.947   1.4855  175.905   14.343  177.835   16.304  169.300   30.164   36.075   1.6827   34.229   3.3228 1.846401 3.724595 
1 1 1   25   12  -22 o   36.555   1.1573  180.919   11.363  180.092   15.984  181.764   16.156   36.324   1.6383   36.489   1.6485 -0.1645889 2.324088 
1 1 1   25   12  -21 o   23.519   1.5063   75.587   9.4654   69.883   13.346   81.360   13.427   22.373   2.2514   24.219   2.0844 -1.845816 3.068178 
1 1 1   25   12  -20 o   23.659   1.4741   76.409   9.3209   76.724   13.427   76.116   12.949   23.497   2.1515   23.429   2.0794 0.6824684E-01 2.992136 
1 1 1   25   12  -19 f   57.994   1.0144  454.309   15.802  437.734   22.537  470.335   22.161   56.741   1.4788   58.852   1.4020 -2.111519 2.037735 
1 1 1   25   12  -18 o   9.3716   2.1944   12.574   5.4263   6.8820   6.2775   29.398   10.792   7.3828   2.5756   14.231   2.9213 -6.848400 3.894556 
1 1 1   25   12  -17 o   44.613   0.9384  268.545   11.245  276.857   14.735  256.951   17.402   45.227   1.2130   43.485   1.4899 1.742290 1.921230 
1 1 1   25   12  -16 o   39.414   0.8835  209.463   9.3535  202.687   11.622  221.920   15.759   38.725   1.1174   40.432   1.4511 -1.707088 1.831468 
1 1 1   25   12  -15 o   15.158   1.4902   31.486   5.9884   32.683   8.2426   30.148   8.7148   15.312   2.0561   14.631   2.2930 0.6809492 3.079821 
1 1 1   25   12  -14 o   5.2072   2.2739  -1.0367   6.0128   12.413   8.8488 -12.5734   8.1955   9.4833   3.0555   4.5755   2.2095 4.907876 3.770729 
1 1 1   25   12  -13 o   34.481   0.8381  160.195   7.7615  157.451   10.538  163.449   11.474   34.135   1.1494   34.764   1.2289 -0.6288643 1.682639 
1 1 1   25   12  -12 o   9.1338   2.2974   11.913   5.6307   6.3678   7.1304   21.099   9.1777   7.4528   2.7280   12.077   2.8713 -4.624608 3.960654 
1 1 1   25   12  -11 o   29.991   0.8867  121.216   7.1423  131.822   9.8236  109.322   10.403   31.235   1.1710   28.414   1.3631 2.821068 1.796998 
1 1 1   25   12  -10 o   28.003   1.0023  105.776   7.5390  101.109   9.6722  112.999   12.034   27.335   1.3174   28.813   1.5608 -1.477865 2.042484 
1 1 1   25   12   -9 o   13.944   1.6143   26.744   5.9342   27.409   8.0252   25.942   8.8146   13.980   2.2108   13.512   2.5215 0.4673624 3.353411 
1 1 1   25   12   -8 o   28.666   0.9850  110.808   7.5835  107.761   11.298  113.307   10.230   28.154   1.4995   28.941   1.3161 -0.7863750 1.995170 
1 1 1   25   12   -7 o   9.3286   2.2677   12.404   5.6265   2.9055   8.0088   21.660   7.9064   6.8529   2.7832   12.337   2.4722 -5.483886 3.722603 
1 1 1   25   12   -6 o   21.201   1.2050   60.921   6.8338   56.937   9.0190   66.291   10.472   20.409   1.6596   22.003   1.7874 -1.593500 2.439083 
1 1 1   25   12   -5 o   14.519   1.5290   28.886   5.8727   30.900   8.4135   26.972   8.2011   14.879   2.1690   13.854   2.2836 1.025435 3.149510 
1 1 1   25   12   -4 o   25.066   1.0193   84.738   6.8623   93.298   9.9416   76.948   9.4841   26.213   1.4173   23.784   1.4922 2.429415 2.058011 
1 1 1   25   12   -3 o   40.414   0.8584  219.994   9.3181  228.872   14.038  213.003   12.458   41.148   1.2702   39.716   1.1679 1.432304 1.725496 
1 1 1   25   12   -2 o   46.495   0.8203  291.107   10.244  281.955   13.963  301.772   15.074   45.701   1.1375   47.269   1.1873 -1.567841 1.644264 
1 1 1   25   12   -1 o   15.778   1.4926   34.024   6.2503   35.955   8.9447   32.182   8.7376   16.086   2.1220   15.184   2.2072 0.9026642 3.061778 
1 1 1   25   12    0 o   20.332   1.2050   56.032   6.5509   55.542   9.2936   56.517   9.2355   20.143   1.7347   20.327   1.7074 -0.1830578 2.434009 
1 1 1   25   12    1 o   8.6414   2.5499   10.469   6.3246   3.4250   9.4593   16.163   8.5053   7.4305   3.0220   10.618   2.9002 -3.187964 4.188553 
1 1 1   25   12    2 o   24.088   1.1354   78.329   7.3461   71.078   11.006   84.154   9.8653   22.786   1.8133   24.880   1.4830 -2.093422 2.342560 
1 1 1   25   12    3 o   42.448   0.8804  242.732   10.037  246.505   15.226  239.832   13.349   42.691   1.3279   42.141   1.1793 0.5503159 1.775963 
1 1 1   25   12    4 o   15.498   1.9040   33.201   7.7591   21.671   14.173   38.136   9.2720   12.320   3.8550   16.570   2.1328 -4.249777 4.405683 
1 1 1   25   12    5 o   24.029   1.2960   78.298   8.3335   84.133   11.867   72.620   11.705   24.804   1.7933   23.007   1.9116 1.797909 2.621093 
1 1 1   25   12    6 o   21.797   1.2885   64.466   7.5100   66.190   9.6264   61.784   12.005   22.020   1.6394   21.147   2.1432 0.8728886 2.698278 
1 1 1   25   12    7 o   13.254   1.8609   24.377   6.4420   17.731   8.7250   32.343   9.5518   11.094   2.8968   15.158   2.4281 -4.063639 3.779836 
1 1 1   25   12    8 o   12.571   1.9966   22.083   6.5158   28.442   8.7566   14.194   9.7531   14.205   2.3793   10.103   3.2029 4.101323 3.989938 
1 1 1   25   12    9 o   15.980   1.9074   35.298   8.0248   37.242   12.123   33.781   10.706   16.141   2.9032   15.420   2.6823 0.7208767 3.952596 
1 1 1   25   12   10 o   13.423   1.9626   25.097   6.8669   23.841   8.9004   26.944   10.794   12.905   2.6563   13.645   3.0246 -0.7395897 4.025446 
1 1 1   25   12   11 o   9.0898   2.6191   11.708   6.7436   12.196   8.4954   10.876   11.088   9.3959   2.9904   9.4365   3.4098 -0.4053497E-01 4.535342 
1 1 1   25   12   12 o   31.319   0.9751  132.304   8.2030  145.591   11.408  118.081   11.803   32.800   1.2949   29.465   1.4964 3.335278 1.978886 
1 1 1   25   12   13 o   12.232   2.1495   21.094   6.8045   19.979   8.9232   22.642   10.519   11.749   2.8556   12.463   3.1428 -0.7144270 4.246344 
1 1 1   25   12   14 o   15.395   1.6900   32.637   6.8733   27.779   8.9070   39.789   10.807   13.991   2.4601   16.806   2.4677 -2.814844 3.484445 
1 1 1   25   12   15 o   20.474   1.3430   57.038   7.3443   63.799   9.5496   47.250   11.490   21.587   1.6597   18.359   2.3867 3.228683 2.907048 
1 1 1   25   12   16 o   17.503   1.6063   42.026   7.4675   43.731   10.579   40.334   10.542   17.676   2.2816   16.933   2.3838 0.7424240 3.299768 
1 1 1   25   12   17 o   12.967   2.1438   23.698   7.2055   17.991   9.1779   32.867   11.633   11.119   3.0027   15.057   2.9821 -3.938246 4.231896 
1 1 1   25   12   18 o   34.330   0.9624  159.081   8.8740  157.632   12.115  160.760   13.035   34.096   1.3228   34.411   1.4104 -0.3142853 1.933690 
1 1 1   25   12   19 f   16.996   1.5908   39.677   7.1773   33.671   9.6561   47.091   10.729   15.416   2.4110   18.348   2.2224 -2.931927 3.279033 
1 1 1   25   12   20 o   30.914   1.0281  129.130   8.5366  128.501   11.646  129.860   12.550   30.755   1.4098   30.891   1.5126 -0.1354504 2.067724 
1 1 1   25   12   21 o   6.1688   2.5622   1.6311   6.9892 -10.7186   9.5065   16.159   10.311   5.2771   2.5018   10.595   3.2837 -5.317933 4.128125 
1 1 1   25   12   22 o   37.761   0.9337  192.511   9.4704  197.792   13.072  186.678   13.739   38.189   1.2745   37.069   1.3799 1.119759 1.878378 
1 1 1   25   12   23 o   19.318   1.4579   51.050   7.5088   47.329   10.330   55.218   10.933   18.405   2.1291   19.915   2.0744 -1.510456 2.972551 
1 1 1   25   12   24 o   19.232   1.4781   50.635   7.5770   52.032   10.336   49.013   11.140   19.342   2.0193   18.683   2.2664 0.6584129 3.035508 
1 1 1   25   12   25 o   13.557   2.1481   25.966   7.5613   23.485   10.701   28.440   10.685   12.595   3.1667   13.941   2.9458 -1.346666 4.324996 
1 1 1   25   12   26 o   11.883   2.4884   20.377   7.6878   10.732   10.886   29.975   10.859   9.2723   3.3742   14.329   2.9205 -5.057210 4.462574 
1 1 1   25   12   27 o   36.412   1.0905  179.415   10.665  179.469   14.331  179.346   15.967   36.306   1.4696   36.232   1.6408 0.7342148E-01 2.202687 
1 1 1   25   12   28 o   9.7981   2.7186   13.942   7.4061   23.468   10.040   2.5712   10.969   12.614   3.0061   7.6187   3.1909 4.995164 4.383868 
1 1 1   25   12   29 o   24.353   1.2717   80.737   8.2892   83.970   11.297   76.966   12.201   24.703   1.7132   23.563   1.9453 1.140114 2.592108 
1 1 1   25   12   30 o   18.763   1.6404   48.539   8.1840   48.198   10.985   48.964   12.268   18.486   2.2595   18.525   2.5321 -0.3887749E-01 3.393646 
1 1 1   25   12   31 o   9.8101   2.9823   14.009   8.5550   19.392   11.565   7.5019   12.714   11.395   3.4682   8.8809   3.5413 2.513755 4.956717 
1 1 1   25   12   32 f   37.120   1.0548  186.763   10.516  177.545   15.102  195.441   14.652   35.996   1.5620   37.822   1.4424 -1.826138 2.126092 
1 1 1   25   12   33 o   6.0576   2.6620  -1.1651   8.3555   12.041   11.157 -18.0345   12.609   9.4659   3.4204   5.6384   2.7271 3.827525 4.374493 
1 1 1   25   12   34 o   23.567   1.5201   76.633   9.5706   65.981   14.682   84.503   12.620   21.308   2.6207   24.556   1.9290 -3.248693 3.254054 
1 1 1   25   12   35 o   8.8000   3.1542   10.615   9.4663   4.3391   13.283   17.093   13.495   8.2752   3.4909   10.681   3.7726 -2.406226 5.139889 
1 1 1   25   12   36 o   26.424   1.8142   98.026   12.798   79.446   19.168  112.973   17.192   22.750   3.2274   28.012   2.3055 -5.262318 3.966243 
1 1 1   25   12   37 o   7.1071   3.3046  -8.0875   15.249   5.6600   21.991 -20.8200   21.164   9.7677   4.3046   7.4573   3.5884 2.310366 5.604119 
1 1 1   25   12   38 o   14.264   3.8806   34.820   15.262   56.293   20.191   6.1920   23.313   17.889   4.2627   9.8523   4.3823 8.036920 6.113530 
1 1 1   25   12   39 o   6.7237   3.1689  -9.8903   14.839 -18.1600   32.439  -7.7019   16.688   9.1536   4.4142   7.3413   3.4280 1.812304 5.588976 
1 1 1   25   12   40 o   9.7752   4.1099   12.906   18.312   0.0000   0.0000   12.906   18.312  ?   ?    9.7752   4.1099 0.000000 4.109901 
1 1 1   25   13  -33 o   8.3431   3.7375  -1.7263   17.281  -1.7263   17.281   0.0000   0.0000   8.3431   3.7375  ?   ?  0.000000 3.737482 
1 1 1   25   13  -32 o   13.721   3.4925   29.489   12.904   43.314   18.351   15.966   18.149   16.245   4.1812   10.954   4.2727 5.291269 5.978147 
1 1 1   25   13  -31 o   5.4722   2.6378 -15.7626   11.555 -16.2145   15.806 -15.2438   16.935   6.7140   3.1954   7.0908   3.3551 -0.3768544 4.633311 
1 1 1   25   13  -30 o   13.591   2.9665   27.561   10.525   6.2637   17.681   39.247   13.098   9.6007   4.0376   16.209   3.1217 -6.608662 5.103675 
1 1 1   25   13  -29 o   15.525   2.5808   34.849   10.384   40.442   17.054   31.553   13.090   16.078   3.9722   14.405   3.4322 1.673133 5.249612 
1 1 1   25   13  -28 o   29.393   1.3302  117.573   10.502  124.648   15.217  111.139   14.512   30.006   1.8979   28.317   1.9193 1.688667 2.699191 
1 1 1   25   13  -27 o   32.656   1.2389  144.794   10.867  144.795   15.585  144.794   15.160   32.416   1.7971   32.439   1.7464 -0.2278519E-01 2.505903 
1 1 1   25   13  -26 o   26.435   1.5973   95.829   11.288   88.454   18.218  100.424   14.381   24.883   2.7731   26.906   2.0043 -2.023657 3.421636 
1 1 1   25   13  -25 o   19.438   1.9087   52.445   9.8367   63.525   15.145   44.361   12.937   21.074   2.7406   17.514   2.8479 3.559334 3.952358 
1 1 1   25   13  -24 o   52.007   1.0663  365.971   14.895  383.249   21.279  349.372   20.857   53.030   1.4940   50.611   1.5343 2.418121 2.141509 
1 1 1   25   13  -23 o   15.345   2.2825   33.340   9.1212   28.371   12.743   38.560   13.062   13.748   3.4550   16.206   3.1141 -2.457732 4.651276 
1 1 1   25   13  -22 o   22.081   1.8208   67.328   10.703   76.817   13.316   50.006   17.990   23.480   2.1348   18.177   3.8068 5.302326 4.364489 
1 1 1   25   13  -21 o   33.354   1.4239  151.368   12.756  149.889   15.167  154.941   23.578   33.052   1.7143   33.113   2.6739 -0.6063843E-01 3.176293 
1 1 1   25   13  -20 o   20.466   1.7947   57.827   9.7661   67.607   12.928   44.826   14.905   21.990   2.2191   17.431   3.3046 4.559090 3.980498 
1 1 1   25   13  -19 o   32.976   0.9077  146.796   8.0391  146.453   9.6031  147.599   14.697   32.900   1.0867   32.822   1.6727 0.7843781E-01 1.994728 
1 1 1   25   13  -18 o   21.318   1.1841   61.752   6.7535   61.393   7.9975   62.642   12.609   21.204   1.4123   21.157   2.2535 0.4732895E-01 2.659491 
1 1 1   25   13  -17 o   31.150   0.9806  131.076   8.2044  133.652   9.9425  125.576   14.525   31.414   1.1784   30.232   1.7968 1.182133 2.148763 
1 1 1   25   13  -16 o   20.844   1.0930   58.922   6.0980   71.127   8.2424   44.164   9.0636   22.851   1.3489   17.842   1.9216 5.008724 2.347813 
1 1 1   25   13  -15 o   22.571   1.2476   69.245   7.5343   66.008   10.419   72.792   10.908   21.898   1.7871   23.005   1.7792 -1.106873 2.521761 
1 1 1   25   13  -14 o   9.5811   2.4171   13.220   6.2196   13.588   8.5570   12.808   9.0559   9.7655   2.9856   9.5805   3.0915 0.1849861 4.297834 
1 1 1   25   13  -13 o   61.090   0.9066  503.485   14.875  529.491   24.369  488.039   18.780   62.426   1.4534   60.057   1.1642 2.368301 1.862181 
1 1 1   25   13  -12 o   9.4355   2.3009   12.773   5.7787   9.0151   7.4914   18.294   9.0805   8.2780   2.8167   11.206   2.9693 -2.928326 4.092706 
1 1 1   25   13  -11 o   15.825   1.4066   34.241   5.9163   30.861   7.8600   38.660   8.9864   14.873   2.0198   16.666   2.0508 -1.793256 2.878457 
1 1 1   25   13  -10 o   27.203   0.9678   99.859   7.0715  102.729   9.6513   96.531   10.391   27.537   1.3049   26.626   1.4585 0.9109917 1.957041 
1 1 1   25   13   -9 o   45.984   0.8945  285.118   11.048  289.056   15.430  280.976   15.826   46.214   1.2431   45.548   1.2936 0.6651535 1.794099 
1 1 1   25   13   -8 o   10.813   2.1156   16.573   5.9240   10.186   7.9402   24.591   8.8968   8.7121   2.8997   13.096   2.6207 -4.384295 3.908525 
1 1 1   25   13   -7 o   12.475   2.0084   21.815   6.5011   22.037   8.4627   21.495   10.155   12.384   2.6256   12.141   3.1024 0.2431374 4.064356 
1 1 1   25   13   -6 o   21.915   1.1445   65.079   6.7132   67.397   9.5209   62.788   9.4672   22.208   1.6070   21.419   1.6585 0.7891445 2.309372 
1 1 1   25   13   -5 o   33.389   0.9302  150.331   8.3423  167.623   12.634  136.964   11.108   35.180   1.3371   31.807   1.3003 3.372318 1.865071 
1 1 1   25   13   -4 o   30.876   0.9236  128.544   7.6591  147.006   11.091  111.712   10.590   32.963   1.2527   28.714   1.3731 4.249525 1.858672 
1 1 1   25   13   -3 o   39.333   0.8530  208.473   9.0113  210.249   12.512  206.558   12.989   39.438   1.1812   39.078   1.2376 0.3601303 1.710754 
1 1 1   25   13   -2 o   37.991   0.8540  194.494   8.7144  195.428   12.339  193.565   12.309   38.018   1.2084   37.835   1.2113 0.1822281 1.710948 
1 1 1   25   13   -1 o   31.899   0.9264  137.198   7.9376  145.419   11.478  129.663   10.989   32.777   1.3038   30.947   1.3221 1.830006 1.856798 
1 1 1   25   13    0 f   24.745   1.0623   82.666   7.0604   81.875   9.9806   83.458   9.9891   24.513   1.5234   24.753   1.5097 -0.2398472 2.144737 
1 1 1   25   13    1 o   29.763   0.9666  119.482   7.7269  120.789   10.917  118.169   10.939   29.862   1.3611   29.533   1.3790 0.3290253 1.937559 
1 1 1   25   13    2 o   48.690   0.8489  319.450   11.102  322.143   16.477  317.210   15.024   48.797   1.2572   48.450   1.1545 0.3472099 1.706881 
1 1 1   25   13    3 o   11.682   2.3989   19.468   7.2751   31.046   12.171   13.031   9.0749   14.600   3.1926   9.6897   3.0914 4.910221 4.444042 
1 1 1   25   13    4 o   31.205   1.0089  131.398   8.4556  141.032   11.272  119.001   12.787   32.277   1.3002   29.543   1.6176 2.734674 2.075391 
1 1 1   25   13    5 o   14.372   1.8682   28.649   7.0411   34.709   10.661   23.959   9.3777   15.627   2.6335   12.889   2.7898 2.738163 3.836491 
1 1 1   25   13    6 o   39.137   1.1864  207.098   12.472  205.438   24.641  207.670   14.461   38.515   2.3938   39.146   1.3754 -0.6308250 2.760793 
1 1 1   25   13    7 o   13.670   2.1830   26.271   7.7454   32.328   10.732   19.686   11.189   15.025   2.7612   11.642   3.3794 3.383118 4.364011 
1 1 1   25   13    8 o   36.422   0.9907  179.023   9.6916  187.822   13.021  168.092   14.512   37.241   1.3017   35.173   1.5361 2.067955 2.013509 
1 1 1   25   13    9 o   22.458   1.2994   68.537   7.8048   70.546   10.010   65.422   12.464   22.706   1.6528   21.716   2.1658 0.9899883 2.724442 
1 1 1   25   13   10 o   4.8197   2.2160  -4.6518   6.5808  -9.8664   8.7925   1.9899   9.9230   5.1006   2.4146   7.2562   3.0366 -2.155618 3.879635 
1 1 1   25   13   11 o   15.566   1.6931   33.404   6.9649   30.537   9.0447   37.580   10.917   14.693   2.3727   16.265   2.5855 -1.571568 3.509221 
1 1 1   25   13   12 o   45.873   0.8843  283.795   10.896  294.234   14.664  270.928   16.281   46.635   1.1707   44.693   1.3562 1.941307 1.791632 
1 1 1   25   13   13 o   31.804   0.9827  136.572   8.3949  145.173   11.436  126.524   12.362   32.725   1.3011   30.502   1.5089 2.223124 1.992423 
1 1 1   25   13   14 o   18.969   1.4422   49.169   7.2931   49.677   9.3618   48.385   11.632   18.961   1.8623   18.544   2.3911 0.4170170 3.030767 
1 1 1   25   13   15 o   20.833   1.4431   59.266   8.0254   57.355   11.104   61.356   11.612   20.318   2.0634   21.014   2.0849 -0.6961079 2.933329 
1 1 1   25   13   16 o   23.589   1.3250   75.741   8.3605   80.823   10.321   66.038   14.259   24.299   1.5901   21.647   2.4983 2.651997 2.961431 
1 1 1   25   13   17 o   21.633   1.3040   63.723   7.5412   69.500   10.179   56.694   11.228   22.491   1.6975   20.175   2.1029 2.315891 2.702513 
1 1 1   25   13   18 o   22.489   1.2921   68.844   7.7719   64.508   10.445   74.223   11.633   21.624   1.8152   23.182   1.8846 -1.558090 2.616568 
1 1 1   25   13   19 o   18.245   1.5711   45.721   7.6240   44.414   10.443   47.212   11.156   17.780   2.2363   18.309   2.3206 -0.5294209 3.222762 
1 1 1   25   13   20 o   9.3329   2.7677   12.505   7.4358   23.972   10.456   0.7706   10.577   12.736   3.0883   7.2011   3.0792 5.535343 4.361128 
1 1 1   25   13   21 o   5.8125   2.5055  -0.2182   7.1072  -3.1231   9.9686   2.7850   10.136   6.3879   2.8517   7.4218   3.0843 -1.033965 4.200646 
1 1 1   25   13   22 o   14.391   2.0998   29.160   7.8776   26.247   11.501   31.734   10.812   13.279   3.2508   14.775   2.8275 -1.495871 4.308431 
1 1 1   25   13   23 o   21.246   1.4211   61.691   8.0625   69.894   11.300   53.185   11.507   22.477   1.8893   19.465   2.2419 3.011501 2.931863 
1 1 1   25   13   24 o   36.336   0.9736  178.430   9.5017  183.269   12.980  172.844   13.946   36.731   1.3157   35.625   1.4575 1.105854 1.963519 
1 1 1   25   13   25 o   18.882   1.6412   49.093   8.2405   49.902   12.289   48.432   11.108   18.741   2.5041   18.545   2.2779 0.1959057 3.385136 
1 1 1   25   13   26 o   16.591   1.8514   38.272   8.1095   52.963   10.353   14.950   13.045   19.495   2.0058   10.488   3.7086 9.007463 4.216304 
1 1 1   25   13   27 o   7.6930   2.8097   7.1257   7.5579   2.8958   9.5122   14.368   12.447   7.2362   2.9960   10.272   3.6237 -3.036098 4.701774 
1 1 1   25   13   28 o   5.1464   2.4033  -7.1409   8.2044 -11.9416   11.064  -1.2773   12.228   5.6915   2.6985   7.3387   3.2227 -1.647257 4.203327 
1 1 1   25   13   29 o   16.154   2.1418   36.888   9.0638   43.115   11.813   27.974   14.133   17.283   2.6275   13.457   3.7633 3.826413 4.589823 
1 1 1   25   13   30 o   13.282   2.5703   25.762   8.8382   30.082   11.754   20.141   13.407   14.124   3.1756   11.559   3.7641 2.565166 4.924733 
1 1 1   25   13   31 o   4.3068   2.0724  -9.9062   7.0580 -20.8506   9.4628   3.8168   10.596   4.3518   2.1561   7.6310   3.1609 -3.279131 3.826256 
1 1 1   25   13   32 o   10.330   2.6659   15.948   7.4468   16.823   9.9996   14.858   11.158   10.533   3.2287   10.068   3.4375 0.4649220 4.716010 
1 1 1   25   13   33 o   17.748   2.1577   45.098   10.074   51.884   13.957   37.717   14.556   18.632   2.8820   15.412   3.5841 3.219893 4.599124 
1 1 1   25   13   34 o   25.071   1.8984   88.691   12.689  104.824   19.656   77.164   16.615   26.551   2.7985   22.770   2.7741 3.780895 3.940417 
1 1 1   25   13   35 o   16.912   2.5856   42.650   11.372   57.449   17.218   31.200   15.145   18.947   3.5127   13.578   3.9286 5.368342 5.270042 
1 1 1   25   13   36 f   9.1742   3.7913   9.4690   15.193   20.940   33.649   6.5318   17.027   12.001   5.3049   9.0285   3.8849 2.972325 6.575275 
1 1 1   25   13   37 o   15.950   5.0806   52.240   24.518   0.0000   0.0000   52.240   24.518  ?   ?    15.950   5.0806 0.000000 5.080642 
1 1 1   25   13   38 o   9.0341   3.9396   7.3049   17.992   0.0000   0.0000   7.3049   17.992  ?   ?    9.0341   3.9396 0.000000 3.939590 
1 1 1   25   14  -32 o   17.796   4.5445   55.720   21.798   55.720   21.798   0.0000   0.0000   17.796   4.5445  ?   ?  0.000000 4.544538 
1 1 1   25   14  -31 o   8.3106   3.7113  -1.0485   16.897  -1.0485   16.897   0.0000   0.0000   8.3106   3.7113  ?   ?  0.000000 3.711262 
1 1 1   25   14  -30 o   22.785   2.2315   74.073   13.481   74.540   19.474   73.644   18.682   22.056   3.3962   22.028   3.2558 0.2833557E-01 4.704727 
1 1 1   25   14  -29 f   23.818   1.7580   78.902   11.167   67.559   18.760   85.126   13.897   21.050   3.4367   24.551   2.1285 -3.501287 4.042496 
1 1 1   25   14  -28 o   34.240   1.4179  160.330   13.040  188.655   21.674  144.259   16.325   36.612   2.2145   32.200   1.8960 4.411480 2.915223 
1 1 1   25   14  -27 o   6.0138   2.7421  -5.0091   9.7989 -11.3687   15.615  -0.8782   12.585   7.1151   3.3202   7.4579   3.2724 -0.3428259 4.661836 
1 1 1   25   14  -26 o   32.907   1.2296  147.190   10.868  142.545   15.433  151.760   15.307   32.121   1.7961   33.182   1.7234 -1.061230 2.489156 
1 1 1   25   14  -25 o   22.538   1.6326   69.941   9.8157   74.552   13.982   65.461   13.783   23.004   2.2935   21.481   2.4317 1.523378 3.342702 
1 1 1   25   14  -24 o   11.431   3.2577   19.468   10.488   3.7547   18.268   27.194   12.809   9.4863   4.0513   13.390   3.5165 -3.903461 5.364625 
1 1 1   25   14  -23 o   60.929   1.0488  502.471   17.164  481.831   24.233  523.252   24.315   59.412   1.5186   61.950   1.4613 -2.538200 2.107521 
1 1 1   25   14  -22 o   25.255   1.5063   87.309   10.171   89.046   14.736   85.728   14.056   25.242   2.1954   24.792   2.1316 0.4501514 3.060001 
1 1 1   25   14  -21 o   13.841   2.6971   27.822   9.6658   31.047   12.526   23.075   15.197   14.413   3.3059   12.425   4.0044 1.988438 5.192705 
1 1 1   25   14  -20 o   14.034   2.5086   28.318   9.1088   40.930   12.381   13.439   13.448   16.801   2.8453   10.220   3.7457 6.581426 4.703782 
1 1 1   25   14  -19 o   7.4314   2.4048   7.5508   5.4766   8.1710   6.1544   5.1907   12.005   7.7528   2.5516   8.3442   3.4003 -0.5914588 4.251165 
1 1 1   25   14  -18 o   40.710   0.9929  224.064   10.856  222.986   12.074  228.615   24.811   40.579   1.1078   40.484   2.2912 0.9480667E-01 2.544899 
1 1 1   25   14  -17 o   31.276   0.9379  132.150   7.8791  135.579   10.309  127.331   12.219   31.617   1.2139   30.564   1.4884 1.052534 1.920687 
1 1 1   25   14  -16 o   33.281   0.9599  149.663   8.5803  139.793   12.246  159.183   12.026   32.048   1.4226   34.233   1.3079 -2.185799 1.932514 
1 1 1   25   14  -15 o   12.435   1.8257   21.641   5.9162   22.471   7.6692   20.420   9.2974   12.519   2.3675   11.776   2.9466 0.7432384 3.779880 
1 1 1   25   14  -14 o   39.592   0.8415  211.482   8.9486  224.172   12.201  196.707   13.165   40.692   1.1163   38.067   1.2876 2.624672 1.704113 
1 1 1   25   14  -13 o   15.553   1.6276   33.376   6.6985   36.830   8.7208   28.406   10.461   16.227   2.0465   13.948   2.8875 2.278866 3.539170 
1 1 1   25   14  -12 o   23.287   1.1302   73.411   7.0688   67.788   9.5235   80.311   10.549   22.232   1.6057   24.200   1.6324 -1.967743 2.289789 
1 1 1   25   14  -11 o   17.475   1.5605   41.943   7.2470   45.014   10.669   39.313   9.8744   17.895   2.2709   16.711   2.2578 1.184229 3.202281 
1 1 1   25   14  -10 o   7.0933   2.5421   6.1044   6.1490   12.006   8.8146   0.5097   8.5821   9.3105   3.0531   6.5115   2.7787 2.798982 4.128327 
1 1 1   25   14   -9 o   17.285   1.4953   40.954   6.8739   45.673   9.8582   36.489   9.5898   18.103   2.0643   16.089   2.2832 2.013952 3.078047 
1 1 1   25   14   -8 o   6.3512   2.6066   2.2231   7.1179   2.8070   8.6884   1.0313   12.413   7.0050   2.8780   7.8013   3.3358 -0.7962847 4.405712 
1 1 1   25   14   -7 o   31.269   1.0786  132.195   9.0585  138.357   12.369  125.068   13.303   31.904   1.4435   30.237   1.6442 1.667192 2.187916 
1 1 1   25   14   -6 o   20.662   1.3135   58.128   7.2516   67.619   10.743   50.183   9.8288   22.158   1.8212   19.031   1.9504 3.127420 2.668480 
1 1 1   25   14   -5 o   10.672   2.3705   16.364   6.6180   11.796   10.342   19.531   8.6120   9.4740   3.3059   11.584   2.7992 -2.109545 4.331750 
1 1 1   25   14   -4 o   24.367   1.1858   80.370   7.7606   86.294   11.888   75.970   10.245   25.067   1.7772   23.555   1.6293 1.512203 2.411007 
1 1 1   25   14   -3 o   16.354   1.5994   36.762   6.9355   32.375   10.898   39.748   8.9915   14.984   2.8111   16.900   2.0209 -1.916834 3.462135 
1 1 1   25   14   -2 o   22.927   1.2247   71.378   7.5145   84.437   11.783   62.426   9.7559   24.796   1.7811   21.320   1.7182 3.476202 2.474773 
1 1 1   25   14   -1 o   27.983   1.0724  105.832   8.0601  106.264   12.516  105.527   10.536   27.864   1.6801   27.843   1.4134 0.2076721E-01 2.195613 
1 1 1   25   14    0 o   20.644   1.3242   58.021   7.3040   59.930   11.272   56.639   9.5895   20.793   2.0448   20.286   1.7779 0.5063210 2.709651 
1 1 1   25   14    1 o   28.978   1.0581  113.473   8.2359  113.893   12.549  113.155   10.916   28.868   1.6251   28.869   1.4077 -0.1729965E-02 2.150038 
1 1 1   25   14    2 o   8.2216   2.6827   9.1915   6.8087   5.6731   10.493   11.750   8.9483   8.1203   3.2237   9.2768   3.0779 -1.156561 4.457077 
1 1 1   25   14    3 o   13.784   2.4729   27.107   8.8192   30.033   12.659   24.347   12.293   14.248   3.3622   12.816   3.4811 1.431890 4.839658 
1 1 1   25   14    4 o   14.131   2.0504   27.978   7.5553   11.199   12.632   37.322   9.4273   9.7118   3.6174   16.313   2.2084 -6.600804 4.238207 
1 1 1   25   14    5 o   9.1500   2.5529   12.009   6.5119   3.5615   8.7518   22.486   9.7468   7.1902   2.9131   12.399   2.9665 -5.208971 4.157684 
1 1 1   25   14    6 o   10.136   2.6071   14.866   7.1379   4.4558   10.793   22.957   9.5159   7.9492   3.2300   12.545   2.8844 -4.595920 4.330449 
1 1 1   25   14    7 o   23.409   1.3654   74.636   8.5479   65.562   12.129   83.590   12.049   21.722   2.1053   24.644   1.8334 -2.921841 2.791679 
1 1 1   25   14    8 o   29.093   1.1044  114.491   8.6304  112.854   12.432  116.014   11.990   28.723   1.6180   29.150   1.5369 -0.4263401 2.231601 
1 1 1   25   14    9 o   17.462   1.5337   41.834   7.1204   43.591   9.8071   39.875   10.355   17.667   2.1084   16.806   2.3589 0.8610973 3.163773 
1 1 1   25   14   10 o   6.8473   2.6912   4.1313   7.2446   5.0711   8.6192   1.8696   13.372   7.4735   2.9360   8.1797   3.4790 -0.7062840 4.552348 
1 1 1   25   14   11 o   16.192   1.7497   36.269   7.4885   28.241   9.5395   49.161   12.088   14.000   2.6336   18.638   2.4761 -4.637633 3.614780 
1 1 1   25   14   12 o   24.291   1.2298   80.194   7.9971   86.422   10.448   71.385   12.427   25.131   1.5556   22.667   2.0637 2.463820 2.584318 
1 1 1   25   14   13 o   42.081   0.9906  239.306   11.197  262.964   17.229  222.009   14.732   43.951   1.4594   40.421   1.3569 3.530411 1.992795 
1 1 1   25   14   14 o   26.754   1.3231   97.223   9.5075   96.934   13.174   97.536   13.735   26.508   1.8621   26.561   1.9387 -0.5304146E-01 2.688113 
1 1 1   25   14   15 o   11.063   2.6512   17.845   7.7752   30.218   10.569   3.2510   11.479   14.405   2.8326   7.8783   3.2788 6.526935 4.332943 
1 1 1   25   14   16 o   39.199   1.0088  207.761   10.622  200.228   14.788  215.787   15.266   38.350   1.4357   39.815   1.4275 -1.465195 2.024591 
1 1 1   25   14   17 o   8.2886   2.7427   9.3766   7.1072   5.7865   9.6924   13.552   10.453   7.8936   3.1095   9.8773   3.3273 -1.983771 4.554102 
1 1 1   25   14   18 o   23.821   1.3401   77.373   8.5391   81.121   11.760   73.194   12.419   24.242   1.8195   22.941   2.0366 1.300537 2.730957 
1 1 1   25   14   19 o   22.123   1.3439   66.779   7.9480   64.697   10.783   69.256   11.761   21.614   1.8761   22.329   1.9815 -0.7156086 2.728791 
1 1 1   25   14   20 o   11.001   2.5136   17.583   7.2644   17.097   9.5913   18.236   11.126   10.784   3.1283   11.133   3.4045 -0.3489685 4.623460 
1 1 1   25   14   21 o   13.907   2.0613   27.260   7.4665   22.594   10.031   33.056   11.181   12.349   3.0438   15.051   2.8705 -2.702221 4.183869 
1 1 1   25   14   22 o   35.794   1.0076  173.282   9.6874  189.215   13.318  155.380   14.117   37.306   1.3291   33.729   1.5583 3.576725 2.048106 
1 1 1   25   14   23 o   22.759   1.4189   70.820   8.6302   63.361   10.934   83.146   14.056   21.360   1.9265   24.390   2.1682 -3.029890 2.900448 
1 1 1   25   14   24 o   6.6259   2.8422   0.4156   9.0622   7.3914   11.419 -11.4548   14.895   8.6040   3.3796   6.9528   3.2439 1.651180 4.684535 
1 1 1   25   14   25 o   13.218   2.3556   25.096   8.0564   22.458   10.127   29.642   13.296   12.267   3.0786   13.947   3.5425 -1.679701 4.693339 
1 1 1   25   14   26 o   19.592   1.7376   53.176   9.0488   51.074   12.108   55.835   13.619   18.923   2.4391   19.703   2.6397 -0.7802715 3.594071 
1 1 1   25   14   27 o   6.4673   2.7206   1.5645   8.0317 -13.4930   11.617   15.353   11.117   5.7116   2.7241   10.297   3.4313 -4.585109 4.381151 
1 1 1   25   14   28 o   20.155   1.4767   55.916   7.9383   53.523   10.606   58.963   11.970   19.496   2.0565   20.396   2.2210 -0.9002705 3.026887 
1 1 1   25   14   29 f   10.978   2.5900   17.883   7.5135   13.523   10.101   23.283   11.241   9.6762   3.2708   12.289   3.3250 -2.612348 4.664124 
1 1 1   25   14   30 o   9.9684   2.7374   14.912   7.5530   6.1313   10.069   26.212   11.422   7.8972   3.1507   12.996   3.2738 -5.099158 4.543601 
1 1 1   25   14   31 o   26.664   1.3113   97.435   9.3911  101.855   13.323   93.070   13.240   26.938   1.8526   25.696   1.9324 1.241623 2.677035 
1 1 1   25   14   32 o   6.2260   2.8626  -5.5208   10.981   1.8716   16.711 -11.1382   14.567   8.5416   3.7588   6.6779   3.1450 1.863692 4.900962 
1 1 1   25   14   33 o   24.586   2.1010   86.803   13.741   78.565   25.777   90.073   16.241   20.874   4.7096   24.743   2.4770 -3.869101 5.321300 
1 1 1   25   14   34 o   11.919   3.9834   24.441   14.980   0.0000   0.0000   24.441   14.980  ?   ?    11.919   3.9834 0.000000 3.983381 
1 1 1   25   14   35 o   12.638   4.2038   29.110   16.689   0.0000   0.0000   29.110   16.689  ?   ?    12.638   4.2038 0.000000 4.203789 
1 1 1   25   14   36 o   11.285   4.2426   23.063   17.456   0.0000   0.0000   23.063   17.456  ?   ?    11.285   4.2426 0.000000 4.242562 
1 1 1   25   15  -30 o   11.204   4.2774   19.627   17.910   19.627   17.910   0.0000   0.0000   11.204   4.2774  ?   ?  0.000000 4.277447 
1 1 1   25   15  -29 o   9.5366   3.9610   9.1663   16.703   9.1663   16.703   0.0000   0.0000   9.5366   3.9610  ?   ?  0.000000 3.960953 
1 1 1   25   15  -28 o   8.1998   3.6457  -0.7136   16.118  -0.7136   16.118   0.0000   0.0000   8.1998   3.6457  ?   ?  0.000000 3.645720 
1 1 1   25   15  -27 o   11.142   3.2318   19.071   10.237   13.866   17.483   21.787   12.629   10.521   4.1661   11.794   3.6306 -1.272907 5.526100 
1 1 1   25   15  -26 o   25.963   1.6899   93.427   11.720   93.182   20.305   93.549   14.353   25.064   3.0811   25.771   2.0916 -0.7070923 3.723957 
1 1 1   25   15  -25 o   21.381   1.8554   63.757   10.550   56.572   17.600   67.786   13.180   19.238   3.5364   21.851   2.2792 -2.613073 4.207274 
1 1 1   25   15  -24 o   3.9383   1.9737 -24.5495   8.9481  -6.1891   14.437 -36.0032   11.403   7.3077   3.3306   4.2004   2.1209 3.107360 3.948523 
1 1 1   25   15  -23 o   19.526   2.0469   53.480   10.575   73.081   17.188   41.540   13.415   22.403   2.9264   16.726   3.1003 5.676838 4.263324 
1 1 1   25   15  -22 o   11.678   3.0249   20.347   9.5639  -4.9505   15.539   35.773   12.134   7.7742   3.5081   15.554   3.0134 -7.779757 4.624661 
1 1 1   25   15  -21 o   14.332   2.4071   29.480   8.9377   32.456   13.055   26.854   12.262   14.661   3.3840   13.314   3.4131 1.346964 4.806298 
1 1 1   25   15  -20 o   7.4524   2.4293   7.5981   5.5837   7.7005   6.2296   7.1800   12.593   7.5931   2.5686   8.8085   3.5204 -1.215343 4.357876 
1 1 1   25   15  -19 o   28.369   1.1316  109.096   8.6222  103.322   9.6513  131.922   19.190   27.566   1.3035   30.648   2.3490 -3.082230 2.686469 
1 1 1   25   15  -18 o   16.022   1.5445   35.376   6.5640   30.277   7.8666   47.064   11.910   14.663   2.0538   18.163   2.5082 -3.499660 3.241795 
1 1 1   25   15  -17 o   32.660   0.9562  144.199   8.3880  154.637   12.404  135.404   11.386   33.705   1.3701   31.548   1.3438 2.157612 1.919118 
1 1 1   25   15  -16 o   8.6282   2.4450   10.720   5.9249   21.710   7.7015  -5.2155   9.2740   12.264   2.4240   5.8237   2.6601 6.440312 3.598869 
1 1 1   25   15  -15 o   12.009   1.9813   20.392   6.1679   25.152   7.8308   12.615   10.011   13.273   2.2787   9.5645   3.2560 3.708238 3.974141 
1 1 1   25   15  -14 o   8.5326   2.5851   10.368   6.4362   11.676   7.6320   7.1481   11.976   9.0575   2.8281   8.6883   3.4456 0.3691692 4.457626 
1 1 1   25   15  -13 o   43.216   0.9099  252.285   10.562  251.675   13.021  253.459   18.060   43.097   1.1249   43.073   1.5611 0.2452469E-01 1.924112 
1 1 1   25   15  -12 o   28.059   1.2148  106.832   9.1550  120.069   11.864   87.348   14.394   29.633   1.4954   25.010   2.1641 4.622452 2.630553 
1 1 1   25   15  -11 o   27.682   1.0751  103.744   7.9939  110.338   11.272   97.072   11.338   28.409   1.4824   26.605   1.5940 1.804298 2.176789 
1 1 1   25   15  -10 o   21.293   1.2513   61.754   7.1247   55.005   9.7967   69.330   10.380   19.923   1.8520   22.425   1.7369 -2.501726 2.539026 
1 1 1   25   15   -9 o   22.232   1.2764   67.334   7.5902   59.319   10.958   74.724   10.523   20.646   2.0012   23.303   1.6929 -2.656363 2.621214 
1 1 1   25   15   -8 o   11.825   2.2331   19.992   6.8324   16.427   9.9406   23.184   9.4064   10.607   3.2125   12.568   2.8520 -1.960430 4.295846 
1 1 1   25   15   -7 o   20.329   1.4948   56.628   8.1047   67.756   13.542   50.418   10.116   21.953   2.3325   19.021   2.0106 2.931690 3.079468 
1 1 1   25   15   -6 o   38.028   0.9972  195.497   10.186  201.177   14.198  189.474   14.620   38.462   1.3744   37.297   1.4594 1.165100 2.004713 
1 1 1   25   15   -5 o   44.130   0.9481  263.102   11.238  264.919   15.797  261.240   15.990   44.155   1.3320   43.837   1.3580 0.3177757 1.902190 
1 1 1   25   15   -4 o   11.722   2.2917   19.691   6.9569   19.639   10.347   19.735   9.3983   11.521   3.2193   11.569   2.9995 -0.4862404E-01 4.400075 
1 1 1   25   15   -3 o   16.742   1.6043   38.610   7.1259   33.799   10.967   42.125   9.3744   15.278   2.7748   17.362   2.0497 -2.084436 3.449746 
1 1 1   25   15   -2 f   35.156   0.9606  166.984   9.0708  160.929   14.098  171.261   11.849   34.355   1.5278   35.532   1.2416 -1.176746 1.968707 
1 1 1   25   15   -1 o   10.589   2.5276   16.279   7.0890  -2.5921   11.575   27.605   8.9675   6.9938   3.1005   13.868   2.4994 -6.874619 3.982422 
1 1 1   25   15    0 o   15.564   1.7825   33.610   7.3172   27.450   11.935   37.320   9.2623   13.568   3.3054   16.292   2.1707 -2.723430 3.954487 
1 1 1   25   15    1 o   16.463   2.0929   37.984   9.0453   33.080   14.384   41.192   11.634   14.793   3.6440   16.959   2.6399 -2.165732 4.499781 
1 1 1   25   15    2 f   26.187   1.2640   93.058   8.8901   94.331   14.798   92.340   11.121   26.038   2.1347   25.957   1.6029 0.8042336E-01 2.669540 
1 1 1   25   15    3 o   33.517   1.0491  151.960   9.4446  152.285   16.000  151.786   11.700   33.277   1.7968   33.433   1.3030 -0.1555862 2.219511 
1 1 1   25   15    4 o   9.2496   2.9052   12.128   8.0407   29.816   14.996   4.9911   9.5256   13.984   3.8642   7.6848   3.0650 6.299509 4.932132 
1 1 1   25   15    5 o   9.3824   2.9634   12.485   8.3550   5.7212   15.990   15.025   9.7993   9.3406   3.8771   10.218   3.2068 -0.8776741 5.031504 
1 1 1   25   15    6 o   31.705   1.0927  136.077   9.3056  128.546   13.834  142.301   12.576   30.604   1.6896   32.326   1.4484 -1.721954 2.225440 
1 1 1   25   15    7 o   7.5373   2.7640   6.7121   7.3247   19.951   11.087  -3.5429   9.7575   11.596   3.3631   6.2458   2.8025 5.350584 4.377686 
1 1 1   25   15    8 o   13.466   2.6508   26.290   9.2462   11.961   14.700   35.671   11.894   10.124   3.8728   15.627   2.9416 -5.502875 4.863295 
1 1 1   25   15    9 o   16.363   1.7671   37.126   7.6433   39.524   11.025   34.907   10.605   16.623   2.5509   15.573   2.6291 1.049723 3.663242 
1 1 1   25   15   10 o   21.605   1.3051   63.646   7.5376   60.091   9.9763   68.376   11.506   20.848   1.7992   22.195   1.9499 -1.346777 2.653169 
1 1 1   25   15   11 o   4.3528   2.1137 -12.7632   7.7707 -24.8140   10.771   0.3180   11.222   4.5931   2.2799   7.3022   3.1479 -2.709169 3.886827 
1 1 1   25   15   12 o   27.684   1.2875  104.126   9.5736  101.214   13.809  106.821   13.285   27.044   1.9134   27.839   1.7861 -0.7946148 2.617485 
1 1 1   25   15   13 o   34.351   1.0755  159.767   9.9228  152.772   12.295  172.838   16.806   33.507   1.3661   35.485   1.7633 -1.978607 2.230555 
1 1 1   25   15   14 o   34.570   1.0135  161.670   9.4107  160.711   12.591  162.883   14.165   34.366   1.3641   34.540   1.5268 -0.1743393 2.047428 
1 1 1   25   15   15 o   5.0459   2.3105  -4.3982   7.0545  -4.2980   9.1171  -4.5477   11.136   5.8936   2.6707   6.5663   2.9658 -0.6727390 3.991071 
1 1 1   25   15   16 o   15.510   1.9290   33.637   7.8623   33.469   10.258   33.876   12.241   15.236   2.6000   15.124   3.1169 0.1115923 4.058970 
1 1 1   25   15   17 o   10.992   2.6901   17.714   7.8777   10.195   9.5383   33.847   13.973   8.8770   3.1678   14.947   3.5357 -6.070189 4.747211 
1 1 1   25   15   18 o   13.169   2.2259   24.715   7.5924   26.379   9.7713   22.179   12.061   13.417   2.8018   12.143   3.5038 1.274454 4.486284 
1 1 1   25   15   19 o   13.522   2.2773   26.103   7.9773   26.021   10.095   26.240   13.018   13.283   2.9099   13.140   3.5878 0.1434736 4.619466 
1 1 1   25   15   20 o   18.486   1.6456   47.165   8.0849   46.494   10.123   48.346   13.435   18.197   2.1103   18.259   2.8311 -0.6217194E-01 3.531108 
1 1 1   25   15   21 o   8.4215   2.8913   9.5302   7.8958   7.2476   9.8702   13.587   13.159   8.2208   3.1664   10.160   3.7079 -1.939010 4.875926 
1 1 1   25   15   22 o   7.5270   2.8770   6.0860   8.1078   14.688   11.458  -2.5405   11.474   10.197   3.4834   6.9220   3.0769 3.274927 4.647717 
1 1 1   25   15   23 o   18.753   1.6967   48.714   8.4536   49.721   10.785   47.108   13.614   18.767   2.1802   17.923   2.9292 0.8441143 3.651524 
1 1 1   25   15   24 o   28.105   1.2574  107.533   9.4922   96.892   13.767  117.174   13.105   26.361   1.9584   29.139   1.6816 -2.777718 2.581316 
1 1 1   25   15   25 o   16.687   1.8887   39.059   8.3163   37.952   11.874   40.124   11.651   16.027   2.8635   16.563   2.7130 -0.5354786 3.944606 
1 1 1   25   15   26 o   5.2940   2.4019  -3.4895   7.4003   9.3167   10.137 -18.0998   10.828   8.6518   3.2370   5.0311   2.4547 3.620663 4.062421 
1 1 1   25   15   27 o   16.004   1.7812   35.947   7.5265   34.247   10.044   38.125   11.367   15.292   2.5340   16.049   2.7351 -0.7564087 3.728488 
1 1 1   25   15   28 o   6.2663   2.6070   2.1846   7.2528  -9.1083   9.5596   17.502   11.133   5.3676   2.5339   10.661   3.4266 -5.293399 4.261698 
1 1 1   25   15   29 o   8.4178   2.9600   9.9305   8.2989  -9.0234   11.560   30.085   11.921   6.0277   2.8270   13.834   3.2614 -7.806111 4.316115 
1 1 1   25   15   30 o   12.518   3.3899   25.233   11.679   52.961   26.334   18.445   13.030   16.417   5.2692   10.781   3.7135 5.635758 6.446292 
1 1 1   25   15   31 o   20.394   2.6516   62.412   14.181   57.890   32.657   63.463   15.743   16.075   5.8452   20.304   2.9749 -4.229237 6.558702 
1 1 1   25   15   32 o   21.256   2.6123   68.072   14.600   40.750   30.962   75.885   16.556   13.741   5.5101   22.248   2.8351 -8.507346 6.196680 
1 1 1   25   15   33 o   8.7257   3.7788   6.2749   16.320   0.0000   0.0000   6.2749   16.320  ?   ?    8.7257   3.7788 0.000000 3.778812 
1 1 1   25   15   34 o   6.5234   3.2481 -39.7300   22.552   0.0000   0.0000 -39.7300   22.552  ?   ?    6.5234   3.2481 0.000000 3.248112 
1 1 1   25   16  -29 o   20.909   4.5079   78.980   24.570   78.980   24.570   0.0000   0.0000   20.909   4.5079  ?   ?  0.000000 4.507854 
1 1 1   25   16  -28 o   8.0703   3.6283  -0.8798   16.444  -0.8798   16.444   0.0000   0.0000   8.0703   3.6283  ?   ?  0.000000 3.628279 
1 1 1   25   16  -27 o   23.121   3.3850   83.904   20.398   83.904   20.398   0.0000   0.0000   23.121   3.3850  ?   ?  0.000000 3.384998 
1 1 1   25   16  -26 o   8.1271   3.4080   4.8374   12.538   9.6882   17.096  -0.8088   18.444   9.6695   4.0110   8.6027   3.8570 1.066730 5.564539 
1 1 1   25   16  -25 o   14.088   2.8165   29.910   10.285   46.478   17.695   21.458   12.639   16.848   3.9748   11.638   3.6403 5.209975 5.389821 
1 1 1   25   16  -24 o   5.7071   2.6521  -7.0168   9.7982 -24.5429   17.275   1.2953   11.897   6.4623   3.1412   7.4947   3.2361 -1.032425 4.509868 
1 1 1   25   16  -23 o   8.5432   3.2142   8.9881   10.022 -12.5872   16.830   20.843   12.475   7.2554   3.4054   11.603   3.6146 -4.347471 4.966080 
1 1 1   25   16  -22 o   13.325   2.9039   26.589   10.100   10.857   18.645   33.122   12.015   10.326   4.2261   14.807   3.1196 -4.480291 5.252800 
1 1 1   25   16  -21 o   16.101   2.9829   38.539   12.425   55.990   38.091   36.461   13.144   17.205   6.3041   15.514   3.2580 1.690476 7.096262 
1 1 1   25   16  -20 o   12.543   2.3083   22.706   7.4900   25.855   9.5546   17.686   12.064   13.226   2.7780   10.920   3.5714 2.306195 4.524609 
1 1 1   25   16  -19 o   24.114   1.1693   78.982   7.5735   81.717   9.3187   73.662   12.998   24.421   1.4269   22.898   2.1382 1.522367 2.570572 
1 1 1   25   16  -18 o   14.872   2.0937   31.291   8.1318   31.097   9.5555   31.799   15.485   14.669   2.5159   14.266   3.9202 0.4025230 4.658103 
1 1 1   25   16  -17 o   15.449   1.6414   33.078   6.7063   32.374   8.4199   34.301   11.091   15.124   2.1319   15.313   2.7998 -0.1887264 3.519077 
1 1 1   25   16  -16 o   15.048   1.6296   31.376   6.4811   33.290   8.3818   28.530   10.221   15.361   2.0855   13.931   2.8281 1.429847 3.513871 
1 1 1   25   16  -15 o   11.029   2.2674   17.544   6.4923   12.529   8.1594   26.199   10.719   9.3406   2.9254   13.256   3.0707 -3.915604 4.241115 
1 1 1   25   16  -14 o   29.161   1.0068  115.083   7.8854  114.478   10.328  115.928   12.210   29.002   1.3258   29.069   1.5697 -0.6604004E-01 2.054697 
1 1 1   25   16  -13 o   15.431   1.8210   33.199   7.4019   41.181   10.256   24.522   10.693   17.038   2.3000   12.806   3.1343 4.232211 3.887679 
1 1 1   25   16  -12 o   29.660   1.1224  119.270   8.9417  131.493   13.387  109.425   12.015   30.946   1.6162   28.233   1.5909 2.713488 2.267857 
1 1 1   25   16  -11 o   25.895   1.1695   90.989   8.1345  100.716   11.686   81.847   11.330   27.074   1.6145   24.350   1.7439 2.723825 2.376443 
1 1 1   25   16  -10 o   10.587   2.6118   16.419   7.3810   8.5523   11.549   21.851   9.5966   8.8560   3.4212   12.131   2.9693 -3.275157 4.530033 
1 1 1   25   16   -9 o   5.2478   2.4237  -5.7341   7.9982   4.6964   14.915  -9.9441   9.4758   8.8976   3.7232   5.3202   2.5150 3.577462 4.493033 
1 1 1   25   16   -8 o   25.066   1.3861   85.838   9.2954   97.905   13.348   74.478   12.952   26.589   1.8812   23.080   2.1128 3.509058 2.828932 
1 1 1   25   16   -7 o   8.2368   2.8583   8.9618   7.7264   16.793   10.395  -0.7053   11.549   10.690   3.2944   7.2251   3.1534 3.465024 4.560397 
1 1 1   25   16   -6 f   29.365   1.2057  117.053   9.5094  113.864   12.487  121.458   14.672   28.795   1.6212   29.644   1.8520 -0.8491840 2.461361 
1 1 1   25   16   -5 o   16.559   2.0345   38.464   8.8582   36.399   11.061   42.157   14.791   15.856   2.6937   16.767   3.4005 -0.9114351 4.338134 
1 1 1   25   16   -4 o   24.994   1.6517   85.933   11.025   77.643   14.310   98.044   17.295   23.492   2.2974   26.329   2.4746 -2.837910 3.376618 
1 1 1   25   16   -3 o   5.3612   2.4002  -2.6003   7.1155 -24.1291   10.423   16.187   9.7372   4.5092   2.2390   10.504   3.1791 -5.994828 3.888427 
1 1 1   25   16   -2 o   16.780   1.7881   39.105   7.9347   59.212   12.861   26.747   10.083   20.453   2.3859   13.484   2.8719 6.969247 3.733698 
1 1 1   25   16   -1 o   6.2070   2.5730   1.8647   7.0282   2.6089   10.840   1.3250   9.2314   7.5592   3.1693   6.8462   2.9003 0.7130675 4.296108 
1 1 1   25   16    0 o   7.1814   2.7432   5.4175   7.3684   3.2148   10.440   7.6036   10.401   7.5572   3.1346   8.4277   3.2492 -0.8704891 4.514737 
1 1 1   25   16    1 o   23.903   1.2377   77.793   7.9186   76.291   11.850   79.005   10.644   23.455   1.8972   23.958   1.6645 -0.5021992 2.523853 
1 1 1   25   16    2 o   15.244   1.7866   32.344   7.1764   43.946   10.801   23.174   9.6023   17.602   2.3427   12.522   2.9103 5.079839 3.736048 
1 1 1   25   16    3 o   20.497   1.4612   57.585   7.9915   67.401   12.720   51.183   10.272   21.921   2.1898   19.137   2.0294 2.784628 2.985535 
1 1 1   25   16    4 o   5.7959   2.4874   0.0960   6.9475   9.5962   10.451  -7.4277   9.3001   8.8817   3.2937   5.5454   2.5792 3.336313 4.183427 
1 1 1   25   16    5 o   29.672   1.1650  119.426   9.2843  111.902   14.823  124.284   11.910   28.404   1.9548   30.180   1.4693 -1.776045 2.445390 
1 1 1   25   16    6 f   12.000   2.5008   20.909   7.7989   17.705   12.397   23.008   10.033   11.025   3.6210   12.438   3.0309 -1.413305 4.722118 
1 1 1   25   16    7 o   8.2037   2.7617   9.1279   7.2011  -9.8458   10.222   27.825   10.147   5.6088   2.6393   13.766   2.8385 -8.157476 3.875985 
1 1 1   25   16    8 o   14.995   2.0825   31.706   8.1611   29.441   11.307   34.170   11.791   14.077   3.0763   15.228   2.9896 -1.150655 4.289737 
1 1 1   25   16    9 o   13.980   2.5371   28.244   9.1755   38.607   13.658   19.720   12.387   16.079   3.2738   11.508   3.6045 4.571149 4.869290 
1 1 1   25   16   10 o   26.118   1.4682   93.379   10.258  105.878   15.426   83.471   13.734   27.551   2.1005   24.440   2.1130 3.110727 2.979407 
1 1 1   25   16   11 o   14.831   2.5143   31.679   9.6578   32.725   11.040   28.265   19.936   14.945   2.8544   13.535   4.5949 1.410063 5.409285 
1 1 1   25   16   12 o   12.461   2.6928   22.744   8.7495   17.752   10.093   37.845   17.553   10.940   3.2192   15.524   4.1355 -4.583681 5.240753 
1 1 1   25   16   13 o   13.946   2.2087   27.670   7.9978   28.378   9.7481   26.213   13.989   13.951   2.6991   13.079   3.7734 0.8722544 4.639374 
1 1 1   25   16   14 o   26.329   1.3434   94.614   9.4687   84.650   12.748  106.877   14.142   24.685   1.9383   27.767   1.9078 -3.081945 2.719660 
1 1 1   25   16   15 o   9.6762   2.8992   13.628   8.1281   16.916   9.9846   7.1692   13.995   10.699   3.2150   9.0863   3.6830 1.612879 4.888825 
1 1 1   25   16   16 o   14.475   2.1629   29.726   8.1512   32.362   9.7769   23.718   14.762   14.983   2.5189   12.477   3.9388 2.506048 4.675376 
1 1 1   25   16   17 o   16.785   1.8065   39.224   8.0160   50.667   10.475   23.056   12.452   18.996   2.0875   12.313   3.5622 6.683099 4.128839 
1 1 1   25   16   18 o   30.726   1.0943  128.016   9.0309  140.218   11.964  111.858   13.768   32.062   1.3893   28.431   1.8124 3.631647 2.283678 
1 1 1   25   16   19 o   13.608   2.1591   26.389   7.6277   23.326   10.092   30.470   11.649   12.475   3.0398   14.253   3.1286 -1.778287 4.362181 
1 1 1   25   16   20 o   23.779   1.3100   77.292   8.3349   76.765   11.321   77.915   12.317   23.515   1.8062   23.624   1.9588 -0.1093445 2.664467 
1 1 1   25   16   21 o   33.872   1.1142  155.809   10.136  147.757   14.530  163.443   14.147   32.726   1.6585   34.524   1.5257 -1.798206 2.253493 
1 1 1   25   16   22 o   14.286   2.1027   29.084   7.8267   33.130   10.636   24.305   11.559   14.989   2.7431   12.565   3.3598 2.423061 4.337371 
1 1 1   25   16   23 o   4.4560   2.1605 -12.4819   8.0370 -12.5148   11.504 -12.4506   11.233   5.7269   2.7258   5.6430   2.6879 0.8388853E-01 3.828142 
1 1 1   25   16   24 o   21.696   1.6049   65.300   9.2863   81.410   13.751   51.793   12.591   23.940   2.1618   18.851   2.5524 5.089275 3.344886 
1 1 1   25   16   25 o   5.3122   2.3943  -2.7232   7.2144 -13.9930   9.2618   14.665   11.504   4.7770   2.3169   9.9737   3.4863 -5.196662 4.185938 
1 1 1   25   16   26 o   7.0053   2.8514   4.0846   8.4295   12.467   12.217  -3.5326   11.646   9.4965   3.5534   6.6852   3.0250 2.811305 4.666574 
1 1 1   25   16   27 o   10.960   3.2702   19.025   10.358   22.154   17.896   17.449   12.701   11.648   4.3121   10.555   3.6646 1.093305 5.658906 
1 1 1   25   16   28 o   21.209   2.0305   64.559   11.426   77.198   19.472   57.922   14.110   22.038   3.3990   19.567   2.7615 2.470745 4.379375 
1 1 1   25   16   29 o   6.5119   3.0479  -8.3030   13.321  -6.8580   28.029  -8.7246   15.140   9.3344   4.3855   6.9325   3.2462 2.401911 5.456224 
1 1 1   25   16   30 o   8.8518   3.7455   8.0127   15.366   32.010   26.142  -4.6553   18.993   12.646   5.0658   8.0385   3.7204 4.607176 6.285228 
1 1 1   25   16   31 o   11.466   4.0627   23.757   15.663  -4.4820   28.366   36.143   18.786   9.2643   4.3709   13.613   4.4569 -4.348307 6.242464 
1 1 1   25   17  -27 o   7.9124   3.5543   0.2070   15.743   0.2070   15.743   0.0000   0.0000   7.9124   3.5543  ?   ?  0.000000 3.554315 
1 1 1   25   17  -26 o   6.1684   3.0199 -24.5753   16.810 -24.5753   16.810   0.0000   0.0000   6.1684   3.0199  ?   ?  0.000000 3.019949 
1 1 1   25   17  -25 o   11.070   3.6370   20.087   12.506   14.585   16.978   26.614   18.492   10.195   4.0831   12.292   4.4082 -2.097030 6.008639 
1 1 1   25   17  -24 o   10.535   3.6613   17.477   12.680   10.915   16.652   26.532   19.561   9.6793   3.9813   12.386   4.5208 -2.707078 6.023989 
1 1 1   25   17  -23 o   22.715   2.2472   74.435   13.531   65.229   17.792   87.062   20.837   20.426   3.3598   23.624   3.3803 -3.197859 4.766026 
1 1 1   25   17  -22 o   22.379   1.8786   70.582   11.188   94.099   19.600   59.217   13.625   25.035   2.9730   20.070   2.5879 4.965265 3.941574 
1 1 1   25   17  -21 o   35.087   1.3478  168.765   12.701  142.583   21.148  183.539   15.886   31.376   2.5309   36.424   1.6238 -5.047747 3.007030 
1 1 1   25   17  -20 o   9.8074   3.4184   13.895   11.057   24.140   29.579   12.231   11.922   12.914   5.3084   9.5194   3.5203 3.394454 6.369601 
1 1 1   25   17  -19 o   21.543   1.5933   64.258   9.1537   47.231   12.704   82.643   13.201   17.931   2.7234   24.219   2.0486 -6.287199 3.407867 
1 1 1   25   17  -18 o   20.176   1.5013   56.156   8.0778   56.518   10.102   55.513   13.453   20.087   1.8948   19.545   2.6292 0.5413036 3.240836 
1 1 1   25   17  -17 o   22.961   1.2405   72.022   7.6219   71.654   10.386   72.452   11.221   22.729   1.7139   22.798   1.8484 -0.6856728E-01 2.520676 
1 1 1   25   17  -16 o   15.420   1.7591   33.211   7.1553   39.927   8.9119   21.029   12.003   16.831   2.0112   11.726   3.5254 5.104960 4.058731 
1 1 1   25   17  -15 o   14.349   1.7966   28.835   6.7723   27.751   8.7469   30.457   10.701   13.842   2.4419   14.332   2.8797 -0.4903679 3.775655 
1 1 1   25   17  -14 o   17.309   1.6436   41.513   7.5497   46.063   10.569   36.771   10.789   18.020   2.2313   15.914   2.6148 2.105598 3.437479 
1 1 1   25   17  -13 o   20.632   1.4267   58.408   7.8573   58.288   10.889   58.539   11.349   20.399   2.0137   20.406   2.1006 -0.7736206E-02 2.909929 
1 1 1   25   17  -12 o   7.8193   2.7597   7.9261   7.2202   10.156   10.136   5.6284   10.288   8.9169   3.2542   7.9470   3.1799 0.9698744 4.549946 
1 1 1   25   17  -11 o   19.539   1.4595   52.440   7.6044   52.102   10.741   52.780   10.768   19.245   2.1126   19.375   2.1029 -0.1300220 2.980827 
1 1 1   25   17  -10 o   10.623   2.7406   16.665   7.8715   1.6007   13.196   24.987   9.8076   7.9942   3.4294   12.982   2.8874 -4.987552 4.483067 
1 1 1   25   17   -9 o   15.945   1.8414   35.498   7.7410   42.553   12.559   31.177   9.8301   17.070   2.8391   14.660   2.5913 2.409586 3.843842 
1 1 1   25   17   -8 o   16.245   2.0538   37.155   8.7611   37.321   12.806   37.008   12.012   15.837   3.1216   15.858   2.9281 -0.2021503E-01 4.279962 
1 1 1   25   17   -7 o   5.0463   2.3248  -5.0013   7.2910   3.0826   11.673 -10.1720   9.3360   7.8399   3.2881   5.2338   2.4807 2.606139 4.118876 
1 1 1   25   17   -6 f   19.554   1.5258   52.601   7.9498   45.959   12.419   57.212   10.348   17.834   2.6752   20.259   1.9248 -2.425465 3.295701 
1 1 1   25   17   -5 o   25.863   1.1823   90.831   8.2129   92.257   12.294   89.681   11.037   25.827   1.7832   25.528   1.6180 0.2993126 2.407867 
1 1 1   25   17   -4 o   14.460   2.0902   29.587   7.8823   27.003   11.219   32.107   11.077   13.411   3.1653   14.761   2.8975 -1.349549 4.291235 
1 1 1   25   17   -3 o   9.7119   2.8352   13.803   7.8562   20.441   11.120   7.1887   11.100   11.652   3.3651   8.4644   3.3298 3.187538 4.734055 
1 1 1   25   17   -2 o   13.392   2.4347   25.895   8.4350   20.151   11.460   32.687   12.461   11.573   3.4368   14.754   3.2337 -3.180535 4.718937 
1 1 1   25   17   -1 o   15.124   2.0321   32.233   8.0461   44.721   11.358   19.652   11.400   17.684   2.4576   11.443   3.4347 6.241282 4.223361 
1 1 1   25   17    0 f   23.134   1.2856   73.034   7.9568   73.903   11.986   72.349   10.639   23.035   1.9559   22.873   1.7449 0.1618137 2.621098 
1 1 1   25   17    1 o   15.652   1.9125   34.313   7.8731   22.041   12.549   42.278   10.110   12.054   3.6003   17.278   2.2307 -5.224136 4.235313 
1 1 1   25   17    2 o   19.192   1.5298   50.688   7.8203   42.537   11.620   57.437   10.573   17.179   2.5994   20.285   1.9653 -3.105116 3.258773 
1 1 1   25   17    3 o   34.583   1.0335  161.980   9.5993  153.130   14.022  169.787   13.169   33.444   1.5610   35.286   1.3895 -1.841949 2.089831 
1 1 1   25   17    4 o   37.304   0.9760  188.305   9.7795  184.110   14.387  191.907   13.333   36.716   1.4589   37.541   1.3223 -0.8253708 1.969036 
1 1 1   25   17    5 o   18.200   1.6075   45.731   7.7773   47.802   11.473   43.970   10.579   18.322   2.3883   17.601   2.2922 0.7210178 3.310258 
1 1 1   25   17    6 f   19.934   1.5892   54.766   8.4381   59.683   13.548   51.649   10.785   20.438   2.5214   19.161   2.1318 1.277151 3.301841 
1 1 1   25   17    7 o   17.040   1.7533   40.341   7.9100   34.626   11.539   45.407   10.864   15.336   2.9077   17.878   2.3170 -2.541866 3.717920 
1 1 1   25   17    8 o   11.356   2.5228   18.846   7.4950   15.190   10.701   22.368   10.501   10.252   3.3641   12.197   3.1748 -1.945148 4.625579 
1 1 1   25   17    9 o   17.896   1.8340   44.595   8.6906   30.615   12.176   59.111   12.408   14.255   3.2521   20.436   2.3005 -6.180986 3.983496 
1 1 1   25   17   10 o   18.672   2.0026   48.841   9.8864   50.975   14.235   46.853   13.741   18.661   2.9373   17.861   2.9685 0.7996445 4.176101 
1 1 1   25   17   11 o   30.262   1.2515  124.566   10.173  142.446   16.435  113.461   12.952   32.036   1.9188   28.687   1.6884 3.349121 2.555908 
1 1 1   25   17   12 o   28.527   1.2701  110.756   9.7316  108.851   13.063  113.133   14.588   28.068   1.7413   28.534   1.9145 -0.4661770 2.587989 
1 1 1   25   17   13 o   21.595   1.6180   64.343   9.3167   58.208   13.454   69.996   12.914   20.145   2.5432   22.292   2.1850 -2.147350 3.352921 
1 1 1   25   17   14 o   23.312   1.3306   74.324   8.2967   76.732   11.051   71.214   12.560   23.531   1.7613   22.518   2.1010 1.013083 2.741572 
1 1 1   25   17   15 o   8.9134   2.7650   11.470   7.3088   13.310   9.7896   9.1529   10.986   9.6470   3.2201   8.8134   3.3536 0.8335199 4.649308 
1 1 1   25   17   16 o   27.172   1.2119  100.471   8.8449  102.085   11.584   98.215   13.697   27.217   1.5916   26.533   1.9353 0.6835690 2.505670 
1 1 1   25   17   17 o   22.836   1.5131   71.823   9.2278   70.447   12.811   73.307   13.303   22.329   2.1633   22.760   2.2037 -0.4314175 3.088067 
1 1 1   25   17   18 o   18.760   1.6861   48.927   8.4052   51.828   11.603   45.725   12.192   19.036   2.3172   17.705   2.6450 1.330881 3.516411 
1 1 1   25   17   19 o   11.005   2.8522   18.246   8.4999   16.173   12.450   20.056   11.633   10.484   3.6289   11.404   3.4800 -0.9199152 5.027846 
1 1 1   25   17   20 o   8.1805   2.9095   8.9654   8.0401   12.760   9.9867   1.9750   13.555   9.4286   3.2509   8.0100   3.4564 1.418612 4.744951 
1 1 1   25   17   21 o   16.759   1.8251   39.555   8.0825   33.375   10.697   47.778   12.339   14.941   2.7675   18.022   2.6262 -3.081882 3.815258 
1 1 1   25   17   22 o   37.599   1.1668  193.007   11.784  176.011   17.317  207.664   16.081   35.447   1.8250   38.762   1.5446 -3.315365 2.390903 
1 1 1   25   17   23 o   25.985   1.4260   93.345   9.9144   86.265   14.216  100.050   13.834   24.513   2.1820   26.579   1.9514 -2.066008 2.927337 
1 1 1   25   17   24 o   6.1728   2.7312  -1.0049   8.9390  -3.3179   13.076   1.0248   12.248   7.0545   3.1975   7.4140   3.2413 -0.3595319 4.553034 
1 1 1   25   17   25 o   23.228   1.8931   76.787   11.708  104.951   19.933   61.952   14.466   26.272   2.8715   20.252   2.7290 6.020113 3.961437 
1 1 1   25   17   26 o   10.769   3.2789   18.828   10.335   22.034   17.542   17.123   12.791   11.361   4.2565   10.315   3.6697 1.045969 5.620039 
1 1 1   25   17   27 o   7.5800   3.2949   2.7369   12.500   16.350   28.021  -0.6451   13.967   10.983   4.8486   7.4497   3.3471 3.533136 5.891686 
1 1 1   25   17   28 f   11.035   4.4131   21.426   19.802   62.330   28.163 -18.5700   27.848   16.503   5.4596   8.3900   4.0567 8.112677 6.801786 
1 1 1   25   17   29 o   9.0127   4.0363   5.8419   20.139   30.170   27.563 -22.0200   29.497   11.955   5.0353   8.3247   4.0594 3.630774 6.467785 
1 1 1   25   17   30 o   10.712   4.7907   19.550   28.269   0.0000   0.0000   19.550   28.269  ?   ?    10.712   4.7907 0.000000 4.790719 
1 1 1   25   18  -26 o   10.124   4.3774   15.190   21.831   15.190   21.831   0.0000   0.0000   10.124   4.3774  ?   ?  0.000000 4.377412 
1 1 1   25   18  -25 o   17.171   4.0751   53.510   18.512   53.510   18.512   0.0000   0.0000   17.171   4.0751  ?   ?  0.000000 4.075136 
1 1 1   25   18  -24 o   16.506   3.8844   47.719   16.934   47.719   16.934   0.0000   0.0000   16.506   3.8844  ?   ?  0.000000 3.884422 
1 1 1   25   18  -23 o   14.143   3.2791   32.652   12.214   23.117   16.818   43.291   17.766   11.482   4.1917   15.497   4.1746 -4.014243 5.915912 
1 1 1   25   18  -22 o   15.073   3.4067   37.101   13.468   45.400   18.081   26.759   20.184   16.015   4.1645   12.191   4.5662 3.824135 6.180056 
1 1 1   25   18  -21 f   25.177   2.0696   91.056   13.871   82.960   18.814  100.698   20.532   23.125   3.1077   25.557   3.0515 -2.431923 4.355412 
1 1 1   25   18  -20 o   22.557   2.3382   74.170   13.961   74.966   19.016   73.240   20.562   21.832   3.3498   21.202   3.7478 0.6300926 5.026650 
1 1 1   25   18  -19 f   9.2193   3.8204   8.5729   15.488   2.2510   26.648   11.798   19.032   10.122   4.5783   10.165   4.2256 -0.4344559E-01 6.230290 
1 1 1   25   18  -18 o   14.468   2.9747   32.061   11.174 -12.5400   23.329   45.339   12.729   8.5145   4.0005   17.369   2.8256 -8.854681 4.897808 
1 1 1   25   18  -17 o   6.4018   2.7190   1.4525   8.1471   13.580   10.840 -14.2924   12.351   9.6537   3.3835   5.7987   2.7774 3.854958 4.377495 
1 1 1   25   18  -16 o   15.949   2.1309   36.433   8.8998   37.445   12.598   35.424   12.575   15.662   3.1044   15.176   3.1864 0.4862843 4.448673 
1 1 1   25   18  -15 o   19.868   1.8382   55.362   9.6983   54.136   13.276   56.765   14.202   19.228   2.6403   19.615   2.7729 -0.3873825 3.828867 
1 1 1   25   18  -14 o   15.563   2.1066   34.551   8.5792   34.321   12.868   34.736   11.511   14.927   3.2976   15.220   2.9221 -0.2929945 4.405994 
1 1 1   25   18  -13 o   19.564   1.7765   53.431   9.2335   74.793   15.554   41.806   11.474   22.722   2.5951   16.915   2.6094 5.806826 3.680179 
1 1 1   25   18  -12 o   7.5504   2.9252   6.0757   8.4620   18.459   15.982   1.2518   9.9750   11.249   4.0893   6.9875   2.9892 4.261921 5.065304 
1 1 1   25   18  -11 o   18.283   1.5957   46.310   7.7577   40.009   11.106   52.314   10.841   16.581   2.5775   19.218   2.1363 -2.636272 3.347722 
1 1 1   25   18  -10 o   17.697   1.7645   43.679   8.2754   44.133   12.197   43.292   11.265   17.379   2.7008   17.309   2.4951 0.6970215E-01 3.676907 
1 1 1   25   18   -9 o   25.815   1.2269   90.742   8.5067   87.467   12.156   93.885   11.908   25.081   1.8169   26.038   1.7123 -0.9569931 2.496581 
1 1 1   25   18   -8 o   29.582   1.1202  118.866   8.9002  115.133   13.209  121.969   12.045   28.850   1.7123   29.792   1.5102 -0.9426231 2.283140 
1 1 1   25   18   -7 o   19.297   1.6199   51.524   8.3184   42.798   13.234   57.223   10.695   16.974   3.0131   20.194   1.9981 -3.219751 3.615440 
1 1 1   25   18   -6 o   23.616   1.3719   76.403   8.6644   77.477   13.773   75.699   11.146   23.420   2.2158   23.347   1.7912 0.7332802E-01 2.849260 
1 1 1   25   18   -5 o   8.5928   2.8601   10.326   7.7247   9.2707   12.211   11.030   9.9738   9.0570   3.5126   9.0796   3.2394 -0.2258873E-01 4.778242 
1 1 1   25   18   -4 o   9.1295   2.7668   12.131   7.3717  -6.2268   10.853   27.854   10.044   6.2135   2.8528   13.715   2.8207 -7.501768 4.011874 
1 1 1   25   18   -3 o   14.517   2.1391   29.984   8.0908   31.482   11.427   28.479   11.457   14.512   3.0297   13.728   3.1711 0.7831631 4.385721 
1 1 1   25   18   -2 o   10.490   2.7864   16.338   7.9833   23.048   11.227   9.4737   11.355   12.299   3.3207   8.9502   3.4085 3.348998 4.758717 
1 1 1   25   18   -1 o   15.380   1.9137   33.233   7.7343   41.292   11.716   27.008   10.297   16.845   2.6791   13.459   2.9314 3.385924 3.971235 
1 1 1   25   18    0 o   8.9120   2.8431   11.374   7.6758   6.9516   12.451   14.084   9.7484   8.6698   3.4880   9.8548   3.2098 -1.184930 4.740139 
1 1 1   25   18    1 o   16.300   1.8142   37.115   7.8077   51.994   11.854   25.715   10.376   19.093   2.3619   13.096   3.0127 5.997029 3.828151 
1 1 1   25   18    2 o   6.6467   2.6951   3.2388   7.4972   13.180   11.061  -5.2090   10.197   9.7442   3.4178   6.1199   2.7930 3.624263 4.413880 
1 1 1   25   18    3 o   19.826   1.5223   54.157   8.0447   53.074   11.952   55.055   10.878   19.294   2.3553   19.779   2.0786 -0.4853859 3.141368 
1 1 1   25   18    4 o   38.081   0.9764  196.387   9.9864  194.425   14.758  198.044   13.564   37.698   1.4575   38.108   1.3252 -0.4100761 1.969882 
1 1 1   25   18    5 o   19.808   1.5370   54.099   8.1135   59.027   11.972   49.913   11.033   20.420   2.2186   18.754   2.2344 1.666368 3.148772 
1 1 1   25   18    6 o   26.480   1.2324   95.442   8.7648   91.235   12.901   99.049   11.945   25.596   1.8898   26.778   1.6691 -1.182314 2.521383 
1 1 1   25   18    7 o   9.3796   2.9468   12.800   8.2720   21.717   13.210   7.0492   10.609   11.896   3.7217   8.2827   3.2563 3.613387 4.945169 
1 1 1   25   18    8 o   12.657   2.6040   23.554   8.5571   21.973   11.174   25.796   13.306   11.990   3.3437   12.875   3.6696 -0.8844566 4.964509 
1 1 1   25   18    9 o   9.9763   2.7955   14.777   7.7905   10.640   11.281   18.548   10.771   9.1646   3.4175   11.070   3.3421 -1.905520 4.780072 
1 1 1   25   18   10 o   26.615   1.2465   96.521   8.9108  103.810   13.096   90.236   12.160   27.338   1.7934   25.484   1.7878 1.854776 2.532337 
1 1 1   25   18   11 o   9.1925   3.0589   12.089   8.8359   9.9916   15.825   13.040   10.651   9.7556   3.9296   9.6216   3.3549 0.1339712 5.166977 
1 1 1   25   18   12 o   14.732   2.0764   30.890   7.9880   31.777   11.187   29.966   11.409   14.554   2.9627   14.056   3.1049 0.4971733 4.291596 
1 1 1   25   18   13 o   22.138   1.6732   68.029   9.8757   60.096   13.014   78.797   15.163   20.443   2.4170   23.421   2.4465 -2.978107 3.439121 
1 1 1   25   18   14 o   9.1944   2.8830   12.427   7.9219   5.7522   11.038   19.519   11.377   8.0586   3.2692   11.253   3.4429 -3.194367 4.747818 
1 1 1   25   18   15 o   8.1078   2.7985   9.0501   7.4017   4.3603   9.7699   15.368   11.340   7.4707   3.0585   10.181   3.4654 -2.710768 4.622101 
1 1 1   25   18   16 o   7.9723   2.8663   8.4042   7.8233   12.700   10.418   2.8485   11.847   9.4280   3.3163   7.7061   3.2761 1.721896 4.661630 
1 1 1   25   18   17 o   25.570   1.4954   90.409   10.225   84.446   15.486   95.018   13.615   24.157   2.4192   25.947   1.9683 -1.789108 3.118800 
1 1 1   25   18   18 o   23.921   1.5048   79.304   9.6188   81.432   12.703   76.446   14.726   23.967   1.9914   22.928   2.4281 1.038177 3.140325 
1 1 1   25   18   19 f   14.054   2.2364   28.830   8.1594   18.074   11.323   40.450   11.769   10.709   3.4570   16.379   2.7741 -5.670599 4.432429 
1 1 1   25   18   20 o   13.358   2.6307   26.973   9.1027   28.677   13.987   25.721   11.989   13.105   3.7708   12.591   3.4452 0.5139179 5.107687 
1 1 1   25   18   21 f   20.220   2.1968   59.392   11.739   69.170   26.029   56.895   13.152   19.019   5.0214   19.525   2.5705 -0.5054169 5.641046 
1 1 1   25   18   22 o   17.684   2.7671   47.794   12.712   29.040   21.458   57.935   15.779   12.535   4.7056   19.149   3.1794 -6.614130 5.679026 
1 1 1   25   18   23 o   8.3105   3.3290   8.3257   11.288   21.869   17.447  -1.4256   14.805   11.256   4.2396   7.5610   3.4169 3.694942 5.445165 
1 1 1   25   18   24 o   25.882   2.5679  101.289   17.616  116.653   20.731   61.380   33.412   27.437   2.8550   15.619   5.8701 11.81798 6.527563 
1 1 1   25   18   25 o   7.0627   3.2701  -4.9250   14.694   11.400   27.373 -11.5340   17.417   10.273   4.6439   7.0685   3.3613 3.204298 5.732750 
1 1 1   25   18   26 o   11.830   4.9478   29.480   26.323   29.480   26.323   0.0000   0.0000   11.830   4.9478  ?   ?  0.000000 4.947809 
1 1 1   25   18   27 o   7.0295   3.3913 -15.2899   19.193   9.7180   25.732 -46.6500   28.815   9.7161   4.4353   7.1465   3.5757 2.569652 5.697178 
1 1 1   25   18   28 o   15.341   4.4478   48.778   19.394   48.580   25.681   49.040   29.587   13.873   5.1596   13.361   5.3763 0.5116310 7.451566 
1 1 1   25   19  -25 o   14.531   5.1285   53.030   24.934   53.030   24.934   0.0000   0.0000   14.531   5.1285  ?   ?  0.000000 5.128499 
1 1 1   25   19  -24 o   7.2213   3.3513  -3.4991   15.565  -3.4991   15.565   0.0000   0.0000   7.2213   3.3513  ?   ?  0.000000 3.351302 
1 1 1   25   19  -23 o   13.697   4.3426   37.726   17.929   37.726   17.929   0.0000   0.0000   13.697   4.3426  ?   ?  0.000000 4.342649 
1 1 1   25   19  -22 o   10.411   3.8296   18.985   14.076   43.082   17.478 -25.4800   23.743   15.073   4.1743   7.3177   3.5840 7.755579 5.501779 
1 1 1   25   19  -21 o   8.9629   3.4832   11.795   12.027  -4.6716   16.525   30.343   17.538   7.4655   3.4605   12.562   4.3094 -5.096387 5.526861 
1 1 1   25   19  -20 o   7.6040   3.2765   3.6510   12.145   1.0640   16.185   6.9856   18.375   8.0430   3.6090   9.0598   3.9652 -1.016816 5.361730 
1 1 1   25   19  -19 o   4.9016   2.4233 -22.4071   11.725 -27.9189   15.559 -15.1632   17.837   5.6402   2.7891   6.9723   3.3391 -1.332108 4.350677 
1 1 1   25   19  -18 o   31.603   2.2889  146.248   19.297  138.900   32.295  150.328   24.066   27.869   4.4651   31.286   2.8968 -3.416481 5.322495 
1 1 1   25   19  -17 o   10.222   4.4141   11.363   22.140  -6.3600   27.587   43.440   37.113   9.3456   4.3780   13.977   5.8624 -4.631693 7.316738 
1 1 1   25   19  -16 o   21.219   2.9496   69.049   16.356   68.640   26.040   69.316   21.019   18.934   5.0337   20.259   4.0047 -1.325270 6.432430 
1 1 1   25   19  -15 o   14.329   3.8680   34.634   15.234   41.910   23.916   29.666   19.761   14.757   5.0326   12.909   4.5646 1.847640 6.794270 
1 1 1   25   19  -14 o   22.363   1.9344   71.016   11.505   82.485   13.984   46.990   20.239   23.927   2.2006   16.269   4.4864 7.657408 4.997044 
1 1 1   25   19  -13 o   9.2736   3.2303   12.611   9.8730  -5.3826   16.509   22.629   12.318   7.7050   3.5306   11.844   3.5738 -4.138719 5.023598 
1 1 1   25   19  -12 o   19.945   1.5841   55.414   8.4166   47.224   13.217   61.001   10.916   17.697   2.8796   20.726   1.9851 -3.029266 3.497532 
1 1 1   25   19  -11 o   20.796   1.5527   60.077   8.6102   75.237   13.333   49.232   11.277   22.925   2.1920   18.434   2.3296 4.491226 3.198756 
1 1 1   25   19  -10 o   22.555   1.4881   70.379   8.9646   74.317   14.019   67.655   11.660   22.714   2.3310   21.853   2.0090 0.8602848 3.077289 
1 1 1   25   19   -9 o   27.615   1.2696  104.303   9.4169  124.960   15.208   91.457   11.993   29.834   1.9078   25.594   1.7551 4.240166 2.592339 
1 1 1   25   19   -8 o   21.311   1.5424   62.915   8.7690   58.588   13.985   65.719   11.257   19.968   2.6747   21.583   1.9633 -1.614437 3.317975 
1 1 1   25   19   -7 o   11.359   2.6753   19.350   8.0274   24.367   12.396   15.727   10.534   12.424   3.5422   10.220   3.3371 2.203957 4.866512 
1 1 1   25   19   -6 o   9.6087   3.0448   13.729   8.8145   26.933   16.107   8.0849   10.531   12.877   4.1197   8.4056   3.2614 4.471300 5.254398 
1 1 1   25   19   -5 o   16.052   2.0017   36.561   8.4425   25.639   13.144   44.232   11.015   12.719   3.6541   17.481   2.4101 -4.762084 4.377364 
1 1 1   25   19   -4 o   8.8351   3.1195   10.760   9.2265   3.1118   15.203   15.219   11.609   8.5459   3.6740   10.177   3.5052 -1.631462 5.077820 
1 1 1   25   19   -3 o   31.428   1.1795  134.589   9.9568  130.182   16.422  137.150   12.521   30.430   2.0207   31.598   1.4753 -1.167507 2.501961 
1 1 1   25   19   -2 o   10.660   2.9206   17.178   8.6091   5.0107   15.689   22.420   10.298   8.9184   3.7798   12.089   3.1425 -3.170755 4.915477 
1 1 1   25   19   -1 o   12.662   2.6641   23.840   8.7733   35.470   13.468   15.268   11.563   15.126   3.3981   10.196   3.4990 4.930025 4.877536 
1 1 1   25   19    0 o   12.261   2.4960   22.150   7.9405   27.223   11.795   17.946   10.738   13.256   3.3200   10.843   3.3495 2.413298 4.716103 
1 1 1   25   19    1 o   13.833   2.2164   27.572   7.9570   29.717   12.197   25.984   10.498   13.858   3.3205   13.064   3.0478 0.7941113 4.507187 
1 1 1   25   19    2 o   12.998   2.4124   24.701   8.1119   42.273   12.744   12.733   10.518   16.823   2.9268   9.4887   3.3325 7.334229 4.435235 
1 1 1   25   19    3 o   4.0344   1.9830 -14.5381   7.4751 -18.3577   11.205 -11.4749   10.034   5.1283   2.5010   5.3137   2.5337 -0.1854172 3.560091 
1 1 1   25   19    4 o   16.425   1.9285   38.102   8.3457   62.907   13.087   21.100   10.835   20.920   2.3710   11.680   3.3051 9.239544 4.067540 
1 1 1   25   19    5 o   8.8135   2.9241   11.157   8.0768   5.2381   12.871   15.003   10.374   8.3605   3.4751   10.040   3.3131 -1.679553 4.801353 
1 1 1   25   19    6 o   12.814   2.8293   24.734   9.4773   27.331   13.380   22.120   13.426   13.108   3.6601   11.849   3.7581 1.258531 5.245933 
1 1 1   25   19    7 o   20.017   1.9760   56.584   10.485   39.372   17.122   66.910   13.262   15.483   4.0653   21.587   2.3239 -6.103465 4.682690 
1 1 1   25   19    8 o   13.922   2.5565   28.626   9.2072   11.045   16.232   36.966   11.180   9.8626   3.9773   15.767   2.7393 -5.904714 4.829353 
1 1 1   25   19    9 o   9.3347   3.0275   12.896   8.6766   20.102   14.217   8.6195   10.953   11.350   3.8801   8.5675   3.3255 2.782298 5.110236 
1 1 1   25   19   10 o   6.4256   2.7743   0.5326   8.7433 -27.5741   12.538   27.139   12.199   4.9342   2.4510   13.097   3.4278 -8.162930 4.213976 
1 1 1   25   19   11 o   15.312   2.4256   34.361   9.6431   28.961   17.395   36.756   11.586   13.117   4.2884   15.602   2.8708 -2.484449 5.160565 
1 1 1   25   19   12 o   16.177   2.2925   38.034   9.6825   44.932   17.708   35.092   11.564   16.413   4.0434   15.171   2.9443 1.241743 5.001737 
1 1 1   25   19   13 o   15.848   2.1523   36.284   8.9247   25.644   13.304   44.990   12.034   12.523   3.6991   17.373   2.6640 -4.850037 4.558567 
1 1 1   25   19   14 o   18.522   1.8931   48.738   9.2859   54.627   14.090   44.217   12.346   19.008   2.8475   17.116   2.7811 1.892490 3.980301 
1 1 1   25   19   15 o   32.748   1.2331  147.141   10.847  140.166   17.226  151.722   13.962   31.321   2.0592   33.036   1.5735 -1.714846 2.591567 
1 1 1   25   19   16 o   20.088   1.8206   57.254   9.7160   54.632   14.243   59.536   13.288   18.884   2.9009   20.012   2.5286 -1.127922 3.848292 
1 1 1   25   19   17 o   6.7646   2.9022   1.8520   9.4524   11.040   11.259 -20.0833   17.397   8.9209   3.3949   6.6052   3.1968 2.315769 4.663148 
1 1 1   25   19   18 o   11.620   3.4059   22.349   11.317   29.006   14.499   11.973   18.102   12.910   3.8731   9.8041   4.1021 3.105674 5.641616 
1 1 1   25   19   19 o   7.2146   3.1285   2.1970   11.215   4.2655   15.051  -0.3856   16.818   8.2841   3.6082   8.0534   3.6404 0.2306528 5.125559 
1 1 1   25   19   20 o   8.8408   3.6289   9.7090   13.798  -3.3915   17.411   31.830   22.624   7.8085   3.5955   12.587   4.8071 -4.778659 6.002995 
1 1 1   25   19   21 o   15.495   3.3465   40.089   13.520   28.673   18.310   53.777   20.050   12.183   4.3845   16.797   4.3938 -4.614656 6.207199 
1 1 1   25   19   22 o   12.185   3.6486   26.449   12.876   14.190   17.302   41.668   19.278   9.7148   4.0328   14.382   4.4954 -4.667493 6.039202 
1 1 1   25   19   23 o   18.977   2.6465   56.279   13.123   60.202   17.176   50.780   20.338   18.644   3.5599   15.758   4.5508 2.886414 5.777767 
1 1 1   25   19   24 o   10.500   4.3495   20.809   20.063   12.710   25.973   32.790   31.592   9.8727   4.4871   11.672   5.1507 -1.798808 6.831106 
1 1 1   25   19   25 o   8.8755   3.9191   9.3618   18.316  -3.0500   24.230   25.910   27.977   8.4228   3.9934   10.901   4.8270 -2.478194 6.264753 
1 1 1   25   19   26 o   6.6659   3.2316 -14.8392   17.967 -34.9000   22.938   17.010   28.903   6.5203   3.2513   9.9949   4.6131 -3.474584 5.643696 
1 1 1   25   20  -23 o   6.4895   3.2693 -48.0900   26.247 -48.0900   26.247   0.0000   0.0000   6.4895   3.2693  ?   ?  0.000000 3.269274 
1 1 1   25   20  -22 o   10.479   4.0624   22.201   16.328   22.201   16.328   0.0000   0.0000   10.479   4.0624  ?   ?  0.000000 4.062408 
1 1 1   25   20  -21 o   13.932   5.2307   51.670   26.516   51.670   26.516   0.0000   0.0000   13.932   5.2307  ?   ?  0.000000 5.230691 
1 1 1   25   20  -20 o   5.6917   2.7529 -13.8741   12.850 -27.9609   16.805   5.9570   19.939   5.7698   2.8612   8.7424   3.9568 -2.972567 4.882879 
1 1 1   25   20  -19 o   13.751   3.4384   33.117   12.666   18.126   17.430   49.889   18.437   10.134   4.1094   16.008   4.2260 -5.873235 5.894562 
1 1 1   25   20  -18 o   16.975   2.9332   46.442   12.890   38.730   17.976   54.606   18.494   13.932   4.3386   17.120   4.0797 -3.188133 5.955510 
1 1 1   25   20  -17 o   11.912   3.6492   25.260   12.776   17.738   17.245   34.413   19.023   10.246   4.1110   13.037   4.4872 -2.790441 6.085667 
1 1 1   25   20  -16 o   21.242   2.8544   70.865   15.873  108.900   28.189   53.205   19.208   24.006   4.5382   16.880   4.2417 7.125294 6.211889 
1 1 1   25   20  -15 o   7.8151   3.4392   2.7067   13.991   10.910   22.103  -2.7775   18.073   9.8629   4.3320   7.9627   3.6653 1.900237 5.674562 
1 1 1   25   20  -14 o   9.2938   3.5652   12.874   12.479   33.526   16.951 -11.5599   18.438   13.432   4.2181   7.3335   3.4789 6.098941 5.467639 
1 1 1   25   20  -13 o   22.600   2.3840   75.906   14.253   80.896   19.093   69.625   21.422   22.457   3.2606   19.836   4.1539 2.621340 5.280718 
1 1 1   25   20  -12 o   7.3231   3.1389   2.9894   11.038   11.222   12.110 -37.4392   26.836   9.0018   3.4960   7.4839   3.6936 1.517895 5.085787 
1 1 1   25   20  -11 o   9.4997   3.2115   14.066   9.7383   26.062   12.802  -2.4057   15.002   12.432   3.6164   7.5309   3.4179 4.901295 4.975998 
1 1 1   25   20  -10 o   7.5030   2.9974   6.0512   9.1244   9.2362   12.483   2.3975   13.370   8.7282   3.4992   7.7951   3.3978 0.9331498 4.877410 
1 1 1   25   20   -9 o   11.907   2.9584   22.303   9.4191   45.177   13.407   0.0083   13.236   17.021   3.0443   7.4633   3.3117 9.558141 4.498322 
1 1 1   25   20   -8 o   14.790   2.4910   32.695   9.5434   39.718   13.424   25.519   13.570   15.794   3.2722   12.328   3.7578 3.466185 4.982800 
1 1 1   25   20   -7 o   20.572   1.8599   60.086   10.166   77.405   14.038   40.991   14.741   23.055   2.2976   15.863   3.5487 7.192949 4.227530 
1 1 1   25   20   -6 o   7.9266   3.1087   7.2805   9.6476   11.535   12.656   1.3778   14.907   9.2686   3.5811   8.0546   3.5472 1.213976 5.040502 
1 1 1   25   20   -5 o   9.7731   3.0262   14.740   8.7595   1.4866   16.357   20.069   10.372   8.3748   3.7005   11.233   3.2516 -2.857829 4.926090 
1 1 1   25   20   -4 o   18.013   1.9667   46.336   9.3608   60.699   17.724   40.781   11.024   19.505   3.5125   16.554   2.5620 2.950264 4.347583 
1 1 1   25   20   -3 o   21.938   1.6242   67.270   9.5022   76.342   17.595   63.535   11.290   22.386   3.0019   21.095   2.0172 1.291311 3.616688 
1 1 1   25   20   -2 o   6.3344   2.6998   1.4104   8.0826   6.5276   13.103  -1.7325   10.269   8.4756   3.5133   6.4945   2.8972 1.981102 4.553792 
1 1 1   25   20   -1 o   20.165   1.6556   56.953   8.8882   63.937   14.369   52.625   11.312   20.754   2.6373   19.052   2.2544 1.702488 3.469467 
1 1 1   25   20    0 o   5.3833   2.4855  -5.1656   8.4005   8.1692   12.439 -16.3465   11.390   8.6449   3.4834   5.2915   2.5671 3.353357 4.327110 
1 1 1   25   20    1 o   18.144   1.8408   46.624   8.8467   33.449   13.694   56.062   11.590   14.353   3.5675   19.684   2.2316 -5.330916 4.207998 
1 1 1   25   20    2 o   5.5425   2.5153  -3.3018   8.1232  -5.4173   12.954  -1.9309   10.428   6.8008   3.1203   6.5144   2.9119 0.2863693 4.267959 
1 1 1   25   20    3 o   15.957   1.9871   36.483   8.3320   36.618   12.961   36.388   10.877   15.234   3.2658   15.545   2.7034 -0.3109217 4.239546 
1 1 1   25   20    4 o   19.537   1.7279   53.722   8.9737   60.916   13.917   48.602   11.740   20.245   2.6209   18.153   2.4722 2.091068 3.602864 
1 1 1   25   20    5 o   27.248   1.4180  102.750   10.342  123.769   15.585   86.211   13.824   29.509   1.9777   24.506   2.1212 5.003378 2.900197 
1 1 1   25   20    6 o   14.755   2.2266   31.827   8.5497   52.184   13.686   18.798   10.949   18.541   2.8385   10.847   3.3875 7.694698 4.419482 
1 1 1   25   20    7 o   8.3191   3.0589   9.4710   8.9793   21.958   14.749   2.1168   11.319   11.501   3.9515   7.3332   3.1614 4.167449 5.060488 
1 1 1   25   20    8 o   8.8811   3.1405   11.561   9.3541   7.5782   15.353   13.913   11.796   8.9475   3.7626   9.6433   3.5121 -0.6958361 5.147036 
1 1 1   25   20    9 o   10.713   3.0001   18.116   8.9759   10.333   12.759   25.741   12.630   8.9944   3.5598   12.443   3.5841 -3.448189 5.051522 
1 1 1   25   20   10 o   6.5723   2.8368   1.2605   9.1358  -2.6621   12.345   6.0105   13.584   6.8864   3.1153   8.3676   3.5301 -1.481178 4.708166 
1 1 1   25   20   11 o   17.321   2.1570   43.813   9.8175   44.997   13.547   42.503   14.248   16.881   3.1021   16.161   3.3905 0.7191448 4.595512 
1 1 1   25   20   12 o   5.8210   2.7097  -6.3770   10.300  -7.8434   15.938  -5.3253   13.497   7.1701   3.3487   6.8383   3.1548 0.3317733 4.600753 
1 1 1   25   20   13 o   11.557   3.1568   21.777   10.076   25.067   13.463   17.587   15.193   12.028   3.7562   10.406   3.9476 1.622566 5.449039 
1 1 1   25   20   14 o   13.242   2.9977   28.125   10.414   42.891   14.128   10.558   15.410   16.118   3.3718   9.1909   3.8099 6.927236 5.087653 
1 1 1   25   20   15 o   13.335   3.7827   31.483   14.175   41.642   17.942   14.616   23.119   14.883   4.2675   10.338   4.4873 4.544481 6.192564 
1 1 1   25   20   16 o   15.918   3.3436   42.294   13.841   38.912   18.600   46.491   20.718   14.088   4.4176   15.165   4.6472 -1.077051 6.411863 
1 1 1   25   20   17 o   12.493   4.1147   29.699   16.004   88.530   29.374   4.8645   19.085   20.019   5.3574   8.7627   3.9264 11.25642 6.642165 
1 1 1   25   20   18 o   17.458   3.4913   52.359   15.799   70.199   18.772   9.0360   29.254   20.141   3.6024   9.9745   4.6168 10.16607 5.855927 
1 1 1   25   20   19 o   6.2156   2.9150  -6.5994   12.289   6.9480   16.056 -25.7640   19.096   8.4817   3.7095   6.3906   3.1467 2.091116 4.864388 
1 1 1   25   20   20 o   7.0695   3.1617   1.1105   12.312  -3.5179   16.482   6.9525   18.518   7.3629   3.4276   8.6933   3.8834 -1.330354 5.179718 
1 1 1   25   20   21 o   7.6024   3.2915   5.2109   12.375   2.4668   15.704   9.7074   20.102   7.7723   3.5151   9.0375   4.0410 -1.265201 5.355947 
1 1 1   25   20   22 o   6.5301   3.0705  -5.7557   13.788   1.7280   21.613 -10.8917   17.905   8.3646   3.9043   6.9113   3.3192 1.453269 5.124506 
1 1 1   25   20   23 o   6.5148   3.1562 -13.6713   17.063 -22.5000   20.593   5.6670   30.478   6.6266   3.2638   9.1710   4.3847 -2.544395 5.466092 
1 1 1   25   21  -19 o   11.891   4.0847   30.636   15.759   30.636   15.759   0.0000   0.0000   11.891   4.0847  ?   ?  0.000000 4.084659 
1 1 1   25   21  -18 o   13.554   3.3228   33.096   12.003   34.766   15.895   30.880   18.310   12.859   4.0902   11.652   4.3521 1.206434 5.972502 
1 1 1   25   21  -17 o   6.9056   3.0975   1.2620   11.911   1.6727   16.200   0.7787   17.572   7.6803   3.5111   7.7866   3.5949 -0.1063509 5.025094 
1 1 1   25   21  -16 o   16.568   3.0451   46.109   13.052   58.146   18.627   34.500   18.293   17.276   4.0795   12.559   4.3958 4.716966 5.997126 
1 1 1   25   21  -15 o   7.4512   3.2319   4.5117   11.975   4.2346   16.390   4.8290   17.539   8.0905   3.6310   8.3033   3.7388 -0.2128181 5.211752 
1 1 1   25   21  -14 o   9.0769   3.7219   12.689   14.495   10.810   24.909   13.651   17.824   9.6047   4.3764   9.4356   4.0150 0.1691236 5.939171 
1 1 1   25   21  -13 o   18.810   3.2462   59.451   15.807   94.690   27.833   42.673   19.205   21.048   4.9977   14.294   4.4900 6.754228 6.718414 
1 1 1   25   21  -12 o   6.0897   2.8752  -8.1008   12.317 -14.9587   17.030  -0.5786   17.836   6.6334   3.1988   7.9475   3.6520 -1.314116 4.854781 
1 1 1   25   21  -11 o   6.4382   3.0660 -10.7401   14.596  -9.6062   16.912 -14.0500   28.896   7.0307   3.3342   8.5544   4.1353 -1.523797 5.312063 
1 1 1   25   21  -10 o   15.424   3.6086   41.560   14.684   45.113   17.744   33.840   26.155   15.418   4.1800   12.336   5.0220 3.081913 6.533996 
1 1 1   25   21   -9 o   7.1088   3.0586   3.1154   10.552   2.6193   13.130   4.0200   17.732   7.5726   3.3321   8.5089   3.8007 -0.9363413 5.054551 
1 1 1   25   21   -8 o   16.163   2.3871   39.551   10.051   52.380   14.161   26.527   14.268   18.065   3.0256   12.082   3.8786 5.982907 4.919133 
1 1 1   25   21   -7 o   8.5680   3.2011   10.857   9.9072   4.8115   13.308   18.372   14.838   7.9542   3.4286   10.386   3.9102 -2.432251 5.200465 
1 1 1   25   21   -6 o   7.1800   3.0517   3.6542   10.276   13.052   16.813  -1.9495   12.983   9.6350   3.9856   7.0104   3.1809 2.624625 5.099292 
1 1 1   25   21   -5 f   9.1622   3.1269   13.270   9.2330   19.619   13.170   7.1331   12.948   10.695   3.7305   8.2807   3.4674 2.414682 5.093089 
1 1 1   25   21   -4 f   6.6253   2.9150   0.5163   10.047 -16.4164   16.466   10.558   12.680   6.5390   3.1512   8.8459   3.5336 -2.306970 4.734637 
1 1 1   25   21   -3 o   19.616   2.0271   55.989   10.526   58.751   15.068   53.356   14.712   19.266   3.0103   18.255   3.1120 1.011011 4.329695 
1 1 1   25   21   -2 o   6.5217   2.8296   1.2703   9.1846   13.303   13.217  -9.9653   12.772   9.4320   3.6554   6.1431   2.9087 3.288964 4.671461 
1 1 1   25   21   -1 o   6.1276   2.7732  -2.4587   9.7934  -7.3021   15.712   0.6183   12.524   7.1132   3.3231   7.2650   3.2227 -0.1518717 4.629093 
1 1 1   25   21    0 o   24.233   1.6370   82.983   10.592   86.774   15.474   79.640   14.530   24.095   2.4240   23.124   2.3731 0.9703674 3.392216 
1 1 1   25   21    1 o   5.5278   2.5960  -7.3004   9.8036   4.7234   13.077 -22.7285   14.813   7.9608   3.4145   5.7334   2.8128 2.227428 4.423846 
1 1 1   25   21    2 o   10.369   3.2774   17.703   10.218   26.764   13.848   6.8738   15.139   12.323   3.8032   8.6112   3.6831 3.712026 5.294327 
1 1 1   25   21    3 o   7.6234   3.1363   5.8851   10.336   7.8850   12.434   1.4116   18.597   8.3473   3.4377   8.4901   3.8338 -0.1428223 5.149376 
1 1 1   25   21    4 f   9.1777   3.1467   13.281   9.3508   14.717   13.410   11.922   13.046   9.6972   3.7015   9.1376   3.6050 0.5595512 5.166902 
1 1 1   25   21    5 f   11.692   3.1621   22.556   10.169   40.331   15.768   9.8950   13.307   15.080   3.8727   8.7914   3.5809 6.288527 5.274540 
1 1 1   25   21    6 o   11.702   3.0057   22.272   9.4971   14.256   13.711   29.665   13.168   9.5934   3.7216   13.054   3.6260 -3.461008 5.195933 
1 1 1   25   21    7 o   17.167   2.2307   43.867   10.042   42.863   14.006   44.929   14.406   16.031   3.3604   16.403   3.3822 -0.3725338 4.767751 
1 1 1   25   21    8 o   6.5791   2.9027   0.4926   10.027  -2.1088   16.514   2.0119   12.620   7.6942   3.5276   7.4066   3.2627 0.2875676 4.805116 
1 1 1   25   21    9 o   14.235   2.5956   31.502   9.5584   38.947   14.065   25.112   13.030   15.018   3.5439   11.864   3.6937 3.154111 5.118894 
1 1 1   25   21   10 o   10.442   3.0963   18.164   9.3065   30.253   13.749   7.9400   12.643   12.947   3.7424   8.2647   3.4405 4.681862 5.083584 
1 1 1   25   21   11 o   11.959   2.8869   23.316   9.1674   24.398   13.740   22.449   12.307   11.526   3.8134   11.221   3.6023 0.3049364 5.245808 
1 1 1   25   21   12 o   20.055   2.3246   60.921   12.289   55.430   25.087   62.654   14.097   15.375   5.1548   19.968   2.6975 -4.592970 5.817935 
1 1 1   25   21   13 o   10.584   3.9668   20.883   15.237   20.280   23.936   21.294   19.757   10.542   4.5708   10.603   4.3460 -0.6087399E-01 6.307177 
1 1 1   25   21   14 o   9.2576   3.5722   14.289   12.580   13.920   24.082   14.428   14.753   9.8291   4.4070   9.3764   3.7881 0.4527607 5.811328 
1 1 1   25   21   15 o   5.7980   2.7945 -12.6228   12.959 -41.2000   26.205  -3.3728   14.909   6.8501   3.4248   7.0520   3.2752 -0.2018967 4.738807 
1 1 1   25   21   16 o   4.9004   2.4258 -21.0944   11.887 -27.7700   23.705 -18.8521   13.739   6.9643   3.4436   5.5283   2.7115 1.436025 4.382989 
1 1 1   25   21   17 o   10.535   4.2171   23.168   18.101   9.9940   25.522   36.500   25.675   9.2957   4.3060   11.815   4.9094 -2.519711 6.530229 
1 1 1   25   21   18 o   14.087   4.0008   40.263   15.846   44.400   23.451   36.787   21.496   12.980   4.9091   12.158   4.6756 0.8216381 6.779404 
1 1 1   25   21   19 o   6.1123   2.8750  -5.3723   12.104   7.2551   15.486 -25.2023   19.406   8.0830   3.5846   6.2528   3.0961 1.830265 4.736582 
1 1 1   25   22  -15 o   17.692   2.8410   53.150   13.044   52.171   16.902   54.592   20.510   15.901   3.9699   14.933   4.6317 0.9671383 6.100188 
1 1 1   25   22  -14 o   9.0397   3.5104   15.224   12.209   28.150   15.996  -2.8106   18.895   11.210   4.0887   7.4497   3.5304 3.760092 5.401951 
1 1 1   25   22  -13 o   6.7773   3.1575  -2.4965   14.033   3.1360   21.911  -6.4132   18.272   8.2777   3.8854   7.1455   3.4104 1.132176 5.169791 
1 1 1   25   22  -12 o   11.163   3.6644   24.590   12.696   19.026   17.875   30.256   18.036   9.7481   4.0772   11.477   4.3130 -1.728779 5.935110 
1 1 1   25   22  -11 o   8.7280   3.6370   12.289   14.148   7.4570   23.968   14.873   17.527   8.8899   4.1367   9.2519   3.9602 -0.3620281 5.726754 
1 1 1   25   22  -10 o   6.4271   2.9773  -3.0825   12.202  -5.1882   16.175  -0.3014   18.589   7.0099   3.3052   7.7931   3.6319 -0.7831678 4.910700 
1 1 1   25   22   -9 o   6.3255   3.0163  -9.0937   14.228 -10.2995   16.417  -5.4560   28.515   6.6755   3.1986   8.5479   4.1263 -1.872447 5.220896 
1 1 1   25   22   -8 o   6.4363   3.0416  -7.0345   13.838 -15.2888   17.290   7.6770   23.082   6.5195   3.1628   9.0035   4.1436 -2.483926 5.212767 
1 1 1   25   22   -7 o   6.5084   2.9307  -0.1444   10.778 -13.6548   16.397   10.135   14.303   6.4702   3.1247   8.5518   3.6158 -2.081659 4.778901 
1 1 1   25   22   -6 o   7.7268   3.1216   7.9906   10.018   13.668   13.671   1.4059   14.722   9.1024   3.6574   7.4950   3.3954 1.607430 4.990477 
1 1 1   25   22   -5 o   11.941   2.9423   23.947   9.3755   30.773   13.472   17.538   13.055   12.801   3.7058   9.8465   3.6755 2.954983 5.219424 
1 1 1   25   22   -4 o   4.9993   2.3746  -7.5673   8.6441  -9.6074   13.075  -5.9835   11.521   6.0792   2.8969   6.0302   2.8262 0.4907036E-01 4.047173 
1 1 1   25   22   -3 o   11.667   2.8743   22.610   8.9484   46.154   13.567   4.4792   11.905   16.518   3.1734   7.4471   3.2263 9.070461 4.525388 
1 1 1   25   22   -2 o   14.598   2.5967   33.775   9.8079   52.103   16.638   24.013   12.142   16.871   3.7670   11.446   3.5660 5.424828 5.187096 
1 1 1   25   22   -1 o   7.7029   2.9867   8.3981   8.8271   1.4647   13.301   13.855   11.800   7.2995   3.2738   9.1250   3.4748 -1.825532 4.774134 
1 1 1   25   22    0 o   8.8668   3.2774   12.896   10.330   4.7916   16.421   18.204   13.289   8.1922   3.6584   10.030   3.7153 -1.837905 5.214166 
1 1 1   25   22    1 o   5.0639   2.4131  -8.3908   9.0738  -4.4096   12.499 -12.8268   13.194   6.4524   2.9974   5.8558   2.8217 0.5965748 4.116611 
1 1 1   25   22    2 o   4.9273   2.3688 -10.0714   9.1731  -4.1099   13.312 -15.4613   12.658   6.6665   3.0957   5.5151   2.6826 1.151431 4.096331 
1 1 1   25   22    3 o   8.0063   3.1753   9.0993   10.171  -1.9961   15.711   17.104   13.345   7.3488   3.3951   9.7891   3.7030 -2.440267 5.023776 
1 1 1   25   22    4 o   6.0905   2.7456  -1.0039   9.4907  -6.3026   13.665   3.9333   13.191   6.5164   3.0618   7.5787   3.3372 -1.062233 4.528949 
1 1 1   25   22    5 o   9.0652   3.1766   13.884   9.5543   15.016   13.957   12.886   13.106   9.3730   3.7190   8.9553   3.5871 0.4177008 5.167031 
1 1 1   25   22    6 o   6.0365   2.6949  -0.1747   8.9029   0.8689   13.825  -0.9140   11.637   7.2779   3.2943   6.6193   3.0065 0.6586437 4.459975 
1 1 1   25   22    7 o   8.3003   3.0663   11.032   9.0397   18.266   14.132   6.0232   11.760   9.9154   3.7963   7.6100   3.2503 2.305399 4.997641 
1 1 1   25   22    8 o   5.8035   2.6725  -3.1268   9.6218   2.0046   16.793  -5.6346   11.740   7.8293   3.5775   6.0812   2.8511 1.748103 4.574643 
1 1 1   25   22    9 o   15.702   2.6779   39.894   10.888   45.071   18.091   36.952   13.635   14.579   4.3155   14.112   3.5890 0.4676495 5.612907 
1 1 1   25   22   10 o   5.4909   2.6658 -13.7556   12.345   11.620   21.502 -26.2336   15.078   9.1456   4.1268   5.3886   2.6786 3.756958 4.919892 
1 1 1   25   22   11 o   6.1881   3.0449 -21.3859   17.778 -26.6200   22.586 -12.8600   28.826   6.7412   3.3383   8.1112   3.9676 -1.369952 5.185215 
1 1 1   25   22   12 o   5.5755   2.7018 -12.7969   12.526  -3.0960   21.970 -17.4689   15.246   7.8983   3.7613   5.8823   2.8791 2.016033 4.736733 
1 1 1   25   22   13 o   10.047   3.7150   20.177   13.275   13.590   23.020   23.460   16.249   9.1917   4.1956   10.420   4.0489 -1.228216 5.830673 
1 1 1   25   22   14 o   8.0641   3.4273   9.4931   12.959  -0.6386   22.448   14.557   15.871   7.9941   3.8056   8.9659   3.8009 -0.9717388 5.378607 
1 1 1   25   22   15 o   9.9361   3.7841   20.652   13.996   5.4060   20.090   35.029   19.509   8.1653   3.7955   11.713   4.4661 -3.547533 5.860987 
1 1 1   25   23   -7 o   7.2416   3.2963   3.1927   14.084   4.2151   16.530   0.4849   26.903   7.6397   3.5125   8.2308   3.9816 -0.5911160 5.309474 
1 1 1   25   23   -6 f   6.7009   3.0496   1.0933   12.049  -3.3095   16.229   6.5009   17.986   6.9467   3.2862   8.0267   3.6806 -1.080070 4.934115 
1 1 1   25   23   -5 o   16.901   2.9972   49.849   13.107   52.154   17.600   46.978   19.641   15.530   4.1429   13.704   4.5605 1.825414 6.161308 
1 1 1   25   23   -4 o   9.2412   3.5760   16.693   12.634   10.184   16.923   24.888   18.990   8.3771   3.7295   10.232   4.2344 -1.855179 5.642663 
1 1 1   25   23   -3 f   7.2453   3.0517   6.6438   10.125   9.1806   13.568   3.4554   15.210   8.0173   3.4588   7.4862   3.4145 0.5311422 4.860252 
1 1 1   25   23   -2 o   7.4999   3.0916   8.0225   10.068   4.4456   13.316   12.796   15.382   7.3613   3.2904   8.6494   3.7064 -1.288160 4.956201 
1 1 1   25   23   -1 o   10.178   3.4688   20.287   11.362   8.9151   16.556   30.412   15.622   8.2423   3.6777   11.654   4.0632 -3.411582 5.480382 
1 1 1   25   23    0 o   5.6255   2.5929  -2.4625   9.0854 -12.0334   12.996   6.6860   12.706   5.6862   2.7547   7.5898   3.3102 -1.903538 4.306489 
1 1 1   25   23    1 o   7.8084   3.2308   9.1426   11.052   37.810   26.151   2.9084   12.195   11.245   4.8260   7.0014   3.1378 4.243863 5.756427 
1 1 1   25   23    2 o   4.7832   2.3069  -9.3845   8.8642  -1.6528   13.268 -15.6183   11.913   6.6560   3.0907   5.1591   2.5293 1.496969 3.993734 
1 1 1   25   23    3 f   10.082   3.1949   18.946   9.7050   27.091   13.672   10.674   13.779   11.326   3.8054   8.2506   3.5209 3.075773 5.184360 
1 1 1   25   23    4 o   7.4319   3.1614   7.1121   11.044   21.451   16.004  -5.9232   15.260   9.9120   3.9662   6.6059   3.1428 3.306079 5.060382 
1 1 1   25   23    5 o   11.393   3.3512   24.896   10.939   39.386   16.942   14.535   14.326   13.058   4.2300   8.8247   3.6670 4.233710 5.598257 
1 1 1   25   23    6 f   12.267   3.7304   31.189   13.384   29.820   22.636   31.925   16.596   10.510   4.4996   11.617   4.1750 -1.106549 6.138207 
1 1 1   25   23    7 o   9.2545   3.6266   17.284   13.122   16.730   23.051   17.550   15.960   9.1504   4.1851   9.2150   3.8533 -0.6465530E-01 5.688831 
1 1 1   26    0  -45 o   22.454   3.4078   75.264   19.150   75.264   19.150   75.264   19.150   22.454   3.4078   22.454   3.4078 0.000000 0.000000 
1 1 1   26    0  -44 o   9.3433   5.0613   18.775   17.799   18.775   17.799   18.775   17.799   9.3433   5.0613   9.3433   5.0613 0.000000 0.000000 
1 1 1   26    0  -43 o   28.524   2.0098  112.343   15.222  112.343   15.222  112.343   15.222   28.524   2.0098   28.524   2.0098 0.000000 0.000000 
1 1 1   26    0  -42 o   9.4853   4.5054   18.692   13.073   18.692   13.073   18.692   13.073   9.4853   4.5054   9.4853   4.5054 0.000000 0.000000 
1 1 1   26    0  -41 o   30.453   1.9269  127.332   15.617  127.332   15.617  127.332   15.617   30.453   1.9269   30.453   1.9269 0.000000 0.000000 
1 1 1   26    0  -40 o   19.231   2.6153   53.188   12.803   53.188   12.803   53.188   12.803   19.231   2.6153   19.231   2.6153 0.000000 0.000000 
1 1 1   26    0  -39 o   33.390   1.9856  152.860   17.663  152.860   17.663  152.860   17.663   33.390   1.9856   33.390   1.9856 0.000000 0.000000 
1 1 1   26    0  -38 o   24.076   2.7989   82.406   17.461   82.406   17.461   82.406   17.461   24.076   2.7989   24.076   2.7989 0.000000 0.000000 
1 1 1   26    0  -37 o   45.004   1.5924  274.685   19.194  274.685   19.194  274.685   19.194   45.004   1.5924   45.004   1.5924 0.000000 0.000000 
1 1 1   26    0  -36 o   26.704   2.0283   98.294   14.355   98.294   14.355   98.294   14.355   26.704   2.0283   26.704   2.0283 0.000000 0.000000 
1 1 1   26    0  -35 o   37.933   2.2264  197.229   22.505  197.229   22.505  197.229   22.505   37.933   2.2264   37.933   2.2264 0.000000 0.000000 
1 1 1   26    0  -34 o   5.2301   3.3533   0.7204   10.663   0.7204   10.663   0.7204   10.663   5.2301   3.3533   5.2301   3.3533 0.000000 0.000000 
1 1 1   26    0  -33 o   19.109   2.4885   51.969   12.174   51.969   12.174   51.969   12.174   19.109   2.4885   19.109   2.4885 0.000000 0.000000 
1 1 1   26    0  -32 o   9.3979   4.2679   17.629   11.649   17.629   11.649   17.629   11.649   9.3979   4.2679   9.3979   4.2679 0.000000 0.000000 
1 1 1   26    0  -31 o   35.667   1.6019  172.537   15.276  172.537   15.276  172.537   15.276   35.667   1.6019   35.667   1.6019 0.000000 0.000000 
1 1 1   26    0  -30 o   11.225   3.9704   22.568   10.885   22.568   10.885   22.568   10.885   11.225   3.9704   11.225   3.9704 0.000000 0.000000 
1 1 1   26    0  -29 o   15.680   2.9713   36.680   11.205   36.680   11.205   36.680   11.205   15.680   2.9713   15.680   2.9713 0.000000 0.000000 
1 1 1   26    0  -28 o   5.9087   3.8407  -0.7318   14.633  -0.7318   14.633  -0.7318   14.633   5.9087   3.8407   5.9087   3.8407 0.000000 0.000000 
1 1 1   26    0  -27 o   7.0150   4.2273   6.8558   14.487   6.8558   14.487   6.8558   14.487   7.0150   4.2273   7.0150   4.2273 0.000000 0.000000 
1 1 1   26    0  -26 o   3.2844   2.3604 -17.0689   10.078 -17.0689   10.078 -17.0689   10.078   3.2844   2.3604   3.2844   2.3604 0.000000 0.000000 
1 1 1   26    0  -25 o   17.760   2.4894   45.038   11.206   45.038   11.206   45.038   11.206   17.760   2.4894   17.760   2.4894 0.000000 0.000000 
1 1 1   26    0  -24 o   50.754   1.3998  347.409   19.050  347.409   19.050  347.409   19.050   50.754   1.3998   50.754   1.3998 0.000000 0.000000 
1 1 1   26    0  -23 o   83.454   2.1210  940.995   47.473  940.995   47.473  940.995   47.473   83.454   2.1210   83.454   2.1210 0.000000 0.000000 
1 1 1   26    0  -22 f   36.273   2.0612  179.028   19.933  179.028   19.933  179.028   19.933   36.273   2.0612   36.273   2.0612 0.000000 0.000000 
1 1 1   26    0  -21 o   8.8135   3.9484   15.223   9.9627   15.223   9.9627   15.223   9.9627   8.8135   3.9484   8.8135   3.9484 0.000000 0.000000 
1 1 1   26    0  -20 o   20.177   2.1310   56.650   11.254   56.650   11.254   56.650   11.254   20.177   2.1310   20.177   2.1310 0.000000 0.000000 
1 1 1   26    0  -19 o   21.003   1.9896   60.969   10.992   60.969   10.992   60.969   10.992   21.003   1.9896   21.003   1.9896 0.000000 0.000000 
1 1 1   26    0  -18 f   60.463   1.3615  492.266   22.086  492.266   22.086  492.266   22.086   60.463   1.3615   60.463   1.3615 0.000000 0.000000 
1 1 1   26    0  -17 o  104.698   1.6892  1475.67   47.475  1475.67   47.475  1475.67   47.475  104.698   1.6892  104.698   1.6892 0.000000 0.000000 
1 1 1   26    0  -16 o   37.322   1.4140  188.068   14.128  188.068   14.128  188.068   14.128   37.322   1.4140   37.322   1.4140 0.000000 0.000000 
1 1 1   26    0  -15 o   25.275   1.6726   87.038   11.241   87.038   11.241   87.038   11.241   25.275   1.6726   25.275   1.6726 0.000000 0.000000 
1 1 1   26    0  -14 o   32.375   1.4732  141.783   12.750  141.783   12.750  141.783   12.750   32.375   1.4732   32.375   1.4732 0.000000 0.000000 
1 1 1   26    0  -13 o   13.674   3.0571   28.650   9.8058   28.650   9.8058   28.650   9.8058   13.674   3.0571   13.674   3.0571 0.000000 0.000000 
1 1 1   26    0  -12 o   37.595   1.1187  190.424   11.274  190.424   11.274  190.424   11.274   37.595   1.1187   37.595   1.1187 0.000000 0.000000 
1 1 1   26    0  -11 o   20.227   1.2819   55.642   6.9003   55.642   6.9003   55.642   6.9003   20.227   1.2819   20.227   1.2819 0.000000 0.000000 
1 1 1   26    0  -10 o   24.654   1.3126   82.381   8.6355   82.381   8.6355   82.381   8.6355   24.654   1.3126   24.654   1.3126 0.000000 0.000000 
1 1 1   26    0   -9 o   43.739   1.2926  257.765   15.156  257.765   15.156  257.765   15.156   43.739   1.2926   43.739   1.2926 0.000000 0.000000 
1 1 1   26    0   -8 o  141.936   1.6921  2709.77   64.485  2709.77   64.485  2709.77   64.485  141.936   1.6921  141.936   1.6921 0.000000 0.000000 
1 1 1   26    0   -7 o   29.671   1.1171  118.790   8.8736  118.790   8.8736  118.790   8.8736   29.671   1.1171   29.671   1.1171 0.000000 0.000000 
1 1 1   26    0   -6 o   29.798   1.2420  119.938   9.9012  119.938   9.9012  119.938   9.9012   29.798   1.2420   29.798   1.2420 0.000000 0.000000 
1 1 1   26    0   -5 o  131.090   1.9487  2312.70   68.580  2312.70   68.580  2312.70   68.580  131.090   1.9487  131.090   1.9487 0.000000 0.000000 
1 1 1   26    0   -4 o  139.343   1.8273  2612.16   68.361  2612.16   68.361  2612.16   68.361  139.343   1.8273  139.343   1.8273 0.000000 0.000000 
1 1 1   26    0   -3 o   66.800   1.2956  600.304   23.225  600.304   23.225  600.304   23.225   66.800   1.2956   66.800   1.2956 0.000000 0.000000 
1 1 1   26    0   -2 o   45.531   1.1538  279.076   14.089  279.076   14.089  279.076   14.089   45.531   1.1538   45.531   1.1538 0.000000 0.000000 
1 1 1   26    0   -1 o   68.093   1.0816  623.423   19.770  623.423   19.770  623.423   19.770   68.093   1.0816   68.093   1.0816 0.000000 0.000000 
1 1 1   26    0    0 o   49.629   1.1186  331.427   14.894  331.427   14.894  331.427   14.894   49.629   1.1186   49.629   1.1186 0.000000 0.000000 
1 1 1   26    0    1 o   24.252   1.4151   79.847   9.1458   79.847   9.1458   79.847   9.1458   24.252   1.4151   24.252   1.4151 0.000000 0.000000 
1 1 1   26    0    2 o   62.283   1.4872  522.263   24.847  522.263   24.847  522.263   24.847   62.283   1.4872   62.283   1.4872 0.000000 0.000000 
1 1 1   26    0    3 o   49.809   1.2466  333.995   16.654  333.995   16.654  333.995   16.654   49.809   1.2466   49.809   1.2466 0.000000 0.000000 
1 1 1   26    0    4 o   11.148   2.9083   19.779   7.5246   19.779   7.5246   19.779   7.5246   11.148   2.9083   11.148   2.9083 0.000000 0.000000 
1 1 1   26    0    5 o   24.664   1.3605   82.495   8.9498   82.495   8.9498   82.495   8.9498   24.664   1.3605   24.664   1.3605 0.000000 0.000000 
1 1 1   26    0    6 o   66.104   1.1784  587.712   20.908  587.712   20.908  587.712   20.908   66.104   1.1784   66.104   1.1784 0.000000 0.000000 
1 1 1   26    0    7 o   28.889   1.3960  112.949   10.775  112.949   10.775  112.949   10.775   28.889   1.3960   28.889   1.3960 0.000000 0.000000 
1 1 1   26    0    8 o   17.952   1.8012   44.628   8.4847   44.628   8.4847   44.628   8.4847   17.952   1.8012   17.952   1.8012 0.000000 0.000000 
1 1 1   26    0    9 o   18.716   1.6219   48.143   8.0124   48.143   8.0124   48.143   8.0124   18.716   1.6219   18.716   1.6219 0.000000 0.000000 
1 1 1   26    0   10 o   61.352   1.0751  506.216   17.705  506.216   17.705  506.216   17.705   61.352   1.0751   61.352   1.0751 0.000000 0.000000 
1 1 1   26    0   11 o  116.079   1.4596  1812.08   45.492  1812.08   45.492  1812.08   45.492  116.079   1.4596  116.079   1.4596 0.000000 0.000000 
1 1 1   26    0   12 o   88.460   1.2370  1052.24   29.379  1052.24   29.379  1052.24   29.379   88.460   1.2370   88.460   1.2370 0.000000 0.000000 
1 1 1   26    0   13 o   7.6830   3.4165   11.479   7.4613   11.479   7.4613   11.479   7.4613   7.6830   3.4165   7.6830   3.4165 0.000000 0.000000 
1 1 1   26    0   14 o   17.576   1.7451   42.758   8.0516   42.758   8.0516   42.758   8.0516   17.576   1.7451   17.576   1.7451 0.000000 0.000000 
1 1 1   26    0   15 o   56.167   1.1951  424.557   18.011  424.557   18.011  424.557   18.011   56.167   1.1951   56.167   1.1951 0.000000 0.000000 
1 1 1   26    0   16 o   15.005   2.2970   32.365   8.6130   32.365   8.6130   32.365   8.6130   15.005   2.2970   15.005   2.2970 0.000000 0.000000 
1 1 1   26    0   17 o   23.690   1.5701   76.462   9.8898   76.462   9.8898   76.462   9.8898   23.690   1.5701   23.690   1.5701 0.000000 0.000000 
1 1 1   26    0   18 f   52.334   1.1810  368.693   16.581  368.693   16.581  368.693   16.581   52.334   1.1810   52.334   1.1810 0.000000 0.000000 
1 1 1   26    0   19 o   44.240   1.2131  263.691   14.391  263.691   14.391  263.691   14.391   44.240   1.2131   44.240   1.2131 0.000000 0.000000 
1 1 1   26    0   20 o   46.763   1.3060  294.718   16.375  294.718   16.375  294.718   16.375   46.763   1.3060   46.763   1.3060 0.000000 0.000000 
1 1 1   26    0   21 o   7.6051   3.6215   11.498   8.4519   11.498   8.4519   11.498   8.4519   7.6051   3.6215   7.6051   3.6215 0.000000 0.000000 
1 1 1   26    0   22 f   14.977   2.5869   32.832   9.4748   32.832   9.4748   32.832   9.4748   14.977   2.5869   14.977   2.5869 0.000000 0.000000 
1 1 1   26    0   23 o   41.328   1.1972  230.260   13.265  230.260   13.265  230.260   13.265   41.328   1.1972   41.328   1.1972 0.000000 0.000000 
1 1 1   26    0   24 o   73.473   1.2621  726.752   24.889  726.752   24.889  726.752   24.889   73.473   1.2621   73.473   1.2621 0.000000 0.000000 
1 1 1   26    0   25 o   16.754   2.0424   39.502   8.8263   39.502   8.8263   39.502   8.8263   16.754   2.0424   16.754   2.0424 0.000000 0.000000 
1 1 1   26    0   26 o   21.416   1.6622   62.889   9.4286   62.889   9.4286   62.889   9.4286   21.416   1.6622   21.416   1.6622 0.000000 0.000000 
1 1 1   26    0   27 o   8.3716   3.7848   13.832   9.1562   13.832   9.1562   13.832   9.1562   8.3716   3.7848   8.3716   3.7848 0.000000 0.000000 
1 1 1   26    0   28 o   34.846   1.2145  163.968   11.336  163.968   11.336  163.968   11.336   34.846   1.2145   34.846   1.2145 0.000000 0.000000 
1 1 1   26    0   29 o   45.345   1.1542  277.163   14.036  277.163   14.036  277.163   14.036   45.345   1.1542   45.345   1.1542 0.000000 0.000000 
1 1 1   26    0   30 o   27.435   1.4064  102.158   10.301  102.158   10.301  102.158   10.301   27.435   1.4064   27.435   1.4064 0.000000 0.000000 
1 1 1   26    0   31 o   30.037   1.6107  122.676   12.909  122.676   12.909  122.676   12.909   30.037   1.6107   30.037   1.6107 0.000000 0.000000 
1 1 1   26    0   32 o   5.6190   3.4304   3.8765   9.8055   3.8765   9.8055   3.8765   9.8055   5.6190   3.4304   5.6190   3.4304 0.000000 0.000000 
1 1 1   26    0   33 o   32.191   1.3136  140.282   11.314  140.282   11.314  140.282   11.314   32.191   1.3136   32.191   1.3136 0.000000 0.000000 
1 1 1   26    0   34 o   3.7296   2.5732  -6.4700   8.6260  -6.4700   8.6260  -6.4700   8.6260   3.7296   2.5732   3.7296   2.5732 0.000000 0.000000 
1 1 1   26    0   35 o   14.711   3.9275   35.313   13.409   35.313   13.409   35.313   13.409   14.711   3.9275   14.711   3.9275 0.000000 0.000000 
1 1 1   26    0   36 o   59.645   1.3239  480.378   21.185  480.378   21.185  480.378   21.185   59.645   1.3239   59.645   1.3239 0.000000 0.000000 
1 1 1   26    0   37 o   5.1916   3.2381   2.4978   9.1958   2.4978   9.1958   2.4978   9.1958   5.1916   3.2381   5.1916   3.2381 0.000000 0.000000 
1 1 1   26    0   38 o   20.374   2.2167   58.358   11.766   58.358   11.766   58.358   11.766   20.374   2.2167   20.374   2.2167 0.000000 0.000000 
1 1 1   26    0   39 o   14.168   2.9892   30.786   10.010   30.786   10.010   30.786   10.010   14.168   2.9892   14.168   2.9892 0.000000 0.000000 
1 1 1   26    0   40 o   5.9414   3.5031   5.7808   9.5484   5.7808   9.5484   5.7808   9.5484   5.9414   3.5031   5.9414   3.5031 0.000000 0.000000 
1 1 1   26    0   41 o   10.278   3.7908   19.481   9.6915   19.481   9.6915   19.481   9.6915   10.278   3.7908   10.278   3.7908 0.000000 0.000000 
1 1 1   26    0   42 o   20.443   2.0709   58.535   11.103   58.535   11.103   58.535   11.103   20.443   2.0709   20.443   2.0709 0.000000 0.000000 
1 1 1   26    0   43 o   41.422   1.2867  232.376   14.284  232.376   14.284  232.376   14.284   41.422   1.2867   41.422   1.2867 0.000000 0.000000 
1 1 1   26    0   44 o   8.7087   4.4733   16.145   13.324   16.145   13.324   16.145   13.324   8.7087   4.4733   8.7087   4.4733 0.000000 0.000000 
1 1 1   26    0   45 o   33.669   1.6533  155.169   14.869  155.169   14.869  155.169   14.869   33.669   1.6533   33.669   1.6533 0.000000 0.000000 
1 1 1   26    0   46 o   6.9012   4.0272   9.0498   12.394   9.0498   12.394   9.0498   12.394   6.9012   4.0272   6.9012   4.0272 0.000000 0.000000 
1 1 1   26    0   47 o   35.430   1.6659  172.530   15.773  172.530   15.773  172.530   15.773   35.430   1.6659   35.430   1.6659 0.000000 0.000000 
1 1 1   26    0   48 o   15.191   4.3418   40.820   15.355   40.820   15.355   40.820   15.355   15.191   4.3418   15.191   4.3418 0.000000 0.000000 
1 1 1   26    0   49 o   5.3607   3.5012   0.7831   12.371   0.7831   12.371   0.7831   12.371   5.3607   3.5012   5.3607   3.5012 0.000000 0.000000 
1 1 1   26    0   50 o   5.0893   3.3832  -0.9661   12.368  -0.9661   12.368  -0.9661   12.368   5.0893   3.3832   5.0893   3.3832 0.000000 0.000000 
1 1 1   26    1  -45 o   29.276   4.8528  137.000   36.823   0.0000   0.0000  137.000   36.823  ?   ?    29.276   4.8528 0.000000 4.852784 
1 1 1   26    1  -44 o   21.210   2.5037   63.621   13.988   70.446   19.605   56.544   19.964   21.869   3.4522   19.270   3.9885 2.598446 5.275071 
1 1 1   26    1  -43 o   40.399   1.6172  222.478   17.548  207.981   25.037  236.477   24.603   38.636   2.4249   41.323   2.2249 -2.686829 3.290951 
1 1 1   26    1  -42 o   40.934   1.1541  226.598   12.689  218.182   17.507  235.913   18.419   40.030   1.6283   41.617   1.6477 -1.587856 2.316540 
1 1 1   26    1  -41 o   11.568   2.8536   19.394   8.8112   27.522   12.289   10.794   12.641   13.683   3.3667   9.6750   3.6156 4.007819 4.940405 
1 1 1   26    1  -40 o   12.712   2.6889   23.221   8.8943   24.445   12.385   21.917   12.781   12.905   3.4893   12.270   3.6261 0.6356211 5.032323 
1 1 1   26    1  -39 o   9.7269   3.0212   13.261   8.7231   13.923   12.345   12.601   12.327   10.325   3.6114   10.026   3.5987 0.2993441 5.098304 
1 1 1   26    1  -38 o   6.9820   2.9181   1.7511   9.1466   6.7760   12.841  -3.4247   13.032   8.9511   3.5622   7.4062   3.2862 1.544901 4.846498 
1 1 1   26    1  -37 o   44.301   1.2145  265.296   14.451  249.547   22.424  276.483   18.899   42.745   1.9532   45.130   1.5592 -2.384991 2.499202 
1 1 1   26    1  -36 o   29.579   1.3100  118.374   10.408  117.017   14.691  119.742   14.746   29.238   1.8808   29.582   1.8655 -0.3444195 2.649024 
1 1 1   26    1  -35 o   10.038   2.9027   14.329   8.2696   24.801   11.851   4.3892   11.545   13.046   3.3612   8.2092   3.3387 4.836703 4.737556 
1 1 1   26    1  -34 o   10.777   3.4688   16.075   11.407   11.473   16.197   20.602   16.067   10.524   4.0554   12.249   4.1251 -1.724854 5.784748 
1 1 1   26    1  -33 o   28.100   1.2766  106.668   9.6347  107.506   13.707  105.848   13.545   28.067   1.8283   27.851   1.8208 0.2162895 2.580282 
1 1 1   26    1  -32 o   33.760   1.1632  153.763   10.548  156.661   14.930  150.875   14.903   34.001   1.6348   33.362   1.6631 0.6390572 2.332087 
1 1 1   26    1  -31 o   19.843   1.6147   53.657   8.5307   53.539   12.365   53.765   11.784   19.652   2.3920   19.726   2.2654 -0.7373810E-01 3.294452 
1 1 1   26    1  -30 o   5.8067   2.5385  -1.4572   7.5112  -7.9136   11.023   4.1387   10.262   6.2250   2.8644   7.8507   3.1637 -1.625704 4.267760 
1 1 1   26    1  -29 o   18.588   1.6548   47.128   8.1755   51.362   11.835   43.263   11.307   19.273   2.3339   17.637   2.4532 1.635824 3.386090 
1 1 1   26    1  -28 o   30.314   1.1953  123.893   9.7326  124.256   13.837  123.539   13.692   30.249   1.7101   30.164   1.6969 0.8516884E-01 2.409111 
1 1 1   26    1  -27 o   41.173   1.0523  228.328   11.637  213.283   16.237  244.218   16.687   39.730   1.5216   42.524   1.4610 -2.793816 2.109480 
1 1 1   26    1  -26 o   8.9821   3.2801   9.1811   10.299  -7.6211   14.134   28.206   15.040   7.3172   3.3196   14.006   3.8696 -6.688500 5.098393 
1 1 1   26    1  -25 o   5.1012   2.3364  -4.9672   7.2192 -14.3438   9.8664   5.8372   10.591   5.1179   2.4595   8.3119   3.2579 -3.193933 4.082074 
1 1 1   26    1  -24 o   19.248   1.5426   50.345   7.9077   46.765   11.373   53.696   11.003   18.398   2.3555   19.786   2.1026 -1.387932 3.157375 
1 1 1   26    1  -23 o   35.971   1.0480  174.188   10.125  173.817   14.390  174.552   14.250   35.888   1.4928   35.966   1.4751 -0.7788849E-01 2.098657 
1 1 1   26    1  -22 o   57.088   1.1154  438.798   17.102  439.104   21.139  438.218   29.097   57.069   1.3791   56.910   1.9035 0.1585960 2.350612 
1 1 1   26    1  -21 o   16.398   2.4960   37.348   10.646   35.531   14.567   39.431   15.598   15.778   3.5261   16.622   3.5980 -0.8440437 5.037789 
1 1 1   26    1  -20 o   47.256   0.9599  300.396   12.184  316.640   17.380  284.700   17.085   48.479   1.3348   45.963   1.3839 2.515575 1.922754 
1 1 1   26    1  -19 o   18.469   1.5768   46.334   7.7472   49.354   10.983   43.344   10.930   18.969   2.1962   17.731   2.3531 1.237837 3.218772 
1 1 1   26    1  -18 o   61.327   0.9615  505.823   15.837  487.495   22.234  524.702   22.565   60.159   1.3760   62.417   1.3460 -2.257557 1.924824 
1 1 1   26    1  -17 o   14.484   1.9036   28.805   7.2262   37.079   10.357   20.957   10.087   16.372   2.4291   12.173   3.0820 4.198240 3.924177 
1 1 1   26    1  -16 o   34.457   1.0323  159.691   9.5539  153.947   13.590  165.303   13.434   33.804   1.4968   35.034   1.4277 -1.229656 2.068456 
1 1 1   26    1  -15 o   49.476   0.9409  329.132   12.503  341.431   17.887  317.382   17.484   50.363   1.3223   48.555   1.3406 1.807617 1.883048 
1 1 1   26    1  -14 o   78.057   1.0189  819.330   21.362  805.973   30.079  832.922   30.343   77.366   1.4475   78.650   1.4364 -1.284386 2.039234 
1 1 1   26    1  -13 o   25.970   1.1790   90.731   8.2237   86.625   11.384   95.210   11.892   25.298   1.6851   26.528   1.6777 -1.230120 2.377853 
1 1 1   26    1  -12 o   58.586   0.7523  461.253   11.837  461.862   15.838  460.482   17.817   58.609   1.0061   58.512   1.1337 0.9709549E-01 1.515753 
1 1 1   26    1  -11 o   36.718   0.7014  181.166   6.9179  179.187   9.7655  183.160   9.8013   36.507   0.9959   36.910   0.9887 -0.4027977 1.403334 
1 1 1   26    1  -10 f   47.997   0.7062  309.553   9.1045  307.935   12.866  311.177   12.885   47.858   1.0009   48.110   0.9972 -0.2514763 1.412873 
1 1 1   26    1   -9 o   51.914   0.8998  362.248   12.547  371.381   20.409  356.700   15.908   52.527   1.4466   51.500   1.1500 1.027168 1.848016 
1 1 1   26    1   -8 o   41.877   0.8188  235.677   9.2095  242.247   13.670  230.218   12.462   42.439   1.1993   41.376   1.1213 1.063061 1.641850 
1 1 1   26    1   -7 o   47.352   0.8157  301.326   10.374  308.137   14.085  293.250   15.337   47.871   1.0954   46.693   1.2229 1.177837 1.641827 
1 1 1   26    1   -6 o   22.881   1.0478   70.389   6.4395   60.783   8.6485   82.340   9.6466   21.194   1.5295   24.691   1.4611 -3.496950 2.115234 
1 1 1   26    1   -5 o   69.677   0.9041  652.537   16.919  659.500   25.402  646.984   22.684   70.012   1.3508   69.357   1.2177 0.6555176 1.818637 
1 1 1   26    1   -4 o   59.915   0.7400  482.362   11.908  494.535   16.950  470.497   16.733   60.650   1.0405   59.157   1.0531 1.493225 1.480443 
1 1 1   26    1   -3 o   45.772   0.7556  281.520   9.2890  277.379   12.587  286.472   13.765   45.423   1.0317   46.158   1.1103 -0.7346992 1.515647 
1 1 1   26    1   -2 o   63.827   0.7787  547.438   13.350  548.726   19.703  546.345   18.152   63.880   1.1484   63.747   1.0602 0.1325912 1.562924 
1 1 1   26    1   -1 o   58.137   0.7352  454.145   11.480  454.685   16.240  453.605   16.231   58.156   1.0397   58.087   1.0404 0.6916809E-01 1.470811 
1 1 1   26    1    0 o   40.542   0.7400  220.856   8.0579  219.598   11.374  222.125   11.417   40.415   1.0478   40.647   1.0457 -0.2319679 1.480367 
1 1 1   26    1    1 o   66.297   0.7959  590.638   14.173  596.410   19.222  583.764   20.979   66.603   1.0745   65.885   1.1855 0.7180099 1.600013 
1 1 1   26    1    2 o   78.743   0.9487  833.445   20.064  828.578   26.824  839.627   30.230   78.485   1.2725   78.991   1.4249 -0.5055237 1.910336 
1 1 1   26    1    3 o   62.178   0.8196  519.553   13.687  516.641   17.761  523.811   21.478   61.989   1.0667   62.402   1.2814 -0.4130287 1.667336 
1 1 1   26    1    4 o   85.620   0.9276  985.353   21.333  974.431   27.494  1001.87   33.815   85.120   1.2026   86.280   1.4592 -1.160767 1.890884 
1 1 1   26    1    5 o   41.918   0.8120  236.128   9.1423  227.814   11.930  247.957   14.230   41.163   1.0791   42.936   1.2340 -1.773441 1.639221 
1 1 1   26    1    6 o   57.624   0.8149  446.232   12.612  455.857   17.920  436.785   17.754   58.222   1.1459   56.991   1.1598 1.231869 1.630435 
1 1 1   26    1    7 o   94.152   1.0908  1191.96   27.585  1211.00   39.341  1173.54   38.688   94.842   1.5444   93.364   1.5428 1.477913 2.182963 
1 1 1   26    1    8 o   22.181   1.0639   66.154   6.3381   65.738   8.7717   66.608   9.1683   22.049   1.4899   22.189   1.5481 -0.1400585 2.148605 
1 1 1   26    1    9 o   31.537   0.8701  133.681   7.3706  130.258   10.435  137.090   10.413   31.117   1.2485   31.924   1.2143 -0.8070984 1.741657 
1 1 1   26    1   10 f   35.095   0.8497  165.537   8.0097  157.978   11.211  173.419   11.448   34.270   1.2180   35.907   1.1870 -1.637318 1.700711 
1 1 1   26    1   11 o   15.620   1.4104   33.108   5.8536   35.913   8.2265   30.232   8.3311   16.206   1.9278   14.812   2.1575 1.393881 2.893333 
1 1 1   26    1   12 o   62.801   0.8019  530.067   13.526  536.530   19.935  524.553   18.413   63.155   1.1752   62.453   1.0977 0.7023659 1.608150 
1 1 1   26    1   13 o   90.202   0.9217  1093.83   22.331  1090.78   32.941  1096.43   30.377   90.021   1.3624   90.269   1.2529 -0.2486725 1.850918 
1 1 1   26    1   14 o   51.124   0.7868  351.281   10.804  358.886   15.877  344.722   14.745   51.652   1.1444   50.626   1.0844 1.025230 1.576596 
1 1 1   26    1   15 o   48.794   0.9276  320.104   12.157  319.767   16.927  320.463   17.470   48.742   1.2930   48.791   1.3331 -0.4953384E-01 1.857120 
1 1 1   26    1   16 o   27.747   0.9716  103.533   7.2410  108.404   10.176   98.536   10.306   28.376   1.3351   27.011   1.4256 1.364304 1.953185 
1 1 1   26    1   17 o   96.573   1.0091  1254.38   26.173  1269.71   37.115  1239.21   36.915   97.088   1.4233   95.913   1.4330 1.175209 2.019688 
1 1 1   26    1   18 o   28.512   0.9682  109.335   7.4145  112.297   10.437  106.317   10.536   28.876   1.3457   28.093   1.3963 0.7824574 1.939153 
1 1 1   26    1   19 o   20.830   1.1989   58.601   6.6791   66.215   8.9957   49.247   9.9707   22.109   1.5241   18.985   1.9847 3.124462 2.502406 
1 1 1   26    1   20 o   27.728   0.9755  103.428   7.2647   93.305   9.8107  115.717   10.809   26.275   1.3951   29.304   1.3734 -3.028381 1.957688 
1 1 1   26    1   21 o   32.057   0.8952  138.223   7.7083  139.835   10.328  136.195   11.581   32.224   1.1933   31.789   1.3564 0.4348946 1.806614 
1 1 1   26    1   22 o   6.0372   2.3734   2.8642   5.6362   6.5304   7.5727  -1.6886   8.4389   7.6823   2.8115   6.1598   2.6918 1.522469 3.892340 
1 1 1   26    1   23 o   12.533   1.8088   21.675   5.9125   34.294   8.1631   7.7498   8.5751   15.794   1.9669   8.2541   2.9962 7.540061 3.584095 
1 1 1   26    1   24 o   11.244   2.0462   17.663   5.9518   20.748   7.9957   13.830   8.9131   12.120   2.5376   10.009   3.0444 2.111016 3.963295 
1 1 1   26    1   25 o   42.472   0.8282  242.655   9.4473  250.766   12.881  233.214   13.897   43.147   1.1115   41.594   1.2440 1.553158 1.668231 
1 1 1   26    1   26 o   24.945   1.3002   84.151   8.6814   87.367   11.149   79.198   13.836   25.366   1.6453   24.047   2.1654 1.319460 2.719545 
1 1 1   26    1   27 o   22.356   1.1815   67.551   7.0691   60.918   9.2969   76.642   10.884   21.159   1.6489   23.736   1.7189 -2.576504 2.381860 
1 1 1   26    1   28 o   16.782   1.5121   38.361   6.7422   44.125   9.0120   31.033   10.161   17.940   1.8991   14.849   2.6446 3.091541 3.255888 
1 1 1   26    1   29 o   11.966   1.9553   19.929   6.0673   26.724   8.3848   12.461   8.7904   13.816   2.3433   9.5725   3.0414 4.243361 3.839387 
1 1 1   26    1   30 o   18.874   1.4032   48.384   7.0625   47.071   9.6971   49.867   10.306   18.511   1.9811   19.045   2.0470 -0.5336266 2.848692 
1 1 1   26    1   31 o   44.256   0.8899  263.691   10.578  259.639   14.163  268.802   15.907   43.869   1.2020   44.614   1.3275 -0.7449417 1.790837 
1 1 1   26    1   32 o   8.4104   2.9194   8.8841   8.0603   29.381   12.260  -6.7206   10.697   14.267   3.2694   6.2432   2.8537 8.023426 4.339720 
1 1 1   26    1   33 o   6.6727   2.5808   4.0539   6.5779   8.6884   9.9022   0.3936   8.8001   8.7310   3.2120   6.6320   2.8216 2.099038 4.275289 
1 1 1   26    1   34 o   44.428   0.9136  265.937   10.902  279.243   14.942  250.788   15.943   45.467   1.2235   43.055   1.3787 2.412373 1.843281 
1 1 1   26    1   35 o   17.522   1.5982   41.999   7.4387   45.645   9.7774   36.990   11.462   18.173   2.0383   16.144   2.7414 2.028740 3.416078 
1 1 1   26    1   36 o   37.971   1.1078  194.656   11.298  183.313   17.211  203.245   14.976   36.704   1.7458   38.729   1.4397 -2.024746 2.262908 
1 1 1   26    1   37 o   22.217   1.3446   67.062   7.9857   55.857   12.015   75.928   10.688   20.046   2.2717   23.568   1.6999 -3.521988 2.837311 
1 1 1   26    1   38 o   23.198   1.2317   72.972   7.6470   76.632   10.795   69.285   10.834   23.672   1.7094   22.477   1.8099 1.194426 2.489495 
1 1 1   26    1   39 o   41.459   0.9533  231.805   10.616  236.025   15.054  227.630   14.972   41.750   1.3425   40.996   1.3597 0.7535439 1.910805 
1 1 1   26    1   40 o   45.222   0.9319  275.760   11.319  284.624   15.120  264.459   17.073   45.875   1.2271   44.162   1.4394 1.712994 1.891429 
1 1 1   26    1   41 o   24.863   1.3503   83.996   8.9835   85.468   13.437   82.807   12.081   24.901   2.0266   24.562   1.8446 0.3389416 2.740377 
1 1 1   26    1   42 o   21.417   1.4626   62.567   8.3632   77.986   12.737   50.881   11.088   23.767   2.0142   19.107   2.2008 4.659397 2.983401 
1 1 1   26    1   43 o   10.744   2.8516   16.800   8.3657   7.7601   12.053   25.202   11.620   8.8950   3.4786   13.049   3.3103 -4.153996 4.801950 
1 1 1   26    1   44 o   14.759   2.2134   30.779   8.5036   25.098   11.854   36.801   12.205   12.962   3.3726   15.887   2.9696 -2.924903 4.493637 
1 1 1   26    1   45 o   11.688   3.2385   20.421   10.518   16.940   12.261   30.117   20.463   10.832   3.6032   13.905   4.6556 -3.072565 5.887096 
1 1 1   26    1   46 o   4.9033   2.3601 -12.7312   9.1697   4.3689   11.654 -40.5245   14.858   8.0347   3.3205   5.0250   2.5218 3.009696 4.169565 
1 1 1   26    1   47 o   28.644   1.3866  112.242   10.668  108.500   14.410  116.780   15.869   27.860   1.9378   28.834   2.0626 -0.9738216 2.830089 
1 1 1   26    1   48 o   7.3257   3.0082   4.0343   9.4867   7.5690   12.522  -0.7282   14.535   8.6755   3.4952   7.8669   3.4815 0.8086529 4.933300 
1 1 1   26    1   49 o   22.779   1.7577   72.744   10.671   59.054   16.544   82.497   13.964   19.545   3.2669   23.995   2.1909 -4.450039 3.933497 
1 1 1   26    2  -44 o   11.281   4.3114   16.076   18.208   0.0000   0.0000   16.076   18.208  ?   ?    11.281   4.3114 0.000000 4.311444 
1 1 1   26    2  -43 o   11.090   3.5460   17.817   11.935   18.755   16.416   16.766   17.383   11.659   4.1562   11.395   4.2435 0.2634954 5.939846 
1 1 1   26    2  -42 o   14.728   3.3210   32.070   12.824   34.962   17.897   29.019   18.385   15.113   4.2377   13.879   4.3972 1.234565 6.106868 
1 1 1   26    2  -41 o   33.484   1.2623  151.845   11.353  151.295   15.856  152.423   16.263   33.240   1.7824   33.350   1.8225 -0.1094742 2.549218 
1 1 1   26    2  -40 o   7.3537   2.9264   4.3253   8.6655  -6.9088   12.060   16.318   12.460   6.6451   3.0346   10.869   3.6329 -4.224312 4.733540 
1 1 1   26    2  -39 o   6.7493   2.8323   1.4106   8.6700   12.048   12.149  -9.6293   12.377   9.8645   3.5685   6.4480   2.9910 3.416483 4.656195 
1 1 1   26    2  -38 o   51.603   1.0696  359.548   14.825  366.570   20.941  352.492   20.991   51.970   1.5002   50.950   1.5339 1.019920 2.145553 
1 1 1   26    2  -37 f   13.950   2.9858   28.164   10.850   33.086   13.600   19.548   17.994   15.011   3.4460   12.158   4.3497 2.852749 5.549302 
1 1 1   26    2  -36 o   10.396   3.1055   15.397   9.3366   11.252   14.961   18.040   11.949   10.207   3.9065   11.272   3.5417 -1.065162 5.272966 
1 1 1   26    2  -35 o   16.184   2.1272   36.454   9.0225   59.942   13.082   15.143   12.461   20.739   2.3924   10.631   3.6326 10.10746 4.349602 
1 1 1   26    2  -34 f   10.676   2.8961   16.379   8.5154   14.848   11.991   17.937   12.095   10.518   3.5635   11.279   3.5659 -0.7610359 5.041261 
1 1 1   26    2  -33 f   18.655   2.5103   48.699   12.259   47.756   17.507   49.607   17.171   18.069   3.7308   18.474   3.5900 -0.4045086 5.177496 
1 1 1   26    2  -32 o   29.113   1.2863  114.524   10.058  116.696   13.907  112.142   14.564   29.254   1.7783   28.644   1.9039 0.6103153 2.605262 
1 1 1   26    2  -31 o   37.746   1.0898  192.134   11.049  186.330   15.540  198.067   15.712   37.092   1.5598   38.248   1.5295 -1.156544 2.184556 
1 1 1   26    2  -30 o   33.038   1.1531  147.229   10.233  153.022   14.598  141.632   14.349   33.612   1.6170   32.288   1.6602 1.323921 2.317474 
1 1 1   26    2  -29 o   36.869   1.1012  183.242   10.905  183.959   15.538  182.545   15.309   36.870   1.5691   36.731   1.5518 0.1388702 2.206783 
1 1 1   26    2  -28 o   20.645   1.5395   57.955   8.4754   40.372   11.838   76.445   12.140   16.963   2.6879   23.653   1.9276 -6.689449 3.307650 
1 1 1   26    2  -27 o   46.882   1.0071  296.019   12.681  279.189   17.792  313.395   18.079   45.458   1.4572   48.174   1.3972 -2.715969 2.018845 
1 1 1   26    2  -26 o   25.706   1.3485   89.427   9.2779   80.603   12.994   98.604   13.252   24.284   2.0102   26.910   1.8446 -2.625700 2.728280 
1 1 1   26    2  -25 o   35.333   1.5509  168.728   14.719  164.161   20.667  173.428   20.967   34.665   2.2315   35.642   2.2009 -0.9768562 3.134279 
1 1 1   26    2  -24 o   43.995   1.0016  260.599   11.835  254.813   16.567  266.629   16.913   43.448   1.4196   44.444   1.4169 -0.9963989 2.005712 
1 1 1   26    2  -23 o   44.934   0.9883  271.800   11.928  282.587   16.938  261.188   16.800   45.766   1.3779   43.992   1.4218 1.773426 1.979958 
1 1 1   26    2  -22 o   43.750   0.9959  257.648   11.703  257.932   16.280  257.345   16.834   43.728   1.3861   43.671   1.4352 0.5681992E-01 1.995291 
1 1 1   26    2  -21 o   34.772   1.0993  162.811   10.267  172.918   14.023  151.133   15.074   35.799   1.4584   33.401   1.6857 2.398708 2.229024 
1 1 1   26    2  -20 o   32.550   1.5210  142.972   13.298  127.034   18.700  159.275   18.913   30.505   2.2993   34.226   2.0671 -3.720921 3.091810 
1 1 1   26    2  -19 o   48.817   1.1035  320.799   14.469  326.692   25.071  317.857   17.717   49.149   1.8992   48.563   1.3583 0.5859184 2.334910 
1 1 1   26    2  -18 o   36.732   1.0179  181.539   10.042  190.346   14.405  173.211   14.007   37.578   1.4272   35.844   1.4549 1.733891 2.038025 
1 1 1   26    2  -17 o   36.910   1.0174  183.281   10.086  168.346   14.165  198.639   14.364   35.338   1.4924   38.395   1.3929 -3.057407 2.041424 
1 1 1   26    2  -16 o   34.577   1.0360  160.842   9.6213  167.101   13.680  154.715   13.534   35.214   1.4463   33.881   1.4873 1.333469 2.074577 
1 1 1   26    2  -15 o   32.650   1.0685  143.413   9.3699  131.748   13.196  155.277   13.307   31.222   1.5787   33.948   1.4594 -2.725769 2.149923 
1 1 1   26    2  -14 o   51.100   0.9511  351.140   13.054  328.523   18.242  374.882   18.690   49.391   1.3751   52.767   1.3187 -3.375793 1.905189 
1 1 1   26    2  -13 o   64.860   0.9591  565.679   16.708  576.756   23.856  555.015   23.406   65.449   1.3571   64.204   1.3573 1.245445 1.919357 
1 1 1   26    2  -12 o   4.2157   1.7055   0.9894   2.9950   1.9298   4.0024  -0.2073   4.5149   5.0684   1.9977   4.7009   2.0110 0.3675714 2.834574 
1 1 1   26    2  -11 o   29.755   1.2062  119.128   9.6396  122.850   12.772  114.199   14.694   30.155   1.5824   29.032   1.8948 1.122904 2.468678 
1 1 1   26    2  -10 o   38.758   0.7265  201.867   7.5626  197.891   10.794  205.699   10.598   38.360   1.0477   39.112   1.0089 -0.7514458 1.454474 
1 1 1   26    2   -9 o  109.590   1.0804  1615.19   31.801  1600.61   44.627  1630.22   45.328  109.017   1.5241  110.019   1.5340 -1.001472 2.162366 
1 1 1   26    2   -8 f   45.796   0.7775  281.853   9.5631  283.289   13.856  280.546   13.216   45.894   1.1240   45.674   1.0773 0.2199440 1.556908 
1 1 1   26    2   -7 o   17.681   1.1429   42.223   5.3985   40.018   8.3725   43.791   7.0627   17.129   1.8491   17.975   1.4759 -0.8452339 2.365924 
1 1 1   26    2   -6 o   51.068   0.8452  350.529   11.593  346.915   17.335  353.453   15.594   50.778   1.2710   51.264   1.1325 -0.4861069 1.702374 
1 1 1   26    2   -5 o   88.794   0.9040  1059.81   21.560  1053.71   29.213  1067.11   31.950   88.503   1.2289   89.050   1.3358 -0.5473404 1.815112 
1 1 1   26    2   -4 f   72.427   0.9038  705.122   17.581  720.866   23.877  686.477   25.983   73.204   1.2143   71.423   1.3545 1.781822 1.819126 
1 1 1   26    2   -3 o  106.312   1.0588  1519.73   30.233  1499.65   38.831  1550.64   48.175  105.563   1.3695  107.288   1.6718 -1.724754 2.161125 
1 1 1   26    2   -2 o   94.579   0.9387  1202.47   23.846  1198.02   32.207  1207.87   35.474   94.366   1.2707   94.736   1.3942 -0.3700790 1.886365 
1 1 1   26    2   -1 o   63.889   0.8251  548.575   14.159  528.645   19.627  570.201   20.446   62.694   1.1656   65.111   1.1691 -2.417290 1.650867 
1 1 1   26    2    0 o   65.590   0.7616  578.119   13.418  573.427   18.959  582.826   18.992   65.303   1.0809   65.836   1.0740 -0.5335083 1.523796 
1 1 1   26    2    1 o   30.437   0.9346  124.528   7.6407  121.312   10.781  127.774   10.830   30.026   1.3368   30.816   1.3085 -0.7905121 1.870615 
1 1 1   26    2    2 o   59.771   0.7506  480.072   12.050  486.626   17.018  473.483   17.064   60.159   1.0532   59.340   1.0706 0.8191566 1.501816 
1 1 1   26    2    3 o   86.226   0.8945  999.364   20.717  1009.65   28.143  987.201   30.608   86.637   1.2094   85.654   1.3304 0.9830475 1.797987 
1 1 1   26    2    4 f   23.832   0.9921   76.357   6.3502   78.832   8.6175   73.415   9.3939   24.168   1.3327   23.303   1.5090 0.8647995 2.013244 
1 1 1   26    2    5 o   19.095   1.1848   49.232   6.0466   45.355   8.0384   54.286   9.1767   18.275   1.6557   19.998   1.7253 -1.723537 2.391246 
1 1 1   26    2    6 o   21.939   1.1420   64.911   6.7061   64.951   8.8052   64.855   10.348   21.912   1.5053   21.864   1.7775 0.4746246E-01 2.329249 
1 1 1   26    2    7 o   56.604   0.7765  430.587   11.805  440.062   16.069  419.476   17.401   57.207   1.0458   55.845   1.1601 1.362309 1.561890 
1 1 1   26    2    8 f   46.987   0.7783  296.704   9.8217  303.647   13.409  288.665   14.427   47.519   1.0506   46.325   1.1595 1.193729 1.564666 
1 1 1   26    2    9 o   29.615   0.8821  117.899   7.0170  114.286   9.6055  122.033   10.275   29.145   1.2271   30.115   1.2703 -0.9696484 1.766195 
1 1 1   26    2   10 o   39.521   0.8058  209.924   8.5532  216.650   11.703  202.211   12.532   40.135   1.0856   38.768   1.2035 1.367050 1.620796 
1 1 1   26    2   11 o   40.570   0.8059  221.230   8.7815  219.617   11.806  223.229   13.138   40.408   1.0878   40.732   1.2009 -0.3241692 1.620332 
1 1 1   26    2   12 o   69.001   0.8234  639.986   15.260  624.802   20.452  659.056   22.920   68.151   1.1173   69.984   1.2194 -1.832062 1.653856 
1 1 1   26    2   13 o   72.079   0.8371  698.410   16.205  706.040   22.046  689.440   23.903   72.442   1.1330   71.573   1.2434 0.8697662 1.682190 
1 1 1   26    2   14 o   69.646   0.9201  652.209   17.211  662.623   23.213  639.494   25.649   70.165   1.2317   68.909   1.3858 1.255722 1.854061 
1 1 1   26    2   15 o   37.308   0.8348  187.129   8.3656  185.928   11.228  188.627   12.542   37.172   1.1246   37.433   1.2475 -0.2604713 1.679559 
1 1 1   26    2   16 o   28.108   0.9473  106.259   7.1519  101.482   9.6401  112.107   10.666   27.451   1.3075   28.848   1.3766 -1.396904 1.898532 
1 1 1   26    2   17 o   34.800   0.8711  162.847   8.1417  157.948   10.998  168.787   12.110   34.252   1.1955   35.402   1.2735 -1.149891 1.746742 
1 1 1   26    2   18 o   16.783   1.3621   38.204   6.0871   45.679   8.2421   29.234   9.0286   18.318   1.6944   14.491   2.4040 3.827010 2.941149 
1 1 1   26    2   19 o   56.723   0.8791  432.745   13.393  428.402   17.926  438.232   20.148   56.403   1.1833   57.028   1.3154 -0.6250725 1.769316 
1 1 1   26    2   20 o   53.668   0.8145  387.343   11.741  383.636   15.713  392.029   17.665   53.381   1.0959   53.946   1.2192 -0.5647697 1.639353 
1 1 1   26    2   21 o   51.006   0.8681  349.967   11.892  342.628   15.107  361.926   19.284   50.441   1.1151   51.804   1.3859 -1.362564 1.778821 
1 1 1   26    2   22 o   62.489   0.8807  525.359   14.782  535.918   18.918  508.804   23.686   63.080   1.1166   61.405   1.4362 1.674362 1.819134 
1 1 1   26    2   23 o   16.186   1.5964   35.739   6.8499   39.540   8.5296   28.835   11.495   16.981   1.9029   14.224   3.0967 2.756410 3.634673 
1 1 1   26    2   24 o   39.761   0.8601  212.719   9.1853  220.316   12.520  203.863   13.517   40.435   1.1528   38.879   1.2944 1.556278 1.733365 
1 1 1   26    2   25 o   26.008   1.0518   91.106   7.3474   91.696   9.8104   90.353   11.088   26.024   1.4087   25.801   1.6081 0.2235336 2.137862 
1 1 1   26    2   26 o   81.863   1.0714  902.834   23.558  893.110   29.539  919.825   39.048   81.346   1.3520   82.409   1.7641 -1.063309 2.222606 
1 1 1   26    2   27 o   26.860   1.1013   97.223   7.9451   91.925   10.269  105.126   12.541   26.042   1.4742   27.816   1.6865 -1.774698 2.239984 
1 1 1   26    2   28 o   64.264   0.8668  555.854   14.962  564.294   19.991  545.105   22.560   64.695   1.1504   63.546   1.3218 1.149277 1.752344 
1 1 1   26    2   29 o   7.7929   2.5466   8.0351   6.1344   5.3282   8.4673   11.025   8.8995   7.5871   2.9298   9.1686   3.0702 -1.581496 4.243832 
1 1 1   26    2   30 o   4.9138   2.2462  -4.3461   6.6285 -18.9298   9.8435   7.7532   8.9659   4.7093   2.3067   8.3062   3.0563 -3.596870 3.829068 
1 1 1   26    2   31 o   21.145   1.2856   60.611   7.2666   56.912   10.755   63.718   9.8566   20.352   1.9931   21.606   1.7125 -1.254198 2.627733 
1 1 1   26    2   32 o   16.830   1.5811   38.721   7.0635   39.058   10.316   38.425   9.6915   16.727   2.3620   16.623   2.2266 0.1036968 3.246048 
1 1 1   26    2   33 f   13.526   2.0110   25.483   7.0837   28.245   10.248   22.956   9.8029   14.051   2.8135   12.616   2.9462 1.434247 4.073838 
1 1 1   26    2   34 f   28.043   1.1553  106.209   8.7017  125.778   13.256   91.393   11.535   30.391   1.6299   25.883   1.6681 4.507616 2.332216 
1 1 1   26    2   35 o   32.045   1.0918  138.639   9.3971  146.413   13.120  130.451   13.466   32.858   1.4867   30.945   1.6258 1.913239 2.203044 
1 1 1   26    2   36 o   34.559   1.0134  161.143   9.4067  151.910   13.850  169.048   12.816   33.452   1.5415   35.332   1.3505 -1.880711 2.049425 
1 1 1   26    2   37 f   23.633   1.2959   75.814   8.1941   80.620   12.202   71.866   11.058   24.230   1.8899   22.890   1.8136 1.340816 2.619283 
1 1 1   26    2   38 o   34.553   1.1582  161.352   10.748  159.590   17.878  162.350   13.451   34.112   1.9595   34.599   1.4474 -0.4870491 2.436145 
1 1 1   26    2   39 o   20.289   1.4822   56.149   8.0212   51.490   11.866   60.069   10.885   19.198   2.3503   20.870   1.9650 -1.672731 3.063467 
1 1 1   26    2   40 o   29.468   1.1042  117.323   8.7397  122.867   12.132  111.342   12.601   30.079   1.5017   28.556   1.6499 1.523703 2.230989 
1 1 1   26    2   41 o   21.558   1.5516   63.523   8.9241   61.397   13.244   65.292   12.078   20.941   2.3978   21.704   2.0981 -0.7624855 3.186131 
1 1 1   26    2   42 o   15.903   1.8384   35.060   7.7079   35.514   10.811   34.590   10.993   15.756   2.6486   15.514   2.7381 0.2417173 3.809484 
1 1 1   26    2   43 o   4.5692   2.2246 -14.9488   8.7620 -17.1044   11.071 -11.3345   14.335   5.2533   2.5443   6.8335   3.1863 -1.580204 4.077500 
1 1 1   26    2   44 o   15.918   2.0879   35.659   8.7113   37.016   12.013   34.154   12.652   15.899   2.9207   15.136   3.2114 0.7626066 4.340879 
1 1 1   26    2   45 o   15.969   2.1620   36.161   9.0348   37.224   12.597   35.035   12.966   15.809   3.0774   15.238   3.2661 0.5707483 4.487516 
1 1 1   26    2   46 o   36.279   1.3792  179.993   13.440  173.274   15.937  196.534   25.005   35.445   1.6741   37.061   2.5270 -1.616707 3.031217 
1 1 1   26    2   47 o   10.749   2.9661   17.574   8.8428   28.722   12.418   6.1083   12.595   13.541   3.4150   8.4372   3.4655 5.103642 4.865441 
1 1 1   26    2   48 o   11.627   3.0227   20.917   9.5273   33.241   12.834   5.7859   14.220   14.519   3.3578   8.6315   3.6250 5.887966 4.941186 
1 1 1   26    2   49 f   7.2976   2.9663   4.8371   9.1075  -7.4754   13.110   16.323   12.662   6.6059   3.0691   10.284   3.6519 -3.678144 4.770298 
1 1 1   26    3  -43 o   33.109   2.5832  155.320   22.790   0.0000   0.0000  155.320   22.790  ?   ?    33.109   2.5832 0.000000 2.583178 
1 1 1   26    3  -42 o   9.1992   3.5507   9.1259   12.432   17.923   17.530   0.2244   17.633   11.611   4.2733   8.9683   3.9058 2.642579 5.789330 
1 1 1   26    3  -41 o   33.237   1.7083  151.273   15.198  142.181   20.349  162.745   22.856   31.926   2.3904   34.102   2.5131 -2.176250 3.468355 
1 1 1   26    3  -40 o   19.740   1.8225   53.696   9.5538   43.927   13.113   64.747   13.948   17.494   2.8918   21.482   2.4617 -3.987740 3.797704 
1 1 1   26    3  -39 o   24.911   1.5271   84.631   10.168   80.633   13.902   89.230   14.911   24.126   2.1685   25.374   2.2100 -1.248125 3.096209 
1 1 1   26    3  -38 o   4.7363   2.2672 -11.0061   8.2021  -3.5819   11.259 -19.4005   11.972   6.8091   3.0359   5.4156   2.6283 1.393541 4.015598 
1 1 1   26    3  -37 o   11.056   2.8526   17.690   8.5273   38.093   11.680  -5.5944   12.478   16.343   2.7591   6.9454   3.1380 9.397680 4.178473 
1 1 1   26    3  -36 o   25.709   1.7069   90.378   11.719   98.059   14.415   75.407   20.127   26.688   2.0262   22.875   3.3774 3.813297 3.938567 
1 1 1   26    3  -35 f   5.4765   2.5445  -7.5027   9.0136  -1.4660   14.137 -11.6373   11.700   7.9828   3.4864   6.0104   2.8269 1.972366 4.488453 
1 1 1   26    3  -34 o   7.1333   2.8443   3.9190   8.2011   26.569   11.672 -18.1637   11.525   13.487   3.2587   5.3643   2.5976 8.122293 4.167319 
1 1 1   26    3  -33 o   13.898   2.4119   27.302   8.6767   12.149   11.940   44.260   12.631   9.8776   3.5421   17.677   2.7497 -7.798948 4.484157 
1 1 1   26    3  -32 o   12.143   3.4247   21.364   11.653   18.418   16.946   24.008   16.050   11.884   4.2243   12.940   4.1095 -1.056445 5.893468 
1 1 1   26    3  -31 o   12.027   2.6571   20.696   8.3545   12.990   11.701   28.708   11.932   10.063   3.5161   14.077   3.2250 -4.013725 4.771142 
1 1 1   26    3  -30 o   57.605   1.0208  447.324   15.795  448.847   22.339  445.802   22.335   57.595   1.4441   57.398   1.4488 0.1970863 2.045568 
1 1 1   26    3  -29 o   46.971   1.0219  297.354   12.893  311.375   18.458  283.996   18.016   47.984   1.4322   45.818   1.4640 2.165302 2.048031 
1 1 1   26    3  -28 o   38.934   1.0658  204.325   11.145  188.539   15.705  220.342   15.819   37.321   1.5667   40.367   1.4590 -3.046200 2.140898 
1 1 1   26    3  -27 o   10.050   2.7425   14.329   7.6092   0.9163   10.664   28.241   10.861   7.3720   3.1199   14.060   2.9690 -6.688487 4.306817 
1 1 1   26    3  -26 o   12.807   2.3608   23.069   7.8219   5.6075   11.137   40.067   10.988   8.3878   3.3239   16.948   2.4879 -8.560452 4.151887 
1 1 1   26    3  -25 f   41.045   1.0434  226.953   11.503  227.266   16.165  226.632   16.372   41.011   1.4675   40.950   1.4885 0.6087494E-01 2.090261 
1 1 1   26    3  -24 o   47.152   1.4231  300.262   18.023  278.510   25.058  323.576   25.942   45.274   2.0606   48.822   1.9783 -3.547855 2.856544 
1 1 1   26    3  -23 o   57.798   1.1382  450.184   17.670  450.564   21.491  449.391   31.041   57.774   1.3850   57.537   2.0086 0.2372055 2.439819 
1 1 1   26    3  -22 o   35.516   1.0567  169.883   10.080  153.755   13.899  187.773   14.639   33.734   1.5340   37.290   1.4616 -3.555805 2.118825 
1 1 1   26    3  -21 o   83.029   1.0683  928.427   23.824  929.031   33.679  927.823   33.707   82.940   1.5118   82.885   1.5141 0.5467224E-01 2.139640 
1 1 1   26    3  -20 o   39.672   1.0335  211.892   11.012  226.717   15.488  196.733   15.661   40.992   1.4067   38.170   1.5276 2.822559 2.076593 
1 1 1   26    3  -19 o   50.015   1.1188  336.884   15.030  331.325   18.545  347.525   25.655   49.563   1.3931   50.669   1.8851 -1.106171 2.344035 
1 1 1   26    3  -18 o   68.574   1.1420  633.266   21.033  633.527   35.886  633.129   25.960   68.407   1.9532   68.517   1.4106 -0.1104660 2.409301 
1 1 1   26    3  -17 o   27.852   1.3567  104.566   10.149   82.550   17.129  116.476   12.599   24.484   2.6468   29.331   1.6053 -4.846617 3.095542 
1 1 1   26    3  -16 o   19.349   1.5364   50.819   7.9191   49.377   11.131   52.296   11.268   18.959   2.2285   19.526   2.1861 -0.5676308 3.121728 
1 1 1   26    3  -15 o   12.070   2.2845   20.385   7.1348   23.375   10.159   17.475   10.023   12.838   3.0002   11.166   3.1855 1.671615 4.375927 
1 1 1   26    3  -14 o   15.550   1.9426   33.179   7.9363   31.205   10.244   36.143   12.552   14.939   2.6500   16.028   3.0268 -1.088582 4.022919 
1 1 1   26    3  -13 o   50.792   1.0234  347.058   13.962  354.327   21.650  341.883   18.268   51.262   1.5724   50.381   1.3500 0.8816071 2.072432 
1 1 1   26    3  -12 o   7.6722   1.6778   8.2483   3.3612   10.795   4.7953   5.7887   4.7126   8.7622   2.0704   6.7214   2.2338 2.040777 3.045723 
1 1 1   26    3  -11 o   20.807   0.8972   58.211   5.0143   53.061   7.1174   63.288   7.0656   19.805   1.3460   21.650   1.2200 -1.845175 1.816636 
1 1 1   26    3  -10 o   30.542   0.8238  125.400   6.7583  133.144   10.685  120.236   8.7252   31.450   1.2650   29.896   1.0866 1.554333 1.667571 
1 1 1   26    3   -9 o   80.267   0.8593  866.130   18.526  854.836   24.921  880.083   27.699   79.707   1.1641   80.860   1.2754 -1.153107 1.726722 
1 1 1   26    3   -8 o   15.905   1.1680   34.218   4.9548   31.453   6.9986   36.995   7.0158   15.173   1.7494   16.491   1.6042 -1.318401 2.373569 
1 1 1   26    3   -7 o   58.775   0.7710  464.289   12.171  450.755   17.950  475.804   16.558   57.883   1.1546   59.480   1.0364 -1.596863 1.551524 
1 1 1   26    3   -6 o   34.287   0.9319  158.055   8.5822  163.385   14.411  155.126   10.683   34.826   1.5407   33.956   1.1714 0.8694038 1.935396 
1 1 1   26    3   -5 o   19.974   1.0856   53.816   5.8023   52.078   8.5321   55.312   7.9141   19.591   1.6365   20.213   1.4677 -0.6227512 2.198225 
1 1 1   26    3   -4 o   36.884   0.7864  182.849   7.7903  183.787   11.753  182.113   10.404   36.961   1.1839   36.799   1.0527 0.1618767 1.584196 
1 1 1   26    3   -3 o   13.530   1.5573   24.984   5.5562   31.764   7.8878   18.306   7.8278   15.216   1.9767   11.402   2.6121 3.814199 3.275743 
1 1 1   26    3   -2 o   34.459   0.7904  159.594   7.3154  166.440   10.348  152.753   10.344   35.178   1.0951   33.698   1.1428 1.479668 1.582825 
1 1 1   26    3   -1 o   80.616   0.9079  873.670   19.657  875.232   25.425  871.351   30.995   80.660   1.1736   80.447   1.4345 0.2130814 1.853359 
1 1 1   26    3    0 o   75.136   0.9260  758.955   18.687  770.174   28.192  750.162   24.958   75.639   1.3877   74.667   1.2445 0.9716644 1.863962 
1 1 1   26    3    1 o   19.096   1.3620   49.335   6.9401   54.022   9.3099   43.473   10.412   19.942   1.7561   17.801   2.2263 2.140841 2.835545 
1 1 1   26    3    2 o   60.050   0.8292  484.687   13.374  490.999   17.254  475.186   21.168   60.423   1.0632   59.419   1.3263 1.004307 1.699848 
1 1 1   26    3    3 o   11.623   1.9299   18.707   5.8132   22.150   7.3157   12.810   9.5753   12.618   2.2407   9.8438   3.1792 2.773911 3.889502 
1 1 1   26    3    4 o   42.523   0.8394  243.051   9.5871  242.083   12.230  244.593   15.442   42.426   1.0732   42.627   1.3487 -0.2013054 1.723592 
1 1 1   26    3    5 o   35.358   0.9149  168.078   8.6889  170.133   11.449  165.288   13.344   35.560   1.1987   35.037   1.4180 0.5229645 1.856732 
1 1 1   26    3    6 o   24.065   1.1501   77.906   7.4339   82.691   9.2947   69.412   12.384   24.743   1.4044   22.579   2.0650 2.163834 2.497305 
1 1 1   26    3    7 o   35.704   0.9141  171.391   8.7657  174.704   10.760  164.854   15.116   36.038   1.1116   34.976   1.6090 1.062199 1.955671 
1 1 1   26    3    8 o   71.427   0.9189  685.942   17.630  696.807   21.692  664.799   30.259   71.970   1.1221   70.235   1.6040 1.735443 1.957564 
1 1 1   26    3    9 o   55.179   0.8334  409.289   12.351  416.298   15.935  398.740   19.549   55.632   1.0664   54.421   1.3374 1.210701 1.710530 
1 1 1   26    3   10 o   21.650   1.1524   63.249   6.6772   61.393   8.3802   66.477   11.050   21.297   1.4741   22.114   1.8782 -0.8166885 2.387575 
1 1 1   26    3   11 o   91.532   0.9796  1126.76   24.083  1129.93   31.016  1121.93   38.220   91.617   1.2604   91.235   1.5597 0.3823700 2.005297 
1 1 1   26    3   12 o   47.057   0.8445  297.709   10.673  298.459   13.632  296.519   17.157   47.100   1.0776   46.921   1.3614 0.1785965 1.736271 
1 1 1   26    3   13 o   21.537   1.3706   62.735   7.8872   60.195   9.6197   67.946   13.777   21.052   1.7162   22.275   2.3375 -1.223383 2.899903 
1 1 1   26    3   14 o   53.287   0.8500  381.810   12.166  385.877   15.550  375.392   19.535   53.550   1.0811   52.785   1.3779 0.7654076 1.751387 
1 1 1   26    3   15 o   99.135   1.0310  1322.37   27.453  1299.51   35.016  1358.83   44.227   98.213   1.3274  100.346   1.6410 -2.132874 2.110620 
1 1 1   26    3   16 o   99.106   1.0334  1321.75   27.509  1313.21   35.269  1335.00   43.958   98.720   1.3301   99.447   1.6457 -0.7270813 2.116039 
1 1 1   26    3   17 o   38.157   0.9048  195.849   9.2733  198.406   11.782  191.687   15.032   38.386   1.1428   37.697   1.4847 0.6895866 1.873547 
1 1 1   26    3   18 o   44.741   0.9382  269.332   11.275  275.434   14.134  258.655   18.695   45.222   1.1637   43.769   1.5903 1.453476 1.970579 
1 1 1   26    3   19 o   45.162   0.8852  274.388   10.737  284.457   13.667  258.152   17.355   45.960   1.1071   43.737   1.4774 2.223362 1.846168 
1 1 1   26    3   20 o   48.038   0.8862  310.480   11.435  316.455   14.459  300.503   18.684   48.473   1.1106   47.183   1.4743 1.289616 1.845785 
1 1 1   26    3   21 o   64.932   0.8995  567.348   15.687  562.336   19.892  575.592   25.513   64.605   1.1464   65.297   1.4547 -0.6926041 1.852126 
1 1 1   26    3   22 o   31.320   1.0261  132.091   8.6320  129.446   10.744  136.909   14.499   30.980   1.2911   31.765   1.7056 -0.7852230 2.139179 
1 1 1   26    3   23 o   29.755   0.9828  119.205   7.8541  119.456   10.436  118.878   11.927   29.757   1.3057   29.625   1.5039 0.1315689 1.991668 
1 1 1   26    3   24 o   44.272   0.8209  263.710   9.7617  265.431   13.579  261.870   14.043   44.378   1.1392   44.072   1.1863 0.3053322 1.644736 
1 1 1   26    3   25 f   38.678   0.9977  201.481   10.365  191.409   13.956  213.870   15.478   37.650   1.3800   39.787   1.4484 -2.136856 2.000568 
1 1 1   26    3   26 o   27.141   1.0403   99.242   7.5834   87.756   10.290  112.893   11.218   25.432   1.5133   28.904   1.4450 -3.471872 2.092410 
1 1 1   26    3   27 o   40.801   0.8713  224.095   9.5489  231.232   13.003  215.741   14.069   41.407   1.1691   39.975   1.3103 1.432594 1.756083 
1 1 1   26    3   28 o   55.845   0.8932  419.909   13.397  405.464   19.157  433.735   18.742   54.797   1.3016   56.691   1.2309 -1.894562 1.791456 
1 1 1   26    3   29 o   29.676   1.0367  118.707   8.2634  113.351   11.208  125.084   12.231   28.950   1.4414   30.403   1.4978 -1.452841 2.078759 
1 1 1   26    3   30 o   34.757   0.9569  162.773   8.9326  164.546   11.979  160.552   13.406   34.900   1.2779   34.445   1.4491 0.4551239 1.932055 
1 1 1   26    3   31 o   52.369   0.8354  369.298   11.750  369.296   16.445  369.299   16.795   52.301   1.1707   52.295   1.1957 0.5752563E-02 1.673399 
1 1 1   26    3   32 o   25.553   1.0978   88.124   7.5346   94.407   10.603   81.714   10.709   26.349   1.5044   24.478   1.6383 1.870491 2.224255 
1 1 1   26    3   33 o   8.0580   2.6917   8.5652   6.8400   14.649   9.9106   3.0308   9.4523   10.237   3.2269   7.3375   3.0067 2.899034 4.410569 
1 1 1   26    3   34 o   31.252   1.0767  131.861   9.0375  121.107   13.467  140.673   12.190   29.790   1.6900   32.219   1.4087 -2.429029 2.200089 
1 1 1   26    3   35 f   47.742   0.9661  307.444   12.388  304.821   19.977  309.083   15.792   47.369   1.5702   47.805   1.2299 -0.4358749 1.994509 
1 1 1   26    3   36 o   5.5349   2.4422  -1.8210   7.0999   3.4833   10.069  -7.0657   10.013   7.5974   3.1071   5.9132   2.7242 1.684131 4.132234 
1 1 1   26    3   37 o   25.486   1.2387   87.875   8.4790   86.976   12.262   88.698   11.737   25.184   1.8253   25.460   1.7266 -0.2767334 2.512482 
1 1 1   26    3   38 o   41.773   0.9326  235.348   10.464  238.142   14.955  232.669   14.646   41.929   1.3279   41.448   1.3156 0.4813156 1.869227 
1 1 1   26    3   39 o   14.698   1.9979   30.106   7.6828   19.232   11.395   39.168   10.403   11.515   3.4287   16.683   2.3898 -5.167965 4.179424 
1 1 1   26    3   40 o   14.656   2.1752   30.173   8.3031   26.824   11.425   33.923   12.088   13.512   3.1978   15.274   3.0533 -1.762496 4.421358 
1 1 1   26    3   41 o   37.461   1.0178  189.604   10.241  187.665   13.561  192.178   15.624   37.181   1.3579   37.565   1.5485 -0.3839531 2.059563 
1 1 1   26    3   42 o   60.744   0.9863  498.691   16.092  502.688   22.625  494.597   22.894   60.801   1.3854   60.294   1.4137 0.5066757 1.979371 
1 1 1   26    3   43 o   40.444   1.1396  221.793   12.379  228.522   16.213  212.385   19.170   40.920   1.4751   39.288   1.8167 1.632881 2.340141 
1 1 1   26    3   44 o   9.4310   3.0682   12.750   8.9083   14.555   12.355   10.795   12.856   10.219   3.6097   9.4908   3.6239 0.7281761 5.114960 
1 1 1   26    3   45 o   18.326   1.9796   47.284   9.5894   36.120   13.275   59.467   13.868   15.369   3.3134   20.254   2.6099 -4.885573 4.217816 
1 1 1   26    3   46 o   26.276   1.4520   95.127   10.208  107.090   14.562   83.569   14.313   27.593   1.9780   24.213   2.2258 3.379986 2.977671 
1 1 1   26    3   47 o   6.9839   2.9595   2.2705   9.6159  -2.9821   12.631   9.5109   14.830   7.0418   3.1716   9.3258   3.7873 -2.283979 4.939933 
1 1 1   26    3   48 o   11.724   3.0591   21.592   9.7347   11.165   14.987   29.202   12.804   9.5152   3.8272   13.391   3.5151 -3.876161 5.196507 
1 1 1   26    4  -42 o   12.298   4.7915   19.520   22.803   0.0000   0.0000   19.520   22.803  ?   ?    12.298   4.7915 0.000000 4.791518 
1 1 1   26    4  -41 o   43.464   1.5686  257.879   18.312  251.257   25.574  264.845   26.233   42.488   2.2490   43.626   2.2464 -1.138252 3.178697 
1 1 1   26    4  -40 o   12.194   3.4060   22.032   11.584   56.494   16.123 -14.7477   16.656   19.728   3.1485   7.2067   3.3842 12.52159 4.622357 
1 1 1   26    4  -39 o   13.051   2.7108   24.604   9.1917   22.025   12.742   27.402   13.272   12.230   3.6222   13.562   3.5881 -1.331671 5.098478 
1 1 1   26    4  -38 o   12.215   2.8198   21.646   9.0639   34.583   12.632   7.9187   13.013   15.400   3.1599   9.1618   3.6049 6.238625 4.793766 
1 1 1   26    4  -37 o   11.291   2.8870   18.503   8.7894   23.128   12.266   13.621   12.601   12.542   3.5053   10.265   3.6433 2.277818 5.055786 
1 1 1   26    4  -36 o   33.959   1.2421  156.066   11.330  137.979   15.726  175.586   16.336   31.732   1.8532   35.903   1.6941 -4.171293 2.510825 
1 1 1   26    4  -35 o   43.413   1.1975  254.894   13.963  246.486   18.162  267.046   21.835   42.577   1.5882   44.225   1.8382 -1.647865 2.429242 
1 1 1   26    4  -34 o   8.4413   3.2245   7.3921   10.181   48.042   17.826 -12.2888   12.404   18.001   3.8060   6.1815   2.9084 11.81909 4.790049 
1 1 1   26    4  -33 o   38.430   1.1432  199.565   11.800  201.848   16.592  197.227   16.786   38.536   1.6031   38.081   1.6411 0.4546127 2.294151 
1 1 1   26    4  -32 o   21.381   1.6173   62.463   9.2194   63.802   13.205   61.190   12.877   21.416   2.3334   20.971   2.3253 0.4453392 3.294230 
1 1 1   26    4  -31 o   9.3102   3.4136   10.221   11.171   2.7769   15.999   17.302   15.604   9.0762   3.8301   11.487   4.0568 -2.410928 5.579192 
1 1 1   26    4  -30 o   56.508   1.0074  430.590   15.290  427.140   21.575  434.072   21.673   56.164   1.4302   56.620   1.4251 -0.4555321 2.019027 
1 1 1   26    4  -29 o   11.748   2.6147   19.728   8.0381   14.142   11.243   25.568   11.496   10.280   3.4509   13.279   3.2496 -2.999156 4.740089 
1 1 1   26    4  -28 f   26.033   1.3293   91.824   9.2636   95.680   13.021   87.871   13.182   26.469   1.8430   25.335   1.9523 1.134638 2.684754 
1 1 1   26    4  -27 o   37.049   1.0708  185.060   10.656  201.637   15.182  168.967   14.959   38.608   1.4641   35.321   1.5767 3.286236 2.151678 
1 1 1   26    4  -26 o   20.720   1.5212   58.394   8.4064   69.662   11.961   47.396   11.817   22.545   1.9959   18.457   2.4438 4.088289 3.155321 
1 1 1   26    4  -25 o   27.509   1.2452  102.115   9.2001   91.180   13.013  113.045   13.009   25.847   1.8874   28.838   1.6869 -2.990480 2.531445 
1 1 1   26    4  -24 o   20.777   1.5095   58.672   8.3664   57.814   11.806   59.537   11.858   20.492   2.1783   20.804   2.1532 -0.3118935 3.062940 
1 1 1   26    4  -23 o   32.584   1.3087  143.296   11.454  136.660   19.339  146.882   14.215   31.579   2.2957   32.948   1.6063 -1.368856 2.801862 
1 1 1   26    4  -22 o   43.295   1.1778  252.719   13.696  248.497   16.759  261.213   23.768   42.888   1.4548   43.852   2.0180 -0.9634972 2.487729 
1 1 1   26    4  -21 o   48.835   1.1382  321.414   14.930  309.517   18.106  346.689   26.389   47.878   1.4079   50.548   1.9437 -2.670216 2.400050 
1 1 1   26    4  -20 o   6.6970   2.6579   3.3429   7.1306  -1.9256   10.116   8.5456   10.053   6.7325   2.9445   8.7730   3.2349 -2.040494 4.374345 
1 1 1   26    4  -19 o   37.544   1.0394  189.817   10.481  185.508   14.722  194.246   14.925   37.064   1.4789   37.929   1.4651 -0.8647423 2.081729 
1 1 1   26    4  -18 o   39.150   1.1814  206.532   12.423  204.340   15.112  211.101   21.818   38.909   1.4460   39.390   2.0695 -0.4816971 2.524625 
1 1 1   26    4  -17 o   25.774   1.3288   89.814   9.1677   91.652   12.377   87.579   13.646   25.968   1.7854   25.338   2.0219 0.6295338 2.697361 
1 1 1   26    4  -16 o   19.049   2.0690   49.753   10.415   85.630   25.984   42.886   11.368   24.507   4.0919   17.586   2.4753 6.920975 4.782363 
1 1 1   26    4  -15 o   28.771   1.3246  111.576   10.236   97.382   17.673  118.741   12.556   26.640   2.4991   29.615   1.5842 -2.974558 2.958949 
1 1 1   26    4  -14 o   46.509   1.0946  291.202   13.674  269.206   19.743  311.483   18.958   44.650   1.6463   48.055   1.4688 -3.404942 2.206228 
1 1 1   26    4  -13 o   59.719   0.9672  479.817   15.514  494.993   22.139  465.174   21.747   60.603   1.3601   58.746   1.3782 1.856590 1.936341 
1 1 1   26    4  -12 o   11.285   1.2864   17.375   3.8294   17.516   5.3798   17.230   5.4520   11.241   1.8460   11.139   1.8899 0.1019125 2.641809 
1 1 1   26    4  -11 o   32.925   0.7411  145.723   6.5537  149.695   9.4693  142.070   9.0798   33.354   1.0570   32.494   1.0404 0.8596230 1.483106 
1 1 1   26    4  -10 o   38.462   0.7861  198.872   8.1207  208.738   10.874  186.430   12.211   39.389   1.0278   37.211   1.2217 2.178040 1.596558 
1 1 1   26    4   -9 o  121.256   1.0613  1978.21   34.564  1960.76   48.725  1995.88   49.038  120.607   1.5041  121.684   1.5004 -1.076195 2.124532 
1 1 1   26    4   -8 o   12.285   2.0422   20.939   6.5019   17.646   10.164   23.219   8.4591   11.233   3.2090   12.864   2.5384 -1.630969 4.091593 
1 1 1   26    4   -7 o   92.122   0.9273  1141.23   22.945  1151.73   34.293  1132.71   30.875   92.470   1.3807   91.727   1.2532 0.7428970 1.864645 
1 1 1   26    4   -6 o   52.405   0.8091  369.182   11.389  370.112   16.255  368.285   15.963   52.444   1.1539   52.316   1.1360 0.1280060 1.619284 
1 1 1   26    4   -5 o   40.702   0.7769  222.684   8.4937  227.687   12.903  218.858   11.283   41.133   1.1679   40.336   1.0415 0.7970047 1.564799 
1 1 1   26    4   -4 o   80.992   0.8689  881.921   18.901  874.280   28.048  888.277   25.581   80.585   1.2959   81.246   1.1723 -0.6607666 1.747415 
1 1 1   26    4   -3 o   31.178   0.8645  130.690   7.2397  134.623   10.937  127.623   9.6587   31.623   1.2876   30.796   1.1677 0.8265553 1.738256 
1 1 1   26    4   -2 o   16.237   1.3658   35.750   5.9010   28.140   8.3406   43.376   8.3498   14.253   2.2537   17.846   1.7652 -3.592710 2.862679 
1 1 1   26    4   -1 o   36.240   0.7927  176.535   7.7158  172.292   10.923  180.760   10.900   35.785   1.1365   36.655   1.1072 -0.8705139 1.586627 
1 1 1   26    4    0 o   53.165   0.8815  380.018   12.588  384.198   16.967  374.900   18.774   53.433   1.1823   52.769   1.3246 0.6640587 1.775482 
1 1 1   26    4    1 o   28.111   0.9134  106.249   6.8962  104.328   10.061  107.953   9.4715   27.836   1.3456   28.320   1.2452 -0.4847240 1.833351 
1 1 1   26    4    2 o   36.591   0.7879  179.968   7.7433  186.748   10.967  173.227   10.935   37.258   1.0959   35.882   1.1346 1.376297 1.577424 
1 1 1   26    4    3 o   37.797   0.7828  192.030   7.9473  198.324   11.267  185.797   11.212   38.395   1.0925   37.161   1.1233 1.234207 1.566962 
1 1 1   26    4    4 o   69.240   0.7862  644.426   14.621  639.518   20.573  649.433   20.782   68.945   1.1110   69.477   1.1137 -0.5321121 1.573054 
1 1 1   26    4    5 o   31.459   1.0185  133.112   8.6059  134.085   12.408  132.211   11.947   31.547   1.4643   31.329   1.4197 0.2182655 2.039583 
1 1 1   26    4    6 o   42.580   0.7993  243.728   9.1409  243.609   12.388  243.869   13.543   42.553   1.0839   42.568   1.1846 -0.1523590E-01 1.605608 
1 1 1   26    4    7 o   42.985   0.8036  248.393   9.2780  250.078   12.600  246.398   13.712   43.113   1.0881   42.786   1.1932 0.3263626 1.614853 
1 1 1   26    4    8 o   66.651   0.8204  597.227   14.686  598.040   19.774  596.227   21.931   66.667   1.1043   66.551   1.2269 0.1163025 1.650701 
1 1 1   26    4    9 o   63.811   0.8489  547.472   14.550  540.199   18.688  558.666   23.185   63.360   1.0981   64.403   1.3403 -1.042637 1.732725 
1 1 1   26    4   10 o   25.339   1.0064   86.374   6.8493   90.963   9.2054   80.684   10.252   25.953   1.3250   24.410   1.5720 1.543575 2.055926 
1 1 1   26    4   11 o   29.312   0.9301  115.562   7.3229  122.312   9.9060  107.429   10.874   30.139   1.2237   28.195   1.4407 1.943872 1.890264 
1 1 1   26    4   12 o   18.893   1.3308   48.329   6.7101   45.491   9.4341   51.234   9.5460   18.238   1.9564   19.383   1.8563 -1.145294 2.696927 
1 1 1   26    4   13 o   46.838   0.8499  295.031   10.691  301.710   13.682  284.557   17.134   47.346   1.0759   45.946   1.3884 1.399643 1.756509 
1 1 1   26    4   14 o   31.233   0.9209  131.230   7.7251  128.499   10.285  134.763   11.701   30.885   1.2398   31.617   1.3779 -0.7322788 1.853602 
1 1 1   26    4   15 o   35.398   0.8754  168.551   8.3227  181.167   11.256  153.336   12.361   36.678   1.1426   33.724   1.3647 2.954479 1.779880 
1 1 1   26    4   16 o   72.837   0.8569  713.638   16.763  699.251   22.415  731.895   25.251   72.051   1.1583   73.690   1.2758 -1.639290 1.723143 
1 1 1   26    4   17 o   34.203   0.9467  157.429   8.6972  155.510   11.691  159.807   13.015   33.964   1.2816   34.417   1.4079 -0.4525185 1.903824 
1 1 1   26    4   18 o   61.531   0.8328  509.310   13.763  515.080   18.491  502.143   20.609   61.838   1.1133   61.031   1.2572 0.8067436 1.679298 
1 1 1   26    4   19 o   63.091   0.8378  535.517   14.198  535.757   19.081  535.220   21.250   63.060   1.1266   63.004   1.2558 0.5608368E-01 1.687040 
1 1 1   26    4   20 o   17.445   1.4199   41.356   6.5955   37.767   8.9312   45.660   9.7817   16.556   2.0525   18.231   2.0322 -1.674910 2.888349 
1 1 1   26    4   21 o   68.577   0.8579  632.843   15.802  635.677   21.256  629.342   23.628   68.675   1.1523   68.301   1.2880 0.3738251 1.728224 
1 1 1   26    4   22 o   16.204   1.5315   35.804   6.5864   33.518   8.7733   38.755   9.9703   15.554   2.1582   16.718   2.2798 -1.164055 3.139306 
1 1 1   26    4   23 o   11.038   2.2052   17.162   6.3088   18.230   8.4381   15.808   9.5001   11.304   2.7949   10.604   3.1241 0.7006578 4.191863 
1 1 1   26    4   24 o   56.621   0.9472  431.702   14.405  432.419   19.103  430.758   21.934   56.610   1.2563   56.458   1.4464 0.1521912 1.915878 
1 1 1   26    4   25 o   7.6157   2.5770   7.4288   6.2704   11.486   8.5331   2.6661   9.2450   9.2459   3.0026   7.2398   2.9709 2.006129 4.223985 
1 1 1   26    4   26 o   31.282   1.0543  131.891   8.8582  130.812   12.835  132.873   12.241   31.091   1.5370   31.347   1.4539 -0.2565250 2.115654 
1 1 1   26    4   27 o   65.892   0.8575  584.542   15.175  599.321   20.809  567.754   22.179   66.650   1.1624   64.841   1.2735 1.808762 1.724242 
1 1 1   26    4   28 f   28.765   1.1309  111.628   8.7370  115.872   11.281  105.267   13.811   29.266   1.4352   27.765   1.8627 1.501003 2.351523 
1 1 1   26    4   29 o   14.975   1.7283   30.848   6.8239   43.940   9.0625   13.705   10.370   17.865   1.9187   10.061   3.3122 7.803923 3.827776 
1 1 1   26    4   30 o   41.837   0.8804  235.798   9.8927  240.012   13.447  230.826   14.605   42.155   1.1876   41.313   1.3162 0.8414383 1.772837 
1 1 1   26    4   31 o   37.995   0.8959  194.539   9.1423  189.183   12.590  200.514   13.298   37.406   1.2531   38.503   1.2859 -1.097034 1.795442 
1 1 1   26    4   32 o   19.797   1.4239   53.383   7.5204   44.769   10.851   61.346   10.432   17.906   2.3101   21.131   1.8570 -3.224806 2.963936 
1 1 1   26    4   33 o   49.873   0.8968  335.297   12.013  323.121   17.586  345.947   16.448   48.845   1.3405   50.580   1.2107 -1.735043 1.806288 
1 1 1   26    4   34 o   8.3354   2.9827   8.5084   8.4621   10.340   13.033   7.1739   11.126   9.6578   3.6580   8.6147   3.3495 1.043125 4.959882 
1 1 1   26    4   35 o   18.208   1.6218   45.441   7.8483   50.971   11.704   40.923   10.579   19.098   2.3300   17.072   2.3712 2.026003 3.324408 
1 1 1   26    4   36 o   13.531   2.3055   25.885   8.0788   26.316   10.962   25.374   11.952   13.430   3.1016   13.134   3.3711 0.2965841 4.580838 
1 1 1   26    4   37 o   20.231   1.5090   55.893   8.1405   60.787   10.603   48.867   12.705   21.003   1.9001   18.595   2.6162 2.408890 3.233377 
1 1 1   26    4   38 o   26.837   1.2204   97.480   8.7971   98.834   11.646   95.682   13.424   26.897   1.6197   26.377   1.9076 0.5201435 2.502472 
1 1 1   26    4   39 o   8.9174   2.7168   11.220   7.0939   9.6760   9.7097   12.987   10.389   8.8483   3.1918   9.7874   3.3171 -0.9391031 4.603351 
1 1 1   26    4   40 o   27.276   1.3016  100.931   9.5352  111.548   13.233   89.465   13.752   28.513   1.7362   25.421   2.0310 3.091280 2.671945 
1 1 1   26    4   41 o   15.637   2.4991   34.942   10.143   45.264   13.834   22.942   14.916   17.619   3.0325   12.409   3.9638 5.210667 4.990784 
1 1 1   26    4   42 o   28.167   1.3910  108.111   10.524   87.847   15.558  125.202   14.288   24.963   2.3481   30.127   1.7736 -5.164581 2.942603 
1 1 1   26    4   43 o   22.495   1.6118   69.812   9.6741   68.577   13.419   71.148   13.960   21.995   2.3057   22.381   2.3577 -0.3858929 3.297744 
1 1 1   26    4   44 o   36.780   1.1937  184.205   11.793  199.785   16.716  168.768   16.639   38.075   1.6346   34.870   1.7825 3.205112 2.418497 
1 1 1   26    4   45 o   4.8005   2.3024 -10.9624   8.5522 -16.1451   12.159  -5.8878   12.031   5.6024   2.7019   6.5630   3.0097 -0.9606247 4.044590 
1 1 1   26    4   46 o   27.046   1.4323  101.003   10.368   89.126   14.833  112.348   14.497   24.912   2.2408   28.224   1.9239 -3.311193 2.953366 
1 1 1   26    4   47 o   5.4026   2.5963 -13.3178   10.993 -17.4790   18.696 -11.1193   13.590   7.1434   3.4203   6.3831   3.0157 0.7602839 4.559969 
1 1 1   26    5  -41 o   14.035   5.0863   30.510   24.697   0.0000   0.0000   30.510   24.697  ?   ?    14.035   5.0863 0.000000 5.086306 
1 1 1   26    5  -40 o   12.140   3.5778   22.077   12.458   18.469   17.837   25.513   17.408   11.703   4.3101   13.013   4.2917 -1.310075 6.082375 
1 1 1   26    5  -39 o   14.908   3.1483   32.716   12.211   25.291   16.414   41.920   18.273   13.009   4.1583   16.508   4.1311 -3.499239 5.861562 
1 1 1   26    5  -38 o   9.7974   3.0416   13.634   8.8425   24.503   12.583   3.0291   12.429   12.837   3.5364   8.1317   3.4004 4.705692 4.905986 
1 1 1   26    5  -37 o   16.073   2.2019   36.210   9.2560   44.706   12.755   26.762   13.452   17.694   2.7753   13.410   3.6411 4.284259 4.578205 
1 1 1   26    5  -36 o   26.481   1.4358   95.462   10.174   95.782   14.290   95.132   14.488   26.349   2.0350   26.246   2.0720 0.1026173 2.904210 
1 1 1   26    5  -35 o   42.840   1.1205  248.055   12.893  232.899   18.000  264.023   18.476   41.366   1.6201   44.064   1.5611 -2.698380 2.249812 
1 1 1   26    5  -34 o   20.636   1.8190   58.583   9.9793   62.483   13.460   53.823   14.870   21.133   2.4148   19.404   2.9458 1.728477 3.809055 
1 1 1   26    5  -33 o   11.991   3.3594   21.021   11.252   24.003   17.231   18.805   14.856   12.912   4.2705   11.654   3.9665 1.258479 5.828371 
1 1 1   26    5  -32 o   8.6968   2.9898   9.8493   8.4441   8.2699   11.575   11.646   12.346   8.9386   3.4325   9.8022   3.5894 -0.8635387 4.966496 
1 1 1   26    5  -31 o   31.034   1.2297  130.266   10.250  123.656   14.338  137.173   14.657   30.068   1.7834   31.691   1.7285 -1.622974 2.483593 
1 1 1   26    5  -30 o   34.863   1.6427  165.219   15.382  139.879   21.355  192.542   22.174   31.726   2.5270   37.388   2.2180 -5.662773 3.362364 
1 1 1   26    5  -29 o   19.397   1.9607   51.858   10.075   48.739   16.230   53.813   12.851   18.339   3.4208   19.613   2.4961 -1.273687 4.234680 
1 1 1   26    5  -28 o   21.440   1.5642   62.662   8.9453   68.779   12.622   56.489   12.680   22.331   2.1302   20.148   2.3897 2.183844 3.201264 
1 1 1   26    5  -27 o   36.495   1.0985  179.689   10.768  181.727   15.174  177.622   15.283   36.620   1.5428   36.198   1.5720 0.4221954 2.202536 
1 1 1   26    5  -26 o   13.893   2.2359   27.015   8.0601   25.376   11.121   28.829   11.699   13.254   3.1671   14.137   3.1603 -0.8834085 4.474204 
1 1 1   26    5  -25 o   32.978   1.1395  146.704   10.093  138.114   14.506  154.766   14.053   31.867   1.7009   33.808   1.5475 -1.941603 2.299570 
1 1 1   26    5  -24 o   8.9887   2.8056   11.086   7.5122  -1.0183   10.734   22.708   10.518   7.0675   3.0626   12.561   3.1290 -5.493786 4.378409 
1 1 1   26    5  -23 o   49.680   0.9957  332.496   13.286  334.215   19.118  330.890   18.478   49.725   1.4314   49.486   1.3902 0.2388611 1.995432 
1 1 1   26    5  -22 o   65.067   1.1678  570.960   20.408  551.910   35.359  580.477   24.991   63.689   2.0670   65.542   1.4196 -1.852467 2.507565 
1 1 1   26    5  -21 o   35.168   1.1772  166.785   11.120  166.885   16.851  166.708   14.799   35.038   1.7966   35.104   1.5696 -0.6553650E-01 2.385646 
1 1 1   26    5  -20 o   13.666   2.6394   26.410   9.3373   34.193   11.342   10.045   16.448   15.553   2.8190   10.411   4.0657 5.142235 4.947325 
1 1 1   26    5  -19 o   42.793   1.5668  247.631   18.008  255.016   19.942  215.000   41.920   43.397   1.7108   38.930   4.0692 4.467140 4.414242 
1 1 1   26    5  -18 o   42.581   1.0046  244.164   11.490  237.455   16.410  250.615   16.092   41.928   1.4572   43.085   1.3906 -1.157242 2.014205 
1 1 1   26    5  -17 o   18.664   2.0080   47.806   9.9077   56.966   12.851   34.382   15.556   20.307   2.4028   15.416   3.7849 4.890712 4.483186 
1 1 1   26    5  -16 o   26.063   1.3933   91.934   9.7184   92.356   12.030   91.140   16.489   26.069   1.7279   25.753   2.4119 0.3162956 2.966951 
1 1 1   26    5  -15 f   31.655   1.1010  134.974   9.3610  146.622   13.672  124.694   12.844   32.946   1.5450   30.338   1.5817 2.607969 2.211091 
1 1 1   26    5  -14 o   24.257   1.3223   79.577   8.5825   75.151   12.545   83.472   11.768   23.460   2.0102   24.776   1.7802 -1.315514 2.685172 
1 1 1   26    5  -13 o   32.308   0.8964  140.437   7.7784  139.452   9.8108  142.104   12.764   32.177   1.1352   32.450   1.4644 -0.2730179 1.852874 
1 1 1   26    5  -12 o   35.440   0.7680  168.895   7.3103  165.522   10.998  171.565   9.7843   35.055   1.1681   35.702   1.0204 -0.6467323 1.551015 
1 1 1   26    5  -11 o   17.885   1.1294   43.244   5.3977   42.024   8.7332   43.998   6.8662   17.525   1.8850   18.005   1.4316 -0.4801464 2.366983 
1 1 1   26    5  -10 o   61.276   0.7900  504.892   13.002  508.335   17.457  500.604   19.483   61.454   1.0576   60.966   1.1898 0.4874916 1.591944 
1 1 1   26    5   -9 o   49.685   0.7256  331.870   9.6833  336.076   13.934  327.942   13.467   49.972   1.0381   49.366   1.0157 0.6062088 1.452326 
1 1 1   26    5   -8 f   50.518   0.7670  343.116   10.406  338.778   15.681  346.530   13.911   50.161   1.1639   50.747   1.0206 -0.5858040 1.548025 
1 1 1   26    5   -7 o   25.428   0.9246   86.969   6.3145   85.230   8.7759   88.836   9.0927   25.119   1.3053   25.644   1.3247 -0.5251408 1.859698 
1 1 1   26    5   -6 o   31.703   0.9596  135.203   8.1707  132.976   11.081  137.857   12.095   31.418   1.3132   31.982   1.4081 -0.5639915 1.925391 
1 1 1   26    5   -5 o   59.531   0.7857  476.458   12.562  499.820   19.040  458.447   16.717   60.933   1.1634   58.368   1.0664 2.565163 1.578153 
1 1 1   26    5   -4 o   42.816   0.7864  246.460   9.0434  237.137   13.389  254.281   12.263   41.969   1.1878   43.472   1.0503 -1.502361 1.585539 
1 1 1   26    5   -3 o   46.305   0.8218  288.281   10.220  330.397   16.874  263.879   12.844   49.532   1.2684   44.283   1.0799 5.249023 1.665799 
1 1 1   26    5   -2 o   7.4962   2.4123   7.4203   5.5166  -0.5882   8.3379   13.656   7.3571   6.3253   2.7201   9.8656   2.6985 -3.540269 3.831594 
1 1 1   26    5   -1 o   36.183   1.0055  176.128   9.7716  176.615   14.252  175.696   13.423   36.198   1.4659   36.111   1.3840 0.8705139E-01 2.015997 
1 1 1   26    5    0 o   46.115   0.7538  285.872   9.3363  301.660   13.331  270.677   13.079   47.350   1.0482   44.850   1.0858 2.500526 1.509199 
1 1 1   26    5    1 o   14.705   1.5158   29.460   5.9009   26.284   7.9966   33.256   8.7435   13.758   2.2411   15.531   2.1541 -1.772380 3.108487 
1 1 1   26    5    2 o   30.570   0.8743  125.664   7.1784  129.766   10.398  121.929   9.9221   31.043   1.2471   30.093   1.2276 0.9507961 1.749900 
1 1 1   26    5    3 o   11.414   1.8522   18.044   5.4836   15.663   7.6425   20.571   7.8727   10.534   2.6913   12.093   2.5062 -1.558467 3.677487 
1 1 1   26    5    4 o   39.090   0.8501  205.468   8.9250  210.143   12.650  200.834   12.594   39.508   1.1921   38.621   1.2140 0.8867912 1.701476 
1 1 1   26    5    5 o   60.854   0.7680  497.851   12.552  503.303   17.727  492.369   17.777   61.155   1.0792   60.486   1.0942 0.6696358 1.536905 
1 1 1   26    5    6 o   57.732   0.7658  448.087   11.875  448.793   16.779  447.379   16.808   57.747   1.0818   57.656   1.0854 0.9145737E-01 1.532435 
1 1 1   26    5    7 o   47.867   0.7963  308.067   10.238  306.728   13.815  309.698   15.247   47.739   1.0774   47.959   1.1837 -0.2198067 1.600567 
1 1 1   26    5    8 f   41.611   0.8140  232.821   9.0977  239.797   12.227  224.169   13.617   42.209   1.0785   40.796   1.2427 1.413456 1.645472 
1 1 1   26    5    9 o   26.104   0.9869   91.689   6.9193   90.951   9.2533   92.625   10.421   25.945   1.3324   26.163   1.4891 -0.2185097 1.998170 
1 1 1   26    5   10 o   16.610   1.3699   37.444   6.0570   34.241   8.0154   41.707   9.2481   15.793   1.9297   17.438   2.0114 -1.644914 2.787378 
1 1 1   26    5   11 o   28.444   1.0028  108.887   7.6611  108.566   10.813  109.211   10.856   28.336   1.4253   28.456   1.4203 -0.1198330 2.012165 
1 1 1   26    5   12 o   37.079   0.9654  185.014   9.6147  189.923   12.885  178.847   14.443   37.539   1.2779   36.406   1.4770 1.132816 1.953097 
1 1 1   26    5   13 o   36.681   0.8584  181.001   8.4575  183.155   11.234  178.184   12.850   36.876   1.1342   36.354   1.3160 0.5221863 1.737312 
1 1 1   26    5   14 o   21.606   1.1555   63.066   6.6809   69.958   8.8752   54.052   10.149   22.720   1.4621   19.885   1.9243 2.835339 2.416747 
1 1 1   26    5   15 f   61.849   0.8296  514.596   13.781  514.638   18.576  514.544   20.552   61.809   1.1190   61.782   1.2385 0.2693939E-01 1.669126 
1 1 1   26    5   16 o   54.682   0.8805  402.360   12.932  405.752   17.409  398.183   19.317   54.869   1.1813   54.330   1.3238 0.5387497 1.774203 
1 1 1   26    5   17 o   27.100   1.0202   98.900   7.4257   98.983   9.8145   98.790   11.357   27.084   1.3492   26.989   1.5735 0.9459496E-01 2.072691 
1 1 1   26    5   18 o   7.1831   2.5227   6.2487   6.0272   8.0818   7.9327   3.7454   9.2701   8.1793   2.8921   7.4831   3.0100 0.6961617 4.174189 
1 1 1   26    5   19 o   37.244   0.8995  186.708   8.9981  191.352   11.994  180.728   13.609   37.673   1.1853   36.585   1.3850 1.087185 1.822946 
1 1 1   26    5   20 o   12.282   2.0185   21.015   6.4271   21.553   8.4797   20.289   9.8525   12.318   2.6422   11.908   3.0631 0.4104929 4.045205 
1 1 1   26    5   21 o   36.403   0.9126  178.412   8.9229  167.664   11.787  192.838   13.656   35.252   1.2449   37.792   1.3454 -2.539326 1.832952 
1 1 1   26    5   22 o   57.899   0.8465  451.194   13.164  446.548   17.620  457.061   19.802   57.549   1.1400   58.195   1.2669 -0.6462746 1.704252 
1 1 1   26    5   23 o   28.424   1.1899  108.987   9.0839  109.834   11.992  107.847   13.914   28.443   1.5759   28.126   1.8522 0.3171959 2.431903 
1 1 1   26    5   24 o   24.003   1.2891   78.019   8.2803   77.987   11.296   78.055   12.173   23.911   1.7716   23.891   1.9131 0.1999664E-01 2.607352 
1 1 1   26    5   25 o   36.467   0.9329  179.131   9.1375  180.408   12.358  177.590   13.571   36.552   1.2588   36.243   1.3941 0.3089294 1.878344 
1 1 1   26    5   26 o   40.098   0.9002  216.564   9.6950  240.891   13.199  188.057   14.288   42.249   1.1631   37.284   1.4268 4.965355 1.840768 
1 1 1   26    5   27 o   25.583   1.1498   88.338   7.9007   84.254   11.034   92.636   11.318   24.863   1.6618   26.084   1.6236 -1.221163 2.323244 
1 1 1   26    5   28 o   18.913   1.4770   48.745   7.4431   48.534   10.645   48.947   10.412   18.719   2.1566   18.815   2.0958 -0.9615326E-01 3.007209 
1 1 1   26    5   29 o   11.046   2.3916   17.403   6.8900   16.216   9.7236   18.600   9.7643   10.665   3.1654   11.350   3.1106 -0.6841583 4.438025 
1 1 1   26    5   30 o   61.078   0.8939  502.814   14.664  499.391   20.383  506.486   21.112   60.766   1.2489   61.183   1.2847 -0.4176712 1.791709 
1 1 1   26    5   31 o   29.459   1.0805  117.187   8.5496  117.433   11.699  116.905   12.525   29.381   1.4874   29.286   1.5983 0.9521484E-01 2.183346 
1 1 1   26    5   32 o   18.553   1.5122   47.041   7.4697   40.700   10.016   54.989   11.213   17.065   2.2391   19.909   2.1299 -2.843853 3.090361 
1 1 1   26    5   33 o   33.929   1.0984  155.538   10.010  166.751   13.852  143.287   14.480   35.047   1.4716   32.397   1.6697 2.650330 2.225659 
1 1 1   26    5   34 o   35.004   1.0201  165.423   9.5911  166.842   12.517  163.405   14.927   35.089   1.3281   34.655   1.6037 0.4341736 2.082222 
1 1 1   26    5   35 o   16.666   2.0829   38.679   9.1200   42.584   11.634   32.454   14.689   17.345   2.5753   14.756   3.7102 2.589141 4.516404 
1 1 1   26    5   36 o   17.564   1.7707   42.511   8.2395   37.745   11.706   47.191   11.599   16.237   2.7845   18.325   2.4155 -2.088093 3.686198 
1 1 1   26    5   37 o   19.130   1.7200   50.317   8.7432   49.555   11.833   51.234   12.975   18.780   2.4008   19.028   2.6074 -0.2475319 3.544333 
1 1 1   26    5   38 o   21.677   1.4421   64.129   8.3484   55.903   10.542   77.963   13.672   20.087   1.9797   23.683   2.1736 -3.596090 2.940035 
1 1 1   26    5   39 o   29.048   1.1078  114.184   8.6428  113.454   11.798  115.030   12.697   28.817   1.5298   28.981   1.6378 -0.1641998 2.241142 
1 1 1   26    5   40 o   13.002   2.5692   24.468   8.6541   23.389   11.765   25.739   12.774   12.488   3.4112   13.058   3.5492 -0.5696049 4.922715 
1 1 1   26    5   41 o   12.962   2.5547   24.429   8.5780   21.440   11.619   28.009   12.718   11.920   3.4388   13.565   3.4751 -1.644950 4.888957 
1 1 1   26    5   42 o   25.486   1.5636   89.430   10.651   84.146   16.720   93.039   13.818   24.194   2.6145   25.793   2.0105 -1.598886 3.298171 
1 1 1   26    5   43 o   6.8873   2.9319   1.5081   9.5116  -2.9925   14.354   5.0317   12.700   7.5913   3.4031   8.3228   3.4551 -0.7314863 4.849628 
1 1 1   26    5   44 o   22.660   1.9623   72.418   11.825   79.575   22.259   69.604   13.958   22.376   3.8421   21.954   2.4065 0.4220409 4.533514 
1 1 1   26    5   45 o   21.038   1.9727   62.831   11.016   59.227   18.679   64.753   13.641   19.149   3.7659   21.056   2.4584 -1.906145 4.497341 
1 1 1   26    5   46 o   12.446   3.4980   25.297   12.179   29.020   22.618   23.777   14.454   12.746   4.8211   11.921   3.9097 0.8256683 6.207093 
1 1 1   26    6  -40 o   17.463   4.9210   50.820   24.071   0.0000   0.0000   50.820   24.071  ?   ?    17.463   4.9210 0.000000 4.921046 
1 1 1   26    6  -39 o   12.699   3.4458   24.317   12.053   19.283   16.864   29.573   17.231   11.727   4.2092   13.812   4.2391 -2.085367 5.973881 
1 1 1   26    6  -38 o   9.0161   3.4204   9.1986   11.407   3.6352   16.081   14.832   16.182   9.0669   3.8338   10.891   4.0868 -1.823832 5.603567 
1 1 1   26    6  -37 f   21.198   1.6968   61.761   9.5796   46.942   13.328   77.600   13.779   18.077   2.8385   23.604   2.1987 -5.526857 3.590427 
1 1 1   26    6  -36 o   25.008   1.5058   85.363   10.067   82.633   13.701   88.567   14.843   24.416   2.1099   25.245   2.2113 -0.8295441 3.056385 
1 1 1   26    6  -35 o   28.731   1.3650  111.982   10.534  127.581   15.085   97.138   14.716   30.487   1.8510   26.507   2.0838 3.979063 2.787166 
1 1 1   26    6  -34 o   35.018   1.1953  165.930   11.243  159.609   15.716  172.555   16.089   34.166   1.7181   35.578   1.6837 -1.411922 2.405578 
1 1 1   26    6  -33 f   14.560   2.3472   29.971   8.8671   37.750   12.481   22.043   12.600   16.165   2.9846   12.252   3.5946 3.913173 4.672111 
1 1 1   26    6  -32 o   27.117   1.9570  101.210   14.158  111.008   20.058   91.482   19.987   28.111   2.6893   25.364   2.9913 2.747021 4.022524 
1 1 1   26    6  -31 o   62.896   1.0470  534.246   17.687  550.797   25.216  518.216   24.816   63.689   1.4741   61.766   1.4958 1.922485 2.100110 
1 1 1   26    6  -30 o   31.365   1.2266  133.108   10.333  137.747   14.763  128.652   14.468   31.743   1.7382   30.666   1.7639 1.077110 2.476441 
1 1 1   26    6  -29 f   12.935   2.8628   24.195   9.6833   11.631   11.748   50.815   17.100   9.7049   3.5094   18.637   3.5456 -8.932353 4.988745 
1 1 1   26    6  -28 f   4.8722   2.3405 -12.6093   8.9141 -10.8316   14.540 -13.6799   11.284   7.0175   3.2505   5.6678   2.6981 1.349794 4.224392 
1 1 1   26    6  -27 o   35.423   1.1248  169.429   10.702  175.696   15.236  163.327   15.036   35.978   1.5767   34.679   1.6142 1.298359 2.256483 
1 1 1   26    6  -26 o   9.0145   2.9058   11.062   8.0022   19.482   11.326   2.6706   11.307   11.643   3.4058   7.8359   3.2572 3.806925 4.712575 
1 1 1   26    6  -25 o   43.854   1.0460  259.370   12.320  271.444   17.431  247.318   17.416   44.777   1.4494   42.724   1.5177 2.052773 2.098587 
1 1 1   26    6  -24 o   54.276   0.9966  397.062   14.528  377.705   20.246  417.611   20.860   52.835   1.4267   55.564   1.3977 -2.729366 1.997263 
1 1 1   26    6  -23 o   13.675   2.2454   26.193   7.9612   24.205   11.346   28.121   11.174   12.938   3.2648   13.986   3.0597 -1.047386 4.474456 
1 1 1   26    6  -22 o   36.191   1.2937  176.895   12.575  172.453   17.849  181.273   17.719   35.575   1.8747   36.538   1.8056 -0.9626617 2.602758 
1 1 1   26    6  -21 o   41.656   1.1201  233.990   12.533  239.633   19.914  230.289   16.127   42.028   1.7642   41.267   1.4550 0.7607269 2.286734 
1 1 1   26    6  -20 o   20.286   1.6264   56.079   8.7869   66.746   13.470   48.177   11.593   21.992   2.3152   18.633   2.3701 3.358631 3.313253 
1 1 1   26    6  -19 o   38.658   1.1012  201.451   11.434  184.899   15.426  221.633   17.033   36.967   1.5536   40.471   1.5670 -3.503357 2.206595 
1 1 1   26    6  -18 o   40.731   1.2151  223.796   13.293  216.009   16.043  240.848   23.741   39.971   1.4944   42.069   2.1011 -2.097927 2.578349 
1 1 1   26    6  -17 o   47.421   1.1584  303.188   14.754  315.141   17.986  278.604   25.795   48.305   1.3863   45.248   2.1225 3.057610 2.535087 
1 1 1   26    6  -16 o   40.689   1.1093  223.126   12.123  240.392   15.919  199.288   18.705   42.189   1.4048   38.341   1.8163 3.848457 2.296210 
1 1 1   26    6  -15 o   22.459   1.5726   68.537   9.4265   74.406   11.914   58.715   15.414   23.342   1.9173   20.487   2.8807 2.854906 3.460390 
1 1 1   26    6  -14 o   16.302   1.7728   36.408   7.6371   25.435   10.945   46.821   10.662   13.330   3.1132   18.426   2.1976 -5.095837 3.810712 
1 1 1   26    6  -13 o   50.860   0.7557  347.904   10.323  358.067   13.948  335.598   15.349   51.567   1.0071   49.903   1.1451 1.663620 1.524963 
1 1 1   26    6  -12 o   40.315   0.7721  218.601   8.3603  215.678   12.730  220.818   11.086   40.003   1.1848   40.496   1.0192 -0.4926910 1.562887 
1 1 1   26    6  -11 o   47.062   0.7264  297.828   9.1822  285.193   12.975  310.506   12.997   46.020   1.0497   48.024   1.0076 -2.004066 1.455007 
1 1 1   26    6  -10 o   50.594   0.7830  344.270   10.640  353.741   16.669  337.757   13.823   51.232   1.2113   50.086   1.0275 1.146156 1.588442 
1 1 1   26    6   -9 o   63.288   0.8216  538.751   13.967  528.151   21.684  546.268   18.258   62.590   1.2898   63.693   1.0673 -1.103500 1.674156 
1 1 1   26    6   -8 o   36.907   0.7846  183.183   7.7775  190.557   11.532  177.029   10.534   37.613   1.1415   36.259   1.0817 1.354176 1.572570 
1 1 1   26    6   -7 o   31.529   0.8104  133.700   6.8625  139.868   10.079  128.369   9.3700   32.223   1.1645   30.873   1.1300 1.350225 1.622628 
1 1 1   26    6   -6 o   8.8327   2.1164   11.001   4.9550   16.095   7.2591   6.5556   6.7804   10.661   2.5660   7.4819   2.6707 3.179422 3.703653 
1 1 1   26    6   -5 o   62.077   0.8001  518.233   13.341  529.700   20.253  509.444   17.731   62.706   1.2025   61.515   1.0732 1.191277 1.611764 
1 1 1   26    6   -4 f   22.926   1.1034   70.769   6.7942   74.147   8.7476   65.633   10.786   23.408   1.3978   21.952   1.8466 1.455641 2.315920 
1 1 1   26    6   -3 o   45.348   0.7893  276.528   9.6136  279.679   14.534  274.078   12.818   45.568   1.1875   45.123   1.0577 0.4449043 1.590216 
1 1 1   26    6   -2 o   30.002   0.9659  121.116   7.7832  125.825   13.021  118.498   9.7086   30.488   1.5956   29.659   1.2187 0.8287926 2.007809 
1 1 1   26    6   -1 o   40.036   0.9132  215.635   9.8204  198.735   14.509  229.923   13.341   38.390   1.4071   41.316   1.2022 -2.925308 1.850719 
1 1 1   26    6    0 o   36.801   0.8788  182.167   8.6866  166.717   12.415  196.984   12.158   35.171   1.3142   38.244   1.1836 -3.072319 1.768670 
1 1 1   26    6    1 o   17.425   1.2595   41.123   5.8550   60.985   8.3634   22.032   8.1993   21.211   1.4772   12.508   2.5275 8.703076 2.927543 
1 1 1   26    6    2 o   28.020   0.9575  105.636   7.2057  102.923   9.7094  108.963   10.751   27.635   1.3081   28.426   1.4081 -0.7913551 1.921963 
1 1 1   26    6    3 o   48.488   0.8516  316.222   11.091  321.117   16.494  312.181   14.984   48.818   1.2579   48.146   1.1587 0.6720009 1.710224 
1 1 1   26    6    4 f   42.812   0.8079  246.484   9.2895  234.209   12.581  261.198   13.774   41.705   1.1232   44.038   1.1645 -2.332985 1.617905 
1 1 1   26    6    5 o   34.416   0.8355  159.304   7.7232  169.923   11.122  149.414   10.733   35.519   1.1658   33.304   1.1999 2.215256 1.672957 
1 1 1   26    6    6 o   39.247   0.7985  207.153   8.4177  217.643   12.014  197.036   11.798   40.203   1.1126   38.249   1.1484 1.954002 1.598980 
1 1 1   26    6    7 o   41.088   0.7905  227.041   8.7236  242.835   12.400  211.563   12.275   42.467   1.0871   39.632   1.1532 2.835194 1.584796 
1 1 1   26    6    8 o   30.729   0.9249  127.058   7.6339  120.770   10.295  134.737   11.377   29.932   1.2806   31.610   1.3401 -1.677832 1.853570 
1 1 1   26    6    9 o   6.0071   2.3745   2.7258   5.6702  -3.4536   7.5662   10.642   8.5638   5.4951   2.4666   9.0377   3.0116 -3.542536 3.892776 
1 1 1   26    6   10 o   26.561   1.0563   94.999   7.5358  109.211   10.864   81.820   10.462   28.448   1.4218   24.557   1.5948 3.890617 2.136561 
1 1 1   26    6   11 o   83.956   1.0059  948.971   22.683  948.807   30.341  949.178   34.154   83.865   1.3470   83.831   1.5168 0.3393555E-01 2.028588 
1 1 1   26    6   12 o   23.232   1.1001   72.706   6.8642   77.502   9.3204   67.021   10.147   23.914   1.4580   22.191   1.7158 1.722828 2.251593 
1 1 1   26    6   13 o   13.345   1.7171   24.489   6.0117   28.852   7.9673   18.722   9.1606   14.424   2.1197   11.462   2.9562 2.961890 3.637645 
1 1 1   26    6   14 o   5.6558   2.3407   1.2156   5.8027   10.359   7.8128 -10.0331   8.6659   8.8231   2.8735   5.0686   2.3988 3.754538 3.743164 
1 1 1   26    6   15 o   26.850   1.0444   97.115   7.5321   92.691   10.191  102.442   11.182   26.154   1.4564   27.489   1.5204 -1.334795 2.105445 
1 1 1   26    6   16 o   30.299   0.9891  123.636   8.0497  119.050   10.543  130.047   12.465   29.699   1.3216   31.019   1.4962 -1.319616 1.996319 
1 1 1   26    6   17 o   22.732   1.1511   69.842   7.0052   76.053   9.5223   62.516   10.342   23.671   1.5055   21.397   1.8167 2.274336 2.359447 
1 1 1   26    6   18 o   10.210   2.3335   14.784   6.2596   10.693   8.3703   19.976   9.4289   8.9959   2.9764   11.813   2.9737 -2.817454 4.207384 
1 1 1   26    6   19 o   39.604   0.8812  211.149   9.3734  212.625   12.608  209.324   14.016   39.704   1.1823   39.373   1.3253 0.3311882 1.776005 
1 1 1   26    6   20 o   47.834   0.8627  308.013   11.084  300.437   14.631  318.214   16.979   47.198   1.1541   48.547   1.3021 -1.348324 1.739992 
1 1 1   26    6   21 o   39.811   0.8932  213.401   9.5503  210.296   12.816  217.277   14.321   39.477   1.2087   40.107   1.3294 -0.6297760 1.796765 
1 1 1   26    6   22 o   18.007   1.9352   44.587   9.2127   54.072   13.007   35.038   13.051   19.706   2.5148   15.615   3.2186 4.091018 4.084550 
1 1 1   26    6   23 o   29.864   1.1764  120.355   9.4364  124.378   14.266  117.225   12.582   30.217   1.7654   29.370   1.6011 0.8473873 2.383306 
1 1 1   26    6   24 o   11.138   2.3952   17.635   6.9523   13.653   9.6707   21.895   10.002   9.9731   3.1923   12.324   3.0405 -2.350449 4.408530 
1 1 1   26    6   25 o   6.3982   2.5889   2.5649   6.9023   10.893   10.198  -4.4748   9.3761   9.3149   3.2807   6.0422   2.7259 3.272676 4.265390 
1 1 1   26    6   26 o   3.8277   1.8834 -14.0996   6.7998 -12.0121   9.0309 -16.8325   10.333   4.9862   2.3847   5.0500   2.4488 -0.6379843E-01 3.418119 
1 1 1   26    6   27 o   29.871   1.0331  120.382   8.2890  122.589   11.641  118.111   11.806   30.079   1.4409   29.477   1.4961 0.6014004 2.077088 
1 1 1   26    6   28 f   55.729   0.8352  418.409   12.501  411.562   17.428  425.667   17.942   55.185   1.1758   56.118   1.1904 -0.9332886 1.673184 
1 1 1   26    6   29 f   35.456   0.9372  169.536   8.9247  182.002   12.400  156.139   12.855   36.675   1.2588   33.936   1.4103 2.738197 1.890401 
1 1 1   26    6   30 o   6.5303   2.5818   3.4667   6.7046   10.214   9.0265  -4.8363   10.013   8.8916   3.0892   6.2011   2.8055 2.690524 4.173033 
1 1 1   26    6   31 o   25.764   1.2424   89.850   8.5976   88.116   10.988   92.589   13.807   25.396   1.6193   25.921   1.9986 -0.5255566 2.572236 
1 1 1   26    6   32 o   26.846   1.4149   98.061   10.166  106.115   12.716   83.797   16.924   27.849   1.7083   24.421   2.6211 3.427588 3.128629 
1 1 1   26    6   33 f   28.062   1.1179  106.456   8.4256  108.541   11.437  103.982   12.459   28.219   1.5145   27.568   1.6908 0.6507702 2.269924 
1 1 1   26    6   34 o   16.254   1.8546   36.571   7.9518   44.144   10.005   23.583   13.103   17.798   2.1356   12.638   3.6535 5.159377 4.231869 
1 1 1   26    6   35 o   36.186   1.1117  177.027   10.805  164.328   13.885  196.522   17.204   34.772   1.4867   37.961   1.6873 -3.189049 2.248836 
1 1 1   26    6   36 o   36.645   0.9728  181.308   9.5745  175.657   13.118  187.749   14.006   35.979   1.3575   37.184   1.4024 -1.204876 1.951794 
1 1 1   26    6   37 f   23.868   1.4641   77.769   9.3406   79.087   14.793   76.895   12.046   23.772   2.3475   23.596   1.9172 0.1759510 3.030876 
1 1 1   26    6   38 o   26.091   1.2838   92.403   8.9967   82.578   13.015  101.394   12.450   24.404   2.0032   27.167   1.7151 -2.762877 2.637136 
1 1 1   26    6   39 o   15.445   1.9821   33.430   8.0327   30.181   11.847   36.196   10.929   14.235   3.1789   15.832   2.6646 -1.597894 4.147952 
1 1 1   26    6   40 o   27.087   1.3391   99.972   9.7422   98.675   13.436  101.411   14.147   26.660   1.8885   26.993   1.9648 -0.3328342 2.725205 
1 1 1   26    6   41 o   6.5626   2.7619   1.7130   8.2823  -5.1930   11.372   9.5134   12.086   6.4992   2.9597   9.0635   3.5003 -2.564306 4.583870 
1 1 1   26    6   42 o   10.641   3.2047   17.208   9.9127   14.734   15.513   18.916   12.887   10.463   3.9842   11.127   3.6937 -0.6633806 5.432977 
1 1 1   26    6   43 o   8.6840   3.1355   10.270   9.3728   11.751   13.457   8.8750   13.062   9.5662   3.6937   8.9724   3.5856 0.5938110 5.147812 
1 1 1   26    6   44 o   10.360   3.3137   16.695   10.422   18.063   15.397   15.538   14.158   10.849   4.0029   10.277   3.8292 0.5720549 5.539537 
1 1 1   26    6   45 o   8.6269   3.6778   5.6888   15.007   9.4536   19.093  -0.3964   24.273   9.7416   4.1506   9.4393   4.3085 0.3022337 5.982522 
1 1 1   26    7  -39 o   15.185   4.4428   37.435   19.272   0.0000   0.0000   37.435   19.272  ?   ?    15.185   4.4428 0.000000 4.442792 
1 1 1   26    7  -38 o   14.896   3.1755   33.101   12.317   42.975   17.363   23.098   17.476   16.640   3.9449   12.457   4.3001 4.182416 5.835503 
1 1 1   26    7  -37 o   7.7274   3.2768   1.9093   11.801  -2.2895   16.722   6.0757   16.657   8.4322   3.7329   9.5119   3.9535 -1.079720 5.437358 
1 1 1   26    7  -36 o   26.757   1.4126   97.624   10.116   89.827   13.940  106.296   14.702   25.447   2.0572   27.723   1.9877 -2.275707 2.860541 
1 1 1   26    7  -35 f   9.3788   3.0025   12.316   8.5549   18.751   11.899   5.4315   12.308   11.356   3.5289   8.5059   3.4517 2.850522 4.936317 
1 1 1   26    7  -34 o   20.677   1.7406   58.797   9.5769   60.837   13.470   56.711   13.619   20.801   2.4585   20.024   2.5932 0.7767353 3.573376 
1 1 1   26    7  -33 o   36.025   1.1858  175.648   11.474  180.135   16.078  170.991   16.379   36.353   1.6466   35.393   1.7230 0.9594345 2.383270 
1 1 1   26    7  -32 o   22.250   1.6106   67.768   9.5604   65.053   13.556   70.455   13.485   21.558   2.3809   22.487   2.2635 -0.9291668 3.285095 
1 1 1   26    7  -31 o   32.377   1.5971  142.734   13.889  142.467   21.518  142.925   18.185   31.930   2.5297   32.169   2.1165 -0.2385807 3.298302 
1 1 1   26    7  -30 o   17.481   2.0743   42.527   9.5494   44.375   12.506   39.942   14.790   17.649   2.7259   16.460   3.4554 1.189037 4.401166 
1 1 1   26    7  -29 o   13.083   2.5284   24.489   8.5636   16.896   12.249   31.750   11.977   10.970   3.5992   14.755   3.1198 -3.785134 4.763076 
1 1 1   26    7  -28 o   13.032   2.8663   24.605   9.7600   24.979   11.960   23.859   16.887   13.025   3.3869   12.858   4.2264 0.1668234 5.416070 
1 1 1   26    7  -27 o   25.396   1.4715   87.815   9.9943   71.137   14.229  104.055   14.041   22.591   2.3809   27.529   1.9108 -4.938320 3.052860 
1 1 1   26    7  -26 o   42.050   1.2245  239.119   13.830  243.306   24.217  237.092   16.848   42.063   2.1507   41.799   1.5007 0.2638092 2.622532 
1 1 1   26    7  -25 o   31.312   1.4409  132.871   12.118  146.282   16.875  118.594   17.411   32.682   1.9310   29.319   2.2276 3.363205 2.948071 
1 1 1   26    7  -24 o   41.867   1.0558  236.492   11.873  230.895   16.646  242.289   16.940   41.270   1.5017   42.279   1.4917 -1.008640 2.116649 
1 1 1   26    7  -23 o   25.840   1.4162   90.649   9.7915   95.743   14.981   86.850   12.937   26.381   2.1325   25.174   1.9280 1.207264 2.874833 
1 1 1   26    7  -22 o   26.148   1.3829   92.743   9.6778   83.107   13.650  102.484   13.724   24.589   2.0864   27.379   1.8775 -2.790171 2.806823 
1 1 1   26    7  -21 o   40.753   1.0483  223.933   11.475  226.444   16.625  221.648   15.858   40.891   1.5137   40.468   1.4590 0.4233360 2.102357 
1 1 1   26    7  -20 o   36.652   1.1781  181.298   11.597  173.625   18.319  186.431   14.982   35.675   1.9188   37.111   1.5031 -1.435719 2.437461 
1 1 1   26    7  -19 o   37.089   1.2665  185.754   12.617  194.613   22.999  181.940   15.090   37.667   2.2841   36.660   1.5326 1.006897 2.750595 
1 1 1   26    7  -18 o   25.041   1.3689   84.984   9.1720   77.115   13.201   92.329   12.753   23.702   2.0952   26.012   1.8372 -2.310097 2.786581 
1 1 1   26    7  -17 o   34.951   1.1129  164.715   10.448  173.639   15.161  156.645   14.417   35.813   1.5761   34.015   1.5780 1.798008 2.230317 
1 1 1   26    7  -16 o   30.924   1.1685  128.980   9.7053  113.821   13.843  143.633   13.610   28.912   1.7915   32.579   1.5554 -3.666945 2.372506 
1 1 1   26    7  -15 o   16.402   2.2119   37.308   9.4960   44.020   11.761   24.738   16.094   17.760   2.5378   13.206   4.1041 4.553382 4.825343 
1 1 1   26    7  -14 f   37.037   1.0246  184.811   10.192  184.811   10.192   0.0000   0.0000   37.037   1.0246  ?   ?  0.000000 1.024563 
1 1 1   26    7  -13 o   54.717   0.7471  402.748   10.980  409.243   15.209  395.676   15.869   55.116   1.0274   54.184   1.0904 0.9320335 1.498144 
1 1 1   26    7  -12 o   12.706   1.3706   22.050   4.6034   19.767   6.2253   24.805   6.8381   11.902   2.0195   13.379   1.9612 -1.476376 2.815062 
1 1 1   26    7  -11 o   31.242   0.8454  131.352   7.0938  131.146   9.2655  131.644   11.027   31.195   1.1058   31.232   1.3145 -0.3679276E-01 1.717788 
1 1 1   26    7  -10 o   36.845   0.7562  182.606   7.4841  181.303   10.602  183.900   10.567   36.684   1.0760   36.946   1.0648 -0.2629166 1.513792 
1 1 1   26    7   -9 o   65.584   0.8063  578.663   14.204  587.783   21.477  571.572   18.937   66.025   1.2111   65.134   1.0825 0.8906479 1.624316 
1 1 1   26    7   -8 o   31.998   0.8394  137.761   7.2144  130.967   9.8787  145.526   10.561   31.170   1.1800   32.855   1.1968 -1.685030 1.680632 
1 1 1   26    7   -7 o   15.271   1.3151   31.689   5.3415   30.345   8.0081   32.766   7.1694   14.810   2.0697   15.460   1.7578 -0.6496725 2.715425 
1 1 1   26    7   -6 f   58.596   0.7939  461.852   12.495  469.281   18.803  455.977   16.720   59.006   1.1864   58.183   1.0699 0.8226585 1.597608 
1 1 1   26    7   -5 o   68.266   0.8509  627.012   15.602  626.986   24.480  627.030   20.247   68.173   1.3369   68.224   1.1049 -0.5153656E-01 1.734447 
1 1 1   26    7   -4 o   36.956   0.8506  183.753   8.4434  187.537   13.168  181.111   11.003   37.288   1.3148   36.666   1.1172 0.6222534 1.725410 
1 1 1   26    7   -3 o   46.463   0.8853  290.492   11.048  258.917   19.158  306.226   13.524   43.764   1.6299   47.685   1.0559 -3.921825 1.942003 
1 1 1   26    7   -2 o   17.167   1.5659   40.144   7.1407   47.555   10.266   33.197   9.9390   18.604   2.0907   15.419   2.4843 3.184605 3.246911 
1 1 1   26    7   -1 o   37.918   0.8473  193.432   8.6290  186.906   12.936  198.664   11.582   37.229   1.2937   38.402   1.1229 -1.172695 1.713058 
1 1 1   26    7    0 o   20.351   1.2737   56.061   6.9272   62.967   11.092   51.645   8.8698   21.468   1.9447   19.466   1.7139 2.001659 2.592181 
1 1 1   26    7    1 o   39.975   0.8363  214.976   8.9790  208.844   13.396  219.979   12.100   39.357   1.2672   40.410   1.1148 -1.053558 1.687758 
1 1 1   26    7    2 o   53.701   0.8488  387.970   12.243  393.880   19.657  384.225   15.648   54.034   1.3545   53.410   1.0908 0.6238518 1.739093 
1 1 1   26    7    3 o   27.803   1.0234  104.082   7.6422   95.993   9.9096  115.954   12.005   26.636   1.3900   29.259   1.5329 -2.623301 2.069276 
1 1 1   26    7    4 o   67.649   0.7988  615.570   14.514  619.355   20.606  611.844   20.448   67.801   1.1315   67.389   1.1297 0.4120255 1.598902 
1 1 1   26    7    5 o   17.049   1.3345   39.451   6.0621   45.090   8.4912   33.589   8.6575   18.168   1.7622   15.587   2.1232 2.581326 2.759198 
1 1 1   26    7    6 f   57.419   0.7788  443.466   12.011  439.398   16.869  447.649   17.105   57.111   1.0997   57.644   1.1048 -0.5328979 1.558793 
1 1 1   26    7    7 o   25.647   1.0065   88.568   6.9331   90.457   9.6911   86.589   9.9227   25.849   1.4011   25.279   1.4678 0.5703716 2.029135 
1 1 1   26    7    8 o   14.863   1.5102   30.152   5.9453   30.377   8.1392   29.894   8.7053   14.809   2.1055   14.650   2.2870 0.1590977 3.108644 
1 1 1   26    7    9 o   59.523   0.8670  476.792   13.861  450.890   19.357  504.054   19.859   57.821   1.2464   61.142   1.2093 -3.321404 1.736619 
1 1 1   26    7   10 o   28.631   1.1021  110.464   8.4754  110.693   11.296  110.169   12.820   28.585   1.4763   28.481   1.6833 0.1047058 2.239023 
1 1 1   26    7   11 o   43.620   0.8287  256.026   9.7085  242.259   12.897  274.032   14.749   42.395   1.1326   45.077   1.2182 -2.681545 1.663339 
1 1 1   26    7   12 o   27.191   1.0233   99.596   7.4732   97.934   10.053  101.648   11.173   26.892   1.3966   27.377   1.5255 -0.4848366 2.068243 
1 1 1   26    7   13 o   27.580   1.0163  102.469   7.5287  113.354   10.144   89.121   11.233   28.979   1.3033   25.607   1.6420 3.372820 2.096324 
1 1 1   26    7   14 f   25.762   1.0829   89.451   7.4934   90.456   10.293   88.318   10.930   25.824   1.4904   25.495   1.6043 0.3282661 2.189751 
1 1 1   26    7   15 o   21.504   1.2250   62.592   7.0460   67.880   9.3339   55.587   10.743   22.344   1.5652   20.121   2.0149 2.222269 2.551403 
1 1 1   26    7   16 o   33.744   0.9705  153.376   8.7956  160.301   12.338  146.219   12.542   34.452   1.3333   32.892   1.4197 1.560387 1.947657 
1 1 1   26    7   17 o   37.287   0.9539  187.271   9.5533  186.855   13.259  187.720   13.776   37.195   1.3272   37.273   1.3761 -0.7811356E-01 1.911853 
1 1 1   26    7   18 o   11.998   2.2171   20.246   6.8818   19.198   9.3594   21.480   10.154   11.570   2.9901   12.222   3.0911 -0.6515789 4.300655 
1 1 1   26    7   19 o   58.313   0.9318  458.024   14.594  448.245   21.070  467.041   20.234   57.591   1.3621   58.807   1.2810 -1.216515 1.869855 
1 1 1   26    7   20 o   50.448   0.9498  342.870   12.869  346.246   18.892  339.947   17.578   50.604   1.3900   50.161   1.3047 0.4422112 1.906382 
1 1 1   26    7   21 o   36.482   1.2238  179.721   11.992  176.160   18.029  182.546   16.059   35.940   1.8742   36.690   1.6296 -0.7502098 2.483549 
1 1 1   26    7   22 o   56.833   0.8931  435.095   13.633  447.319   18.889  421.804   19.697   57.550   1.2220   55.860   1.3128 1.689827 1.793535 
1 1 1   26    7   23 o   9.9438   2.5409   14.132   6.8115   10.446   9.0815   18.874   10.299   9.0034   3.1003   11.452   3.2159 -2.448853 4.466939 
1 1 1   26    7   24 o   28.919   1.0575  112.839   8.2141  125.022   11.278   99.076   11.987   30.390   1.3817   26.956   1.6638 3.434025 2.162682 
1 1 1   26    7   25 o   19.646   1.4605   52.601   7.6518   49.451   10.327   56.436   11.395   18.906   2.0673   20.193   2.1332 -1.286613 2.970562 
1 1 1   26    7   26 o   22.986   1.2530   71.684   7.7068   74.984   10.231   67.355   11.718   23.429   1.6360   22.106   1.9951 1.322506 2.580118 
1 1 1   26    7   27 o   29.820   1.1177  120.148   8.9517  130.277   11.336  103.369   14.591   31.006   1.3612   27.410   1.9955 3.595818 2.415562 
1 1 1   26    7   28 o   18.837   1.6091   48.613   8.0632   56.816   10.121   34.363   13.340   20.306   1.8770   15.303   3.3393 5.002856 3.830630 
1 1 1   26    7   29 o   26.550   1.1313   95.303   8.0673   96.632   11.175   93.856   11.658   26.609   1.5706   26.196   1.6655 0.4123001 2.289284 
1 1 1   26    7   30 o   14.995   1.9325   31.275   7.6022   32.972   9.8368   28.757   11.979   15.241   2.4889   13.985   3.2508 1.255674 4.094225 
1 1 1   26    7   31 o   9.0845   3.0362   11.163   8.7034   0.7646   10.813   30.289   14.666   7.3082   3.1189   14.220   3.7763 -6.911665 4.897810 
1 1 1   26    7   32 o   13.522   2.0861   25.682   7.3328   39.274   10.172   10.975   10.581   16.708   2.3300   9.3211   3.3353 7.387170 4.068559 
1 1 1   26    7   33 o   24.194   1.2777   79.536   8.2734   81.747   11.123   76.797   12.378   24.419   1.7066   23.584   1.9722 0.8352890 2.608085 
1 1 1   26    7   34 o   25.230   1.2929   86.516   8.7316   78.712   11.726   96.228   13.081   23.914   1.8397   26.450   1.8530 -2.536253 2.611181 
1 1 1   26    7   35 f   23.318   1.4051   74.135   8.7592   77.813   10.972   67.674   14.544   23.801   1.7281   21.912   2.5170 1.889055 3.053100 
1 1 1   26    7   36 o   9.9603   2.7304   14.407   7.5224   16.729   10.019   11.405   11.389   10.718   3.2205   9.5080   3.4527 1.210453 4.721474 
1 1 1   26    7   37 o   27.104   1.2518   99.725   9.1131   77.646   12.541  124.429   13.266   23.647   1.9931   30.117   1.6462 -6.469980 2.585025 
1 1 1   26    7   38 o   28.154   1.2046  107.626   9.1090   93.940   13.014  120.769   12.754   26.040   1.8733   29.656   1.6072 -3.616385 2.468239 
1 1 1   26    7   39 o   18.336   2.1914   47.591   10.579   72.117   19.117   36.766   12.701   21.962   3.3467   15.677   3.1260 6.284899 4.579568 
1 1 1   26    7   40 o   19.847   1.9083   55.210   10.047   37.589   15.438   68.158   13.233   15.437   3.7586   21.881   2.2854 -6.444055 4.398885 
1 1 1   26    7   41 o   8.8292   3.1165   10.794   9.2078   17.639   13.117   4.1432   12.929   10.809   3.7257   8.1863   3.4482 2.622297 5.076533 
1 1 1   26    7   42 o   9.5685   3.3184   13.447   10.413   27.862   15.359   1.1856   14.166   12.975   4.0055   7.9708   3.4853 5.003975 5.309554 
1 1 1   26    7   43 o   8.6032   3.6647   5.2624   14.877   14.462   18.372 -12.2600   25.355   10.435   4.2233   8.7962   4.1446 1.639234 5.917292 
1 1 1   26    7   44 o   10.465   3.6769   17.509   12.805   19.099   18.480   16.041   17.759   11.000   4.3057   10.474   4.1826 0.5257578 6.002759 
1 1 1   26    8  -38 o   11.356   4.8981   9.3480   27.196   0.0000   0.0000   9.3480   27.196  ?   ?    11.356   4.8981 0.000000 4.898135 
1 1 1   26    8  -37 o   8.8598   3.4969   7.9991   12.281   27.991   16.991 -13.8685   17.770   13.372   4.2263   7.4753   3.5056 5.896242 5.490974 
1 1 1   26    8  -36 o   22.592   2.2716   71.772   13.597   81.807   19.539   62.349   18.934   23.669   3.1518   20.379   3.5903 3.290323 4.777409 
1 1 1   26    8  -35 f   5.2959   2.4677  -7.2504   8.5747  -6.6694   11.732  -7.9166   12.563   6.5097   2.9804   6.6335   3.0544 -0.1238489 4.267577 
1 1 1   26    8  -34 o   31.615   1.2895  135.634   10.949  138.190   15.620  133.164   15.353   31.690   1.8431   31.105   1.8460 0.5845928 2.608531 
1 1 1   26    8  -33 o   7.3485   2.8951   4.7744   8.4031   2.6361   11.536   7.1919   12.266   7.8128   3.2722   8.8202   3.4905 -1.007336 4.784474 
1 1 1   26    8  -32 o   29.395   1.3301  117.233   10.501  132.173   14.741  101.838   14.964   31.042   1.7754   27.130   2.0691 3.911795 2.726423 
1 1 1   26    8  -31 o   27.458   1.3979  102.635   10.275  100.154   14.489  105.145   14.574   26.928   2.0180   27.609   1.9785 -0.6807308 2.826079 
1 1 1   26    8  -30 o   6.3299   2.8354  -3.6155   9.9440   12.215   16.382 -12.8513   12.513   10.532   4.0729   6.1410   2.8990 4.391015 4.999332 
1 1 1   26    8  -29 o   26.425   1.6639   95.587   11.749   92.724   14.181  101.853   20.981   25.896   2.0557   26.746   2.9707 -0.8506279 3.612662 
1 1 1   26    8  -28 o   25.100   1.7779   86.488   11.908  112.894   16.484   57.662   17.222   28.551   2.1656   19.896   3.3412 8.655109 3.981669 
1 1 1   26    8  -27 o   24.233   1.5008   80.111   9.7203   77.183   13.455   83.307   14.057   23.593   2.1469   24.514   2.1570 -0.9212246 3.043285 
1 1 1   26    8  -26 o   40.970   1.3580  227.593   14.944  229.209   19.939  225.522   22.574   40.963   1.8123   40.473   2.0836 0.4899406 2.761462 
1 1 1   26    8  -25 o   15.818   2.5563   35.489   10.490   6.2714   16.626   54.812   13.521   9.6761   3.9789   19.712   2.6186 -10.03582 4.763311 
1 1 1   26    8  -24 o   22.133   1.7547   67.159   10.346   81.014   18.015   60.341   12.638   23.947   2.8572   20.818   2.2985 3.129194 3.666982 
1 1 1   26    8  -23 o   26.251   1.3234   93.518   9.3012   97.075   13.225   90.036   13.083   26.614   1.8619   25.611   1.9159 1.003044 2.671538 
1 1 1   26    8  -22 f   36.999   1.0998  184.810   10.930  186.842   15.648  182.873   15.273   37.101   1.5703   36.710   1.5489 0.3909073 2.205653 
1 1 1   26    8  -21 o   45.892   1.0298  284.086   12.693  266.224   18.069  301.489   17.836   44.312   1.5182   47.187   1.4073 -2.875183 2.070101 
1 1 1   26    8  -20 o   26.566   1.3046   95.425   9.3089   88.660   13.369  101.791   12.970   25.424   1.9732   27.303   1.7783 -1.879349 2.656305 
1 1 1   26    8  -19 o   7.7258   2.8657   6.5673   7.9119   12.559   11.288   0.7816   11.093   9.8990   3.4537   7.4556   3.1698 2.443334 4.687885 
1 1 1   26    8  -18 o   27.184   1.4985  100.365   10.899  127.905   19.550   87.947   13.128   30.444   2.4106   25.341   1.9436 5.102665 3.096559 
1 1 1   26    8  -17 o   22.102   1.5023   66.438   8.8654   66.291   13.981   66.536   11.465   21.861   2.4218   22.023   1.9587 -0.1613770 3.114713 
1 1 1   26    8  -16 o   40.425   1.0346  220.288   11.234  216.553   16.086  223.844   15.695   39.998   1.4973   40.679   1.4365 -0.6804008 2.074971 
1 1 1   26    8  -15 o   33.598   0.8444  151.973   7.6204  150.406   9.0891  155.681   13.981   33.407   1.0130   33.910   1.5350 -0.5034332 1.839147 
1 1 1   26    8  -14 o   33.004   0.8855  146.674   7.8497  154.226   9.5932  131.373   13.655   33.825   1.0559   31.094   1.6409 2.730888 1.951287 
1 1 1   26    8  -13 o   28.487   0.9580  109.311   7.3297  118.953   10.188   98.966   10.553   29.681   1.2780   27.013   1.4599 2.668829 1.940258 
1 1 1   26    8  -12 o   35.258   0.8479  167.342   8.0297  170.744   10.066  161.388   13.316   35.592   1.0529   34.550   1.4349 1.042271 1.779798 
1 1 1   26    8  -11 o   16.754   1.2448   38.090   5.5616   40.795   7.0176   33.522   9.1199   17.299   1.5260   15.520   2.2538 1.779163 2.721781 
1 1 1   26    8  -10 o   8.6524   2.2766   10.587   5.3622   9.9365   7.6932   11.201   7.4780   8.6617   2.8529   9.0260   2.7963 -0.3642969 3.994786 
1 1 1   26    8   -9 o   20.959   1.0308   59.187   5.8027   61.662   8.0842   56.558   8.3340   21.314   1.4202   20.391   1.5329 0.9236221 2.089715 
1 1 1   26    8   -8 o   16.965   1.2099   39.022   5.4771   38.456   7.9394   39.537   7.5656   16.747   1.7930   17.004   1.6784 -0.2575226 2.455963 
1 1 1   26    8   -7 f   25.083   0.9262   84.709   6.2394   85.051   9.0741   84.403   8.5933   25.060   1.3531   24.975   1.2854 0.8572006E-01 1.866354 
1 1 1   26    8   -6 o   54.124   0.7542  394.084   10.964  388.809   15.577  399.263   15.435   53.713   1.0797   54.435   1.0557 -0.7215271 1.510071 
1 1 1   26    8   -5 o   7.1360   2.3663   6.6204   5.2893   1.3748   7.7908   11.105   7.2040   6.4763   2.6988   8.9714   2.7388 -2.495074 3.845045 
1 1 1   26    8   -4 o   14.380   1.6400   28.344   6.2211   31.219   9.9331   26.488   7.9800   14.902   2.5748   13.775   2.2332 1.126507 3.408377 
1 1 1   26    8   -3 o   22.332   1.1680   67.421   6.9811   65.788   9.3194   69.509   10.538   21.996   1.5881   22.584   1.7510 -0.5873508 2.363882 
1 1 1   26    8   -2 f   38.952   0.8132  204.156   8.5076  191.646   12.114  216.331   11.951   37.698   1.1964   40.064   1.1106 -2.365761 1.632397 
1 1 1   26    8   -1 o   41.580   0.9324  232.765   10.413  200.775   18.445  247.731   12.616   38.489   1.7842   42.875   1.0955 -4.386398 2.093694 
1 1 1   26    8    0 o   16.385   1.5605   36.628   6.7843   50.689   10.595   26.857   8.8324   19.199   2.0884   13.822   2.4697 5.376143 3.234294 
1 1 1   26    8    1 o   28.242   1.1410  107.519   8.6549   92.976   13.807  116.932   11.108   26.091   1.9851   29.424   1.4056 -3.332972 2.432367 
1 1 1   26    8    2 f   40.170   0.9217  217.242   9.9447  219.934   15.550  215.378   12.936   40.348   1.4349   39.963   1.2052 0.3851700 1.873845 
1 1 1   26    8    3 o   18.791   1.4322   47.975   7.1742   50.356   11.836   46.592   9.0198   19.072   2.3611   18.446   1.8454 0.6262245 2.996685 
1 1 1   26    8    4 o   26.323   1.1858   93.438   8.3839   90.217   12.907   95.790   11.027   25.719   1.8815   26.569   1.5520 -0.8502407 2.439004 
1 1 1   26    8    5 o   25.466   1.0791   87.391   7.3807   88.075   11.051   86.840   9.9167   25.459   1.6246   25.307   1.4652 0.1522408 2.187699 
1 1 1   26    8    6 o   34.446   0.9199  159.748   8.5110  147.792   12.667  169.588   11.491   33.073   1.4260   35.459   1.2066 -2.385487 1.867943 
1 1 1   26    8    7 f   29.523   0.9980  117.405   7.9137  115.547   11.724  118.961   10.726   29.195   1.5002   29.681   1.3454 -0.4860611 2.015101 
1 1 1   26    8    8 o   23.458   1.2399   74.455   7.7846   75.447   12.599   73.842   9.9004   23.472   2.0181   23.305   1.5911 0.1671028 2.569907 
1 1 1   26    8    9 o   7.3511   2.6348   6.3465   6.6057   14.714   9.0831  -3.0471   9.6242   10.247   3.0635   6.3659   2.8244 3.881424 4.166811 
1 1 1   26    8   10 o   39.101   0.9314  205.887   9.7821  214.088   14.295  198.665   13.415   39.814   1.3367   38.359   1.3021 1.455448 1.866072 
1 1 1   26    8   11 o   41.976   0.8884  237.228   10.017  236.554   13.984  237.938   14.355   41.866   1.2436   41.983   1.2730 -0.1172523 1.779637 
1 1 1   26    8   12 o   13.924   1.8123   26.744   6.6170   23.666   9.0187   30.332   9.7386   12.895   2.6909   14.671   2.5647 -1.776239 3.717319 
1 1 1   26    8   13 o   90.472   1.0430  1103.21   25.346  1098.08   37.328  1107.60   34.525   90.070   1.5430   90.513   1.4201 -0.4435959 2.097055 
1 1 1   26    8   14 o   12.812   2.0618   22.898   6.8544   38.252   9.1404   3.1696   10.361   16.630   2.0927   7.6763   3.1470 8.953211 3.779324 
1 1 1   26    8   15 o   64.082   0.8520  552.872   14.665  579.479   21.495  529.703   20.059   65.520   1.2214   62.651   1.1920 2.869598 1.706703 
1 1 1   26    8   16 o   55.108   0.8502  408.884   12.585  400.886   16.738  419.287   19.088   54.511   1.1432   55.716   1.2755 -1.205673 1.712876 
1 1 1   26    8   17 o   26.640   1.1395   95.756   8.1533   88.338   10.510  106.970   12.922   25.492   1.5422   28.021   1.7253 -2.528358 2.314076 
1 1 1   26    8   18 o   20.778   1.3027   58.572   7.2336   62.886   9.7364   53.257   10.807   21.458   1.7033   19.652   2.0790 1.806515 2.687656 
1 1 1   26    8   19 o   60.246   0.9085  488.985   14.701  503.826   20.898  474.444   20.685   61.060   1.2743   59.245   1.2999 1.814651 1.820305 
1 1 1   26    8   20 o   24.806   1.3511   83.479   8.9679   71.241   11.687  101.006   13.986   22.786   1.9276   27.158   1.9299 -4.372158 2.727727 
1 1 1   26    8   21 o   36.102   0.9559  175.700   9.2688  188.947   12.463  159.304   13.865   37.390   1.2410   34.280   1.5059 3.109657 1.951363 
1 1 1   26    8   22 f   28.637   1.1479  110.766   8.8296  108.795   11.075  114.204   14.627   28.294   1.4623   28.877   1.8963 -0.5827045 2.394698 
1 1 1   26    8   23 o   55.996   0.9214  422.723   13.858  417.076   17.371  432.606   22.982   55.557   1.1641   56.461   1.5154 -0.9043617 1.910957 
1 1 1   26    8   24 o   8.4958   2.8275   9.6423   7.5498   10.942   9.5169   7.4353   12.401   9.1715   3.1728   8.9602   3.5212 0.2112579 4.739771 
1 1 1   26    8   25 o   19.574   1.4395   52.263   7.5152   54.339   9.9908   49.557   11.405   19.851   1.8969   18.832   2.3029 1.019096 2.983508 
1 1 1   26    8   26 o   10.178   2.6822   14.949   7.4355   22.911   9.1748  -0.2886   12.692   12.580   2.7886   7.7130   3.3364 4.866725 4.348291 
1 1 1   26    8   27 o   61.114   0.9385  503.959   15.405  501.803   19.368  507.670   25.415   60.898   1.1841   61.091   1.5489 -0.1925430 1.949664 
1 1 1   26    8   28 o   20.315   1.4310   56.317   7.7582   56.548   10.350   56.022   11.721   20.228   1.9284   20.044   2.2142 0.1841316 2.936203 
1 1 1   26    8   29 o   23.604   1.2895   75.741   8.1446   88.439   10.818   59.127   12.375   25.434   1.5916   20.571   2.2779 4.863104 2.778824 
1 1 1   26    8   30 o   6.8719   2.8221   2.6569   8.3500  -0.8781   11.116   7.2353   12.650   7.1302   3.1032   8.9306   3.5414 -1.800431 4.708688 
1 1 1   26    8   31 o   14.062   2.0169   27.681   7.3996   32.958   10.312   22.079   10.624   15.178   2.6244   12.246   3.1960 2.932511 4.135467 
1 1 1   26    8   32 o   36.442   0.9849  179.345   9.6400  162.703   13.161  198.607   14.159   34.606   1.4160   38.246   1.3784 -3.639629 1.976059 
1 1 1   26    8   33 o   16.832   1.7807   39.176   7.9284   46.001   10.821   31.265   11.650   18.101   2.2760   14.610   3.0666 3.490412 3.818939 
1 1 1   26    8   34 o   28.082   1.1662  106.816   8.7961  110.267   12.005  102.817   12.924   28.390   1.5807   27.347   1.7691 1.042358 2.372375 
1 1 1   26    8   35 f   36.072   0.9980  175.918   9.6691  171.974   13.182  180.512   14.227   35.557   1.3802   36.403   1.4550 -0.8462830 2.005530 
1 1 1   26    8   36 o   29.341   1.1838  116.811   9.3295  126.428   13.619  108.308   12.806   30.326   1.6786   28.050   1.7079 2.275478 2.394686 
1 1 1   26    8   37 o   11.281   2.8349   18.882   8.5795   15.683   11.408   23.048   13.017   10.419   3.4761   12.284   3.6663 -1.865041 5.052272 
1 1 1   26    8   38 o   11.433   2.9353   19.626   9.0599   25.645   12.147   12.080   13.601   12.899   3.4421   9.8124   3.7320 3.086344 5.077024 
1 1 1   26    8   39 o   13.844   2.5578   28.174   9.1605   27.695   12.388   28.751   13.608   13.326   3.4381   13.481   3.6629 -0.1542473 5.023659 
1 1 1   26    8   40 o   12.551   3.4279   24.858   11.882   37.811   15.605   6.9843   18.330   15.277   3.8145   9.5760   4.0731 5.701227 5.580412 
1 1 1   26    8   41 o   24.676   1.8816   85.924   12.377  104.555   21.410   76.573   15.168   26.212   3.1011   22.865   2.5112 3.347700 3.990339 
1 1 1   26    8   42 o   11.542   3.9727   22.112   14.911   13.723   19.096   35.220   23.870   10.334   4.2586   13.657   4.9925 -3.322439 6.562080 
1 1 1   26    8   43 f   8.3676   3.4731   6.9509   12.829   0.7285   18.776   12.400   17.571   8.5985   3.8703   9.8496   4.0744 -1.251111 5.619617 
1 1 1   26    9  -36 o   23.095   2.3434   75.770   14.335   77.999   19.970   73.400   20.591   22.814   3.3596   21.944   3.6197 0.8696804 4.938518 
1 1 1   26    9  -35 o   25.463   2.0424   90.485   13.851  108.517   19.699   72.852   19.480   27.529   2.6989   22.117   3.3870 5.411795 4.330816 
1 1 1   26    9  -34 o   9.0278   3.4422   9.2752   11.589   11.542   16.525   7.0816   16.256   10.305   4.0599   9.5515   3.9318 0.7533140 5.651758 
1 1 1   26    9  -33 o   48.857   1.0839  323.116   14.223  334.259   20.052  311.833   20.178   49.510   1.5079   47.789   1.5720 1.721146 2.178335 
1 1 1   26    9  -32 o   16.149   2.2274   36.738   9.4043   60.991   13.451   13.548   13.153   20.787   2.4567   10.237   3.7115 10.55029 4.450960 
1 1 1   26    9  -31 o   18.612   2.3495   48.765   11.483   51.950   16.080   45.450   16.405   18.826   3.3004   17.442   3.6203 1.384712 4.898893 
1 1 1   26    9  -30 o   27.125   1.3938  100.211   10.120   90.931   13.969  110.463   14.682   25.627   2.0464   28.301   1.9433 -2.673344 2.822089 
1 1 1   26    9  -29 f   31.230   1.4883  132.696   12.484  114.333   20.966  142.783   15.539   28.419   2.7825   32.252   1.8010 -3.833321 3.314539 
1 1 1   26    9  -28 o   19.181   1.9100   50.928   9.7087   51.279   14.352   50.633   13.183   18.884   2.9240   18.861   2.6774 0.2348518E-01 3.964674 
1 1 1   26    9  -27 o   7.9273   3.1408   5.4731   9.9417   9.6505   12.068  -3.3481   17.537   9.2776   3.5186   8.5775   3.8088 0.7000341 5.185264 
1 1 1   26    9  -26 o   46.118   1.0657  287.476   13.201  291.166   18.679  283.794   18.658   46.265   1.5032   45.669   1.5211 0.5964355 2.138519 
1 1 1   26    9  -25 o   44.733   1.2227  270.970   14.690  278.271   18.129  257.007   25.070   45.240   1.4919   43.133   2.1710 2.107433 2.634194 
1 1 1   26    9  -24 o   13.937   2.3777   27.564   8.5812   35.052   12.329   20.526   11.951   15.527   3.0650   11.845   3.5080 3.682168 4.658306 
1 1 1   26    9  -23 o   26.358   1.3850   94.490   9.7710   78.153   14.152  109.370   13.507   23.714   2.2489   28.248   1.7895 -4.534285 2.873952 
1 1 1   26    9  -22 o   18.386   2.1004   46.966   10.187   38.327   17.140   51.684   12.666   15.965   4.0042   19.165   2.5219 -3.200254 4.732205 
1 1 1   26    9  -21 o   8.4854   2.9536   9.1987   8.2534   10.172   11.986   8.3208   11.382   9.4273   3.5212   8.9127   3.4082 0.5146399 4.900451 
1 1 1   26    9  -20 o   9.0588   2.8773   11.323   7.8680  -2.6310   11.725   22.756   10.612   7.1044   3.1364   12.497   3.1598 -5.392752 4.452096 
1 1 1   26    9  -19 o   38.915   1.0718  204.408   11.203  183.950   16.133  223.456   15.568   36.794   1.6325   40.609   1.4273 -3.814659 2.168464 
1 1 1   26    9  -18 o   55.955   0.9995  422.265   15.022  431.038   21.720  414.219   20.799   56.407   1.4336   55.307   1.4002 1.100376 2.003919 
1 1 1   26    9  -17 o   31.042   1.2857  130.288   10.720  127.727   17.729  131.764   13.459   30.470   2.1807   31.116   1.6160 -0.6463814 2.714211 
1 1 1   26    9  -16 o   25.932   1.4093   91.289   9.7790   95.209   15.632   88.768   12.534   26.276   2.2363   25.473   1.8445 0.8024635 2.898800 
1 1 1   26    9  -15 o   22.309   1.0378   67.116   6.2184   71.718   7.3013   54.962   11.866   23.016   1.1851   19.914   2.2583 3.102175 2.550367 
1 1 1   26    9  -14 o   31.182   0.9993  131.073   8.3691  131.078   10.726  131.064   13.381   31.145   1.2822   31.047   1.6101 0.9734154E-01 2.058277 
1 1 1   26    9  -13 o   45.041   0.7488  273.012   9.0586  274.345   12.673  271.618   12.954   45.107   1.0460   44.877   1.0747 0.2298317 1.499693 
1 1 1   26    9  -12 o   25.272   1.0269   86.097   6.9704   82.959   8.3642   93.232   12.611   24.751   1.2624   26.133   1.8078 -1.382259 2.204911 
1 1 1   26    9  -11 o   21.791   1.2078   64.293   7.0412   57.099   9.5993   72.673   10.360   20.433   1.7665   23.087   1.6823 -2.654060 2.439384 
1 1 1   26    9  -10 o   21.517   1.0316   62.407   5.9620   55.375   8.1583   70.467   8.7342   20.169   1.5171   22.780   1.4348 -2.611298 2.088161 
1 1 1   26    9   -9 o   39.801   0.7756  213.186   8.2913  211.044   11.520  215.488   11.942   39.561   1.0842   39.971   1.1124 -0.4099884 1.553324 
1 1 1   26    9   -8 o   31.705   0.9087  135.379   7.7384  139.345   10.127  129.813   11.997   32.136   1.1732   30.980   1.4418 1.155750 1.858820 
1 1 1   26    9   -7 o   35.135   0.8868  166.225   8.3688  168.679   10.981  162.826   12.925   35.360   1.1562   34.707   1.3866 0.6533012 1.805391 
1 1 1   26    9   -6 o   11.371   2.0499   18.128   6.0302   18.126   7.9369   18.132   9.2745   11.264   2.6650   11.253   3.0099 0.1154709E-01 4.020139 
1 1 1   26    9   -5 o   45.813   0.8608  282.563   10.592  277.242   15.173  287.621   14.794   45.318   1.2465   46.169   1.1930 -0.8505707 1.725399 
1 1 1   26    9   -4 o   38.401   0.8555  198.519   8.8241  194.056   11.761  204.268   13.348   37.929   1.1544   38.895   1.2777 -0.9658661 1.721966 
1 1 1   26    9   -3 o   27.245   0.9518   99.983   6.9651   94.501   9.8323  105.505   9.8680   26.406   1.3912   27.949   1.3145 -1.542620 1.913998 
1 1 1   26    9   -2 o   34.940   0.8460  164.340   7.9391  171.726   11.274  157.074   11.182   35.678   1.1765   34.116   1.2203 1.561813 1.695043 
1 1 1   26    9   -1 o   54.097   0.7786  393.804   11.313  392.978   16.122  394.606   15.880   53.985   1.1119   54.100   1.0928 -0.1154442 1.559011 
1 1 1   26    9    0 o   33.922   0.8993  154.947   8.1935  141.572   12.168  166.040   11.082   32.364   1.3999   35.082   1.1761 -2.718426 1.828332 
1 1 1   26    9    1 o   12.279   2.3038   21.240   7.3187   19.832   13.203   21.864   8.7934   11.890   3.7208   12.379   2.7190 -0.4890413 4.608417 
1 1 1   26    9    2 o   17.655   1.7139   42.650   8.0250   43.753   10.589   41.162   12.300   17.763   2.2716   17.090   2.7748 0.6730843 3.586054 
1 1 1   26    9    3 o   4.2697   2.0220  -7.2535   6.1754  -1.8405   9.3104 -11.5055   8.2518   6.4359   2.8195   4.7263   2.2655 1.709542 3.616909 
1 1 1   26    9    4 o   22.426   1.2290   68.078   7.3746   49.933   11.131   82.275   9.8456   19.004   2.2226   24.616   1.4963 -5.611677 2.679328 
1 1 1   26    9    5 o   7.1014   2.6226   5.5199   6.6121   11.227   10.049   1.1622   8.7809   9.3987   3.2598   6.7790   2.8479 2.619672 4.328556 
1 1 1   26    9    6 o   15.109   1.5788   31.243   6.3124   34.410   8.7401   27.790   9.1266   15.753   2.1194   14.037   2.5131 1.716702 3.287460 
1 1 1   26    9    7 o   37.471   0.9100  189.092   9.1588  193.639   13.602  185.321   12.388   37.857   1.3377   37.050   1.2448 0.8069839 1.827343 
1 1 1   26    9    8 o   29.517   1.0154  117.421   8.0505  110.077   10.485  127.968   12.565   28.538   1.3679   30.747   1.5215 -2.208626 2.046022 
1 1 1   26    9    9 o   42.428   0.8285  242.330   9.4419  250.096   13.217  234.235   13.493   43.057   1.1429   41.658   1.2059 1.398323 1.661453 
1 1 1   26    9   10 o   12.546   1.9819   21.930   6.4565   24.586   8.8232   18.868   9.4730   13.161   2.5883   11.464   3.0305 1.696644 3.985379 
1 1 1   26    9   11 o   23.653   1.1741   75.503   7.4592   86.106   9.8645   61.345   11.399   25.183   1.4647   21.124   2.0342 4.059303 2.506686 
1 1 1   26    9   12 o   10.798   2.3818   16.582   6.7224   19.940   9.1711   12.683   9.8824   11.778   2.9148   9.7383   3.2347 2.039667 4.354249 
1 1 1   26    9   13 o   60.889   0.8715  499.294   14.253  491.749   18.526  510.240   22.312   60.366   1.1426   61.431   1.3523 -1.065315 1.770339 
1 1 1   26    9   14 o   13.385   1.8708   24.831   6.5419   24.741   8.7209   24.948   9.8929   13.201   2.5519   13.184   2.8747 0.1703262E-01 3.844018 
1 1 1   26    9   15 o   26.100   1.1666   91.965   8.1780   97.451   11.515   86.382   11.617   26.756   1.6098   25.159   1.7296 1.597837 2.362830 
1 1 1   26    9   16 o   19.472   1.4424   51.615   7.4901   51.523   9.7541   51.748   11.693   19.359   1.9004   19.299   2.3011 0.5991364E-01 2.984395 
1 1 1   26    9   17 o   13.422   2.0726   25.163   7.2310   22.310   9.1041   30.038   11.901   12.459   2.7901   14.402   3.1631 -1.943681 4.217800 
1 1 1   26    9   18 o   36.229   0.9908  177.000   9.6407  173.699   12.026  182.938   16.127   35.845   1.2491   36.700   1.6361 -0.8544197 2.058399 
1 1 1   26    9   19 o   13.952   2.4714   27.580   8.9222   27.322   10.842   28.122   15.703   13.741   3.0202   13.806   4.0021 -0.6552505E-01 5.013778 
1 1 1   26    9   20 o   24.716   1.2823   82.874   8.4834   83.485   10.417   81.673   14.617   24.743   1.5757   24.277   2.2679 0.4664879 2.761594 
1 1 1   26    9   21 o   32.061   1.0822  138.819   9.3188  145.700   11.608  126.344   15.630   32.801   1.3175   30.344   1.9277 2.457159 2.334934 
1 1 1   26    9   22 o   35.302   1.0435  168.282   9.8941  171.686   12.363  162.219   16.500   35.605   1.2928   34.434   1.7902 1.171310 2.208197 
1 1 1   26    9   23 o   31.022   1.1090  130.078   9.2405  131.092   12.166  128.695   14.207   31.071   1.4578   30.670   1.7317 0.4011078 2.263584 
1 1 1   26    9   24 o   4.4922   2.1199  -7.2560   6.6807  -4.6658   8.8495 -10.6881   10.187   5.7773   2.6232   5.5487   2.6183 0.2285714 3.706299 
1 1 1   26    9   25 o   11.048   2.4471   17.559   7.0699   13.225   9.3036   23.481   10.876   9.7282   3.1329   12.630   3.2019 -2.901496 4.479658 
1 1 1   26    9   26 o   24.302   1.2398   80.209   8.0656   78.751   10.631   82.186   12.381   23.973   1.6613   24.418   1.9028 -0.4449139 2.525991 
1 1 1   26    9   27 o   29.531   1.1041  117.944   8.7578  125.782   11.687  107.904   13.227   30.424   1.4302   28.041   1.7652 2.383133 2.271815 
1 1 1   26    9   28 o   18.670   1.5451   47.780   7.6786   54.637   10.244   38.988   11.600   19.862   1.9453   16.497   2.7121 3.364695 3.337575 
1 1 1   26    9   29 f   23.840   1.4829   77.603   9.4485   74.075   12.531   82.251   14.384   23.121   2.0387   24.301   2.2286 -1.180489 3.020461 
1 1 1   26    9   30 o   22.153   1.3955   66.925   8.2611   69.563   10.792   63.192   12.839   22.474   1.8030   21.253   2.2851 1.221399 2.910725 
1 1 1   26    9   31 o   13.338   2.1720   25.156   7.5135   16.188   10.005   36.755   11.378   10.578   3.2272   15.982   2.7499 -5.403172 4.239894 
1 1 1   26    9   32 o   28.650   1.2309  111.302   9.4718  102.734   12.658  122.206   14.279   27.346   1.7323   29.811   1.7916 -2.465479 2.492096 
1 1 1   26    9   33 o   20.465   1.6363   57.608   8.9190   52.657   12.057   63.591   13.255   19.309   2.3749   21.247   2.3626 -1.938608 3.349951 
1 1 1   26    9   34 o   31.863   1.1965  137.769   10.240  136.315   13.992  139.447   15.028   31.504   1.6594   31.819   1.7653 -0.3145599 2.422778 
1 1 1   26    9   35 o   10.318   2.7537   15.690   7.7734   9.1770   10.540   23.457   11.511   8.7754   3.2972   12.445   3.3635 -3.669723 4.710054 
1 1 1   26    9   36 o   28.328   1.2569  109.284   9.5634  104.667   13.872  113.466   13.202   27.424   1.8950   28.643   1.7240 -1.219522 2.561872 
1 1 1   26    9   37 o   19.562   1.9717   53.843   10.218   50.997   12.886   58.663   16.770   18.706   2.6380   19.687   3.2874 -0.9803123 4.215012 
1 1 1   26    9   38 o   23.058   1.7173   74.101   10.559   71.295   13.505   78.514   16.938   22.307   2.2863   23.082   2.7887 -0.7741623 3.606112 
1 1 1   26    9   39 o   11.278   3.2714   19.939   10.489   21.205   14.984   18.721   14.689   11.527   3.9816   11.005   3.9307 0.5219412 5.594926 
1 1 1   26    9   40 o   12.465   3.9669   26.122   14.950   56.606   19.375 -18.7300   23.501   18.351   4.0403   8.0445   3.8473 10.30618 5.579039 
1 1 1   26    9   41 o   8.9873   3.5998   9.9867   13.198   0.5143   19.782   17.586   17.719   8.7941   3.9642   10.713   4.2093 -1.918427 5.782090 
1 1 1   26    9   42 o   8.1280   3.3850   6.4107   12.245   5.8598   17.781   6.9076   16.888   8.9456   3.9083   8.9463   3.8592 -0.7057190E-03 5.492565 
1 1 1   26   10  -35 o   11.184   3.8475   18.750   13.985   23.338   17.852   11.460   22.500   12.285   4.3390   10.913   4.5702 1.372025 6.301913 
1 1 1   26   10  -34 o   29.671   2.2689  124.177   17.945  132.800   33.760  120.782   21.186   28.816   4.5098   28.935   2.7595 -0.1185360 5.287098 
1 1 1   26   10  -33 o   8.9675   3.4935   8.6547   12.122   8.2897   17.291   9.0075   16.998   9.8711   4.0582   9.9265   4.0457 -0.5545044E-01 5.730333 
1 1 1   26   10  -32 o   7.5089   3.1443   2.6292   10.649  -6.8816   18.711   7.1856   12.951   8.3872   3.8106   8.8926   3.5644 -0.5054274 5.217820 
1 1 1   26   10  -31 o   11.062   2.9673   18.032   8.9984   25.814   12.366   9.2739   13.119   13.095   3.4628   9.3397   3.6355 3.755505 5.020767 
1 1 1   26   10  -30 o   8.4745   3.0195   9.1173   8.6628   10.643   12.332   7.6311   12.172   9.4881   3.5661   8.8536   3.4856 0.6344519 4.986651 
1 1 1   26   10  -29 o   24.893   1.5218   84.733   10.126   93.975   14.386   75.662   14.254   26.025   2.0754   23.243   2.3140 2.782318 3.108376 
1 1 1   26   10  -28 o   37.395   1.1662  189.373   11.713  191.366   16.392  187.294   16.743   37.442   1.6300   37.022   1.6838 0.4205437 2.343512 
1 1 1   26   10  -27 o   38.689   1.3469  203.257   13.997  210.522   24.702  199.822   16.986   38.859   2.3782   38.254   1.6532 0.6048126 2.896383 
1 1 1   26   10  -26 o   17.744   2.0290   43.860   9.4961   48.802   13.367   38.825   13.493   18.455   2.7830   16.260   3.2035 2.195284 4.243569 
1 1 1   26   10  -25 o   24.974   1.6814   85.550   11.212   91.207   13.418   72.457   20.412   25.695   1.9590   22.189   3.5443 3.506163 4.049605 
1 1 1   26   10  -24 o   32.051   1.3808  139.526   11.887  146.028   14.682  127.153   20.253   32.661   1.6793   30.110   2.5277 2.551722 3.034665 
1 1 1   26   10  -23 o   15.247   2.2569   32.773   8.9637   32.770   12.366   32.776   13.012   14.937   3.1800   14.884   3.3371 0.5231285E-01 4.609621 
1 1 1   26   10  -22 o   21.243   1.6359   61.868   9.2618   61.173   13.052   62.573   13.145   20.892   2.3678   21.137   2.3555 -0.2451077 3.339864 
1 1 1   26   10  -21 o   33.290   1.2008  150.014   10.737  143.637   15.126  156.492   15.244   32.388   1.7452   33.875   1.6755 -1.486588 2.419272 
1 1 1   26   10  -20 o   47.994   1.1874  311.666   15.307  308.526   26.009  313.329   18.932   47.405   2.0427   48.027   1.4677 -0.6215706 2.515314 
1 1 1   26   10  -19 o   45.942   1.1807  285.483   14.570  270.507   24.524  293.653   18.113   44.400   2.0565   46.510   1.4499 -2.110424 2.516213 
1 1 1   26   10  -18 o   36.179   1.1248  176.887   10.930  195.850   16.172  160.940   14.830   37.953   1.5865   34.399   1.6051 3.553432 2.256844 
1 1 1   26   10  -17 o   9.9071   2.8271   14.043   7.8930   12.619   11.781   15.202   10.632   9.9362   3.5233   10.429   3.3481 -0.4930496 4.860376 
1 1 1   26   10  -16 o   7.1456   2.2646   6.9290   4.8759   8.4190   5.4589   1.0496   10.844   7.7965   2.3848   7.3952   3.1388 0.4012713 3.941979 
1 1 1   26   10  -15 o   12.813   1.7140   22.717   5.7510   18.891   6.8267   32.069   10.673   11.536   2.2840   14.987   2.7529 -3.450940 3.577067 
1 1 1   26   10  -14 o   22.981   0.9541   71.206   5.8893   67.804   8.0534   75.117   8.6344   22.342   1.3483   23.515   1.3730 -1.173256 1.924384 
1 1 1   26   10  -13 o   25.380   0.9762   86.856   6.6550   96.743   8.5791   71.919   10.545   26.759   1.1936   22.935   1.7245 3.823971 2.097268 
1 1 1   26   10  -12 o   14.562   1.5694   29.089   6.0412   30.198   8.7648   28.086   8.3383   14.672   2.2998   14.146   2.2715 0.5260601 3.232450 
1 1 1   26   10  -11 o   36.511   0.8110  179.495   7.9534  184.254   11.042  174.363   11.466   36.948   1.1126   35.930   1.1881 1.017944 1.627747 
1 1 1   26   10  -10 o   43.339   0.8738  253.013   10.171  254.526   12.633  250.226   17.148   43.434   1.0829   42.977   1.4855 0.4562340 1.838363 
1 1 1   26   10   -9 o   40.222   0.8009  217.813   8.6524  220.616   11.833  214.593   12.684   40.437   1.0895   39.865   1.1846 0.5725632 1.609431 
1 1 1   26   10   -8 o   27.460   0.9156  101.592   6.7527   99.986   9.5151  103.222   9.5847   27.197   1.3026   27.635   1.2913 -0.4382191 1.834144 
1 1 1   26   10   -7 o   40.866   0.7932  224.821   8.7060  220.615   12.233  229.137   12.393   40.433   1.1264   41.208   1.1197 -0.7747421 1.588256 
1 1 1   26   10   -6 o   60.557   0.8202  493.739   13.341  501.868   20.016  487.240   17.896   60.960   1.2225   60.095   1.1088 0.8650513 1.650382 
1 1 1   26   10   -5 o   43.334   0.8376  252.848   9.7485  264.460   13.152  238.687   14.523   44.275   1.1059   42.028   1.2866 2.246437 1.696558 
1 1 1   26   10   -4 o   17.226   1.3255   40.345   6.0860   44.165   8.8118   36.860   8.4156   17.928   1.8569   16.340   1.9565 1.588181 2.697371 
1 1 1   26   10   -3 o   36.073   0.8350  175.201   8.0905  173.855   11.494  176.524   11.390   35.886   1.1925   36.163   1.1726 -0.2775879 1.672457 
1 1 1   26   10   -2 o   23.288   1.1130   73.162   6.9615   76.721   9.6436   69.290   10.060   23.753   1.5195   22.538   1.6737 1.215019 2.260590 
1 1 1   26   10   -1 o   19.932   1.3245   53.932   7.0505   56.909   9.8802   50.844   10.064   20.383   1.8240   19.223   1.9774 1.159838 2.690230 
1 1 1   26   10    0 o   20.201   1.3253   55.391   7.1512   54.780   9.4477   56.211   10.943   20.005   1.7768   20.206   2.0445 -0.2008648 2.708679 
1 1 1   26   10    1 o   49.257   0.8793  326.756   11.633  333.258   14.989  316.908   18.447   49.700   1.1229   48.399   1.4191 1.301216 1.809599 
1 1 1   26   10    2 o   47.774   0.9422  307.517   12.090  321.143   16.359  291.118   17.946   48.761   1.2491   46.382   1.4406 2.379124 1.906659 
1 1 1   26   10    3 o   20.704   1.6720   58.529   9.2184   48.010   13.994   66.592   12.253   18.413   2.9276   21.994   2.0996 -3.581505 3.602658 
1 1 1   26   10    4 o   19.715   1.5722   53.004   8.2564   47.007   9.6063   69.960   16.152   18.477   1.9659   22.360   2.7472 -3.882658 3.378166 
1 1 1   26   10    5 o   47.945   1.0081  309.876   12.982  313.001   16.533  304.851   20.965   48.130   1.2789   47.405   1.6466 0.7254791 2.084920 
1 1 1   26   10    6 o   29.346   1.3754  116.477   10.841  118.337   16.149  114.952   14.627   29.382   2.0594   29.003   1.8879 0.3782425 2.793809 
1 1 1   26   10    7 o   33.849   1.1887  154.699   10.807  157.995   13.105  147.693   19.107   34.167   1.4280   32.798   2.1814 1.369186 2.607249 
1 1 1   26   10    8 o   29.073   1.0817  114.028   8.4470  126.137   10.512   91.956   14.192   30.551   1.2810   25.879   2.0588 4.671778 2.424778 
1 1 1   26   10    9 o   28.227   1.1125  107.518   8.4340  104.550   10.466  113.016   14.245   27.759   1.4083   28.759   1.8540 -1.000015 2.328182 
1 1 1   26   10   10 o   13.380   2.0570   24.983   7.1556   31.305   8.6483   11.262   12.741   14.970   2.2180   9.8472   3.6398 5.122708 4.262337 
1 1 1   26   10   11 o   15.184   1.8536   31.837   7.4027   39.683   9.4281   19.225   11.954   16.912   2.1224   11.606   3.5245 5.305057 4.114229 
1 1 1   26   10   12 o   10.558   2.6728   15.994   7.5867   13.994   9.8402   18.923   11.913   10.063   3.2201   11.522   3.5227 -1.458793 4.772678 
1 1 1   26   10   13 o   16.068   1.7416   35.509   7.3956   33.832   9.1687   38.632   12.512   15.554   2.2609   16.440   2.9416 -0.8859959 3.710075 
1 1 1   26   10   14 o   23.134   1.4348   72.787   8.8712   72.074   11.726   73.741   13.565   22.906   1.9238   23.090   2.2145 -0.1831284 2.933401 
1 1 1   26   10   15 o   15.883   1.7875   34.776   7.4933   48.255   9.4816   12.353   12.230   18.711   1.9136   9.9642   3.5836 8.746593 4.062556 
1 1 1   26   10   16 o   9.8917   2.4874   14.029   6.6018   23.811   8.8629   1.8360   9.8949   12.890   2.6486   7.2376   3.0309 5.652179 4.025077 
1 1 1   26   10   17 o   14.806   1.7254   30.243   6.7329   29.877   9.1460   30.676   9.9479   14.533   2.4288   14.675   2.6200 -0.1419010 3.572540 
1 1 1   26   10   18 o   23.242   1.4278   73.545   8.8700   80.326   11.436   63.307   14.052   24.208   1.7712   21.250   2.5106 2.958147 3.072503 
1 1 1   26   10   19 o   40.475   0.9276  220.983   10.084  231.405   13.426  207.491   15.276   41.355   1.2087   39.094   1.4547 2.260525 1.891349 
1 1 1   26   10   20 o   19.641   1.4464   52.660   7.5766   58.101   10.040   45.462   11.547   20.537   1.8396   17.962   2.4580 2.575762 3.070177 
1 1 1   26   10   21 o   37.097   0.9537  185.747   9.5025  184.083   12.495  188.031   14.635   36.862   1.2620   37.198   1.4648 -0.3368683 1.933443 
1 1 1   26   10   22 o   17.863   1.6321   43.846   7.7443   53.005   10.377   32.331   11.635   19.550   2.0045   14.900   3.0109 4.649285 3.617144 
1 1 1   26   10   23 o   21.320   1.3594   61.942   7.7440   62.690   10.287   60.964   11.764   21.330   1.8128   20.935   2.1216 0.3952942 2.790544 
1 1 1   26   10   24 o   31.183   1.0553  131.453   8.8391  129.040   11.877  134.448   13.234   30.810   1.4352   31.412   1.5685 -0.6020527 2.126077 
1 1 1   26   10   25 o   21.403   1.3965   62.498   7.9840   66.591   10.640   57.223   12.078   21.979   1.8188   20.218   2.2629 1.760609 2.903249 
1 1 1   26   10   26 o   16.276   1.7629   36.650   7.5837   37.025   9.9766   36.136   11.672   16.178   2.3660   15.805   2.8544 0.3722677 3.707494 
1 1 1   26   10   27 o   16.848   1.7583   39.238   7.8395   37.034   10.322   42.242   12.051   16.147   2.4576   17.176   2.7014 -1.028763 3.652091 
1 1 1   26   10   28 o   30.472   1.2660  125.933   10.361  127.742   13.748  123.554   15.763   30.531   1.6831   29.913   1.9730 0.6178474 2.593368 
1 1 1   26   10   29 o   21.039   1.4727   60.540   8.2696   69.285   11.138   49.799   12.345   22.395   1.8687   18.739   2.5163 3.656406 3.134315 
1 1 1   26   10   30 o   40.820   1.0405  225.361   11.407  218.937   15.669  232.604   16.639   40.099   1.4549   41.314   1.4995 -1.215015 2.089274 
1 1 1   26   10   31 o   12.963   2.4864   24.225   8.3422   26.656   11.306   21.320   12.360   13.380   3.1907   11.951   3.5739 1.429491 4.790961 
1 1 1   26   10   32 o   27.780   1.2371  104.809   9.2307  101.235   12.360  109.317   13.880   27.117   1.7057   28.124   1.8478 -1.006655 2.514696 
1 1 1   26   10   33 o   19.446   1.6020   52.151   8.2931   51.720   10.901   52.742   12.777   19.166   2.1550   19.190   2.5416 -0.2323341E-01 3.332185 
1 1 1   26   10   34 o   29.633   1.2499  119.544   9.9486  116.006   12.344  126.100   16.805   29.031   1.5892   30.004   2.0984 -0.9736977 2.632279 
1 1 1   26   10   35 o   4.8011   2.3095 -11.9054   8.7479   5.2599   11.222 -38.4965   13.967   8.0382   3.2829   4.8428   2.4324 3.195410 4.085813 
1 1 1   26   10   36 o   17.117   2.1531   41.864   9.6799   51.201   12.510   27.933   15.280   18.740   2.5518   13.126   3.9847 5.614603 4.731742 
1 1 1   26   10   37 o   18.916   2.7809   53.305   13.707   52.953   14.811   55.410   36.194   18.667   3.0599   16.280   6.1114 2.387403 6.834633 
1 1 1   26   10   38 o   5.9592   2.8256 -11.3306   12.135 -10.8026   18.815 -11.7066   15.878   7.7056   3.6116   6.9540   3.2776 0.7515597 4.877076 
1 1 1   26   10   39 o   13.345   3.6021   29.524   13.211   14.366   19.353   42.753   18.080   10.405   4.2874   15.595   4.2156 -5.190467 6.012722 
1 1 1   26   10   40 o   16.640   3.1443   44.006   13.538   52.073   19.765   36.876   18.581   16.969   4.3240   14.093   4.4146 2.875978 6.179466 
1 1 1   26   10   41 o   7.5676   3.3038   2.5852   12.684  -7.1738   17.963   12.291   17.914   7.5849   3.5467   9.6934   4.0697 -2.108509 5.398260 
1 1 1   26   11  -34 o   13.225   4.6929   28.960   20.905   28.960   20.905   0.0000   0.0000   13.225   4.6929  ?   ?  0.000000 4.692862 
1 1 1   26   11  -33 o   31.970   1.7785  141.904   15.211  144.330   22.215  139.762   20.871   31.636   2.6385   31.230   2.5094 0.4055443 3.641279 
1 1 1   26   11  -32 o   7.6460   3.2496   2.1615   11.650  -4.6157   16.564   8.7961   16.389   8.0191   3.6200   9.7194   3.9682 -1.700354 5.371268 
1 1 1   26   11  -31 o   31.086   1.5024  132.154   12.544  122.095   21.052  137.691   15.620   29.188   2.7166   31.534   1.8523 -2.346514 3.288004 
1 1 1   26   11  -30 o   18.981   1.8477   50.061   9.3004   40.420   13.417   58.976   12.903   16.523   3.1381   20.395   2.4015 -3.871817 3.951509 
1 1 1   26   11  -29 o   11.810   2.8043   20.506   8.7625   29.358   12.394   11.659   12.390   13.984   3.3448   9.6773   3.5869 4.306387 4.904422 
1 1 1   26   11  -28 o   8.4338   3.0774   8.7075   9.0631   10.466   12.760   6.9174   12.875   9.5125   3.6155   8.8590   3.5529 0.6534986 5.069051 
1 1 1   26   11  -27 o   24.516   1.5134   82.227   9.9164   86.686   14.160   77.935   13.891   24.953   2.1333   23.618   2.2157 1.334772 3.075812 
1 1 1   26   11  -26 o   11.438   3.2585   19.309   10.495   18.870   18.472   19.519   12.753   11.889   4.3849   11.551   3.6626 0.3385420 5.713323 
1 1 1   26   11  -25 o   36.334   1.1636  178.826   11.355  158.855   15.852  199.874   16.274   34.023   1.7405   38.273   1.5831 -4.250183 2.352752 
1 1 1   26   11  -24 o   29.418   1.3071  117.489   10.328   98.678   14.552  136.581   14.661   26.681   2.0462   31.544   1.7371 -4.862616 2.684113 
1 1 1   26   11  -23 o   7.6996   3.2179   2.7213   11.122   12.448   11.554 -120.1000   41.057   9.7734   3.4866   7.9078   3.9966 1.865670 5.303633 
1 1 1   26   11  -22 o   28.121   1.9197  109.106   14.413  109.106   14.413   0.0000   0.0000   28.121   1.9197  ?   ?  0.000000 1.919745 
1 1 1   26   11  -21 o   31.721   1.2435  136.414   10.595  140.828   15.130  132.168   14.840   32.032   1.7655   31.020   1.7888 1.012245 2.513287 
1 1 1   26   11  -20 o   60.076   1.0286  487.772   16.597  506.845   23.950  470.152   23.020   61.043   1.4608   58.793   1.4578 2.249577 2.063710 
1 1 1   26   11  -19 o   26.056   1.3567   92.402   9.4622   59.847   13.337  125.393   13.426   20.618   2.4568   30.270   1.6577 -9.652044 2.963749 
1 1 1   26   11  -18 o   14.154   2.3177   28.380   8.5058   20.911   11.992   35.941   12.066   11.924   3.5093   15.745   2.9620 -3.820869 4.592182 
1 1 1   26   11  -17 o   66.328   1.1683  595.301   20.813  598.345   36.028  593.776   25.498   65.995   2.0326   66.115   1.4359 -0.1208115 2.488563 
1 1 1   26   11  -16 o   22.611   1.1469   69.319   6.9423   62.602   8.5108   82.675   12.001   21.413   1.4891   24.525   1.8352 -3.112028 2.363307 
1 1 1   26   11  -15 o   17.833   1.3170   43.324   6.2635   42.032   7.3598   46.717   11.928   17.508   1.5821   18.202   2.5063 -0.6934814 2.963902 
1 1 1   26   11  -14 o   27.079   0.9772   98.949   7.1075   89.196   10.188  108.195   9.9199   25.587   1.4890   28.262   1.3068 -2.675545 1.981109 
1 1 1   26   11  -13 o   23.500   1.1482   74.646   7.2475   80.795   11.466   70.555   9.3527   24.280   1.7705   22.738   1.5405 1.541664 2.346828 
1 1 1   26   11  -12 o   27.846   0.9262  104.562   6.9270  115.534   9.4476   91.808   10.187   29.230   1.2034   25.973   1.4662 3.256866 1.896846 
1 1 1   26   11  -11 o   60.871   0.8098  499.132   13.239  494.535   17.779  504.855   19.836   60.514   1.0938   61.105   1.2086 -0.5906410 1.630094 
1 1 1   26   11  -10 o   12.391   1.7277   21.285   5.5934   13.678   7.5006   30.816   8.3954   9.7817   2.7437   14.843   2.1699 -5.061338 3.498047 
1 1 1   26   11   -9 f   41.155   0.8419  228.189   9.3061  234.786   12.513  220.025   13.921   41.695   1.1173   40.327   1.2853 1.368320 1.703017 
1 1 1   26   11   -8 o   19.386   1.2226   51.003   6.3334   54.164   8.7328   47.496   9.1990   19.898   1.6489   18.574   1.8694 1.324076 2.492674 
1 1 1   26   11   -7 o   6.1344   2.4247   2.9818   5.9119   2.7780   9.2899   3.1205   7.6641   7.2363   2.9748   6.7828   2.7338 0.4534464 4.040184 
1 1 1   26   11   -6 o   22.697   1.1794   69.780   7.1648   80.093   9.6264   56.971   10.728   24.262   1.4844   20.332   1.9900 3.930447 2.482642 
1 1 1   26   11   -5 o   18.288   1.2733   45.440   6.2152   44.937   8.8211   45.936   8.7586   18.072   1.8431   18.282   1.8073 -0.2100983 2.581339 
1 1 1   26   11   -4 o   10.365   2.1857   15.250   5.8931   13.065   8.5176   17.256   8.1619   9.6657   2.9827   10.951   2.7723 -1.285014 4.072115 
1 1 1   26   11   -3 o   49.392   0.8310  328.574   11.024  335.044   16.367  323.203   14.914   49.791   1.2238   48.925   1.1349 0.8662834 1.669100 
1 1 1   26   11   -2 o   20.734   1.1922   58.268   6.6117   57.351   9.5233   59.123   9.1864   20.462   1.7496   20.799   1.6582 -0.3362522 2.410560 
1 1 1   26   11   -1 o   41.409   0.8431  230.963   9.3773  232.841   12.953  228.895   13.593   41.522   1.1614   41.155   1.2298 0.3673515 1.691520 
1 1 1   26   11    0 o   18.195   1.3148   45.009   6.3823   55.372   9.0322   34.675   9.0197   20.118   1.6871   15.771   2.1884 4.347350 2.763197 
1 1 1   26   11    1 o   46.818   0.8039  295.162   10.109  287.102   14.242  303.347   14.351   46.109   1.1499   47.401   1.1272 -1.291641 1.610287 
1 1 1   26   11    2 o   17.925   1.3696   43.739   6.5441   41.566   9.2156   45.948   9.2944   17.335   2.0170   18.260   1.9241 -0.9246101 2.787547 
1 1 1   26   11    3 o   26.477   1.1227   94.647   7.9842  107.451   12.580   86.010   10.332   28.072   1.6761   25.137   1.5377 2.935501 2.274607 
1 1 1   26   11    4 o   31.889   1.0032  137.150   8.5922  134.512   12.780  139.325   11.607   31.496   1.5108   32.086   1.3468 -0.5900230 2.023908 
1 1 1   26   11    5 o   9.6670   2.5676   13.358   6.7792   1.5304   10.051   23.229   9.1825   7.2431   3.0451   12.714   2.7675 -5.471255 4.114749 
1 1 1   26   11    6 o   14.096   2.3522   27.999   8.5915   24.307   11.496   32.669   12.931   12.912   3.3019   14.980   3.3026 -2.068501 4.670076 
1 1 1   26   11    7 o   36.381   1.0199  178.562   9.9662  187.845   15.388  171.855   13.080   37.208   1.5398   35.628   1.3669 1.580147 2.058964 
1 1 1   26   11    8 o   18.653   1.5251   47.512   7.5742   48.542   11.372   46.690   10.154   18.659   2.3191   18.356   2.0973 0.3026371 3.126801 
1 1 1   26   11    9 f   8.5957   2.6106   10.314   6.5578   17.035   9.1898   3.3408   9.3608   10.874   3.0323   7.3675   3.0024 3.506173 4.267281 
1 1 1   26   11   10 o   42.071   0.8847  238.547   9.9968  238.313   13.429  238.838   14.972   41.989   1.1907   42.003   1.3272 -0.1337814E-01 1.783001 
1 1 1   26   11   11 o   26.161   1.1687   92.496   8.2121   92.134   12.140   92.802   11.151   25.950   1.7519   26.084   1.5993 -0.1340199 2.372141 
1 1 1   26   11   12 o   5.3866   2.3563  -1.1924   6.4812   2.7819   8.5871  -6.4534   9.8798   7.0003   2.8668   5.9419   2.7258 1.058401 3.955835 
1 1 1   26   11   13 o   6.1557   2.5134   2.1472   6.5754   2.3945   8.5553   1.7903   10.278   6.9047   2.8485   7.3387   3.0819 -0.4340215 4.196711 
1 1 1   26   11   14 o   35.480   0.9568  169.835   9.1182  154.788   11.961  190.709   14.088   33.802   1.3175   37.499   1.3988 -3.696892 1.921565 
1 1 1   26   11   15 o   21.263   1.3076   61.486   7.4314   62.452   9.8840   60.229   11.272   21.329   1.7405   20.860   2.0378 0.4695091 2.679940 
1 1 1   26   11   16 o   29.511   1.1075  117.729   8.7784  122.043   12.643  113.713   12.198   29.905   1.5797   28.864   1.5794 1.041304 2.233795 
1 1 1   26   11   17 o   22.967   1.3280   71.765   8.1573   64.539   10.586   82.327   12.798   21.646   1.8382   24.424   1.9677 -2.777891 2.692731 
1 1 1   26   11   18 o   21.045   1.3365   60.319   7.5151   63.628   10.162   56.325   11.165   21.504   1.7753   20.127   2.0959 1.376707 2.746740 
1 1 1   26   11   19 o   17.622   1.5930   42.652   7.4581   38.696   9.6871   48.410   11.687   16.599   2.2291   18.536   2.4040 -1.936403 3.278466 
1 1 1   26   11   20 o   7.3159   2.7101   6.0718   7.0714   5.0348   9.2659   7.5182   10.943   7.6456   3.0312   8.5891   3.3268 -0.9434314 4.500662 
1 1 1   26   11   21 o   29.950   1.1168  121.385   8.9838  125.029   11.703  116.157   14.019   30.321   1.4370   29.068   1.8045 1.252705 2.306751 
1 1 1   26   11   22 o   21.475   1.3798   62.917   7.9167   63.829   10.526   61.730   12.013   21.501   1.8403   21.037   2.1566 0.4650040 2.835074 
1 1 1   26   11   23 o   39.059   0.9608  206.071   10.079  198.291   13.466  215.984   15.199   38.219   1.3118   39.851   1.4200 -1.631893 1.933218 
1 1 1   26   11   24 o   13.806   2.1141   26.874   7.5898   31.989   10.115   20.285   11.481   14.919   2.6199   11.711   3.4299 3.207661 4.316060 
1 1 1   26   11   25 o   24.081   1.2676   78.887   8.1695   84.921   11.336   72.367   11.784   24.860   1.7081   22.865   1.9370 1.995350 2.582540 
1 1 1   26   11   26 o   27.040   1.2228   99.139   8.8806  109.328   13.143   90.579   12.047   28.206   1.7434   25.659   1.7585 2.547003 2.476252 
1 1 1   26   11   27 o   16.085   2.0014   36.159   8.4593   34.470   11.053   38.548   13.143   15.435   2.7678   16.195   3.1348 -0.7598305 4.181812 
1 1 1   26   11   28 o   28.222   1.1649  107.950   8.8299  113.237   12.295  102.318   12.689   28.747   1.5987   27.270   1.7415 1.476316 2.364013 
1 1 1   26   11   29 o   29.927   1.1287  121.371   9.0726  124.775   12.508  117.592   13.179   30.187   1.5479   29.251   1.6846 0.9360714 2.287754 
1 1 1   26   11   30 o   14.697   2.0813   30.485   7.9866   21.720   10.721   41.414   11.972   12.035   3.2433   16.914   2.7279 -4.879300 4.238021 
1 1 1   26   11   31 o   6.9336   2.7757   3.9488   7.8428   4.7297   9.9950   2.6978   12.651   7.7000   3.1155   8.0248   3.3973 -0.3248115 4.609507 
1 1 1   26   11   32 o   10.395   2.8116   16.054   8.0391   17.015   10.200   14.479   13.061   10.670   3.2592   10.255   3.7015 0.4152327 4.931924 
1 1 1   26   11   33 o   28.963   1.2118  114.277   9.4272  109.437   12.014  122.032   15.208   28.156   1.5952   29.557   1.9262 -1.400373 2.500962 
1 1 1   26   11   34 o   23.628   1.5417   77.202   9.7301   70.751   13.082   85.190   14.557   22.276   2.2158   24.443   2.2423 -2.167643 3.152437 
1 1 1   26   11   35 o   6.8731   2.9246   1.8468   9.4568   6.7479   13.642  -2.6876   13.121   8.6940   3.5927   7.2231   3.2448 1.470956 4.841079 
1 1 1   26   11   36 o   11.156   3.2842   19.680   10.502  -4.8551   17.390   33.766   13.177   7.9392   3.6326   14.526   3.4318 -6.587122 4.997275 
1 1 1   26   11   37 o   7.8835   3.5378  -0.9955   15.556 -16.4070   19.291   27.660   26.305   7.3194   3.4964   12.537   5.0606 -5.217162 6.150943 
1 1 1   26   11   38 f   19.772   2.7282   59.462   14.102   51.751   21.118   65.668   18.945   16.650   4.5792   19.902   3.6796 -3.252119 5.874451 
1 1 1   26   11   39 o   5.3337   2.6476 -28.5678   14.534 -20.7600   30.907 -30.7845   16.468   8.7546   4.2429   5.7039   2.8292 3.050701 5.099638 
1 1 1   26   12  -32 o   15.938   4.3375   42.679   19.064   42.679   19.064   0.0000   0.0000   15.938   4.3375  ?   ?  0.000000 4.337487 
1 1 1   26   12  -31 o   6.4750   2.9356  -4.3327   11.030  -5.1944   15.064  -3.3370   16.194   7.5226   3.4183   8.0057   3.5998 -0.4830914 4.964181 
1 1 1   26   12  -30 o   15.533   2.5398   35.025   10.230   46.581   17.169   28.664   12.737   17.258   3.8063   13.630   3.4703 3.628202 5.150757 
1 1 1   26   12  -29 f   10.961   3.2074   17.983   10.043   17.559   17.504   18.192   12.263   11.354   4.2524   11.068   3.5998 0.2856140 5.571438 
1 1 1   26   12  -28 o   33.946   1.2104  156.539   11.036  145.350   15.796  167.209   15.425   32.431   1.8208   34.916   1.6448 -2.485062 2.453718 
1 1 1   26   12  -27 o   16.822   2.0908   39.778   9.2431   57.025   13.402   24.133   12.764   19.988   2.5548   12.613   3.5938 7.375487 4.409350 
1 1 1   26   12  -26 o   23.533   1.5285   75.913   9.6086   82.344   13.831   69.914   13.359   24.282   2.1426   22.312   2.2603 1.970356 3.114438 
1 1 1   26   12  -25 o   31.079   1.4343  131.557   11.973  125.924   19.394  135.026   15.219   29.928   2.4338   31.304   1.8179 -1.375811 3.037775 
1 1 1   26   12  -24 o   15.426   2.3312   33.780   9.3575   37.066   14.427   31.394   12.294   15.706   3.5085   14.534   3.2329 1.172584 4.770887 
1 1 1   26   12  -23 o   6.1276   2.7135  -2.1622   8.8429   19.501   12.646 -22.8870   12.370   11.524   3.6465   5.2613   2.5790 6.262816 4.466334 
1 1 1   26   12  -22 o   29.064   1.3618  114.846   10.631  123.042   15.328  107.247   14.758   29.846   1.9222   27.830   1.9874 2.016052 2.764884 
1 1 1   26   12  -21 o   23.511   1.7649   76.162   11.064   78.835   13.823   71.397   18.455   23.763   2.1904   22.140   3.1960 1.622719 3.874596 
1 1 1   26   12  -20 o   7.5159   3.0725   3.7282   9.8411   8.5785   12.017  -6.1462   17.147   9.0075   3.4870   8.1292   3.6751 0.8783016 5.066144 
1 1 1   26   12  -19 f   13.984   2.6407   28.235   9.5552   16.581   12.570   44.185   14.706   10.838   3.6488   17.309   3.2834 -6.470307 4.908592 
1 1 1   26   12  -18 o   37.826   1.1286  193.721   11.466  191.422   16.448  195.893   15.993   37.435   1.6359   37.894   1.5713 -0.4593811 2.268269 
1 1 1   26   12  -17 o   34.352   0.9202  159.324   8.4900  166.782   10.455  144.885   14.548   35.105   1.1088   32.520   1.6712 2.584518 2.005563 
1 1 1   26   12  -16 o   11.447   2.2342   18.712   6.6226   13.927   8.1334   28.125   11.408   9.8274   2.8894   13.807   3.1464 -3.979418 4.271792 
1 1 1   26   12  -15 o   15.636   1.3416   33.426   5.5798   26.232   7.2210   44.088   8.7904   13.670   2.0282   17.842   1.8617 -4.171930 2.753111 
1 1 1   26   12  -14 o   14.922   1.5358   30.625   6.0673   29.389   7.5286   32.915   10.248   14.500   1.9852   15.163   2.6105 -0.6624985 3.279641 
1 1 1   26   12  -13 o   27.851   1.0432  104.829   7.8036  107.778   11.599  102.391   10.547   28.096   1.5430   27.412   1.4376 0.6832600 2.108911 
1 1 1   26   12  -12 o   21.660   1.2341   63.748   7.1499   57.618   10.375   69.293   9.8672   20.419   1.9141   22.486   1.6452 -2.067400 2.523938 
1 1 1   26   12  -11 o   39.750   0.8233  212.987   8.7902  211.550   12.215  214.532   12.660   39.545   1.1500   39.814   1.1838 -0.2691269 1.650440 
1 1 1   26   12  -10 o   22.810   1.0726   70.309   6.5714   69.100   8.9909   71.696   9.6285   22.500   1.4963   22.901   1.5749 -0.4008560 2.172385 
1 1 1   26   12   -9 o   15.727   1.4769   33.885   6.1657   32.474   8.4283   35.510   9.0433   15.236   2.1167   15.929   2.1702 -0.6924582 3.031587 
1 1 1   26   12   -8 f   6.1231   2.5028   2.1065   6.5287   7.6305   9.5100  -2.8177   8.9788   8.3274   3.1313   6.1085   2.7182 2.218840 4.146584 
1 1 1   26   12   -7 o   6.8314   2.6422   4.3948   6.8948   3.7427   8.1265   6.0705   13.026   7.0547   2.8250   8.8366   3.5632 -1.781917 4.547241 
1 1 1   26   12   -6 o   26.973   0.9939   98.190   7.2004  112.859   10.176   83.483   10.189   28.864   1.3126   24.739   1.5411 4.125391 2.024385 
1 1 1   26   12   -5 o   25.327   1.0316   86.604   7.0179   88.814   9.9119   84.381   9.9378   25.543   1.4507   24.885   1.4937 0.6576633 2.082279 
1 1 1   26   12   -4 o   28.479   1.0083  109.468   7.7131  114.012   11.696  105.971   10.260   28.936   1.5101   27.962   1.3661 0.9742889 2.036372 
1 1 1   26   12   -3 f   10.924   2.1707   16.939   6.1447   18.376   8.8128   15.579   8.5719   11.258   2.8974   10.403   2.9383 0.8549385 4.126607 
1 1 1   26   12   -2 o   29.173   0.9858  114.840   7.7244  116.041   10.834  113.597   11.016   29.260   1.3786   28.943   1.4171 0.3173542 1.977022 
1 1 1   26   12   -1 o   26.791   1.0187   96.879   7.3302  102.754   10.487   91.267   10.250   27.490   1.4252   25.891   1.4802 1.599264 2.054756 
1 1 1   26   12    0 o   23.919   1.1093   77.290   7.1264   81.751   9.9831   72.656   10.176   24.489   1.5253   23.050   1.6547 1.438814 2.250499 
1 1 1   26   12    1 o   6.6166   2.5068   4.4673   6.1219   2.4341   8.4837   6.6762   8.8428   6.8911   2.8390   7.9535   3.0130 -1.062456 4.139779 
1 1 1   26   12    2 o   45.645   0.8166  280.711   10.012  281.962   14.154  279.458   14.164   45.673   1.1538   45.468   1.1598 0.2047844 1.635972 
1 1 1   26   12    3 f   33.135   0.9725  148.131   8.6553  143.091   12.980  152.167   11.614   32.466   1.4886   33.525   1.2898 -1.058735 1.969629 
1 1 1   26   12    4 o   20.436   1.6216   57.154   8.8275   61.879   11.725   50.972   13.412   21.142   2.0923   18.972   2.7090 2.169878 3.422911 
1 1 1   26   12    5 o   23.825   1.2186   76.991   7.7717   73.269   11.302   80.329   10.704   23.095   1.8371   24.238   1.6541 -1.143425 2.472057 
1 1 1   26   12    6 o   11.916   2.1343   20.056   6.5798   20.311   9.0870   19.774   9.5401   11.826   2.8862   11.654   3.0224 0.1723824 4.179060 
1 1 1   26   12    7 o   18.488   1.7832   47.057   8.7449   51.138   13.129   43.802   11.724   19.016   2.6418   17.605   2.5540 1.411095 3.674495 
1 1 1   26   12    8 f   28.590   1.1592  110.537   8.9016  113.034   13.952  108.823   11.560   28.712   1.8186   28.256   1.5289 0.4563370 2.375879 
1 1 1   26   12    9 o   30.177   1.2283  123.274   9.9556  119.282   12.805  129.375   15.829   29.556   1.6192   30.680   1.9308 -1.124048 2.519864 
1 1 1   26   12   10 o   8.1736   2.7619   8.8294   7.2024   6.1784   10.137   11.532   10.235   8.1422   3.1884   9.4066   3.2884 -1.264400 4.580329 
1 1 1   26   12   11 o   9.5413   2.5216   13.105   6.5598   8.0047   8.8338   19.374   9.7942   8.2570   3.0343   11.509   3.0992 -3.252418 4.337327 
1 1 1   26   12   12 o   23.139   1.2040   72.683   7.4567   74.143   10.058   70.901   11.111   23.271   1.6193   22.691   1.8389 0.5797024 2.450226 
1 1 1   26   12   13 o   23.806   1.1856   76.731   7.5808   73.315   10.091   81.156   11.486   23.132   1.6347   24.302   1.7718 -1.170034 2.410748 
1 1 1   26   12   14 o   24.144   1.1987   78.952   7.7732   84.394   10.253   71.599   11.920   24.848   1.5440   22.751   1.9701 2.096825 2.503033 
1 1 1   26   12   15 o   6.6204   2.6661   3.1449   7.2826   13.231   9.9461  -8.5126   10.693   9.7742   3.2450   5.9584   2.7694 3.815852 4.266131 
1 1 1   26   12   16 o   38.591   1.0078  201.257   10.447  212.569   13.195  182.261   17.100   39.597   1.2407   36.499   1.7443 3.098679 2.140523 
1 1 1   26   12   17 o   29.090   1.0731  114.466   8.3846  113.527   11.382  115.581   12.398   28.842   1.4742   29.063   1.5943 -0.2213688 2.171446 
1 1 1   26   12   18 o   8.8530   2.6851   11.139   6.9409   17.833   9.3455   2.9042   10.365   11.021   3.0525   7.5141   3.1205 3.506388 4.365243 
1 1 1   26   12   19 f   11.695   2.4468   19.727   7.4387   6.2142   9.9842   36.588   11.152   8.0680   3.1630   15.943   2.7007 -7.875382 4.159111 
1 1 1   26   12   20 o   17.615   1.7626   42.915   8.2273   36.102   10.969   51.677   12.439   15.841   2.6732   19.094   2.4844 -3.252335 3.649432 
1 1 1   26   12   21 o   12.565   2.4155   22.684   7.8557   24.747   10.706   20.277   11.563   12.923   3.1198   11.693   3.4471 1.229751 4.649256 
1 1 1   26   12   22 o   20.744   1.6000   59.103   8.8460   62.939   12.624   55.402   12.399   21.186   2.2531   19.817   2.3769 1.369894 3.275074 
1 1 1   26   12   23 o   6.7898   2.7347   3.4049   7.6635  -6.4314   10.285   15.683   11.491   6.0470   2.7766   10.516   3.4878 -4.469074 4.458044 
1 1 1   26   12   24 o   25.919   1.2394   91.157   8.6286   92.929   11.983   89.249   12.435   25.991   1.7263   25.431   1.8328 0.5604477 2.517822 
1 1 1   26   12   25 o   21.646   1.5085   64.209   8.7157   57.787   13.032   69.407   11.723   20.199   2.4524   22.355   1.9727 -2.156166 3.147315 
1 1 1   26   12   26 o   34.201   1.0790  158.389   9.9115  149.840   12.890  170.757   15.503   33.156   1.4474   35.323   1.6341 -2.167244 2.182924 
1 1 1   26   12   27 o   26.858   1.2769   98.052   9.2111   89.033   11.880  111.646   14.585   25.403   1.7519   28.384   1.9245 -2.981096 2.602472 
1 1 1   26   12   28 o   25.190   1.3526   86.683   9.1181   79.012   12.125   96.666   13.832   23.846   1.9092   26.364   1.9676 -2.517384 2.741621 
1 1 1   26   12   29 f   16.761   1.7755   39.122   7.8713   33.158   10.342   47.335   12.136   15.089   2.6483   18.131   2.5635 -3.041686 3.685786 
1 1 1   26   12   30 o   24.803   1.3541   84.236   8.9870   90.541   11.510   74.389   14.384   25.585   1.6843   22.849   2.3787 2.735922 2.914651 
1 1 1   26   12   31 o   25.611   1.2964   89.790   8.8886   90.073   12.041   89.452   13.177   25.445   1.7730   25.261   1.9573 0.1832142 2.640901 
1 1 1   26   12   32 o   8.9145   2.8536   11.622   7.7275   11.859   10.346   11.323   11.621   9.2283   3.2986   9.2686   3.4662 -0.4033089E-01 4.784851 
1 1 1   26   12   33 o   47.914   1.1706  313.436   15.065  315.758   21.430  311.167   21.182   47.685   1.6732   47.344   1.6657 0.3409996 2.360988 
1 1 1   26   12   34 o   6.7414   2.9890  -1.0595   10.762   8.6384   17.610  -6.8399   13.596   9.5399   4.0217   6.8245   3.1548 2.715405 5.111415 
1 1 1   26   12   35 o   13.966   3.0972   30.730   11.314   23.536   16.721   36.804   15.364   11.786   4.1954   14.762   3.8390 -2.976075 5.686821 
1 1 1   26   12   36 o   21.304   2.5296   67.862   14.192   69.026   21.226   66.921   19.085   19.963   4.0959   20.103   3.6697 -0.1401558 5.499426 
1 1 1   26   12   37 o   16.757   4.1688   50.713   18.686   0.0000   0.0000   50.713   18.686  ?   ?    16.757   4.1688 0.000000 4.168810 
1 1 1   26   12   38 o   22.854   3.1951   84.686   19.077   0.0000   0.0000   84.686   19.077  ?   ?    22.854   3.1951 0.000000 3.195098 
1 1 1   26   13  -31 f   7.4570   3.4658  -8.7844   16.745  -8.7844   16.745   0.0000   0.0000   7.4570   3.4658  ?   ?  0.000000 3.465827 
1 1 1   26   13  -30 o   13.149   4.2994   28.774   17.484   28.774   17.484   0.0000   0.0000   13.149   4.2994  ?   ?  0.000000 4.299355 
1 1 1   26   13  -29 o   29.102   1.8494  118.232   14.381  103.520   20.503  132.481   20.177   26.479   2.9320   30.350   2.4973 -3.870199 3.851383 
1 1 1   26   13  -28 f   13.979   2.7997   29.022   10.145   35.390   17.687   25.900   12.385   14.740   4.2400   12.919   3.4878 1.820938 5.490275 
1 1 1   26   13  -27 o   21.674   1.8869   65.527   10.875   59.576   18.541   68.648   13.427   19.718   3.6349   21.991   2.3077 -2.272964 4.305562 
1 1 1   26   13  -26 o   26.423   1.5627   95.984   11.041   95.516   17.724   96.281   14.114   25.849   2.5876   26.264   2.0162 -0.4149380 3.280327 
1 1 1   26   13  -25 f   20.614   1.7191   58.777   9.4316   63.528   13.404   54.119   13.273   21.155   2.4016   19.412   2.6120 1.743093 3.548268 
1 1 1   26   13  -24 o   28.438   1.4004  110.222   10.697  115.902   15.470  105.019   14.807   28.877   2.0071   27.475   2.0206 1.401541 2.848020 
1 1 1   26   13  -23 o   20.926   1.8756   60.765   10.430   38.076   16.374   76.258   13.530   15.701   3.9001   23.334   2.1843 -7.632775 4.470121 
1 1 1   26   13  -22 o   38.121   1.1545  197.021   11.821  193.951   17.001  199.894   16.447   37.624   1.6823   38.232   1.6017 -0.6075439 2.322851 
1 1 1   26   13  -21 o   46.204   1.0681  289.001   13.255  287.728   19.161  290.169   18.356   45.899   1.5543   46.128   1.4816 -0.2294846 2.147273 
1 1 1   26   13  -20 o   8.6389   3.1892   9.0173   9.7757   20.680   13.001  -6.1527   14.828   11.800   3.6922   7.4928   3.3996 4.307614 5.018971 
1 1 1   26   13  -19 o   14.257   2.5177   29.231   9.2887   20.534   13.324   37.453   12.956   11.778   3.7447   15.930   3.1397 -4.151814 4.886715 
1 1 1   26   13  -18 o   8.1236   2.3025   9.4399   5.2540   13.100   5.9614  -3.2966   11.120   9.5143   2.3473   6.7375   3.0096 2.776837 3.816719 
1 1 1   26   13  -17 o   40.621   1.0949  223.423   11.946  218.297   13.715  239.540   24.320   40.095   1.2735   41.503   2.1895 -1.408527 2.532907 
1 1 1   26   13  -16 o   54.750   0.9674  405.128   14.225  410.330   16.103  386.648   30.352   55.054   1.0890   52.839   2.1386 2.214493 2.399945 
1 1 1   26   13  -15 o   19.045   1.2075   49.379   6.1445   49.165   8.1331   49.664   9.3787   18.902   1.6176   18.923   1.8697 -0.2122688E-01 2.472314 
1 1 1   26   13  -14 o   34.232   0.8731  158.176   8.0277  164.095   10.816  150.918   11.978   34.800   1.1572   33.324   1.3382 1.476143 1.769176 
1 1 1   26   13  -13 o   21.903   1.1424   65.155   6.6975   54.534   8.8859   79.126   10.191   19.901   1.6781   24.025   1.5883 -4.123781 2.310520 
1 1 1   26   13  -12 f   5.1537   2.2620  -1.1964   6.0172  -1.4221   7.8365  -0.8720   9.3925   5.8749   2.5799   6.5389   2.8491 -0.6639562 3.843624 
1 1 1   26   13  -11 o   43.750   0.8898  258.350   10.455  265.715   15.889  252.726   13.885   44.229   1.3375   43.183   1.1971 1.045906 1.795004 
1 1 1   26   13  -10 f   19.174   1.2991   50.120   6.6509   55.215   9.3084   44.806   9.5062   20.013   1.7493   17.936   2.0077 2.076429 2.662889 
1 1 1   26   13   -9 o   30.088   0.9599  122.268   7.7569  119.682   11.124  124.717   10.823   29.674   1.3957   30.308   1.3295 -0.6345806 1.927529 
1 1 1   26   13   -8 o   7.7069   2.6953   7.5702   6.8765   11.136   9.4142   3.4918   10.068   9.1485   3.1562   7.5497   3.0995 1.598787 4.423627 
1 1 1   26   13   -7 o   25.941   1.1049   91.041   7.6987  100.890   11.415   82.824   10.427   27.163   1.5713   24.598   1.5866 2.564936 2.233058 
1 1 1   26   13   -6 o   16.712   1.6638   38.483   7.3689   41.925   10.094   34.555   10.782   17.285   2.2260   15.515   2.6845 1.769707 3.487320 
1 1 1   26   13   -5 o   8.7896   2.6426   10.951   6.7445   19.667   10.246   4.2878   8.9591   11.568   3.1931   7.4008   2.9653 4.166848 4.357639 
1 1 1   26   13   -4 o   36.827   0.8692  182.946   8.5981  191.992   12.282  174.253   12.040   37.648   1.2146   35.857   1.2502 1.790516 1.743062 
1 1 1   26   13   -3 f   5.3432   2.3167  -0.6075   6.1487 -10.9031   8.7742   9.3267   8.6189   4.9708   2.3699   8.5494   3.0155 -3.578573 3.835296 
1 1 1   26   13   -2 o   27.350   1.0263  101.068   7.5389  101.724   10.824  100.449   10.506   27.310   1.4811   27.148   1.4461 0.1625385 2.069990 
1 1 1   26   13   -1 o   9.7365   2.4069   13.659   6.2586   17.670   8.9958   9.8970   8.7129   11.004   2.9733   8.7224   3.0348 2.281155 4.248580 
1 1 1   26   13    0 o   12.759   1.9432   22.809   6.4488   20.453   8.9562   25.347   9.2933   11.842   2.8503   13.244   2.7041 -1.401861 3.928853 
1 1 1   26   13    1 o   16.452   1.5533   37.170   6.7829   30.565   9.6244   43.689   9.5608   14.627   2.5419   17.715   2.0471 -3.087128 3.263759 
1 1 1   26   13    2 o   3.9476   1.9197 -11.0640   6.4704 -13.7352   9.6386  -8.8729   8.7297   5.0317   2.4213   5.1780   2.4374 -0.1463590 3.435645 
1 1 1   26   13    3 f   35.379   0.9584  168.993   9.1068  170.456   12.029  167.029   13.938   35.462   1.2630   35.044   1.4808 0.4186897 1.946239 
1 1 1   26   13    4 o   15.172   1.7274   31.837   6.9137   27.499   9.5658   36.583   10.004   13.812   2.6752   16.081   2.3887 -2.269105 3.586431 
1 1 1   26   13    5 o   11.376   2.7311   18.829   8.2392   22.845   12.885   16.051   10.716   12.408   3.6335   10.595   3.3572 1.813583 4.947011 
1 1 1   26   13    6 o   37.239   0.9855  187.316   9.8575  186.963   14.057  187.657   13.827   37.092   1.4110   37.168   1.3850 -0.7672882E-01 1.977185 
1 1 1   26   13    7 o   11.155   2.3887   17.899   6.9412   23.775   9.6263   11.536   10.018   12.757   2.8779   9.3438   3.2540 3.413364 4.344069 
1 1 1   26   13    8 o   12.654   2.2996   22.822   7.5278   30.092   9.8215   12.470   11.720   14.469   2.6239   9.8125   3.5104 4.656343 4.382654 
1 1 1   26   13    9 o   28.990   1.1370  113.769   8.8528  114.997   13.081  112.731   12.025   28.960   1.6890   28.714   1.5651 0.2458687 2.302670 
1 1 1   26   13   10 f   17.934   1.7930   44.480   8.5211   39.635   13.762   47.492   10.852   16.404   3.2383   18.393   2.2430 -1.988850 3.939283 
1 1 1   26   13   11 o   8.7557   2.8494   10.607   7.6828  -2.4992   11.682   20.596   10.199   7.0454   3.1195   11.804   3.1559 -4.758358 4.437429 
1 1 1   26   13   12 f   38.548   0.9797  200.803   10.144  202.409   13.215  198.499   15.826   38.620   1.2740   38.152   1.5444 0.4680786 2.002073 
1 1 1   26   13   13 o   10.535   2.6145   16.161   7.3631   18.956   9.8712   12.654   11.055   11.334   3.1364   9.7366   3.4167 1.597128 4.637986 
1 1 1   26   13   14 o   15.624   2.1599   34.375   8.8216   39.884   11.850   27.527   13.212   16.632   2.7487   13.505   3.5831 3.127430 4.516004 
1 1 1   26   13   15 o   25.000   1.2911   85.094   8.6396   78.778   11.579   93.026   12.976   23.890   1.8182   25.951   1.8743 -2.060238 2.611290 
1 1 1   26   13   16 o   28.229   1.2121  108.090   9.1900  111.094   13.016  105.104   12.977   28.430   1.7125   27.633   1.7576 0.7967720 2.453954 
1 1 1   26   13   17 o   30.200   1.0923  123.485   8.8601  131.268   12.368  115.281   12.699   31.030   1.4840   28.989   1.6376 2.041365 2.209957 
1 1 1   26   13   18 o   20.379   1.4947   56.928   8.1244   53.674   11.287   60.425   11.703   19.561   2.1857   20.791   2.1257 -1.229443 3.048910 
1 1 1   26   13   19 o   19.670   1.5203   53.093   7.9696   52.277   10.513   54.195   12.220   19.349   2.0544   19.583   2.3715 -0.2348003 3.137630 
1 1 1   26   13   20 o   5.1931   2.3739  -4.4423   7.4034   0.3818   9.6256 -11.4294   11.584   6.8163   2.9267   5.9342   2.7977 0.8820353 4.048786 
1 1 1   26   13   21 o   11.567   2.5946   19.496   7.8625   19.161   10.254   19.972   12.249   11.365   3.2151   11.601   3.5763 -0.2369003 4.808995 
1 1 1   26   13   22 o   38.234   1.0137  197.760   10.410  196.903   13.731  198.919   15.966   38.046   1.3437   38.157   1.5578 -0.1107063 2.057246 
1 1 1   26   13   23 o   6.7845   2.7414   3.3649   7.7276   3.4747   9.9088   3.1944   12.346   7.4579   3.0698   8.0636   3.3816 -0.6056628 4.567173 
1 1 1   26   13   24 o   7.4241   3.0100   4.1342   9.3501   5.9392   11.722   0.9772   15.503   8.3808   3.3799   8.5047   3.6830 -0.1238890 4.998838 
1 1 1   26   13   25 f   35.611   1.0879  171.900   10.406  188.074   13.523  148.424   16.292   37.153   1.3551   32.751   1.8598 4.402802 2.301131 
1 1 1   26   13   26 o   21.059   1.5558   61.072   8.7379   58.898   11.159   64.519   14.050   20.492   2.0550   21.243   2.5109 -0.7508221 3.244652 
1 1 1   26   13   27 o   34.782   1.0560  164.080   9.8657  171.921   13.876  156.066   14.030   35.446   1.4575   33.732   1.5485 1.714302 2.126544 
1 1 1   26   13   28 f   22.654   1.3618   70.385   8.2475   70.272   11.161   70.520   12.241   22.432   1.8694   22.381   2.0595 0.5079842E-01 2.781383 
1 1 1   26   13   29 o   24.262   1.2839   80.629   8.3366   78.763   11.222   82.927   12.453   23.771   1.7704   24.316   1.9224 -0.5451050 2.613388 
1 1 1   26   13   30 o   15.085   2.0141   32.455   7.9566   28.150   10.757   37.656   11.823   13.561   3.0296   15.820   2.8890 -2.259453 4.186278 
1 1 1   26   13   31 f   15.653   2.1191   35.270   8.6804   45.556   12.340   25.194   12.213   17.477   2.7170   12.537   3.4956 4.939572 4.427315 
1 1 1   26   13   32 o   23.640   1.8750   79.090   11.807   90.587   19.411   72.337   14.876   24.362   3.0320   22.135   2.5488 2.227335 3.960969 
1 1 1   26   13   33 o   15.683   2.7577   37.515   11.192   49.744   17.228   28.584   14.722   17.228   3.8230   12.919   3.9089 4.309115 5.467610 
1 1 1   26   13   34 o   7.3453   3.3425  -2.8919   14.468   0.0000   0.0000  -2.8919   14.468  ?   ?    7.3453   3.3425 0.000000 3.342470 
1 1 1   26   13   35 o   13.249   4.3855   33.373   18.171   0.0000   0.0000   33.373   18.171  ?   ?    13.249   4.3855 0.000000 4.385544 
1 1 1   26   13   36 o   6.8682   3.2775 -12.4577   16.862   0.0000   0.0000 -12.4577   16.862  ?   ?    6.8682   3.2775 0.000000 3.277517 
1 1 1   26   14  -30 o   16.267   4.9183   50.310   23.314   50.310   23.314   0.0000   0.0000   16.267   4.9183  ?   ?  0.000000 4.918338 
1 1 1   26   14  -29 o   6.9940   3.3098 -13.0842   16.492 -13.0842   16.492   0.0000   0.0000   6.9940   3.3098  ?   ?  0.000000 3.309798 
1 1 1   26   14  -28 o   22.669   3.2891   79.032   19.442   79.032   19.442   0.0000   0.0000   22.669   3.2891  ?   ?  0.000000 3.289099 
1 1 1   26   14  -27 f   18.829   2.1668   50.655   10.758   38.900   17.502   57.793   13.638   15.310   4.1516   19.864   2.6202 -4.553748 4.909273 
1 1 1   26   14  -26 o   8.3663   3.1906   8.2971   9.9584   3.9856   17.523   10.354   12.103   9.1443   3.9379   9.1763   3.5132 -0.3202534E-01 5.277256 
1 1 1   26   14  -25 o   31.974   1.4409  140.029   12.374  146.376   21.362  136.824   15.181   31.985   2.5066   31.384   1.8086 0.6011620 3.091001 
1 1 1   26   14  -24 o   11.104   3.1023   18.568   9.6096   0.1316   15.998   28.975   12.020   8.4267   3.6937   13.786   3.2916 -5.358938 4.947555 
1 1 1   26   14  -23 o   7.3581   3.0088   3.8419   9.4408  -0.5865   14.931   6.7915   12.186   8.1088   3.5610   8.5950   3.4532 -0.4862070 4.960380 
1 1 1   26   14  -22 o   26.533   1.6573   97.014   11.752   94.298   22.098   98.085   13.876   25.213   3.3458   26.546   1.9600 -1.333412 3.877602 
1 1 1   26   14  -21 o   45.459   1.0958  280.149   13.380  268.387   19.247  291.148   18.612   44.250   1.6195   46.154   1.5014 -1.903782 2.208345 
1 1 1   26   14  -20 o   21.841   1.6542   65.750   9.6319   60.637   14.485   69.802   12.896   20.543   2.6899   22.301   2.1808 -1.758194 3.462839 
1 1 1   26   14  -19 o   27.061   1.4325  100.123   10.375  101.346   15.145   99.042   14.242   26.951   2.1090   26.691   2.0011 0.2602081 2.907297 
1 1 1   26   14  -18 o   10.965   2.1827   17.249   6.2022   16.498   6.7932   21.010   15.203   10.657   2.4276   11.938   4.0128 -1.281075 4.689942 
1 1 1   26   14  -17 o   49.269   0.8723  327.816   11.543  323.652   14.305  335.587   19.541   48.879   1.0896   49.599   1.4669 -0.7195473 1.827285 
1 1 1   26   14  -16 o   15.453   1.4295   32.812   5.8660   34.896   7.8121   30.119   8.8819   15.816   1.8755   14.521   2.3582 1.295270 3.013125 
1 1 1   26   14  -15 o   9.2562   2.4389   12.434   6.1483   13.670   7.5881   10.071   10.491   9.6876   2.7745   9.0036   3.3070 0.6839581 4.316688 
1 1 1   26   14  -14 o   18.353   1.3527   46.075   6.6211   49.309   8.5775   41.306   10.415   18.890   1.7091   17.065   2.3333 1.824694 2.892308 
1 1 1   26   14  -13 o   32.797   1.0343  145.571   9.1115  153.851   10.928  126.691   16.502   33.670   1.2084   30.199   2.0466 3.471182 2.376691 
1 1 1   26   14  -12 o   20.627   1.3239   58.083   7.2956   66.511   8.8496   40.203   12.890   22.028   1.5048   16.562   3.0085 5.465736 3.363828 
1 1 1   26   14  -11 o   7.2400   2.7552   5.5674   7.4160   1.7005   9.4636   11.720   11.938   6.9969   2.9488   9.6207   3.5286 -2.623796 4.598557 
1 1 1   26   14  -10 o   8.4459   2.6178   10.082   6.5530   10.757   9.0808   9.3479   9.4660   8.9601   3.0993   8.6591   3.1472 0.3010569 4.417108 
1 1 1   26   14   -9 f   36.428   0.9171  179.262   8.9730  189.002   12.809  169.875   12.574   37.302   1.2785   35.349   1.3243 1.952370 1.840741 
1 1 1   26   14   -8 o   8.9518   2.4971   11.568   6.2309   22.394   8.4903  -1.0686   9.1728   12.406   2.6296   6.4181   2.8055 5.988349 3.845196 
1 1 1   26   14   -7 o   17.892   1.4105   43.840   6.7234   38.889   9.2978   49.266   9.7339   16.636   2.1297   18.813   1.9549 -2.177307 2.890884 
1 1 1   26   14   -6 o   26.938   1.1095   98.277   8.0279   98.279   12.094   98.275   10.734   26.740   1.6926   26.806   1.4968 -0.6634903E-01 2.259532 
1 1 1   26   14   -5 o   6.8589   2.6145   4.8761   6.6845  -2.3838   8.7233   15.203   10.404   6.0442   2.6850   10.299   3.3126 -4.254814 4.264076 
1 1 1   26   14   -4 o   23.855   1.2375   77.419   7.9019   70.519   10.169   87.938   12.555   22.639   1.6843   25.229   1.8660 -2.589512 2.513738 
1 1 1   26   14   -3 o   6.5004   2.5395   3.8548   6.4186   4.1471   8.8708   3.5336   9.2989   7.3186   2.9442   7.3143   2.9880 0.4350185E-02 4.194785 
1 1 1   26   14   -2 o   15.145   1.6930   31.761   6.7688   22.791   9.5766   40.715   9.5684   12.445   2.9159   17.031   2.1389 -4.585767 3.616315 
1 1 1   26   14   -1 o   21.485   1.2563   62.858   7.2184   68.217   10.153   57.380   10.265   22.258   1.7114   20.343   1.9007 1.915363 2.557608 
1 1 1   26   14    0 o   15.672   2.0328   34.412   8.3551   38.269   12.769   31.524   11.049   16.159   3.0539   14.689   2.9034 1.470399 4.213784 
1 1 1   26   14    1 o   16.923   1.6030   39.454   7.1991   37.025   10.353   41.727   10.017   16.115   2.4708   17.218   2.2177 -1.102903 3.320116 
1 1 1   26   14    2 o   19.075   1.6464   50.104   8.3524   53.171   11.925   47.151   11.702   19.422   2.3327   18.230   2.4522 1.192509 3.384480 
1 1 1   26   14    3 o   10.537   2.5049   16.128   6.9853   16.682   9.5299   15.483   10.269   10.670   3.1248   10.368   3.2864 0.3020954 4.534900 
1 1 1   26   14    4 o   9.3658   2.5904   12.704   6.7354   14.187   9.3122   11.076   9.7537   9.9448   3.1270   9.1536   3.2095 0.7912064 4.480927 
1 1 1   26   14    5 o   14.417   1.9815   29.149   7.4703   29.529   10.952   28.818   10.216   14.175   2.9715   14.059   2.8036 0.1158142 4.085335 
1 1 1   26   14    6 o   12.771   2.2808   23.295   7.5365   21.154   10.728   25.381   10.590   11.919   3.2579   13.091   3.0657 -1.171796 4.473551 
1 1 1   26   14    7 o   23.861   1.3277   77.622   8.4752   77.336   12.276   77.882   11.715   23.614   1.9531   23.735   1.8523 -0.1215096 2.691745 
1 1 1   26   14    8 o   21.083   1.3615   60.704   7.6686   57.291   10.525   64.566   11.196   20.300   1.9544   21.561   1.9547 -1.260300 2.764166 
1 1 1   26   14    9 f   23.085   1.2843   72.613   7.9317   78.376   11.088   66.573   11.351   23.846   1.7433   21.895   1.9506 1.950710 2.616080 
1 1 1   26   14   10 o   15.058   1.9895   31.791   7.8493   25.250   11.383   37.721   10.838   12.989   3.2662   16.213   2.5749 -3.223924 4.159114 
1 1 1   26   14   11 o   5.3287   2.4047  -3.2953   7.3028  -2.8500   10.709  -3.6824   9.9845   6.6600   2.9657   6.2958   2.8292 0.3641229 4.098768 
1 1 1   26   14   12 o   12.095   2.6953   21.396   8.5320   16.317   13.737   24.586   10.886   10.840   3.8084   12.835   3.1753 -1.995432 4.958452 
1 1 1   26   14   13 o   26.369   1.3427   94.825   9.4783   91.245   12.712   99.306   14.223   25.688   1.8550   26.745   1.9943 -1.057079 2.723655 
1 1 1   26   14   14 o   25.321   1.2654   87.105   8.6061  107.112   11.940   65.474   12.416   27.941   1.5977   21.618   2.1675 6.323017 2.692667 
1 1 1   26   14   15 o   16.818   1.8604   39.379   8.2630   56.243   10.164   6.5171   14.189   20.118   1.9037   9.0433   3.6922 11.07457 4.154104 
1 1 1   26   14   16 o   28.997   1.2059  114.114   9.3919  109.073   12.456  120.755   14.298   28.174   1.6533   29.584   1.8080 -1.410511 2.449983 
1 1 1   26   14   17 o   11.281   2.6741   18.651   7.9790   13.439   10.053   27.525   13.117   9.7770   3.2632   13.456   3.5702 -3.679381 4.836830 
1 1 1   26   14   18 o   8.7639   2.8223   10.787   7.5502   19.364   9.5474  -3.5315   12.336   11.418   3.0538   7.0709   3.1634 4.347000 4.396870 
1 1 1   26   14   19 o   10.487   2.8088   16.186   8.0702   18.844   9.8337   10.703   14.124   11.255   3.1361   9.7486   3.7785 1.506523 4.910379 
1 1 1   26   14   20 o   19.219   1.7223   51.108   8.7967   61.509   10.749   30.017   15.307   21.025   1.9248   13.915   3.9253 7.109651 4.371803 
1 1 1   26   14   21 o   13.229   2.4751   25.323   8.4713   30.283   10.388   15.477   14.636   14.374   2.7915   10.709   3.9102 3.664630 4.804355 
1 1 1   26   14   22 o   12.373   2.6974   22.518   8.7115   14.839   12.027   30.993   12.635   10.272   3.5661   14.298   3.3488 -4.025978 4.892004 
1 1 1   26   14   23 o   31.707   1.1576  136.560   9.8584  145.958   13.015  123.907   15.101   32.662   1.4835   29.868   1.8921 2.794226 2.404368 
1 1 1   26   14   24 o   22.281   1.4064   68.108   8.3729   87.437   11.596   47.054   12.102   25.126   1.7288   18.042   2.5700 7.083382 3.097397 
1 1 1   26   14   25 o   11.302   2.5125   18.820   7.4294   18.696   10.047   18.970   11.035   11.099   3.1966   11.163   3.3857 -0.6350517E-01 4.656326 
1 1 1   26   14   26 o   14.492   2.1777   30.128   8.2142   16.614   10.924   47.708   12.460   10.503   3.3962   18.058   2.6475 -7.555524 4.306156 
1 1 1   26   14   27 f   26.725   1.2006   97.464   8.6178   82.906   11.535  115.855   12.965   24.362   1.7751   28.875   1.6789 -4.512663 2.443273 
1 1 1   26   14   28 o   11.692   2.5184   20.408   7.6753   27.297   10.342   11.962   11.451   13.347   2.9623   9.3237   3.4498 4.023202 4.547115 
1 1 1   26   14   29 o   11.783   2.7200   21.151   8.4337   19.418   11.788   22.968   12.071   11.043   3.5235   11.929   3.5235 -0.8857908 4.982920 
1 1 1   26   14   30 o   6.7539   3.0158  -1.5229   11.154 -12.4211   25.203   1.1316   12.439   8.6979   4.1086   7.4601   3.2638 1.237780 5.247212 
1 1 1   26   14   31 o   6.5272   2.9973  -4.8425   11.987 -22.8454   22.009   2.7487   14.292   7.4044   3.5865   8.0308   3.5064 -0.6264110 5.015801 
1 1 1   26   14   32 o   8.6802   3.5585   8.7645   13.248  -5.6450   30.255   12.183   14.736   9.5710   4.5151   9.4393   3.7956 0.1316652 5.898498 
1 1 1   26   14   33 o   9.0472   3.8812   8.5392   16.903   0.0000   0.0000   8.5392   16.903  ?   ?    9.0472   3.8812 0.000000 3.881226 
1 1 1   26   14   34 o   16.530   5.3126   62.570   26.763   0.0000   0.0000   62.570   26.763  ?   ?    16.530   5.3126 0.000000 5.312577 
1 1 1   26   14   35 o   6.8652   3.4165 -38.1500   24.823   0.0000   0.0000 -38.1500   24.823  ?   ?    6.8652   3.4165 0.000000 3.416544 
1 1 1   26   15  -28 o   6.6866   3.1769 -12.8202   15.492 -12.8202   15.492   0.0000   0.0000   6.6866   3.1769  ?   ?  0.000000 3.176913 
1 1 1   26   15  -27 o   12.261   4.3163   25.870   17.651   25.870   17.651   0.0000   0.0000   12.261   4.3163  ?   ?  0.000000 4.316281 
1 1 1   26   15  -26 o   15.372   3.5087   37.947   14.167   44.271   17.686   26.620   23.668   16.190   4.0712   12.559   4.8847 3.630765 6.358904 
1 1 1   26   15  -25 o   23.661   2.2929   80.606   14.389   84.773   19.398   75.507   21.455   23.614   3.1360   21.684   3.8235 1.929747 4.945055 
1 1 1   26   15  -24 o   15.427   2.6368   35.205   10.533   22.815   18.433   41.213   12.835   12.037   4.3892   16.506   3.0059 -4.469341 5.319845 
1 1 1   26   15  -23 o   12.660   2.9852   24.351   9.9854   10.921   16.924   31.524   12.368   9.9955   4.0506   14.288   3.2906 -4.292524 5.218749 
1 1 1   26   15  -22 o   18.072   2.2702   46.693   10.776   43.210   18.201   48.573   13.371   16.309   4.1460   18.144   2.8366 -1.835260 5.023566 
1 1 1   26   15  -21 o   25.572   1.9110   91.274   13.030   83.680   32.293   92.751   14.241   21.666   5.5306   25.689   2.0819 -4.023203 5.909451 
1 1 1   26   15  -20 f   32.322   1.4618  142.986   12.691  160.468   24.485  136.565   14.840   33.359   2.7575   31.407   1.7663 1.951357 3.274679 
1 1 1   26   15  -19 o   28.132   1.0193  107.234   7.7015  103.167   9.3005  116.108   13.738   27.529   1.2578   28.963   1.7745 -1.433586 2.175091 
1 1 1   26   15  -18 o   16.141   1.5268   35.964   6.5404   42.046   7.8932   22.641   11.683   17.406   1.7105   12.199   3.4251 5.206882 3.828424 
1 1 1   26   15  -17 o   27.203   1.1863  100.517   8.6675   95.734   9.7836  117.965   18.686   26.461   1.3814   28.864   2.4330 -2.403351 2.797777 
1 1 1   26   15  -16 o   18.476   1.4417   46.871   7.0980   50.938   10.123   42.938   9.9551   19.078   2.0056   17.437   2.1727 1.640308 2.956869 
1 1 1   26   15  -15 o   16.827   1.4649   38.942   6.5548   39.896   8.4583   37.509   10.371   16.903   1.8958   16.174   2.4653 0.7286968 3.109964 
1 1 1   26   15  -14 o   26.767   1.0431   97.028   7.4991  104.413   10.192   88.313   11.073   27.683   1.3708   25.333   1.6361 2.349735 2.134469 
1 1 1   26   15  -13 o   27.896   1.0277  105.360   7.7003  103.247   10.112  108.276   11.881   27.530   1.3675   28.083   1.5815 -0.5536079 2.090759 
1 1 1   26   15  -12 o   13.995   2.0018   27.602   7.3104   32.847   10.337   22.354   10.340   15.050   2.6542   12.223   3.1346 2.826860 4.107371 
1 1 1   26   15  -11 o   29.303   0.9877  116.176   7.7736  117.555   10.309  114.358   11.835   29.395   1.3057   28.885   1.5310 0.5101852 2.012175 
1 1 1   26   15  -10 o   11.717   2.1064   19.584   6.3853   14.303   8.6028   26.061   9.5282   9.9024   2.9862   13.335   2.7516 -3.432652 4.060593 
1 1 1   26   15   -9 o   14.151   1.8775   28.053   6.9597   29.315   9.8967   26.818   9.7894   14.185   2.6962   13.520   2.7885 0.6651621 3.878762 
1 1 1   26   15   -8 o   12.169   2.2949   21.285   7.2258   20.064   10.598   22.346   9.8778   11.579   3.2660   12.252   3.0208 -0.6729279 4.448813 
1 1 1   26   15   -7 o   10.923   2.5593   17.438   7.3772   27.882   10.094   5.4641   10.808   13.781   2.8220   8.0722   3.2490 5.709013 4.303416 
1 1 1   26   15   -6 o   35.710   1.0245  172.614   9.8265  173.315   12.112  171.263   16.809   35.710   1.2628   35.249   1.7812 0.4605026 2.183389 
1 1 1   26   15   -5 o   24.734   1.2592   83.346   8.3378   90.575   10.504   71.035   13.708   25.702   1.5285   22.450   2.3061 3.251711 2.766693 
1 1 1   26   15   -4 o   17.772   1.7606   43.796   8.2933   44.625   9.7472   41.622   15.784   17.835   2.0735   16.528   3.6528 1.307180 4.200265 
1 1 1   26   15   -3 o   20.377   1.6752   57.294   9.0873   55.119   10.956   62.088   16.268   19.839   2.0874   20.633   3.0254 -0.7938633 3.675611 
1 1 1   26   15   -2 o   9.1841   2.6769   12.214   7.0082   9.8395   9.2491   15.416   10.739   8.7280   3.1189   10.342   3.3690 -1.614303 4.591001 
1 1 1   26   15   -1 o   13.022   2.5275   24.571   8.5217   27.501   12.972   22.347   11.303   13.446   3.5424   12.189   3.3493 1.257426 4.875043 
1 1 1   26   15    0 o   6.9452   2.6078   5.3326   6.5911   0.2743   9.0475   11.053   9.6214   6.5913   2.8340   9.0969   3.1878 -2.505660 4.265337 
1 1 1   26   15    1 o   5.6552   2.4807  -1.1965   7.2274  -0.7247   9.3370  -1.9018   11.416   6.5173   2.8402   7.0087   3.0944 -0.4913964 4.200226 
1 1 1   26   15    2 o   15.932   1.6824   35.170   7.0905   34.727   9.8098   35.656   10.260   15.582   2.4226   15.760   2.5078 -0.1779013 3.486861 
1 1 1   26   15    3 o   8.2726   2.6344   9.5918   6.5923   20.367   8.9349  -3.2830   9.7664   11.740   2.8600   6.2674   2.8085 5.472152 4.008429 
1 1 1   26   15    4 o   18.208   1.5727   45.669   7.6160   41.073   10.694   50.399   10.849   16.974   2.4137   18.929   2.1733 -1.954464 3.247939 
1 1 1   26   15    5 o   15.647   1.7634   34.040   7.2818   27.902   9.6206   42.273   11.142   13.839   2.6851   17.195   2.4846 -3.356361 3.658283 
1 1 1   26   15    6 o   9.4669   2.8484   12.982   7.8337   16.635   9.7513   6.3345   13.155   10.622   3.1739   8.7744   3.5656 1.847742 4.773623 
1 1 1   26   15    7 o   10.650   2.7045   16.669   7.7505   9.9157   10.273   25.593   11.809   8.9164   3.2728   13.020   3.3557 -4.103446 4.687420 
1 1 1   26   15    8 o   7.0466   2.7664   4.6072   7.6473   7.5144   10.151   0.7914   11.629   8.3432   3.2118   7.4713   3.2127 0.8718581 4.542746 
1 1 1   26   15    9 o   7.2121   2.7500   5.5329   7.3967  -0.8840   9.4130   15.891   11.959   6.5135   2.8447   10.548   3.5590 -4.034330 4.556174 
1 1 1   26   15   10 o   28.077   1.1765  106.989   8.8722  104.166   11.457  111.218   14.022   27.555   1.5544   28.352   1.8515 -0.7971916 2.417487 
1 1 1   26   15   11 o   10.660   2.9850   16.804   8.8861   8.1947   11.032   32.710   14.995   8.6727   3.3456   14.556   3.7959 -5.883698 5.059830 
1 1 1   26   15   12 o   14.531   2.7462   30.816   10.325   41.057   11.836  -1.7819   21.118   16.842   2.7083   9.4009   4.1767 7.441128 4.977969 
1 1 1   26   15   13 o   18.918   1.7904   49.654   8.9896   41.810   12.177   59.051   13.327   16.971   2.7667   20.361   2.4888 -3.389742 3.721437 
1 1 1   26   15   14 o   12.854   2.3757   23.801   7.9001   30.153   10.053   13.544   12.775   14.383   2.7014   10.095   3.6581 4.288511 4.547445 
1 1 1   26   15   15 o   18.859   1.7472   49.293   8.7498   46.472   10.891   54.427   14.694   18.108   2.2905   19.323   2.9225 -1.214392 3.713146 
1 1 1   26   15   16 o   17.688   1.8882   43.653   8.8321   39.360   11.862   48.994   13.230   16.432   2.7874   18.383   2.7652 -1.950590 3.926296 
1 1 1   26   15   17 o   29.377   1.1617  117.170   9.1661  139.362   12.761   93.520   13.174   31.928   1.4881   25.946   1.9037 5.981709 2.416324 
1 1 1   26   15   18 o   13.331   2.3484   25.596   8.1017   32.660   10.191   13.465   13.355   14.986   2.6278   10.112   3.7286 4.873248 4.561575 
1 1 1   26   15   19 o   14.519   2.1034   29.917   7.9633   40.002   10.468   16.063   12.269   16.704   2.4023   10.549   3.6045 6.155172 4.331683 
1 1 1   26   15   20 f   24.364   1.3751   81.310   8.9617   78.158   11.548   86.084   14.210   23.708   1.8276   24.723   2.1616 -1.015282 2.830645 
1 1 1   26   15   21 o   36.571   1.1321  181.775   11.120  186.233   15.354  176.857   16.126   36.825   1.5523   35.820   1.6761 1.004662 2.284551 
1 1 1   26   15   22 o   8.2093   2.8511   9.1578   7.6885   14.587   10.321   2.3878   11.525   9.9695   3.3054   7.6066   3.2324 2.362875 4.623215 
1 1 1   26   15   23 o   19.530   1.5921   52.908   8.2787   60.763   11.343   43.954   12.111   20.721   2.0655   17.283   2.6970 3.438692 3.397107 
1 1 1   26   15   24 o   17.306   1.8211   42.133   8.3378   58.174   11.674   25.426   11.913   20.173   2.1896   12.711   3.4162 7.462873 4.057626 
1 1 1   26   15   25 o   14.287   2.1721   29.524   8.0729   35.901   10.761   21.317   12.209   15.517   2.6789   11.576   3.5708 3.941020 4.463929 
1 1 1   26   15   26 o   21.221   1.5250   62.626   8.6344   52.897   11.975   73.160   12.461   19.023   2.3969   22.628   2.0734 -3.604847 3.169233 
1 1 1   26   15   27 o   8.3663   3.0528   9.6577   8.9192   12.097   13.268   7.6472   12.047   9.4449   3.6619   8.4370   3.4180 1.007934 5.009212 
1 1 1   26   15   28 o   11.717   3.1671   22.038   10.205   14.515   17.141   26.169   12.701   10.170   4.0920   12.524   3.5902 -2.354866 5.443771 
1 1 1   26   15   29 o   12.243   3.7499   25.768   13.492   27.930   29.373   25.190   15.189   12.280   5.1864   11.977   4.0110 0.3031025 6.556470 
1 1 1   26   15   30 o   6.8387   3.1395  -4.0636   13.138  -1.2620   27.834  -4.8668   14.903   9.4901   4.4300   7.1665   3.3094 2.323586 5.529614 
1 1 1   26   15   31 o   8.6414   3.7343   6.9623   15.869   16.390   28.059   2.5286   19.242   10.714   4.7836   8.6116   3.8932 2.102174 6.167628 
1 1 1   26   16  -27 o   12.893   4.8821   33.830   23.212   33.830   23.212   0.0000   0.0000   12.893   4.8821  ?   ?  0.000000 4.882145 
1 1 1   26   16  -26 o   19.547   3.5843   63.219   18.124   63.219   18.124   0.0000   0.0000   19.547   3.5843  ?   ?  0.000000 3.584281 
1 1 1   26   16  -25 o   6.9237   3.2894 -13.0713   16.604 -13.0713   16.604   0.0000   0.0000   6.9237   3.2894  ?   ?  0.000000 3.289369 
1 1 1   26   16  -24 o   12.863   3.5683   27.295   12.761   32.855   17.070   20.254   19.211   13.662   4.2236   11.283   4.3974 2.378966 6.097186 
1 1 1   26   16  -23 o   9.7101   3.6125   13.584   12.591   25.494   17.169  -0.2760   18.521   12.268   4.2606   8.6069   3.8615 3.660913 5.750134 
1 1 1   26   16  -22 o   7.0072   3.1450  -2.4249   12.298  -2.6400   16.193  -2.1317   18.906   7.9367   3.5813   8.5491   3.8625 -0.6123800 5.267349 
1 1 1   26   16  -21 o   13.332   2.9405   27.140   10.247   40.233   18.517   21.361   12.302   15.380   4.3098   11.607   3.5850 3.772869 5.605982 
1 1 1   26   16  -20 o   20.321   1.9414   58.245   10.468   64.699   18.165   55.036   12.808   20.476   3.4238   19.445   2.5110 1.031303 4.245894 
1 1 1   26   16  -19 f   8.3677   3.3282   7.1961   11.204   0.0000   0.0000   7.1961   11.204  ?   ?    8.3677   3.3282 0.000000 3.328231 
1 1 1   26   16  -18 o   6.9289   2.7360   4.5342   7.5208   3.3282   9.8086   6.2546   11.716   7.3072   3.0352   8.3186   3.3705 -1.011445 4.535680 
1 1 1   26   16  -17 o   29.227   1.1686  116.229   9.1738  120.522   13.830  112.856   12.259   29.474   1.7550   28.595   1.6026 0.8795719 2.376607 
1 1 1   26   16  -16 o   28.464   1.1254  110.088   8.6037  125.347   11.452   90.314   13.036   30.272   1.4085   25.433   1.9226 4.839214 2.383265 
1 1 1   26   16  -15 o   17.680   1.5523   43.198   7.2968   45.485   8.9532   38.674   12.592   18.031   1.8762   16.111   3.0209 1.919529 3.556135 
1 1 1   26   16  -14 o   40.184   0.8940  218.384   9.6491  230.300   13.088  204.197   14.281   41.157   1.1840   38.673   1.3749 2.484715 1.814432 
1 1 1   26   16  -13 o   20.893   1.4220   59.902   7.9320   52.021   11.265   67.652   11.171   19.163   2.2304   22.027   1.9070 -2.864449 2.934468 
1 1 1   26   16  -12 o   19.801   1.3193   53.655   6.9765   52.230   9.0602   55.730   10.935   19.395   1.7583   19.915   2.0746 -0.5201378 2.719514 
1 1 1   26   16  -11 o   5.6498   2.4161   0.3049   6.5134   15.753   8.6713 -19.6951   9.8666   10.312   2.9696   4.5932   2.2617 5.718368 3.732811 
1 1 1   26   16  -10 o   9.1511   2.5685   12.214   6.5713   9.8336   8.6912   15.392   10.041   8.6059   3.0289   10.252   3.2497 -1.645661 4.442385 
1 1 1   26   16   -9 o   10.143   2.5985   15.118   7.1111   18.891   10.207   11.560   9.9123   11.225   3.2188   9.2338   3.2356 1.991441 4.563949 
1 1 1   26   16   -8 f   27.686   1.1266  104.007   8.3777  109.469   11.828   98.510   11.868   28.229   1.5662   26.737   1.6608 1.492027 2.282794 
1 1 1   26   16   -7 o   13.254   2.3388   25.267   8.0216   34.332   10.642   13.339   12.207   15.363   2.6762   9.9547   3.5804 5.408284 4.470012 
1 1 1   26   16   -6 o   9.1516   2.7039   12.162   7.1073   31.267   10.550  -3.7160   9.6174   14.600   2.7920   6.1379   2.7657 8.461958 3.929923 
1 1 1   26   16   -5 o   6.8984   2.6506   4.9010   6.9043  -3.0812   9.9057   12.443   9.6286   6.3301   2.8331   9.4350   3.1934 -3.104843 4.268975 
1 1 1   26   16   -4 o   14.236   1.9128   28.469   7.1286   29.790   9.6388   26.873   10.591   14.319   2.6020   13.431   3.0105 0.8886118 3.979127 
1 1 1   26   16   -3 o   7.8840   2.7670   8.1012   7.2503   15.592   10.839   2.0343   9.7539   10.364   3.3849   7.1176   2.9964 3.246149 4.520659 
1 1 1   26   16   -2 o   12.467   2.2103   22.263   7.1307   18.323   9.0880   28.574   11.502   11.094   2.9846   13.796   3.1704 -2.702662 4.354269 
1 1 1   26   16   -1 o   20.195   1.5005   56.051   8.0807   63.416   10.173   43.459   13.302   21.388   1.7872   17.183   2.9909 4.205212 3.484152 
1 1 1   26   16    0 o   19.871   1.4307   54.165   7.5850   50.458   10.232   58.688   11.301   18.970   2.0402   20.455   2.0862 -1.484470 2.917992 
1 1 1   26   16    1 o   35.243   0.9632  168.053   9.1174  173.101   12.550  162.411   13.268   35.656   1.3104   34.492   1.4322 1.164219 1.941197 
1 1 1   26   16    2 o   10.528   2.5641   16.258   7.1835   9.7853   10.017   23.112   10.308   8.8201   3.2326   12.416   3.1003 -3.595828 4.479024 
1 1 1   26   16    3 o   34.338   0.9737  159.554   8.9798  165.868   12.371  152.523   13.055   34.900   1.3198   33.417   1.4545 1.482960 1.964020 
1 1 1   26   16    4 o   21.656   1.3433   64.134   7.7750   59.463   10.395   70.065   11.713   20.667   1.8938   22.417   1.9652 -1.750570 2.729197 
1 1 1   26   16    5 o   23.433   1.2622   74.901   7.9149   79.932   10.744   68.931   11.704   24.072   1.6721   22.226   1.9813 1.845755 2.592615 
1 1 1   26   16    6 o   24.356   1.2148   80.618   7.9468   76.022   10.550   86.645   12.082   23.468   1.6849   25.011   1.8108 -1.542454 2.473484 
1 1 1   26   16    7 o   10.326   2.6862   15.707   7.5213   12.457   9.5949   20.886   12.114   9.4335   3.1878   11.755   3.5432 -2.321030 4.766173 
1 1 1   26   16    8 f   15.297   1.9404   32.852   7.7931   39.539   10.838   25.692   11.214   16.581   2.5123   13.050   3.2193 3.530126 4.083550 
1 1 1   26   16    9 o   35.251   1.1245  168.612   10.647  169.456   16.504  168.011   13.934   35.083   1.7515   35.057   1.4798 0.2653122E-01 2.292921 
1 1 1   26   16   10 o   24.600   1.4197   82.886   9.3407   73.823   11.179  103.848   17.002   23.067   1.8192   27.103   2.3590 -4.036499 2.978998 
1 1 1   26   16   11 o   29.359   1.1005  116.932   8.6780  122.490   11.743  110.243   12.881   29.935   1.4605   28.262   1.7048 1.672867 2.244903 
1 1 1   26   16   12 o   19.546   1.6513   52.837   8.5879   57.717   12.595   48.596   11.740   20.137   2.3743   18.433   2.4307 1.704470 3.397881 
1 1 1   26   16   13 o   20.161   1.6244   56.161   8.7216   58.261   12.960   54.423   11.791   20.194   2.4389   19.581   2.2850 0.6132278 3.342046 
1 1 1   26   16   14 o   30.785   1.1875  128.855   9.8191  130.675   13.939  127.063   13.834   30.764   1.6935   30.329   1.7052 0.4350929 2.403224 
1 1 1   26   16   15 o   20.870   1.4927   59.955   8.3118   63.418   10.920   55.185   12.816   21.297   1.9300   19.599   2.4908 1.697495 3.151012 
1 1 1   26   16   16 o   33.156   1.0855  149.254   9.6667  142.312   12.818  158.410   14.720   32.225   1.4809   33.935   1.6150 -1.709412 2.191206 
1 1 1   26   16   17 o   30.098   1.1341  123.173   9.1684  135.244   12.559  109.400   13.415   31.400   1.4892   28.059   1.7894 3.340567 2.328006 
1 1 1   26   16   18 o   16.826   1.7933   39.650   7.9799   53.147   10.593   21.945   12.133   19.385   2.0664   11.886   3.5379 7.499234 4.097126 
1 1 1   26   16   19 f   20.505   1.6532   58.435   9.0276   49.703   12.340   68.488   13.241   18.474   2.5555   21.887   2.2861 -3.413609 3.428838 
1 1 1   26   16   20 o   8.5802   2.9722   10.300   8.3529   12.982   10.271   5.0629   14.354   9.4911   3.2954   8.6168   3.6316 0.8742533 4.903943 
1 1 1   26   16   21 o   21.109   1.6075   62.001   9.0454   55.543   12.159   70.005   13.536   19.586   2.3587   22.037   2.3218 -2.450731 3.309702 
1 1 1   26   16   22 o   33.530   1.1934  153.721   10.747  159.167   14.290  146.630   16.307   33.899   1.5695   32.270   1.8897 1.629570 2.456455 
1 1 1   26   16   23 o   6.3663   2.7335   1.0712   8.3970   1.9510   12.155   0.2679   11.614   7.5447   3.2643   7.1599   3.1426 0.3847823 4.531127 
1 1 1   26   16   24 o   11.765   3.0545   21.858   9.7370   30.235   14.455   14.898   13.175   13.372   3.8292   9.9682   3.6979 3.403802 5.323225 
1 1 1   26   16   25 o   13.001   3.0195   26.737   10.342   28.170   18.084   26.041   12.608   12.526   4.3714   12.485   3.5765 0.4028606E-01 5.648012 
1 1 1   26   16   26 o   13.116   3.1352   27.752   10.895   30.698   17.930   26.028   13.717   12.887   4.3577   12.271   3.7849 0.6161690 5.771933 
1 1 1   26   16   27 o   12.429   3.5923   26.561   12.668   40.550   27.459   22.778   14.279   13.566   5.2656   11.389   3.8886 2.177526 6.545807 
1 1 1   26   16   28 o   5.5438   2.7341 -24.4700   14.611 -45.2900   26.806 -15.6696   17.428   7.0297   3.5067   6.7656   3.2557 0.2641068 4.785068 
1 1 1   26   16   29 o   9.5571   4.1375   11.881   19.551   32.510   27.080 -10.5800   28.257   12.116   5.0388   8.7010   4.1764 3.415027 6.544580 
1 1 1   26   16   30 f   11.094   4.9693   24.760   30.545   0.0000   0.0000   24.760   30.545  ?   ?    11.094   4.9693 0.000000 4.969330 
1 1 1   26   17  -25 o   16.260   4.1073   48.831   17.943   48.831   17.943   0.0000   0.0000   16.260   4.1073  ?   ?  0.000000 4.107290 
1 1 1   26   17  -24 o   19.994   3.3541   65.646   17.375   65.646   17.375   0.0000   0.0000   19.994   3.3541  ?   ?  0.000000 3.354105 
1 1 1   26   17  -23 o   13.915   3.6653   33.232   13.889   32.313   17.831   34.650   22.149   13.132   4.3442   13.171   4.8100 -0.3934383E-01 6.481372 
1 1 1   26   17  -22 o   32.802   1.7492  152.127   15.355  144.432   20.312  162.389   23.458   31.232   2.4408   32.810   2.6854 -1.578079 3.628858 
1 1 1   26   17  -21 o   10.352   3.6784   17.062   12.848   29.525   17.468   2.3731   18.964   12.845   4.3014   8.8368   3.9400 4.008285 5.833186 
1 1 1   26   17  -20 o   17.004   2.9272   44.443   12.887   52.482   17.547   35.029   18.988   17.790   3.7884   13.916   4.4751 3.873383 5.863277 
1 1 1   26   17  -19 o   21.628   2.3880   68.345   13.641   57.254   18.747   80.821   19.884   18.612   3.8761   22.700   3.3631 -4.088186 5.131688 
1 1 1   26   17  -18 o   26.023   2.4853   98.890   17.160  100.300   28.899   98.122   21.327   24.017   4.6480   25.268   3.2153 -1.251217 5.651721 
1 1 1   26   17  -17 o   10.477   3.3503   16.967   10.654   7.9430   22.100   19.700   12.160   10.178   4.4025   11.173   3.5800 -0.9950285 5.674370 
1 1 1   26   17  -16 o   11.048   2.8266   18.562   8.4217   11.224   11.286   27.784   12.651   9.1672   3.4182   13.221   3.5057 -4.053367 4.896310 
1 1 1   26   17  -15 o   7.5825   2.7480   7.3945   7.2090   16.329   9.2042  -6.7834   11.595   10.356   3.0811   6.3219   2.9192 4.034286 4.244443 
1 1 1   26   17  -14 o   28.467   1.3677  111.017   10.457  143.824   15.006   80.038   14.582   32.161   1.7436   23.640   2.3267 8.520798 2.907509 
1 1 1   26   17  -13 o   14.514   1.9374   29.844   7.3642   24.744   9.9169   36.114   10.995   12.786   2.9481   15.632   2.7174 -2.846873 4.009403 
1 1 1   26   17  -12 o   7.4079   2.7425   6.6489   7.2391   21.928   10.277  -8.3966   10.198   11.971   3.1527   5.7036   2.6687 6.267583 4.130527 
1 1 1   26   17  -11 o   5.2404   2.3873  -3.8494   7.4062  -5.9671   9.2532  -0.0744   12.354   5.6613   2.6120   7.4528   3.2569 -1.791528 4.174900 
1 1 1   26   17  -10 o   25.225   1.2839   87.024   8.6700   88.319   12.438   85.801   12.092   25.169   1.8528   24.819   1.8268 0.3504333 2.601952 
1 1 1   26   17   -9 o   10.938   2.5373   17.658   7.3097   9.8439   9.9344   26.883   10.794   8.7567   3.2178   13.330   3.0771 -4.573583 4.452319 
1 1 1   26   17   -8 o   22.728   1.2852   70.657   7.8137   71.880   10.323   69.018   11.956   22.772   1.7000   22.165   2.0309 0.6065426 2.648548 
1 1 1   26   17   -7 o   20.567   1.3887   58.067   7.6268   64.405   10.444   50.827   11.163   21.501   1.8258   18.908   2.2418 2.592974 2.891207 
1 1 1   26   17   -6 o   34.707   1.0890  163.523   10.151  156.806   15.981  168.068   13.144   33.648   1.7745   35.066   1.3955 -1.418415 2.257554 
1 1 1   26   17   -5 o   18.223   1.6323   46.006   7.9048   29.110   11.453   61.380   10.924   13.877   3.1452   20.933   1.9660 -7.055927 3.709132 
1 1 1   26   17   -4 o   12.466   2.4499   22.647   7.9101   33.008   12.692   16.068   10.115   14.733   3.2905   10.401   3.2570 4.331855 4.629854 
1 1 1   26   17   -3 o   21.274   1.4561   62.202   8.2699   49.784   12.419   72.095   11.085   18.576   2.5568   22.765   1.8284 -4.189070 3.143274 
1 1 1   26   17   -2 o   19.052   1.7243   50.412   8.7279   47.997   12.241   52.911   12.448   18.229   2.5716   19.202   2.4709 -0.9734020 3.566270 
1 1 1   26   17   -1 o   13.507   2.3807   26.379   8.3216   30.017   11.705   22.661   11.833   14.095   3.1688   12.161   3.4585 1.934366 4.690723 
1 1 1   26   17    0 o   11.865   2.6788   20.815   8.3349   20.925   13.334   20.744   10.678   11.720   3.7482   11.689   3.2718 0.3061676E-01 4.975286 
1 1 1   26   17    1 o   15.105   2.1278   32.415   8.3934   37.801   13.423   28.957   10.755   15.809   3.2691   13.925   2.9665 1.884569 4.414430 
1 1 1   26   17    2 o   13.488   2.2654   26.143   7.9163   25.495   11.481   26.729   10.930   12.927   3.2965   13.308   3.1132 -0.3805113 4.534138 
1 1 1   26   17    3 o   28.608   1.1694  111.253   8.9858   92.538   12.837  129.233   12.582   25.790   1.8658   30.703   1.5258 -4.912481 2.410213 
1 1 1   26   17    4 o   20.268   1.5471   56.659   8.3584   61.420   11.871   51.977   11.771   20.860   2.1494   19.085   2.3457 1.774820 3.181541 
1 1 1   26   17    5 o   13.847   2.2494   27.515   8.0787   34.226   11.708   21.415   11.162   15.152   2.9829   11.845   3.3556 3.307075 4.489700 
1 1 1   26   17    6 o   17.458   1.6380   42.269   7.5908   47.607   10.134   35.444   11.458   18.361   2.0922   15.481   2.8611 2.880424 3.544441 
1 1 1   26   17    7 o   14.510   2.2048   30.111   8.3227   25.967   11.860   34.131   11.682   13.002   3.3688   15.122   2.9821 -2.119544 4.499137 
1 1 1   26   17    8 o   13.678   2.1276   26.716   7.5623   46.479   10.335   3.9458   11.094   18.099   2.1694   7.7862   3.2306 10.31245 3.891350 
1 1 1   26   17    9 o   16.282   2.0114   37.455   8.6094   44.206   11.456   28.693   13.051   17.482   2.5118   13.581   3.5411 3.901169 4.341536 
1 1 1   26   17   10 o   10.349   2.6413   15.910   7.3662   12.413   9.7648   20.528   11.221   9.3683   3.2154   11.570   3.3915 -2.201224 4.673492 
1 1 1   26   17   11 o   13.803   2.1956   27.358   7.8671   30.195   10.642   23.939   11.683   14.212   2.8863   12.438   3.3998 1.773758 4.459733 
1 1 1   26   17   12 o   23.438   1.3755   75.428   8.6212   77.019   11.777   73.591   12.655   23.463   1.8846   22.829   2.0869 0.6336746 2.811975 
1 1 1   26   17   13 o   23.689   1.4476   77.272   9.1661   55.924   12.658  100.812   13.291   19.680   2.4474   26.865   1.8533 -7.185001 3.069933 
1 1 1   26   17   14 o   13.243   2.4111   25.656   8.2600   36.721   11.697   14.651   11.665   15.659   2.8877   10.038   3.5105 5.620950 4.545552 
1 1 1   26   17   15 o   23.704   1.4552   77.512   9.2200   75.767   12.423   79.652   13.756   23.155   2.0177   23.643   2.1912 -0.4871216 2.978653 
1 1 1   26   17   16 o   5.7505   2.5544  -1.6734   7.8946   1.9807   10.550  -6.3224   11.900   7.2136   3.0797   6.4535   2.9720 0.7600188 4.279866 
1 1 1   26   17   17 o   24.771   1.3927   84.612   9.2282   87.016   12.879   82.077   13.229   24.817   1.9478   24.022   2.0706 0.7948895 2.842774 
1 1 1   26   17   18 o   38.433   1.1682  201.882   12.059  232.626   19.209  181.883   15.493   40.814   1.7523   36.210   1.5930 4.604309 2.368150 
1 1 1   26   17   19 o   8.3182   3.0922   9.2120   9.2220   12.853   11.706   3.2571   14.972   9.4615   3.4905   8.3380   3.6151 1.123486 5.025234 
1 1 1   26   17   20 o   12.327   2.7056   23.267   8.7121   30.287   12.273   16.136   12.369   13.697   3.3612   10.188   3.6104 3.508769 4.932779 
1 1 1   26   17   21 o   15.826   2.4337   37.312   10.014   36.486   17.332   37.726   12.269   14.298   4.2217   15.498   3.0561 -1.199597 5.211801 
1 1 1   26   17   22 o   11.613   3.2747   22.059   10.656   8.7117   14.454   37.948   15.771   8.8811   3.6864   14.769   3.9130 -5.887749 5.375973 
1 1 1   26   17   23 o   15.033   3.4830   37.773   13.788   25.900   29.437   41.110   15.606   11.936   5.1213   15.411   3.7952 -3.475071 6.374287 
1 1 1   26   17   24 o   15.068   3.3995   37.978   13.431   30.824   18.775   45.475   19.220   12.620   4.4507   15.416   4.4158 -2.796069 6.269569 
1 1 1   26   17   25 o   11.363   4.3380   24.321   18.420   0.0000   0.0000   24.321   18.420  ?   ?    11.363   4.3380 0.000000 4.337982 
1 1 1   26   17   26 o   5.0887   2.5828 -55.3762   18.361 -88.0000   25.932 -22.5800   26.000   5.6358   2.8793   7.7585   3.7894 -2.122703 4.759187 
1 1 1   26   17   27 o   18.157   4.3839   64.996   21.137   92.500   28.426   30.980   31.612   20.433   5.1742   11.571   5.1270 8.862151 7.284073 
1 1 1   26   17   28 o   9.3848   4.3181   8.9590   25.049   8.9590   25.049   0.0000   0.0000   9.3848   4.3181  ?   ?  0.000000 4.318128 
1 1 1   26   18  -24 f   13.247   5.1355   44.700   26.094   44.700   26.094   0.0000   0.0000   13.247   5.1355  ?   ?  0.000000 5.135470 
1 1 1   26   18  -23 o   12.382   4.3553   31.413   17.968   31.413   17.968   0.0000   0.0000   12.382   4.3553  ?   ?  0.000000 4.355331 
1 1 1   26   18  -22 o   15.135   4.1102   43.303   17.140   43.303   17.140   0.0000   0.0000   15.135   4.1102  ?   ?  0.000000 4.110184 
1 1 1   26   18  -21 o   8.4398   3.3391   9.7335   11.221  -3.7407   15.951   22.934   15.789   7.4153   3.4241   11.195   4.0653 -3.779424 5.315146 
1 1 1   26   18  -20 o   9.7130   3.6067   15.152   12.539   13.660   17.488   16.731   17.988   9.7865   4.0579   10.266   4.1704 -0.4794979 5.818830 
1 1 1   26   18  -19 o   13.509   3.4805   30.805   12.706   28.269   16.926   34.079   19.233   12.372   4.2337   13.279   4.5132 -0.9065819 6.188108 
1 1 1   26   18  -18 o   11.662   3.6180   23.081   12.514   27.200   16.692   17.795   18.909   12.271   4.2043   10.652   4.2938 1.619142 6.009422 
1 1 1   26   18  -17 o   14.240   4.0061   35.606   15.967   36.250   27.209   35.267   19.719   13.368   5.2268   13.682   4.5701 -0.3139353 6.943038 
1 1 1   26   18  -16 o   20.491   4.3427   73.886   23.159   65.000   28.694   90.490   39.224   17.637   5.4798   19.237   6.4456 -1.599812 8.460135 
1 1 1   26   18  -15 o   9.8058   3.7967   13.611   14.249   5.6770   21.733   19.592   18.871   9.6563   4.2662   11.155   4.3553 -1.498946 6.096622 
1 1 1   26   18  -14 f   18.130   3.1720   51.225   14.883   76.300   23.186   33.652   19.410   21.155   4.2283   13.685   4.5327 7.470071 6.198729 
1 1 1   26   18  -13 o   15.757   2.2795   36.238   9.3671   38.563   10.282   24.890   22.717   16.172   2.4433   12.251   4.7798 3.921069 5.368067 
1 1 1   26   18  -12 o   25.838   1.4667   92.424   10.137  110.405   14.274   74.127   14.399   27.962   1.9120   22.560   2.4137 5.402336 3.079232 
1 1 1   26   18  -11 o   30.362   1.1120  125.711   9.0680  152.577   13.086  100.891   12.578   33.264   1.4647   26.848   1.7538 6.416216 2.284968 
1 1 1   26   18  -10 o   19.113   1.5295   50.743   7.7862   38.962   10.822   63.385   11.211   16.248   2.5650   21.140   1.9982 -4.892138 3.251446 
1 1 1   26   18   -9 o   12.565   2.6055   23.581   8.5043   31.398   12.794   17.394   11.383   14.107   3.4136   10.627   3.4688 3.480678 4.866716 
1 1 1   26   18   -8 o   22.957   1.4889   72.865   9.1310   89.408   14.617   62.279   11.693   25.036   2.1960   20.915   2.1104 4.120775 3.045631 
1 1 1   26   18   -7 o   24.727   1.4070   84.202   9.3059   82.747   14.611   85.195   12.071   24.030   2.2916   24.661   1.8354 -0.6313362 2.936045 
1 1 1   26   18   -6 o   8.5339   2.9313   10.232   8.1162   12.435   12.856   8.7719   10.465   9.6570   3.6389   8.5289   3.2665 1.128100 4.889985 
1 1 1   26   18   -5 o   7.3389   2.9243   5.1015   8.6639   15.509   16.682   1.2576   10.138   10.674   4.1151   6.9994   3.0044 3.674568 5.095113 
1 1 1   26   18   -4 o   5.8529   2.5943  -1.6186   8.1017  -4.5203   12.645   0.4019   10.552   6.9112   3.1372   6.9832   3.0313 -0.7197571E-01 4.362433 
1 1 1   26   18   -3 o   30.320   1.4606  126.298   11.895  137.530   20.057  120.204   14.773   30.953   2.4321   29.307   1.8868 1.645798 3.078199 
1 1 1   26   18   -2 o   13.093   2.5211   25.259   8.5439   18.727   13.793   29.326   10.883   11.096   3.8208   13.902   3.0024 -2.806669 4.859323 
1 1 1   26   18   -1 o   21.530   1.6690   64.448   9.5758   45.748   16.860   73.354   11.635   16.945   3.7983   22.859   1.9126 -5.913338 4.252649 
1 1 1   26   18    0 o   11.300   2.8597   19.313   8.6868   29.370   13.310   11.851   11.465   13.631   3.5870   9.3829   3.4555 4.247985 4.980635 
1 1 1   26   18    1 o   7.8981   2.9874   7.4258   8.6850   9.6775   12.525   5.3402   12.054   9.0899   3.5484   8.1999   3.3818 0.8899336 4.901783 
1 1 1   26   18    2 o   7.9676   2.9133   8.1204   8.1288   12.754   12.368   4.5961   10.786   9.6892   3.5851   7.7720   3.2014 1.917238 4.806462 
1 1 1   26   18    3 o   13.587   2.4499   27.043   8.6115   24.797   13.575   28.555   11.140   12.486   3.7479   13.660   3.1064 -1.173807 4.867966 
1 1 1   26   18    4 o   17.135   1.9356   41.480   8.7520   28.434   13.810   50.237   11.314   13.340   3.7162   18.695   2.3018 -5.355117 4.371348 
1 1 1   26   18    5 o   16.355   2.0943   38.160   8.9885   48.461   14.265   31.378   11.576   17.910   3.0762   14.327   3.0982 3.582696 4.365997 
1 1 1   26   18    6 o   12.138   2.6848   22.072   8.5208   32.269   13.063   14.519   11.242   14.341   3.4362   9.9523   3.4481 4.389032 4.867943 
1 1 1   26   18    7 o   13.360   2.6953   26.675   9.3385   31.376   13.011   21.681   13.411   14.111   3.4595   11.710   3.7604 2.401480 5.109728 
1 1 1   26   18    8 o   16.405   2.2041   38.717   9.4661   38.389   13.621   39.023   13.165   15.709   3.3315   15.931   3.1880 -0.2215700 4.611122 
1 1 1   26   18    9 o   5.0877   2.3755  -6.4682   8.0109   1.4148   11.651 -13.5372   11.033   7.4106   3.2011   5.4412   2.6111 1.969397 4.130952 
1 1 1   26   18   10 o   16.062   2.1616   37.138   9.0890   31.582   14.143   41.047   11.863   13.955   3.7094   16.571   2.7627 -2.615806 4.625188 
1 1 1   26   18   11 o   8.5559   2.9108   10.515   8.0005   16.704   10.827   3.0714   11.874   10.400   3.3825   7.6986   3.2765 2.701542 4.709218 
1 1 1   26   18   12 o   5.3785   2.4491  -3.6038   7.7841   4.3633   10.879 -11.9624   11.143   7.6636   3.1909   5.5973   2.6692 2.066317 4.160129 
1 1 1   26   18   13 o   6.7616   2.7570   3.7364   7.8978   9.4747   11.084  -2.1819   11.256   8.6735   3.3513   6.7235   3.0139 1.950005 4.507204 
1 1 1   26   18   14 f   6.7544   2.8293   2.7963   8.6264   1.9975   13.113   3.4059   11.454   7.7560   3.3730   7.5895   3.2238 0.1665239 4.665838 
1 1 1   26   18   15 o   11.081   2.9344   19.223   8.8715   22.547   13.396   16.628   11.840   11.650   3.7602   10.275   3.5398 1.374227 5.164256 
1 1 1   26   18   16 o   12.752   2.7994   25.187   9.3255   28.679   13.815   22.264   12.640   13.013   3.7485   11.568   3.6440 1.445151 5.227810 
1 1 1   26   18   17 o   5.4782   2.5511  -6.1302   9.1432 -11.3859   11.299   3.8412   15.563   5.6313   2.6860   8.3895   3.6611 -2.758187 4.540764 
1 1 1   26   18   18 o   23.092   1.5771   74.931   9.7230   80.315   13.270   68.689   14.287   23.497   2.1256   21.378   2.5377 2.118912 3.310346 
1 1 1   26   18   19 o   8.3373   3.3746   8.3337   11.731   16.433   14.319  -8.2018   20.460   10.111   3.8331   7.9726   3.7461 2.138221 5.359662 
1 1 1   26   18   20 o   6.7802   3.1187  -4.1391   13.053 -25.3953   17.875   20.140   19.104   6.2813   3.0832   10.817   4.3316 -4.536157 5.316847 
1 1 1   26   18   21 o   9.1658   3.5656   12.735   12.613   5.5657   16.717   22.211   19.219   8.5580   3.7629   11.021   4.3667 -2.462677 5.764340 
1 1 1   26   18   22 o   9.2797   3.5723   13.685   12.558   49.780   17.567 -24.0394   17.959   16.420   4.0163   6.3001   3.0920 10.11986 5.068676 
1 1 1   26   18   23 o   10.635   3.6994   20.485   12.946   11.054   17.173   32.903   19.705   9.1363   3.9156   12.447   4.5383 -3.310903 5.993975 
1 1 1   26   18   24 f   6.2802   3.0096 -11.5979   14.544 -23.5800   24.952  -5.4321   17.899   7.4214   3.6428   7.4376   3.4976 -0.1611423E-01 5.050113 
1 1 1   26   18   25 o   6.7784   3.2755 -13.9999   18.087  -1.9570   23.294 -32.2800   28.700   8.3475   3.9452   7.4658   3.7085 0.8816504 5.414567 
1 1 1   26   18   26 o   8.0500   3.6716   3.6896   17.585   30.010   22.905 -34.1000   27.445   11.192   4.6426   7.1555   3.5661 4.036535 5.854147 
1 1 1   26   19  -23 o   8.8118   4.1779   4.5070   26.522   4.5070   26.522   0.0000   0.0000   8.8118   4.1779  ?   ?  0.000000 4.177937 
1 1 1   26   19  -22 o   8.6211   3.9595   6.1280   20.931   6.1280   20.931   0.0000   0.0000   8.6211   3.9595  ?   ?  0.000000 3.959538 
1 1 1   26   19  -21 f   8.2408   3.6564   6.3456   16.132   6.3456   16.132   0.0000   0.0000   8.2408   3.6564  ?   ?  0.000000 3.656406 
1 1 1   26   19  -20 o   7.1888   3.3729  -5.1979   16.484  -5.1979   16.484   0.0000   0.0000   7.1888   3.3729  ?   ?  0.000000 3.372916 
1 1 1   26   19  -19 o   10.119   3.7886   18.427   13.891   0.3977   24.045   27.459   17.019   8.7582   4.0979   11.674   4.2235 -2.916148 5.884786 
1 1 1   26   19  -18 o   6.8266   3.1577  -3.9850   13.653   2.7830   16.768 -17.3000   23.519   8.1257   3.6575   7.6323   3.6995 0.4934416 5.202258 
1 1 1   26   19  -17 o   13.864   3.3972   32.992   12.551   17.165   17.413   50.108   18.107   10.121   4.1061   16.353   4.1235 -6.231903 5.819199 
1 1 1   26   19  -16 o   7.1399   3.1466   1.5315   11.752 -23.8191   15.966   31.501   17.360   5.8993   2.8994   12.735   4.2880 -6.835282 5.176225 
1 1 1   26   19  -15 o   19.066   3.1108   58.552   15.381   69.170   25.689   52.619   19.203   18.166   5.0713   16.810   4.2505 1.356064 6.617002 
1 1 1   26   19  -14 o   7.1576   3.2426  -1.7331   13.429 -13.0200   19.788   7.9024   18.283   7.4648   3.5590   9.1457   3.9802 -1.680852 5.339314 
1 1 1   26   19  -13 o   5.4357   2.6418 -16.6256   12.208 -17.5930   16.708 -15.5175   17.881   6.5359   3.1559   6.9403   3.3289 -0.4043980 4.587041 
1 1 1   26   19  -12 o   7.9976   3.3631   5.6608   12.265   15.911   16.917  -5.7000   17.809   10.226   4.0826   7.7352   3.5880 2.490635 5.435210 
1 1 1   26   19  -11 o   7.4899   3.2673   2.0442   12.384   2.0442   12.384   0.0000   0.0000   7.4899   3.2673  ?   ?  0.000000 3.267308 
1 1 1   26   19  -10 o   6.2528   2.8091  -2.0102   9.8365  -8.9286   12.188   10.915   16.659   6.1346   2.8853   9.5277   3.9564 -3.393095 4.896704 
1 1 1   26   19   -9 o   19.720   1.9715   55.829   10.302   51.996   13.767   60.707   15.530   18.385   2.8829   19.770   3.0206 -1.385223 4.175528 
1 1 1   26   19   -8 o   19.312   1.9956   53.568   10.202   58.657   13.876   47.581   15.052   19.722   2.6895   17.210   3.3768 2.512156 4.317033 
1 1 1   26   19   -7 o   19.434   1.9262   53.943   9.9216   74.075   13.652   31.409   14.444   22.537   2.2870   13.626   3.8022 8.911347 4.437007 
1 1 1   26   19   -6 o   19.274   1.9382   53.050   9.8974   68.561   13.739   36.315   14.270   21.600   2.4091   14.846   3.6129 6.754128 4.342463 
1 1 1   26   19   -5 o   8.0849   3.1257   8.0188   9.6464   16.227   12.726  -3.0686   14.790   10.240   3.6585   7.4923   3.3978 2.748171 4.992948 
1 1 1   26   19   -4 o   7.3325   2.9810   4.9276   9.1997   4.1901   15.902   5.2986   11.279   8.6156   3.7306   7.8715   3.2609 0.7441688 4.954900 
1 1 1   26   19   -3 o   10.319   3.1259   16.662   9.4108   42.170   23.978   12.017   10.232   14.840   5.0392   9.1138   3.2779 5.725800 6.011496 
1 1 1   26   19   -2 o   5.8572   2.5727  -0.6010   7.7970  -5.0620   12.478   2.2565   9.9867   6.6970   3.0689   7.0354   2.9998 -0.3383908 4.291516 
1 1 1   26   19   -1 o   10.783   3.0032   18.150   9.0201 -10.0922   16.204   30.831   10.858   7.1558   3.3532   14.124   2.9569 -6.968613 4.470699 
1 1 1   26   19    0 o   22.981   1.4636   73.284   8.9868   91.075   14.783   62.853   11.319   25.131   2.2126   20.962   2.0360 4.168482 3.006821 
1 1 1   26   19    1 o   9.9968   3.0115   15.475   8.7528   13.277   13.138   17.228   11.737   9.6902   3.6721   10.471   3.5258 -0.7804041 5.090692 
1 1 1   26   19    2 o   10.556   2.9844   17.360   8.8379   20.821   13.560   14.804   11.653   11.312   3.7898   9.8903   3.5044 1.422110 5.161686 
1 1 1   26   19    3 o   15.490   2.1507   34.816   8.7069   76.463   14.205   9.7518   11.020   22.909   2.3415   8.6972   3.3469 14.21144 4.084653 
1 1 1   26   19    4 o   29.882   1.2182  122.427   9.7776  124.180   15.935  121.369   12.383   29.511   2.0225   29.517   1.5675 -0.6685257E-02 2.558860 
1 1 1   26   19    5 o   19.893   1.8562   56.169   9.8029   55.833   13.946   56.497   13.783   19.221   2.7823   19.380   2.7229 -0.1593132 3.893003 
1 1 1   26   19    6 o   4.2473   2.0796 -13.9947   7.9754  -4.9442   12.443 -20.3063   10.391   6.6771   3.0616   4.6519   2.2964 2.025280 3.827076 
1 1 1   26   19    7 o   26.278   1.4810   96.027   10.410  110.838   15.269   83.164   14.230   27.803   2.0594   23.927   2.2403 3.876497 3.043030 
1 1 1   26   19    8 o   7.9575   3.1059   7.6397   9.5944   1.0889   14.632   12.580   12.707   7.9092   3.4971   9.4205   3.6015 -1.511250 5.020009 
1 1 1   26   19    9 o   5.5693   2.5725  -5.1281   9.0145   9.6118   12.966 -18.9167   12.541   8.8681   3.5624   5.4118   2.6407 3.456290 4.434368 
1 1 1   26   19   10 o   16.179   2.9416   40.781   12.311   47.551   17.285   33.810   17.540   16.625   3.9325   13.639   4.2920 2.985862 5.821106 
1 1 1   26   19   11 o   10.722   2.9961   18.347   8.9620   18.985   10.933   17.042   15.646   10.757   3.3892   10.387   3.9902 0.3699942 5.235283 
1 1 1   26   19   12 o   4.6708   2.2564 -11.5144   8.5678  -9.8051   10.524 -14.8741   14.755   5.5164   2.6202   6.2817   3.0159 -0.7652941 3.995114 
1 1 1   26   19   13 o   31.108   1.3354  134.074   11.158  145.863   14.281  115.604   17.876   32.143   1.6599   27.863   2.4124 4.280159 2.928272 
1 1 1   26   19   14 o   20.373   2.2805   61.610   12.265   94.357   19.091   38.593   16.005   24.507   2.9602   14.655   3.9685 9.852282 4.950920 
1 1 1   26   19   15 o   20.758   2.3708   64.651   12.981   80.613   15.479   26.813   23.833   23.021   2.5460   11.738   4.7879 11.28284 5.422766 
1 1 1   26   19   16 o   17.354   2.5251   46.166   11.424   42.078   15.153   51.551   17.391   15.486   3.6946   16.976   3.8965 -1.490398 5.369582 
1 1 1   26   19   17 o   11.307   3.5242   22.493   11.858   43.479   17.594   5.0259   16.051   15.076   4.1927   8.3348   3.6751 6.740891 5.575386 
1 1 1   26   19   18 o   8.2353   3.5944   5.8794   15.005   25.370   23.561  -7.4206   19.463   11.205   4.6834   7.6326   3.6070 3.572628 5.911357 
1 1 1   26   19   19 o   8.8281   3.6364   11.247   13.916  -4.4410   16.411   51.390   26.253   7.2949   3.4040   14.296   5.2343 -7.001447 6.243848 
1 1 1   26   19   20 o   15.076   3.4417   40.130   13.630   29.294   18.807   52.118   19.780   11.706   4.4032   15.817   4.4622 -4.110582 6.268926 
1 1 1   26   19   21 f   9.1358   3.5820   14.210   12.806   21.858   17.120   4.4942   19.296   10.459   4.1286   8.4069   3.8389 2.051833 5.637563 
1 1 1   26   19   22 o   10.955   3.9952   24.645   15.272   19.010   22.607   29.375   20.714   9.9406   4.3733   11.254   4.5089 -1.312956 6.281383 
1 1 1   26   19   23 o   8.1527   3.6573   6.5781   16.608  -6.7570   20.722   30.530   27.772   7.5192   3.6004   10.816   4.7985 -3.297300 5.999036 
1 1 1   26   20  -19 o   12.071   4.1656   32.424   16.400   32.424   16.400   0.0000   0.0000   12.071   4.1656  ?   ?  0.000000 4.165640 
1 1 1   26   20  -18 o   18.190   2.5795   53.216   12.250   46.537   16.665   61.067   18.067   15.154   4.0259   17.733   3.8993 -2.578846 5.604736 
1 1 1   26   20  -17 o   8.3002   3.3853   10.403   11.912 -17.6693   15.683   48.677   18.313   6.0087   2.9365   15.193   4.2960 -9.184198 5.203755 
1 1 1   26   20  -16 o   21.430   2.3515   70.982   13.313   86.219   18.697   55.311   18.961   22.498   3.1828   16.499   4.2519 5.998901 5.311244 
1 1 1   26   20  -15 o   14.739   3.3139   37.951   12.801   44.461   17.693   30.800   18.543   14.766   4.2389   11.912   4.3934 2.853442 6.104901 
1 1 1   26   20  -14 o   7.9461   3.3500   7.3149   12.220  -4.9467   16.705   21.427   17.922   7.2592   3.4026   10.505   4.1994 -3.246205 5.404839 
1 1 1   26   20  -13 o   5.6680   2.7171 -11.0912   11.874 -20.0917   17.270  -3.0213   16.353   6.3129   3.0844   7.4076   3.4368 -1.094728 4.617918 
1 1 1   26   20  -12 o   15.849   3.4973   43.833   14.489   49.310   24.997   41.063   17.780   14.324   5.1264   14.336   4.2862 -0.1175404E-01 6.682189 
1 1 1   26   20  -11 o   14.083   3.3368   33.967   12.428   37.103   17.144   30.494   18.043   13.725   4.2309   12.273   4.3592 1.452310 6.074848 
1 1 1   26   20  -10 o   8.7749   3.6808   9.7248   14.633   7.5821   17.508   14.690   26.651   8.8233   3.8659   10.293   4.6242 -1.470143 6.027306 
1 1 1   26   20   -9 o   9.1155   3.6678   12.158   13.770   27.443   17.026 -16.7500   23.414   11.920   4.2346   7.7264   3.7320 4.193374 5.644432 
1 1 1   26   20   -8 o   5.1418   2.4590  -9.9662   9.6005  -5.7382   12.793 -15.4180   14.527   6.5024   3.0245   6.0938   2.9425 0.4085126 4.219742 
1 1 1   26   20   -7 o   8.3466   3.1731   10.009   9.8296   12.444   13.165   6.9416   14.777   9.1680   3.6200   8.4724   3.6316 0.6956568 5.127671 
1 1 1   26   20   -6 o   8.3062   3.1508   9.8423   9.6789   9.2431   12.939   10.604   14.585   8.5949   3.5194   9.0155   3.7193 -0.4205904 5.120433 
1 1 1   26   20   -5 o   14.358   2.8572   32.677   10.631   53.655   17.842   21.129   13.237   17.418   3.9097   11.000   3.7442 6.417201 5.413334 
1 1 1   26   20   -4 o   5.8609   2.6522  -2.3704   8.9542   9.5478   12.851 -13.6162   12.483   8.6649   3.5230   5.7275   2.7560 2.937397 4.472981 
1 1 1   26   20   -3 o   11.118   3.0355   20.138   9.3193   32.425   13.269   8.1791   13.091   13.745   3.5643   8.4756   3.5123 5.269937 5.004067 
1 1 1   26   20   -2 o   9.2020   3.2981   13.236   10.350   15.647   16.583   11.697   13.247   10.050   4.0317   9.1117   3.6206 0.9385185 5.418796 
1 1 1   26   20   -1 o   7.8828   3.0607   8.0699   9.2798   12.635   13.630   4.1253   12.670   9.3233   3.6827   7.7760   3.3486 1.547297 4.977455 
1 1 1   26   20    0 o   6.9430   2.9712   2.7366   9.8620   0.6713   15.944   4.0164   12.551   7.9517   3.5740   7.7378   3.3324 0.2139587 4.886605 
1 1 1   26   20    1 o   9.8692   3.1521   15.810   9.4326   9.9777   13.682   21.093   13.022   8.8660   3.6234   11.050   3.7138 -2.183960 5.188570 
1 1 1   26   20    2 o   10.354   3.2286   17.666   9.9508   19.501   13.095   15.160   15.308   10.682   3.7203   9.8897   3.9040 0.7926359 5.392732 
1 1 1   26   20    3 o   7.9319   3.1585   7.7324   10.101   14.412   12.762  -3.4706   16.528   9.5856   3.6224   7.6173   3.5059 1.968250 5.041113 
1 1 1   26   20    4 o   7.8232   3.2202   6.5106   10.904   12.078   13.392  -4.4382   18.780   9.1764   3.6423   7.9336   3.6816 1.242755 5.178846 
1 1 1   26   20    5 o   6.4095   2.7953   0.9663   9.0595 -13.8431   13.138   14.392   12.509   5.8842   2.8304   9.5412   3.5906 -3.656987 4.572081 
1 1 1   26   20    6 o   6.5667   2.8791   0.8591   9.7244 -11.9727   15.018   10.124   12.761   6.5027   3.1003   8.7269   3.5240 -2.224194 4.693687 
1 1 1   26   20    7 o   12.012   2.9239   23.361   9.3445   32.277   13.883   15.976   12.635   13.495   3.7136   9.8355   3.6267 3.659258 5.190714 
1 1 1   26   20    8 o   12.772   2.8555   26.198   9.5501   26.318   13.792   26.087   13.237   12.057   3.8074   12.075   3.7169 -0.1866150E-01 5.320873 
1 1 1   26   20    9 o   25.649   1.6083   93.361   11.024   80.129   15.338  107.501   15.856   22.870   2.5399   26.903   2.2139 -4.033489 3.369394 
1 1 1   26   20   10 o   12.968   3.1561   28.160   10.889   17.757   17.102   35.253   14.121   10.186   4.0914   14.034   3.6954 -3.848101 5.513195 
1 1 1   26   20   11 o   11.723   3.1185   23.145   9.9904   21.999   14.036   24.321   14.223   10.940   3.8492   11.425   3.8811 -0.4849091 5.466228 
1 1 1   26   20   12 o   16.070   2.6788   40.814   11.155   67.502   18.510   25.592   13.979   19.586   3.6529   11.678   3.8456 7.908131 5.304035 
1 1 1   26   20   13 o   16.485   2.5450   42.490   10.906   59.998   15.010   22.912   15.872   19.114   3.0244   10.899   4.0557 8.215023 5.059222 
1 1 1   26   20   14 o   17.034   3.0524   48.250   13.452   59.006   18.173   35.213   20.008   17.802   3.9079   12.596   4.5759 5.206043 6.017550 
1 1 1   26   20   15 o   7.5720   3.3088   4.5878   12.749 -10.3811   16.779   25.038   19.611   6.7973   3.2508   10.910   4.3816 -4.112726 5.455835 
1 1 1   26   20   16 o   7.0222   3.2467  -2.1274   14.410 -16.6600   21.847   9.0629   19.171   7.2075   3.5099   8.8193   3.9447 -1.611833 5.280184 
1 1 1   26   20   17 o   11.014   3.9063   24.550   14.483   34.204   17.450   3.1790   25.962   12.475   4.2975   8.8012   4.1613 3.673930 5.981985 
1 1 1   26   20   18 o   15.520   3.3135   43.026   13.392   61.794   17.347   15.340   21.069   18.172   3.6803   9.4017   4.1748 8.770586 5.565358 
1 1 1   26   20   19 o   8.8460   3.5338   13.900   12.682   10.051   16.605   19.288   19.647   8.4858   3.7401   9.7029   4.1741 -1.217095 5.604578 
1 1 1   26   21  -14 o   6.7220   3.0576   0.7506   12.092  -6.2074   15.954   10.143   18.536   6.7341   3.2064   8.5316   3.8424 -1.797540 5.004488 
1 1 1   26   21  -13 o   16.677   3.0189   48.007   13.024   31.941   17.472   68.100   19.539   11.722   4.2735   18.293   4.0805 -6.570506 5.908785 
1 1 1   26   21  -12 o   8.3884   3.5642   10.591   14.009  -9.2550   22.031   24.064   18.152   7.4914   3.6188   10.427   4.2055 -2.935183 5.548202 
1 1 1   26   21  -11 o   21.996   2.8218   80.037   16.287  118.800   28.284   60.808   19.921   23.472   4.6507   16.915   4.3579 6.557570 6.373415 
1 1 1   26   21  -10 o   8.7063   3.5284   12.487   12.843   18.158   17.967   6.5624   18.364   9.7214   4.0783   8.3788   3.7943 1.342683 5.570387 
1 1 1   26   21   -9 o   6.8913   3.1041   0.9606   12.103   13.659   16.192 -15.1176   18.219   9.1007   3.8475   6.6654   3.2366 2.435276 5.027822 
1 1 1   26   21   -8 o   6.6980   3.2122 -10.6381   16.635 -10.6381   16.635   0.0000   0.0000   6.6980   3.2122  ?   ?  0.000000 3.212166 
1 1 1   26   21   -7 o   8.2911   3.5283   8.8918   13.767   15.823   16.469  -7.1830   25.081   9.5001   3.9384   8.1685   3.9244 1.331612 5.559883 
1 1 1   26   21   -6 o   20.043   2.4900   62.919   13.115   66.361   18.022   59.044   19.123   19.170   3.6331   17.285   4.1676 1.884634 5.528862 
1 1 1   26   21   -5 o   19.803   2.0487   58.611   10.739   63.989   14.616   52.300   15.833   19.859   2.8193   17.071   3.5680 2.788706 4.547428 
1 1 1   26   21   -4 o   6.9225   2.9074   4.5843   9.1481   8.7848   13.441   0.9597   12.486   8.2965   3.5064   7.0444   3.1648 1.252107 4.723462 
1 1 1   26   21   -3 o   11.639   2.8812   22.581   8.9591   28.766   13.800   18.075   11.779   12.263   3.7986   10.016   3.5259 2.247066 5.182834 
1 1 1   26   21   -2 o   14.177   2.4447   31.418   8.9729   38.693   13.659   25.895   11.901   14.709   3.5070   11.940   3.4906 2.768275 4.948045 
1 1 1   26   21   -1 o   7.2460   3.0030   5.7711   9.5707   31.041   16.665  -6.6658   11.691   12.285   4.2009   6.0064   2.8253 6.279094 5.062580 
1 1 1   26   21    0 o   7.2108   2.9254   6.2345   8.8377   3.1391   13.426   8.6015   11.740   7.5196   3.3361   8.0912   3.3373 -0.5715594 4.718779 
1 1 1   26   21    1 o   5.9145   2.7345  -3.9023   10.221   18.131   17.039 -16.2882   12.775   9.9801   4.0571   5.4806   2.6723 4.499547 4.858095 
1 1 1   26   21    2 o   8.0304   3.2218   9.0296   10.591   35.116   17.249  -6.7571   13.418   12.995   4.2714   6.4175   3.0211 6.577118 5.231858 
1 1 1   26   21    3 o   14.141   2.6848   32.158   9.8242   26.354   13.962   37.849   13.826   11.680   3.8432   14.442   3.5818 -2.761119 5.253511 
1 1 1   26   21    4 o   7.0821   3.0211   4.3784   10.138   8.0808   16.449   2.1108   12.873   8.5307   3.7422   7.2668   3.2427 1.263846 4.951666 
1 1 1   26   21    5 o   5.4797   2.5653  -5.5126   9.4464  -6.8540   13.423  -4.1963   13.296   6.3885   3.0118   6.6186   3.0803 -0.2301869 4.308007 
1 1 1   26   21    6 o   4.7761   2.3183 -12.0470   9.3233 -14.9863   13.942  -9.6693   12.540   5.8393   2.8345   5.9132   2.8231 -0.7387972E-01 4.000525 
1 1 1   26   21    7 o   4.8130   2.3146  -9.5793   8.7728  -8.1344   13.702 -10.5830   11.420   6.3118   2.9956   5.5290   2.6542 0.7827950 4.002293 
1 1 1   26   21    8 o   6.6851   2.8510   3.6949   9.0235  -2.0087   14.141   7.6125   11.720   6.9681   3.2198   7.8258   3.2890 -0.8576937 4.602697 
1 1 1   26   21    9 o   6.2391   2.8150  -0.4445   10.002  -9.4634   16.460   4.8349   12.594   6.7297   3.2188   7.4986   3.2823 -0.7689552 4.597208 
1 1 1   26   21   10 o   8.5486   3.3771   12.014   11.463   12.335   16.754   11.731   15.717   8.9082   3.8433   8.7629   3.7505 0.1452169 5.370010 
1 1 1   26   21   11 o   13.197   3.9901   35.925   15.345   21.650   23.601   46.379   20.196   10.074   4.4484   13.977   4.6233 -3.903419 6.415879 
1 1 1   26   21   12 o   11.510   4.2559   30.203   17.423   28.590   21.317   33.450   30.240   10.851   4.4882   10.874   4.9016 -0.2305126E-01 6.645999 
1 1 1   26   21   13 o   10.411   3.9022   22.867   14.746   10.180   20.622   36.140   21.094   8.7344   3.9807   11.823   4.6078 -3.088878 6.089202 
1 1 1   26   21   14 o   10.693   4.0127   25.322   15.601   43.330   25.285   14.250   19.826   12.021   4.9207   9.0192   4.0244 3.001462 6.356813 
1 1 1   26   22   -7 o   9.2991   3.7142   17.883   14.007   34.798   17.220 -15.1900   24.079   11.931   4.2565   7.1864   3.5375 4.744559 5.534607 
1 1 1   26   22   -6 o   10.042   3.8258   21.887   14.309   24.372   16.951   15.730   26.686   10.212   4.0834   9.1505   4.2927 1.061495 5.924685 
1 1 1   26   22   -5 o   7.9314   3.3566   9.5755   12.345  -6.9460   16.456   30.836   18.668   6.7005   3.2084   11.073   4.3294 -4.372667 5.388684 
1 1 1   26   22   -4 o   9.5051   3.5954   18.109   12.580   30.859   17.043   2.8454   18.647   11.374   4.2086   7.7837   3.6309 3.590751 5.558370 
1 1 1   26   22   -3 o   7.2911   3.2158   5.1405   12.297  -1.1157   16.363   13.259   18.640   7.1827   3.3670   8.8004   3.9163 -1.617737 5.164712 
1 1 1   26   22   -2 o   9.2465   3.2807   16.040   10.216   18.922   13.614   12.324   15.458   9.6264   3.7156   8.5665   3.6938 1.059940 5.239249 
1 1 1   26   22   -1 o   7.4414   3.1544   7.1989   10.930   9.5131   13.469   2.7372   18.702   8.0548   3.4603   7.8130   3.6418 0.2417684 5.023624 
1 1 1   26   22    0 o   6.4319   2.9204   0.3382   10.968   6.8645   15.557  -6.1120   15.466   7.9025   3.5427   6.6361   3.1590 1.266462 4.746620 
1 1 1   26   22    1 o   17.271   2.1228   46.153   9.6399   58.016   14.328   36.342   13.030   18.241   3.0308   13.737   3.5165 4.504344 4.642404 
1 1 1   26   22    2 o   8.8174   3.2711   14.268   10.310   9.3138   18.453   16.516   12.431   8.3919   3.8015   9.2202   3.5529 -0.8283129 5.203308 
1 1 1   26   22    3 o   4.6346   2.2654 -12.7563   9.3482 -25.8918   15.594  -5.3882   11.679   5.4122   2.6958   5.9341   2.8012 -0.5219221 3.887657 
1 1 1   26   22    4 o   20.081   2.1185   62.381   11.254   69.382   15.190   53.862   16.756   20.122   2.8939   16.265   3.8882 3.856636 4.846883 
1 1 1   26   22    5 o   11.533   3.3116   25.349   10.798   26.000   16.979   24.907   13.991   10.510   4.1234   10.717   3.8353 -0.2067795 5.631361 
1 1 1   26   22    6 o   5.0290   2.4631 -14.4439   11.213 -15.4144   16.046 -13.5175   15.676   6.0445   2.9574   6.0940   2.9689 -0.4951668E-01 4.190563 
1 1 1   26   22    7 o   8.1441   3.4415   10.958   12.945  -6.8490   22.210   20.119   15.931   7.4125   3.5935   9.5768   3.9114 -2.164250 5.311496 
1 1 1   27    0  -44 o   29.244   5.3720  138.600   37.995  138.600   37.995  138.600   37.995   29.244   5.3720   29.244   5.3720 0.000000 0.000000 
1 1 1   27    0  -43 o   7.0501   4.4077   5.9036   17.138   5.9036   17.138   5.9036   17.138   7.0501   4.4077   7.0501   4.4077 0.000000 0.000000 
1 1 1   27    0  -42 o   42.204   2.1712  245.071   24.464  245.071   24.464  245.071   24.464   42.204   2.1712   42.204   2.1712 0.000000 0.000000 
1 1 1   27    0  -41 o   8.8884   4.3986   16.555   12.634   16.555   12.634   16.555   12.634   8.8884   4.3986   8.8884   4.3986 0.000000 0.000000 
1 1 1   27    0  -40 o   9.6514   4.4423   19.101   12.638   19.101   12.638   19.101   12.638   9.6514   4.4423   9.6514   4.4423 0.000000 0.000000 
1 1 1   27    0  -39 o   7.6344   4.1961   11.626   12.418   11.626   12.418   11.626   12.418   7.6344   4.1961   7.6344   4.1961 0.000000 0.000000 
1 1 1   27    0  -38 o   12.234   4.1685   26.801   12.286   26.801   12.286   26.801   12.286   12.234   4.1685   12.234   4.1685 0.000000 0.000000 
1 1 1   27    0  -37 o   5.5326   3.7422  -6.8694   16.369  -6.8694   16.369  -6.8694   16.369   5.5326   3.7422   5.5326   3.7422 0.000000 0.000000 
1 1 1   27    0  -36 o   39.246   1.6141  209.252   16.949  209.252   16.949  209.252   16.949   39.246   1.6141   39.246   1.6141 0.000000 0.000000 
1 1 1   27    0  -35 o   18.893   2.7245   51.595   12.990   51.595   12.990   51.595   12.990   18.893   2.7245   18.893   2.7245 0.000000 0.000000 
1 1 1   27    0  -34 o   27.496   1.8705  103.718   13.667  103.718   13.667  103.718   13.667   27.496   1.8705   27.496   1.8705 0.000000 0.000000 
1 1 1   27    0  -33 o   20.439   3.4715   61.912   17.407   61.912   17.407   61.912   17.407   20.439   3.4715   20.439   3.4715 0.000000 0.000000 
1 1 1   27    0  -32 o   20.332   2.3269   58.199   12.276   58.199   12.276   58.199   12.276   20.332   2.3269   20.332   2.3269 0.000000 0.000000 
1 1 1   27    0  -31 o   5.9364   3.6482   4.0809   11.256   4.0809   11.256   4.0809   11.256   5.9364   3.6482   5.9364   3.6482 0.000000 0.000000 
1 1 1   27    0  -30 o   5.5072   3.4462   2.5293   10.500   2.5293   10.500   2.5293   10.500   5.5072   3.4462   5.5072   3.4462 0.000000 0.000000 
1 1 1   27    0  -29 o   35.067   1.5628  166.735   14.653  166.735   14.653  166.735   14.653   35.067   1.5628   35.067   1.5628 0.000000 0.000000 
1 1 1   27    0  -28 o   20.685   2.1677   59.700   11.740   59.700   11.740   59.700   11.740   20.685   2.1677   20.685   2.1677 0.000000 0.000000 
1 1 1   27    0  -27 o   33.897   1.6179  155.905   14.653  155.905   14.653  155.905   14.653   33.897   1.6179   33.897   1.6179 0.000000 0.000000 
1 1 1   27    0  -26 o   9.7785   4.1194   18.443   10.907   18.443   10.907   18.443   10.907   9.7785   4.1194   9.7785   4.1194 0.000000 0.000000 
1 1 1   27    0  -25 o   38.141   2.1607  198.354   21.973  198.354   21.973  198.354   21.973   38.141   2.1607   38.141   2.1607 0.000000 0.000000 
1 1 1   27    0  -24 o   27.501   1.7133  103.094   12.543  103.094   12.543  103.094   12.543   27.501   1.7133   27.501   1.7133 0.000000 0.000000 
1 1 1   27    0  -23 o   34.429   1.5603  160.598   14.361  160.598   14.361  160.598   14.361   34.429   1.5603   34.429   1.5603 0.000000 0.000000 
1 1 1   27    0  -22 o   31.219   1.6335  132.318   13.611  132.318   13.611  132.318   13.611   31.219   1.6335   31.219   1.6335 0.000000 0.000000 
1 1 1   27    0  -21 o   80.124   1.5056  864.983   32.376  864.983   32.376  864.983   32.376   80.124   1.5056   80.124   1.5056 0.000000 0.000000 
1 1 1   27    0  -20 o   5.9468   3.8222   0.4751   13.957   0.4751   13.957   0.4751   13.957   5.9468   3.8222   5.9468   3.8222 0.000000 0.000000 
1 1 1   27    0  -19 f   29.708   1.5965  119.800   12.655  119.800   12.655  119.800   12.655   29.708   1.5965   29.708   1.5965 0.000000 0.000000 
1 1 1   27    0  -18 o   6.1451   3.5885   6.1157   9.8513   6.1157   9.8513   6.1157   9.8513   6.1451   3.5885   6.1451   3.5885 0.000000 0.000000 
1 1 1   27    0  -17 o   35.798   1.4636  173.235   14.019  173.235   14.019  173.235   14.019   35.798   1.4636   35.798   1.4636 0.000000 0.000000 
1 1 1   27    0  -16 o   51.067   1.3464  351.382   18.438  351.382   18.438  351.382   18.438   51.067   1.3464   51.067   1.3464 0.000000 0.000000 
1 1 1   27    0  -15 o   50.382   1.3377  342.007   18.073  342.007   18.073  342.007   18.073   50.382   1.3377   50.382   1.3377 0.000000 0.000000 
1 1 1   27    0  -14 o   57.658   1.3399  447.676   20.725  447.676   20.725  447.676   20.725   57.658   1.3399   57.658   1.3399 0.000000 0.000000 
1 1 1   27    0  -13 o   7.0655   3.7723   9.6862   9.7544   9.6862   9.7544   9.6862   9.7544   7.0655   3.7723   7.0655   3.7723 0.000000 0.000000 
1 1 1   27    0  -12 o   40.744   1.0854  223.557   11.859  223.557   11.859  223.557   11.859   40.744   1.0854   40.744   1.0854 0.000000 0.000000 
1 1 1   27    0  -11 o   6.5572   3.6685   7.8447   9.6832   7.8447   9.6832   7.8447   9.6832   6.5572   3.6685   6.5572   3.6685 0.000000 0.000000 
1 1 1   27    0  -10 o   31.066   1.0626  130.137   8.8429  130.137   8.8429  130.137   8.8429   31.066   1.0626   31.066   1.0626 0.000000 0.000000 
1 1 1   27    0   -9 o   92.478   1.3782  1150.38   34.215  1150.38   34.215  1150.38   34.215   92.478   1.3782   92.478   1.3782 0.000000 0.000000 
1 1 1   27    0   -8 o   64.918   1.0772  566.757   18.771  566.757   18.771  566.757   18.771   64.918   1.0772   64.918   1.0772 0.000000 0.000000 
1 1 1   27    0   -7 o   6.0507   3.1644   7.1662   6.7524   7.1662   6.7524   7.1662   6.7524   6.0507   3.1644   6.0507   3.1644 0.000000 0.000000 
1 1 1   27    0   -6 o   39.445   1.2826  209.778   13.556  209.778   13.556  209.778   13.556   39.445   1.2826   39.445   1.2826 0.000000 0.000000 
1 1 1   27    0   -5 o   27.441   1.4532  102.071   10.642  102.071   10.642  102.071   10.642   27.441   1.4532   27.441   1.4532 0.000000 0.000000 
1 1 1   27    0   -4 o   12.336   2.6806   23.156   7.7845   23.156   7.7845   23.156   7.7845   12.336   2.6806   12.336   2.6806 0.000000 0.000000 
1 1 1   27    0   -3 o   65.320   1.0797  573.762   18.931  573.762   18.931  573.762   18.931   65.320   1.0797   65.320   1.0797 0.000000 0.000000 
1 1 1   27    0   -2 f  100.250   1.3160  1351.41   35.421  1351.41   35.421  1351.41   35.421  100.250   1.3160  100.250   1.3160 0.000000 0.000000 
1 1 1   27    0   -1 o   8.5888   3.2150   13.377   6.9188   13.377   6.9188   13.377   6.9188   8.5888   3.2150   8.5888   3.2150 0.000000 0.000000 
1 1 1   27    0    0 o   5.3446   3.0389   4.9906   6.7895   4.9906   6.7895   4.9906   6.7895   5.3446   3.0389   5.3446   3.0389 0.000000 0.000000 
1 1 1   27    0    1 o   73.953   1.2397  735.592   24.609  735.592   24.609  735.592   24.609   73.953   1.2397   73.953   1.2397 0.000000 0.000000 
1 1 1   27    0    2 f  116.453   1.4587  1823.81   45.610  1823.81   45.610  1823.81   45.610  116.453   1.4587  116.453   1.4587 0.000000 0.000000 
1 1 1   27    0    3 o   18.595   1.6468   47.576   8.0767   47.576   8.0767   47.576   8.0767   18.595   1.6468   18.595   1.6468 0.000000 0.000000 
1 1 1   27    0    4 o  138.374   1.6644  2575.71   61.839  2575.71   61.839  2575.71   61.839  138.374   1.6644  138.374   1.6644 0.000000 0.000000 
1 1 1   27    0    5 o   26.657   1.4372   96.351   10.222   96.351   10.222   96.351   10.222   26.657   1.4372   26.657   1.4372 0.000000 0.000000 
1 1 1   27    0    6 o   75.696   1.2439  770.670   25.275  770.670   25.275  770.670   25.275   75.696   1.2439   75.696   1.2439 0.000000 0.000000 
1 1 1   27    0    7 o   19.860   1.6905   54.181   8.8670   54.181   8.8670   54.181   8.8670   19.860   1.6905   19.860   1.6905 0.000000 0.000000 
1 1 1   27    0    8 o   26.753   1.3536   96.939   9.6699   96.939   9.6699   96.939   9.6699   26.753   1.3536   26.753   1.3536 0.000000 0.000000 
1 1 1   27    0    9 o   14.471   2.2769   30.197   8.1954   30.197   8.1954   30.197   8.1954   14.471   2.2769   14.471   2.2769 0.000000 0.000000 
1 1 1   27    0   10 o   23.916   1.4769   77.775   9.4042   77.775   9.4042   77.775   9.4042   23.916   1.4769   23.916   1.4769 0.000000 0.000000 
1 1 1   27    0   11 o   93.825   1.3971  1184.24   35.191  1184.24   35.191  1184.24   35.191   93.825   1.3971   93.825   1.3971 0.000000 0.000000 
1 1 1   27    0   12 o   8.8618   3.4403   14.482   7.7955   14.482   7.7955   14.482   7.7955   8.8618   3.4403   8.8618   3.4403 0.000000 0.000000 
1 1 1   27    0   13 o   56.030   1.1696  422.490   17.585  422.490   17.585  422.490   17.585   56.030   1.1696   56.030   1.1696 0.000000 0.000000 
1 1 1   27    0   14 o   20.266   1.9550   56.807   10.414   56.807   10.414   56.807   10.414   20.266   1.9550   20.266   1.9550 0.000000 0.000000 
1 1 1   27    0   15 o   32.730   1.2810  144.673   11.222  144.673   11.222  144.673   11.222   32.730   1.2810   32.730   1.2810 0.000000 0.000000 
1 1 1   27    0   16 o   64.868   1.2023  566.250   20.932  566.250   20.932  566.250   20.932   64.868   1.2023   64.868   1.2023 0.000000 0.000000 
1 1 1   27    0   17 o   27.317   1.4342  101.193   10.457  101.193   10.457  101.193   10.457   27.317   1.4342   27.317   1.4342 0.000000 0.000000 
1 1 1   27    0   18 o   71.650   1.2377  690.899   23.803  690.899   23.803  690.899   23.803   71.650   1.2377   71.650   1.2377 0.000000 0.000000 
1 1 1   27    0   19 f   7.2248   3.5634   10.417   8.2803   10.417   8.2803   10.417   8.2803   7.2248   3.5634   7.2248   3.5634 0.000000 0.000000 
1 1 1   27    0   20 o   72.930   1.1692  715.738   22.889  715.738   22.889  715.738   22.889   72.930   1.1692   72.930   1.1692 0.000000 0.000000 
1 1 1   27    0   21 o  118.788   1.5058  1900.10   48.026  1900.10   48.026  1900.10   48.026  118.788   1.5058  118.788   1.5058 0.000000 0.000000 
1 1 1   27    0   22 o   6.1021   3.3567   7.0295   7.9546   7.0295   7.9546   7.0295   7.9546   6.1021   3.3567   6.1021   3.3567 0.000000 0.000000 
1 1 1   27    0   23 o   21.321   1.6024   62.248   9.0575   62.248   9.0575   62.248   9.0575   21.321   1.6024   21.321   1.6024 0.000000 0.000000 
1 1 1   27    0   24 o   5.9873   3.3495   6.6063   8.0717   6.6063   8.0717   6.6063   8.0717   5.9873   3.3495   5.9873   3.3495 0.000000 0.000000 
1 1 1   27    0   25 o   30.636   1.3126  127.009   10.756  127.009   10.756  127.009   10.756   30.636   1.3126   30.636   1.3126 0.000000 0.000000 
1 1 1   27    0   26 o   14.979   2.8319   33.424   10.206   33.424   10.206   33.424   10.206   14.979   2.8319   14.979   2.8319 0.000000 0.000000 
1 1 1   27    0   27 o   20.752   1.9336   59.612   10.562   59.612   10.562   59.612   10.562   20.752   1.9336   20.752   1.9336 0.000000 0.000000 
1 1 1   27    0   28 o   73.462   1.3277  727.290   26.177  727.290   26.177  727.290   26.177   73.462   1.3277   73.462   1.3277 0.000000 0.000000 
1 1 1   27    0   29 o   18.474   2.1941   48.057   10.482   48.057   10.482   48.057   10.482   18.474   2.1941   18.474   2.1941 0.000000 0.000000 
1 1 1   27    0   30 o   32.960   1.3182  147.002   11.627  147.002   11.627  147.002   11.627   32.960   1.3182   32.960   1.3182 0.000000 0.000000 
1 1 1   27    0   31 o   16.794   2.2463   40.166   9.6238   40.166   9.6238   40.166   9.6238   16.794   2.2463   16.794   2.2463 0.000000 0.000000 
1 1 1   27    0   32 o   3.2004   2.3143 -19.8905   10.419 -19.8905   10.419 -19.8905   10.419   3.2004   2.3143   3.2004   2.3143 0.000000 0.000000 
1 1 1   27    0   33 o   44.224   1.3811  264.466   16.369  264.466   16.369  264.466   16.369   44.224   1.3811   44.224   1.3811 0.000000 0.000000 
1 1 1   27    0   34 o   15.791   2.9130   37.229   11.116   37.229   11.116   37.229   11.116   15.791   2.9130   15.791   2.9130 0.000000 0.000000 
1 1 1   27    0   35 o   15.642   2.9742   36.769   11.182   36.769   11.182   36.769   11.182   15.642   2.9742   15.642   2.9742 0.000000 0.000000 
1 1 1   27    0   36 o   45.652   1.2296  281.556   15.053  281.556   15.053  281.556   15.053   45.652   1.2296   45.652   1.2296 0.000000 0.000000 
1 1 1   27    0   37 o   58.706   1.2122  465.214   19.095  465.214   19.095  465.214   19.095   58.706   1.2122   58.706   1.2122 0.000000 0.000000 
1 1 1   27    0   38 o   44.412   1.3193  266.833   15.706  266.833   15.706  266.833   15.706   44.412   1.3193   44.412   1.3193 0.000000 0.000000 
1 1 1   27    0   39 o   19.753   1.9702   54.490   10.214   54.490   10.214   54.490   10.214   19.753   1.9702   19.753   1.9702 0.000000 0.000000 
1 1 1   27    0   40 o   26.892   1.6329   98.944   11.695   98.944   11.695   98.944   11.695   26.892   1.6329   26.892   1.6329 0.000000 0.000000 
1 1 1   27    0   41 o   30.663   1.7142  128.618   14.017  128.618   14.017  128.618   14.017   30.663   1.7142   30.663   1.7142 0.000000 0.000000 
1 1 1   27    0   42 o   23.451   2.1178   76.788   13.090   76.788   13.090   76.788   13.090   23.451   2.1178   23.451   2.1178 0.000000 0.000000 
1 1 1   27    0   43 o   27.273   2.0200  103.145   14.610  103.145   14.610  103.145   14.610   27.273   2.0200   27.273   2.0200 0.000000 0.000000 
1 1 1   27    0   44 o   3.8101   2.7016 -14.1615   11.586 -14.1615   11.586 -14.1615   11.586   3.8101   2.7016   3.8101   2.7016 0.000000 0.000000 
1 1 1   27    0   45 o   4.5221   3.0940  -6.3306   11.886  -6.3306   11.886  -6.3306   11.886   4.5221   3.0940   4.5221   3.0940 0.000000 0.000000 
1 1 1   27    0   46 o   39.666   1.9221  217.781   20.369  217.781   20.369  217.781   20.369   39.666   1.9221   39.666   1.9221 0.000000 0.000000 
1 1 1   27    0   47 o   6.5769   3.9367   8.0703   12.395   8.0703   12.395   8.0703   12.395   6.5769   3.9367   6.5769   3.9367 0.000000 0.000000 
1 1 1   27    0   48 o   39.704   1.7994  218.900   19.099  218.900   19.099  218.900   19.099   39.704   1.7994   39.704   1.7994 0.000000 0.000000 
1 1 1   27    0   49 o   20.256   3.1195   63.531   15.775   63.531   15.775   63.531   15.775   20.256   3.1195   20.256   3.1195 0.000000 0.000000 
1 1 1   27    1  -43 o   26.319   2.0462   96.370   14.351  107.502   20.842   86.333   19.790   27.359   2.8795   24.371   3.0929 2.988335 4.225805 
1 1 1   27    1  -42 o   35.368   1.7367  171.221   16.498  173.545   23.289  168.879   23.375   35.187   2.4801   34.681   2.5267 0.5057259 3.540536 
1 1 1   27    1  -41 o   9.0461   3.4809   8.6587   11.920   4.2078   16.436   13.597   17.313   9.2797   3.8972   10.906   4.1955 -1.625826 5.726300 
1 1 1   27    1  -40 f   6.5512   2.7770   0.8187   8.4709   2.1116   11.891  -0.5135   12.071   7.8541   3.3075   7.4929   3.2474 0.3611379 4.635210 
1 1 1   27    1  -39 o   12.870   2.7119   23.861   9.0786   21.427   12.538   26.545   13.163   12.116   3.5941   13.395   3.5870 -1.279159 5.077817 
1 1 1   27    1  -38 o   28.441   1.3628  109.609   10.410  106.904   14.527  112.464   14.926   27.893   1.9514   28.611   1.9539 -0.7186394 2.761472 
1 1 1   27    1  -37 o   23.322   1.5408   74.193   9.5976   60.846   13.319   88.612   13.843   20.865   2.4215   25.354   2.0503 -4.488686 3.172947 
1 1 1   27    1  -36 o   22.557   2.2591   70.634   13.503   72.936   19.195   68.379   19.000   22.544   3.2651   21.777   3.3561 0.7662373 4.682332 
1 1 1   27    1  -35 o   22.008   1.6317   66.200   9.5768   67.948   13.523   64.442   13.565   22.109   2.3114   21.500   2.3893 0.6090794 3.324367 
1 1 1   27    1  -34 o   33.041   1.1953  147.555   10.608  153.620   15.153  141.726   14.854   33.609   1.6787   32.227   1.7223 1.381882 2.405049 
1 1 1   27    1  -33 o   15.045   2.3096   31.758   9.0346   3.3012   12.610   61.777   12.951   8.2967   3.4434   21.085   2.3255 -12.78851 4.155110 
1 1 1   27    1  -32 o   23.163   2.0858   73.884   12.837   79.154   17.928   68.339   18.391   23.729   2.8713   21.898   3.2232 1.830965 4.316664 
1 1 1   27    1  -31 o   39.367   1.0948  209.071   11.576  207.940   16.201  210.251   16.545   39.174   1.5398   39.385   1.5640 -0.2115288 2.194771 
1 1 1   27    1  -30 o   22.489   1.4846   68.742   8.9169   72.374   12.633   65.135   12.588   22.951   2.0716   21.735   2.1859 1.215715 3.011626 
1 1 1   27    1  -29 o   12.161   2.5322   21.006   8.0021   28.540   11.628   14.227   11.029   14.083   3.1526   10.300   3.4171 3.782372 4.649209 
1 1 1   27    1  -28 o   23.011   1.4118   71.827   8.6833   64.371   12.294   79.249   12.266   21.634   2.1440   24.079   1.9123 -2.444950 2.872941 
1 1 1   27    1  -27 o   14.209   2.1358   28.074   7.8992   25.321   11.067   30.934   11.278   13.276   3.1509   14.737   2.9522 -1.461387 4.317846 
1 1 1   27    1  -26 o   54.624   0.9903  401.855   14.529  414.233   20.838  390.145   20.268   55.380   1.4009   53.745   1.4040 1.634972 1.983379 
1 1 1   27    1  -25 o   12.663   2.3524   22.540   7.7061   28.461   10.817   16.440   10.981   14.137   2.9445   10.896   3.3905 3.240486 4.490658 
1 1 1   27    1  -24 o   36.061   1.5620  175.800   15.129  179.060   21.449  172.572   21.343   36.208   2.2161   35.535   2.2478 0.6728630 3.156530 
1 1 1   27    1  -23 o   39.499   1.0330  210.117   10.960  217.079   15.760  203.597   15.251   40.092   1.4635   38.827   1.4625 1.264717 2.068995 
1 1 1   27    1  -22 o   69.290   1.0022  646.397   18.652  652.578   26.500  640.328   26.258   69.532   1.4190   68.876   1.4194 0.6558456 2.007025 
1 1 1   27    1  -21 o   32.664   1.0993  143.700   9.6443  150.529   13.599  136.790   13.679   33.387   1.5165   31.776   1.6080 1.610888 2.210323 
1 1 1   27    1  -20 o   29.291   1.1699  115.587   9.2044  113.992   13.033  117.174   13.001   28.993   1.6809   29.400   1.6531 -0.4076328 2.357562 
1 1 1   27    1  -19 o   46.716   1.3705  294.282   17.196  263.615   23.866  327.390   24.797   44.110   2.0144   49.185   1.8771 -5.075386 2.753412 
1 1 1   27    1  -18 o   52.669   1.1839  373.622   16.748  390.711   27.092  363.052   21.306   53.743   1.8769   51.869   1.5294 1.874031 2.421083 
1 1 1   27    1  -17 o   40.107   0.9905  216.441   10.670  211.277   14.864  221.930   15.325   39.588   1.3979   40.573   1.4063 -0.9849281 1.982904 
1 1 1   27    1  -16 o   57.231   0.9592  440.619   14.745  444.135   20.869  437.115   20.835   57.411   1.3534   56.954   1.3620 0.4567528 1.920084 
1 1 1   27    1  -15 o   36.091   1.0242  175.252   9.9280  180.051   13.997  170.393   14.084   36.551   1.4257   35.553   1.4749 0.9981995 2.051372 
1 1 1   27    1  -14 o   11.615   2.3940   18.950   7.2201   4.4151   10.147   33.856   10.276   7.9251   3.1626   15.600   2.5399 -7.674686 4.056221 
1 1 1   27    1  -13 o   69.032   0.9797  640.951   18.165  632.887   25.617  649.107   25.763   68.544   1.3914   69.418   1.3818 -0.8742676 1.960958 
1 1 1   27    1  -12 o   19.691   0.8669   52.131   4.5847   51.437   5.9194   53.172   7.2480   19.519   1.1340   19.823   1.3697 -0.3041496 1.778208 
1 1 1   27    1  -11 o   31.206   0.7328  130.881   6.1425  130.918   8.7307  130.845   8.6435   31.198   1.0419   31.190   1.0318 0.8228302E-02 1.466343 
1 1 1   27    1  -10 o   30.856   1.0226  128.050   8.4751  128.724   11.975  127.373   11.996   30.915   1.4422   30.751   1.4524 0.1633873 2.046792 
1 1 1   27    1   -9 o   41.019   0.7749  226.149   8.5375  221.834   11.363  231.743   12.937   40.613   1.0417   41.502   1.1606 -0.8896942 1.559519 
1 1 1   27    1   -8 o   14.443   1.3124   28.308   5.0354   29.367   7.3489   27.370   6.9133   14.629   1.9164   14.122   1.8685 0.5069962 2.676562 
1 1 1   27    1   -7 o   18.720   1.1195   47.308   5.6032   44.419   8.0110   50.075   7.8401   18.078   1.6687   19.220   1.5314 -1.142054 2.264904 
1 1 1   27    1   -6 o   22.734   1.1229   69.518   6.8565   51.404   9.7000   87.607   9.6932   19.431   1.8822   25.469   1.4227 -6.038057 2.359412 
1 1 1   27    1   -5 o   76.680   0.8410  790.342   17.320  781.964   25.510  797.507   23.591   76.232   1.2459   76.998   1.1407 -0.7660294 1.689218 
1 1 1   27    1   -4 o   13.069   1.7952   23.455   6.1350   17.502   8.7065   29.325   8.6461   11.151   2.8850   14.558   2.2866 -3.406337 3.681260 
1 1 1   27    1   -3 o   49.419   0.8043  328.246   10.675  330.276   15.245  326.294   14.953   49.552   1.1455   49.253   1.1304 0.2985077 1.609301 
1 1 1   27    1   -2 o   74.432   0.9202  744.792   18.397  746.060   24.802  743.242   27.432   74.464   1.2401   74.308   1.3744 0.1567001 1.851178 
1 1 1   27    1   -1 o   52.717   0.7723  373.489   10.935  366.631   14.698  381.991   16.365   52.215   1.0481   53.291   1.1433 -1.075771 1.550984 
1 1 1   27    1    0 o   19.647   1.1334   52.094   5.9559   42.726   7.9428   64.127   9.0021   17.726   1.6887   21.766   1.5500 -4.039150 2.292177 
1 1 1   27    1    1 o   76.366   0.9406  784.032   19.294  786.295   25.791  781.157   29.073   76.444   1.2561   76.174   1.4210 0.2705383 1.896621 
1 1 1   27    1    2 o   26.438   0.8980   93.960   6.3766  105.491   9.1393   83.023   8.9011   28.002   1.2152   24.801   1.3412 3.201155 1.809846 
1 1 1   27    1    3 o  116.678   1.0345  1830.67   32.419  1820.22   45.714  1841.25   45.981  116.268   1.4639  116.937   1.4640 -0.6696396 2.070296 
1 1 1   27    1    4 o   50.219   0.7415  338.923   10.002  331.627   14.003  346.523   14.292   49.659   1.0499   50.762   1.0482 -1.103119 1.483580 
1 1 1   27    1    5 o   27.343   0.9037  100.505   6.6364  112.736   9.4642   88.673   9.3084   28.947   1.2173   25.631   1.3570 3.315922 1.822960 
1 1 1   27    1    6 o   65.074   0.8352  569.203   14.598  576.750   20.777  561.845   20.515   65.475   1.1814   64.623   1.1819 0.8516617 1.671161 
1 1 1   27    1    7 o   95.840   0.9122  1234.89   23.483  1233.23   33.165  1236.55   33.255   95.724   1.2899   95.852   1.2917 -0.1282654 1.825475 
1 1 1   27    1    8 o   80.463   0.8342  870.281   18.029  883.238   25.593  857.516   25.402   81.023   1.1760   79.833   1.1846 1.189560 1.669251 
1 1 1   27    1    9 o   38.355   0.7881  197.729   8.1185  204.301   11.567  191.349   11.397   38.971   1.1051   37.714   1.1251 1.256645 1.577065 
1 1 1   27    1   10 o   50.908   0.7797  348.344   10.661  348.446   14.552  348.224   15.664   50.897   1.0645   50.874   1.1463 0.2266693E-01 1.564332 
1 1 1   27    1   11 o   40.406   0.8060  219.469   8.7469  212.543   11.854  227.750   12.961   39.747   1.1103   41.140   1.1729 -1.393044 1.615111 
1 1 1   27    1   12 o   55.375   0.7932  412.202   11.798  399.054   15.909  428.271   17.587   54.462   1.0876   56.414   1.1607 -1.951538 1.590617 
1 1 1   27    1   13 o   39.970   0.8257  214.783   8.8643  219.436   12.229  209.631   12.867   40.382   1.1275   39.463   1.2140 0.9187965 1.656781 
1 1 1   27    1   14 o   34.567   0.9659  160.714   8.9678  153.200   12.063  169.998   13.408   33.726   1.3317   35.521   1.4054 -1.795025 1.936112 
1 1 1   27    1   15 o   22.762   1.0681   69.720   6.5304   75.300   8.9617   63.404   9.5356   23.595   1.4207   21.614   1.6551 1.981070 2.181258 
1 1 1   27    1   16 o   29.306   0.9345  115.529   7.3560  122.217   10.123  108.046   10.708   30.124   1.2511   28.312   1.4081 1.811140 1.883631 
1 1 1   27    1   17 o   75.068   0.8566  757.878   17.272  747.527   23.330  770.433   25.693   74.508   1.1658   75.624   1.2649 -1.115150 1.720221 
1 1 1   27    1   18 o   56.355   0.8660  427.172   13.109  428.066   17.829  426.118   19.340   56.377   1.1774   56.234   1.2804 0.1431313 1.739521 
1 1 1   27    1   19 o   47.224   0.8188  299.935   10.385  311.545   14.385  287.298   15.008   48.100   1.1135   46.179   1.2100 1.920937 1.644389 
1 1 1   27    1   20 o   49.271   0.8022  326.500   10.616  325.171   14.943  327.854   15.085   49.134   1.1323   49.336   1.1384 -0.2015228 1.605604 
1 1 1   27    1   21 o   42.235   0.8591  239.984   9.7458  249.878   13.061  227.554   14.639   43.069   1.1291   41.076   1.3268 1.992916 1.742225 
1 1 1   27    1   22 o   28.512   1.0016  109.452   7.6703  103.284   10.141  117.697   11.725   27.667   1.3647   29.485   1.4853 -1.818026 2.017061 
1 1 1   27    1   23 o   17.896   1.4157   43.503   6.7494   44.013   8.9864   42.843   10.223   17.922   1.8957   17.616   2.2092 0.3056850 2.911053 
1 1 1   27    1   24 o   48.211   0.8478  312.759   10.978  304.521   14.523  323.740   16.767   47.535   1.1375   48.990   1.2743 -1.455154 1.708119 
1 1 1   27    1   25 o   38.125   0.9518  195.702   9.7468  206.770   13.722  184.433   13.847   39.145   1.3052   36.957   1.3949 2.187263 1.910307 
1 1 1   27    1   26 o   29.994   1.0260  121.186   8.2652  123.153   10.924  118.553   12.641   30.203   1.3466   29.559   1.5981 0.6433506 2.089800 
1 1 1   27    1   27 o   44.047   0.9259  261.231   10.954  251.869   15.289  271.105   15.702   43.193   1.3179   44.814   1.3045 -1.621483 1.854342 
1 1 1   27    1   28 o   46.789   0.9308  294.812   11.697  290.194   16.359  299.644   16.732   46.358   1.3138   47.105   1.3225 -0.7470207 1.864161 
1 1 1   27    1   29 o   10.145   2.7384   14.646   7.6354   12.110   10.306   17.730   11.368   9.6638   3.3036   11.231   3.4425 -1.567088 4.771246 
1 1 1   27    1   30 o   5.6174   2.3742   0.4611   6.1624  -7.0237   8.6236   8.2714   8.8092   5.4010   2.5023   8.3931   3.0383 -2.992128 3.936069 
1 1 1   27    1   31 o   12.804   1.9769   22.841   6.5799   12.834   9.0768   33.924   9.5520   9.6734   3.0923   15.566   2.3585 -5.892836 3.889113 
1 1 1   27    1   32 o   26.704   1.1550   96.285   8.2842   82.614   11.136  113.224   12.396   24.603   1.6956   28.842   1.6065 -4.239084 2.335790 
1 1 1   27    1   33 o   7.6669   2.7063   7.2288   6.9433   7.2006   10.672   7.2495   9.1431   8.5382   3.2914   8.1856   3.0719 0.3525867 4.502162 
1 1 1   27    1   34 o   17.018   1.7732   39.850   7.9859   22.534   12.769   50.975   10.235   12.437   3.6099   19.209   2.0136 -6.771559 4.133545 
1 1 1   27    1   35 o   24.237   1.3179   79.755   8.5472   71.852   12.124   87.563   12.051   22.838   1.9966   25.287   1.7858 -2.449903 2.678737 
1 1 1   27    1   36 o   20.757   1.3197   58.570   7.3192   48.063   10.191   69.763   10.518   18.621   2.0729   22.564   1.7493 -3.942701 2.712320 
1 1 1   27    1   37 o   56.767   0.8574  434.298   13.072  439.126   18.563  429.548   18.413   56.981   1.2129   56.355   1.2164 0.6260109 1.717775 
1 1 1   27    1   38 o   43.510   0.9038  255.246   10.562  260.290   14.897  250.148   14.976   43.855   1.2647   42.983   1.2972 0.8714752 1.811699 
1 1 1   27    1   39 o   28.697   1.1565  111.337   8.9141  104.551   13.222  116.990   12.069   27.625   1.7917   29.302   1.5389 -1.677517 2.361877 
1 1 1   27    1   40 f   21.729   1.4215   64.352   8.2502   61.137   11.944   67.285   11.409   20.979   2.1501   22.083   1.9434 -1.104031 2.898190 
1 1 1   27    1   41 o   30.089   1.0979  122.428   8.8727  130.563   12.684  114.634   12.416   30.974   1.5247   28.961   1.6023 2.012802 2.211846 
1 1 1   27    1   42 o   12.008   2.7139   21.008   8.5469   15.402   11.743   27.323   12.463   10.489   3.5267   13.514   3.4283 -3.024987 4.918456 
1 1 1   27    1   43 o   15.429   2.3525   33.908   9.4406   46.849   12.512   16.805   14.385   18.058   2.6594   11.001   3.8940 7.056599 4.715432 
1 1 1   27    1   44 o   19.650   1.9611   53.977   10.212   58.825   13.028   46.252   16.446   20.313   2.4366   17.377   3.6402 2.935795 4.380401 
1 1 1   27    1   45 o   8.2556   3.0750   8.3442   9.1281   16.141   12.515  -0.5181   13.343   10.534   3.6388   7.6720   3.3678 2.861538 4.958124 
1 1 1   27    1   46 o   9.3690   3.0548   12.870   8.8290   18.520   12.503   7.2501   12.469   11.002   3.6376   8.6265   3.4835 2.375841 5.036568 
1 1 1   27    1   47 f   25.484   1.7246   90.710   11.735   78.019   16.476  103.778   16.719   22.982   2.7221   26.843   2.3425 -3.861210 3.591234 
1 1 1   27    1   48 o   26.796   1.4422   99.414   10.341   86.425   14.559  112.640   14.692   24.466   2.2405   28.183   1.9529 -3.716915 2.972132 
1 1 1   27    2  -42 o   29.952   1.8416  123.884   14.744  120.624   20.549  127.344   21.168   29.129   2.6555   29.932   2.6607 -0.8024807 3.759185 
1 1 1   27    2  -41 o   10.762   3.6386   16.269   12.500   19.934   17.619   12.554   17.738   11.998   4.3029   10.734   4.2135 1.263792 6.022277 
1 1 1   27    2  -40 o   23.375   1.8885   75.359   11.755   63.303   14.643   97.207   19.713   21.144   2.6358   26.158   2.8520 -5.013876 3.883460 
1 1 1   27    2  -39 o   9.7761   3.1191   13.392   9.2378   24.078   13.055   2.6758   13.073   12.753   3.6348   8.2618   3.4731 4.491314 5.027278 
1 1 1   27    2  -38 o   13.469   2.6302   26.014   9.1740   20.560   12.784   31.805   13.173   11.902   3.6510   14.689   3.4052 -2.787005 4.992511 
1 1 1   27    2  -37 o   41.630   1.1317  234.223   12.654  238.410   18.088  230.208   17.710   41.865   1.6086   41.140   1.6027 0.7244949 2.270740 
1 1 1   27    2  -36 o   20.626   1.7317   58.369   9.5046   62.317   12.928   53.725   14.022   21.148   2.3138   19.468   2.7587 1.679289 3.600517 
1 1 1   27    2  -35 o   34.255   1.7833  160.440   16.351  178.588   23.615  143.727   22.662   35.861   2.4667   32.069   2.6548 3.791721 3.623909 
1 1 1   27    2  -34 o   8.5191   3.0103   9.0875   8.5930  -0.4698   12.064   18.930   12.243   7.5193   3.2527   11.499   3.5805 -3.979249 4.837307 
1 1 1   27    2  -33 f   21.255   1.6190   61.748   9.1730   56.359   12.892   67.274   13.055   20.076   2.4412   22.022   2.2382 -1.946714 3.311892 
1 1 1   27    2  -32 o   19.932   1.7287   54.447   9.1630   60.092   12.831   48.573   13.089   20.781   2.3395   18.544   2.7078 2.237211 3.578492 
1 1 1   27    2  -31 o   60.356   1.4403  493.477   23.349  539.143   33.900  452.258   32.207   62.831   2.0088   57.509   2.0851 5.322033 2.895282 
1 1 1   27    2  -30 o   26.482   1.3568   95.108   9.6182   83.482   13.310  107.812   13.914   24.655   2.0280   28.086   1.8549 -3.430927 2.748379 
1 1 1   27    2  -29 o   25.084   1.3719   85.339   9.2082   80.402   12.760   90.704   13.302   24.216   1.9791   25.741   1.9382 -1.524343 2.770049 
1 1 1   27    2  -28 o   31.999   1.1727  138.168   10.079  133.071   14.361  143.116   14.149   31.272   1.7163   32.496   1.6211 -1.223896 2.360852 
1 1 1   27    2  -27 o   10.006   2.8242   14.180   7.9216   21.080   11.376   7.6845   11.037   12.117   3.3720   8.7745   3.3560 3.342187 4.757409 
1 1 1   27    2  -26 o   14.035   2.1532   27.432   7.8576   19.038   10.901   36.509   11.336   11.563   3.3295   16.095   2.7192 -4.531227 4.298845 
1 1 1   27    2  -25 o   25.259   1.2967   86.343   8.7673   92.692   12.598   80.382   12.208   26.081   1.8096   24.263   1.8882 1.818361 2.615373 
1 1 1   27    2  -24 o   45.926   1.0042  284.089   12.388  271.483   17.367  297.145   17.674   44.825   1.4425   46.903   1.4030 -2.078419 2.012239 
1 1 1   27    2  -23 o   20.893   2.1222   59.962   11.744   55.971   16.496   64.065   16.724   19.901   3.1942   21.379   2.9947 -1.478352 4.378476 
1 1 1   27    2  -22 o   58.479   1.1536  460.944   18.119  491.168   22.621  406.835   30.267   60.314   1.3964   54.721   2.0593 5.593266 2.488077 
1 1 1   27    2  -21 o   64.946   0.9992  567.969   17.431  585.819   24.896  550.806   24.412   65.873   1.4071   63.870   1.4230 2.002697 2.001256 
1 1 1   27    2  -20 o   66.441   0.9977  594.341   17.805  583.189   24.988  605.844   25.377   65.730   1.4154   66.996   1.4103 -1.265739 1.998031 
1 1 1   27    2  -19 o   26.182   1.2461   92.411   8.7628  102.055   12.383   82.736   12.402   27.420   1.6896   24.643   1.8881 2.777199 2.533710 
1 1 1   27    2  -18 o   47.061   1.1222  298.306   14.185  300.607   17.533  293.947   24.135   47.206   1.3828   46.582   1.9291 0.6242561 2.373511 
1 1 1   27    2  -17 o   19.969   2.0727   54.628   10.955   49.614   15.901   59.158   15.114   18.742   3.2780   20.630   2.8001 -1.887428 4.311146 
1 1 1   27    2  -16 o   40.108   1.1427  216.637   12.310  223.083   21.684  213.571   14.953   40.586   1.9892   39.796   1.3990 0.7904587 2.431859 
1 1 1   27    2  -15 o   33.330   1.0573  149.523   9.4646  142.024   13.472  156.830   13.299   32.441   1.5462   34.100   1.4520 -1.658848 2.121099 
1 1 1   27    2  -14 o   37.120   1.0175  185.415   10.144  180.777   14.563  189.786   14.139   36.612   1.4809   37.521   1.4030 -0.9092865 2.039946 
1 1 1   27    2  -13 o   39.540   1.0914  210.418   11.590  209.506   15.160  211.701   17.981   39.423   1.4317   39.599   1.6906 -0.1765289 2.215418 
1 1 1   27    2  -12 o   55.023   0.7856  407.033   11.611  417.732   16.192  395.711   16.657   55.715   1.0820   54.220   1.1438 1.494926 1.574523 
1 1 1   27    2  -11 o   47.143   0.7100  298.722   8.9899  292.112   12.787  305.183   12.642   46.597   1.0216   47.631   0.9882 -1.033779 1.421356 
1 1 1   27    2  -10 f   79.604   0.8945  852.115   19.124  851.514   27.534  852.675   26.582   79.520   1.2892   79.582   1.2436 -0.6168365E-01 1.791235 
1 1 1   27    2   -9 o   53.955   0.7337  391.286   10.633  408.143   15.192  375.100   14.886   55.083   1.0269   52.804   1.0496 2.278740 1.468355 
1 1 1   27    2   -8 o  121.059   1.3117  1973.31   42.650  1970.05   60.284  1976.58   60.347  120.799   1.8580  120.999   1.8569 -0.2003937 2.626821 
1 1 1   27    2   -7 o   70.477   0.7813  667.656   14.789  671.893   20.976  663.469   20.854   70.668   1.1051   70.224   1.1056 0.4444199 1.563252 
1 1 1   27    2   -6 o   20.616   1.1908   57.384   6.5654   62.777   10.133   53.482   8.6197   21.499   1.7704   19.851   1.6311 1.648314 2.407228 
1 1 1   27    2   -5 o   26.722   0.9200   96.014   6.6032   94.525   9.2295   97.576   9.4512   26.498   1.2968   26.922   1.3070 -0.4237232 1.841194 
1 1 1   27    2   -4 o   68.631   0.8065  633.136   14.867  647.959   22.205  621.094   20.015   69.392   1.1914   67.948   1.0967 1.443321 1.619305 
1 1 1   27    2   -3 o   44.799   0.8591  269.809   10.337  283.025   15.767  259.846   13.690   45.855   1.2802   43.946   1.1599 1.908787 1.727490 
1 1 1   27    2   -2 o   63.314   0.7957  538.819   13.531  538.480   20.177  539.096   18.240   63.260   1.1875   63.307   1.0727 -0.4755402E-01 1.600290 
1 1 1   27    2   -1 o   36.316   0.8086  177.273   7.8871  189.103   11.932  168.093   10.511   37.488   1.1850   35.349   1.1071 2.139484 1.621671 
1 1 1   27    2    0 o   81.568   0.9215  894.553   20.188  889.587   28.474  899.573   28.626   81.293   1.3041   81.748   1.3037 -0.4550476 1.844001 
1 1 1   27    2    1 o  119.164   1.1528  1910.52   36.899  1926.35   47.801  1887.18   58.042  119.584   1.4882  118.270   1.8272 1.313919 2.356556 
1 1 1   27    2    2 o   34.188   0.8406  157.117   7.7191  160.240   10.396  153.280   11.524   34.512   1.1215   33.746   1.2715 0.7662773 1.695363 
1 1 1   27    2    3 o   16.676   1.3422   37.682   5.9610   31.248   8.0564   45.467   8.8613   15.075   2.0423   18.267   1.8307 -3.192130 2.742738 
1 1 1   27    2    4 o   34.832   0.8915  163.119   8.3408  159.063   10.632  169.611   13.451   34.383   1.1512   35.488   1.4112 -1.105045 1.821180 
1 1 1   27    2    5 o   18.324   1.4004   45.482   6.8404   53.991   8.6303   31.104   11.219   19.948   1.6249   14.879   2.9115 5.068490 3.334224 
1 1 1   27    2    6 o   36.160   0.8468  175.778   8.2243  172.162   10.866  180.629   12.585   35.771   1.1309   36.631   1.2791 -0.8595009 1.707364 
1 1 1   27    2    7 o   28.333   0.9542  107.957   7.2613  111.409   9.6034  103.350   11.095   28.769   1.2428   27.654   1.4994 1.114841 1.947487 
1 1 1   27    2    8 o   37.512   0.8317  189.170   8.3801  195.834   11.132  180.455   12.731   38.152   1.0863   36.610   1.2947 1.542580 1.690071 
1 1 1   27    2    9 o   44.782   0.8122  269.606   9.7689  277.093   13.152  260.393   14.590   45.382   1.0790   43.981   1.2351 1.401291 1.640020 
1 1 1   27    2   10 f   43.743   0.8189  257.253   9.6217  261.647   12.801  251.546   14.588   44.098   1.0807   43.223   1.2566 0.8740578 1.657417 
1 1 1   27    2   11 o   43.511   0.8460  254.562   9.8873  252.095   12.618  258.485   15.915   43.283   1.0854   43.804   1.3527 -0.5210419 1.734287 
1 1 1   27    2   12 o   65.670   0.8626  579.916   15.215  566.673   19.409  601.028   24.506   64.887   1.1136   66.789   1.3661 -1.901215 1.762482 
1 1 1   27    2   13 o   18.315   1.5902   45.596   7.7450   48.459   9.7004   40.564   12.863   18.832   1.9459   17.017   2.9194 1.814327 3.508487 
1 1 1   27    2   14 o   79.462   0.9253  849.380   19.748  857.917   25.577  836.779   31.075   79.817   1.1931   78.772   1.4687 1.045135 1.892255 
1 1 1   27    2   15 o   40.249   0.8769  217.894   9.4795  220.852   12.279  213.529   14.914   40.500   1.1288   39.796   1.3953 0.7042046 1.794718 
1 1 1   27    2   16 o   59.763   0.8609  480.404   13.819  481.552   17.784  478.653   21.956   59.803   1.1072   59.581   1.3720 0.2219124 1.762976 
1 1 1   27    2   17 o   42.604   0.8589  244.158   9.8283  257.497   13.778  230.338   14.024   43.721   1.1733   41.341   1.2630 2.380032 1.723888 
1 1 1   27    2   18 o   23.825   1.2210   76.699   7.7874   77.294   9.8107   75.685   12.803   23.876   1.5380   23.538   2.0455 0.3376617 2.559238 
1 1 1   27    2   19 o   8.6466   2.5933   10.316   6.5009   21.863   8.2972  -8.0434   10.462   12.438   2.5687   6.0173   2.7766 6.420891 3.782525 
1 1 1   27    2   20 o   27.233   1.0661   99.890   7.7978  107.926   10.128   88.191   12.220   28.284   1.3332   25.459   1.7986 2.825544 2.238813 
1 1 1   27    2   21 o   5.4276   2.3427  -0.6042   6.2302  -0.0293   8.0823  -1.4460   9.7804   6.3105   2.6949   6.6884   2.9109 -0.3779130 3.966843 
1 1 1   27    2   22 o   50.250   0.8446  339.769   11.399  338.578   15.153  341.322   17.301   50.123   1.1256   50.300   1.2806 -0.1768875 1.704916 
1 1 1   27    2   23 o   33.364   0.9586  149.885   8.5908  159.716   11.381  136.865   13.098   34.412   1.2313   31.818   1.5326 2.594265 1.965976 
1 1 1   27    2   24 o   47.568   0.9042  304.596   11.552  313.302   16.192  295.574   16.485   48.190   1.2510   46.796   1.3115 1.393879 1.812505 
1 1 1   27    2   25 o   27.694   1.0121  103.317   7.5285  113.055   10.643   93.564   10.651   28.932   1.3696   26.261   1.5165 2.671457 2.043420 
1 1 1   27    2   26 o   70.753   0.8410  673.791   15.982  662.997   22.369  685.049   22.843   70.106   1.1880   71.261   1.1935 -1.154892 1.683947 
1 1 1   27    2   27 o   9.6007   2.4273   13.103   6.2626   4.6824   8.6291   22.474   9.1033   7.4758   2.9375   12.542   2.7757 -5.066598 4.041428 
1 1 1   27    2   28 o   44.438   0.9400  266.017   11.219  256.167   16.700  274.117   15.146   43.520   1.4287   45.056   1.2515 -1.536057 1.899352 
1 1 1   27    2   29 o   28.465   1.0700  109.278   8.1808  101.114   12.086  116.182   11.114   27.252   1.6590   29.305   1.4120 -2.052994 2.178563 
1 1 1   27    2   30 o   29.819   1.0787  119.960   8.6398  117.758   12.203  122.172   12.234   29.434   1.5491   29.987   1.5239 -0.5538158 2.173011 
1 1 1   27    2   31 o   19.710   1.3427   52.804   7.0658   39.671   9.9055   66.409   10.082   16.872   2.2413   22.037   1.7169 -5.164936 2.823286 
1 1 1   27    2   32 o   7.4916   2.6205   6.9894   6.5007   1.3795   8.9763   13.177   9.4269   6.8573   2.8800   9.7795   3.1541 -2.922192 4.271134 
1 1 1   27    2   33 f   21.044   1.4337   60.307   8.0554   47.748   10.641   77.168   12.329   18.535   2.1790   23.686   1.9555 -5.151249 2.927803 
1 1 1   27    2   34 o   13.750   2.6382   27.033   9.3886   37.802   13.292   16.310   13.263   16.144   3.1785   10.966   3.7478 5.177892 4.914093 
1 1 1   27    2   35 o   31.714   1.0753  135.829   9.1593  116.389   13.696  151.558   12.319   29.170   1.7563   33.441   1.3716 -4.270720 2.228413 
1 1 1   27    2   36 o   24.242   1.2739   79.768   8.2653   77.691   12.262   81.497   11.190   23.758   1.9384   24.399   1.7185 -0.6408749 2.590456 
1 1 1   27    2   37 o   47.077   0.9823  299.056   12.421  306.753   18.719  293.002   16.603   47.539   1.4660   46.505   1.3292 1.033829 1.978864 
1 1 1   27    2   38 o   60.099   0.8904  487.039   14.372  509.148   20.935  467.330   19.766   61.319   1.2711   58.754   1.2525 2.565079 1.784530 
1 1 1   27    2   39 o   21.289   1.3795   61.742   7.8455   65.033   11.066   58.416   11.124   21.711   1.9174   20.530   2.0446 1.180733 2.802981 
1 1 1   27    2   40 o   27.389   1.1460  101.513   8.4305   95.974   11.823  107.242   12.024   26.468   1.6718   28.005   1.6053 -1.537035 2.317696 
1 1 1   27    2   41 o   11.736   2.9354   20.247   9.2291   16.927   11.895   25.267   14.629   10.869   3.5458   12.952   3.8915 -2.083212 5.264653 
1 1 1   27    2   42 o   32.590   1.1965  144.125   10.474  130.523   14.563  158.699   15.074   30.779   1.7690   34.041   1.6487 -3.261583 2.418144 
1 1 1   27    2   43 o   8.0085   2.9386   7.8643   8.2807  -1.2747   11.280   18.544   12.194   7.0300   3.0911   11.160   3.5860 -4.129745 4.734348 
1 1 1   27    2   44 o   24.025   1.8193   80.345   11.653   74.981   13.725   94.198   22.057   22.992   2.2513   25.031   3.3660 -2.039024 4.049487 
1 1 1   27    2   45 o   16.406   2.1373   38.438   9.1947   43.545   12.778   32.955   13.241   17.089   2.8868   14.524   3.4460 2.564899 4.495445 
1 1 1   27    2   46 o   8.1651   3.0938   8.2304   9.3251  -4.0980   12.397   24.296   14.152   6.8503   3.1083   12.240   3.8558 -5.389991 4.952624 
1 1 1   27    2   47 o   15.306   2.4796   34.713   9.8449   25.132   13.132   47.007   14.876   12.371   3.6803   17.272   3.3272 -4.900994 4.961312 
1 1 1   27    3  -41 f   9.4959   3.6159   10.549   12.777   25.918   17.936  -5.2868   18.207   13.054   4.3587   8.4265   3.8003 4.627020 5.782836 
1 1 1   27    3  -40 o   16.941   2.9944   41.802   13.126   26.918   18.769   56.051   18.364   13.376   4.4586   19.343   3.6690 -5.966619 5.774096 
1 1 1   27    3  -39 o   18.879   2.2181   49.882   11.033   52.466   13.729   45.170   18.540   19.171   2.7445   17.201   4.0755 1.970695 4.913453 
1 1 1   27    3  -38 o   13.753   2.5617   27.085   9.1144   35.244   12.609   18.156   13.191   15.539   3.1293   11.322   3.7359 4.216706 4.873358 
1 1 1   27    3  -37 o   5.1659   2.4183  -7.8915   8.3915  -0.7342   11.784 -15.2544   11.952   7.3743   3.2023   5.7414   2.7452 1.632887 4.217945 
1 1 1   27    3  -36 o   8.0162   2.9641   7.3395   8.4515   11.807   11.841   2.7005   12.066   9.7403   3.5231   8.0087   3.3498 1.731639 4.861441 
1 1 1   27    3  -35 o   37.013   1.1762  185.277   11.694  177.256   16.285  193.815   16.801   36.072   1.6808   37.727   1.6580 -1.654495 2.361007 
1 1 1   27    3  -34 o   48.582   1.3761  319.977   17.957  319.874   22.998  320.138   28.740   48.426   1.7681   48.232   2.2185 0.1935196 2.836898 
1 1 1   27    3  -33 o   21.747   1.6059   64.655   9.3140   73.459   13.276   56.121   13.071   23.027   2.1722   20.001   2.4868 3.025995 3.301861 
1 1 1   27    3  -32 f   10.027   2.9355   14.356   8.4113   3.3107   11.875   25.475   11.916   8.0760   3.3459   13.175   3.3575 -5.098913 4.739988 
1 1 1   27    3  -31 o   53.178   1.0462  381.690   14.943  387.817   21.242  375.688   21.026   53.470   1.4791   52.624   1.4876 0.8457985 2.097779 
1 1 1   27    3  -30 o   9.7799   3.4715   12.075   11.440   17.281   15.860   6.4279   16.519   11.509   4.0871   9.7271   3.9790 1.781999 5.704151 
1 1 1   27    3  -29 o   15.340   2.0873   32.723   8.3768   47.391   11.707   17.334   11.991   18.417   2.4257   11.130   3.5539 7.287236 4.302822 
1 1 1   27    3  -28 o   29.445   1.2246  117.115   9.6851  112.878   13.567  121.520   13.831   28.767   1.7644   29.860   1.7320 -1.093006 2.472404 
1 1 1   27    3  -27 o   8.0655   2.8284   8.0555   7.5750   11.292   10.818   4.9415   10.610   9.5303   3.3765   8.0822   3.2310 1.448093 4.673358 
1 1 1   27    3  -26 o   27.500   1.2628  102.122   9.3276   94.632   13.046  109.956   13.342   26.325   1.8570   28.409   1.7571 -2.084364 2.556524 
1 1 1   27    3  -25 o   19.825   1.5909   53.563   8.4001   49.541   11.763   57.748   11.999   18.891   2.3705   20.455   2.2196 -1.564034 3.247465 
1 1 1   27    3  -24 o   17.136   1.7646   40.236   8.0058   34.433   11.327   46.027   11.316   15.596   2.8074   18.206   2.3704 -2.609990 3.674244 
1 1 1   27    3  -23 o   59.225   0.9944  472.495   15.818  454.062   22.082  491.924   22.670   57.968   1.4183   60.341   1.3988 -2.373493 1.992000 
1 1 1   27    3  -22 o   30.303   1.3508  123.993   10.994  117.376   18.787  127.440   13.558   29.216   2.4159   30.637   1.6538 -1.420996 2.927711 
1 1 1   27    3  -21 o   29.766   1.5109  120.081   12.040  111.767   15.418  133.076   19.276   28.611   2.0192   31.154   2.3202 -2.542994 3.075840 
1 1 1   27    3  -20 o   23.495   1.5711   74.975   9.8572   75.174   12.192   74.598   16.750   23.455   1.9530   23.173   2.7445 0.2824554 3.368493 
1 1 1   27    3  -19 o   34.087   1.0858  156.548   9.9410  153.087   13.750  160.337   14.389   33.657   1.5211   34.440   1.5555 -0.7828445 2.175614 
1 1 1   27    3  -18 o   29.083   1.1709  114.001   9.1463  133.302   13.197   96.160   12.688   31.405   1.5645   26.589   1.7870 4.815836 2.375119 
1 1 1   27    3  -17 o   25.798   1.4021   90.082   9.6788   93.910   12.218   83.634   15.858   26.287   1.7404   24.658   2.4258 1.628286 2.985565 
1 1 1   27    3  -16 o   40.956   1.1460  225.993   12.606  232.394   15.942  215.311   20.595   41.496   1.4304   39.861   1.9236 1.634083 2.397090 
1 1 1   27    3  -15 o   12.478   3.1251   22.209   10.451   44.127   19.878   13.836   12.286   17.425   4.2787   10.443   3.6054 6.981309 5.595219 
1 1 1   27    3  -14 o   6.6564   2.7487   1.8231   7.9770 -23.0266   14.392   12.843   9.5839   6.0087   2.9080   9.8076   3.1820 -3.798855 4.310642 
1 1 1   27    3  -13 o   20.719   1.5857   58.295   8.7573   59.133   15.198   57.879   10.715   20.628   2.8168   20.584   1.9618 0.4374313E-01 3.432684 
1 1 1   27    3  -12 o   44.026   0.8062  260.652   9.5332  255.920   11.584  270.583   16.780   43.610   0.9890   44.797   1.3946 -1.187138 1.709705 
1 1 1   27    3  -11 o   73.561   0.7902  727.598   15.613  725.062   22.170  730.093   21.991   73.386   1.1248   73.642   1.1118 -0.2562561 1.581521 
1 1 1   27    3  -10 o   27.774   0.8625  103.744   6.4341  107.639   10.142  101.120   8.3236   28.262   1.3360   27.407   1.1307 0.8558388 1.750285 
1 1 1   27    3   -9 o   53.369   0.7285  382.881   10.443  393.737   14.996  372.660   14.551   54.093   1.0322   52.626   1.0295 1.467449 1.457790 
1 1 1   27    3   -8 o   64.918   0.7583  566.550   13.222  558.953   18.734  574.089   18.664   64.447   1.0823   65.316   1.0639 -0.8690948 1.517596 
1 1 1   27    3   -7 o   45.354   0.8234  276.575   10.030  282.683   16.603  273.065   12.587   45.807   1.3495   45.050   1.0402 0.7569313 1.703889 
1 1 1   27    3   -6 o   28.467   0.8922  108.979   6.8221  107.622   9.4839  110.434   9.8206   28.271   1.2490   28.636   1.2768 -0.3651676 1.786123 
1 1 1   27    3   -5 o   28.845   0.8994  111.887   6.9683  118.883   10.408  106.204   9.3810   29.711   1.3043   28.085   1.2436 1.625298 1.802144 
1 1 1   27    3   -4 o   10.987   1.9040   16.769   5.4149   16.533   7.5267   17.022   7.7961   10.821   2.6181   10.978   2.6698 -0.1569262 3.739244 
1 1 1   27    3   -3 o   6.3089   2.3554   4.0726   5.3620   8.3064   7.9316   0.5093   7.2766   8.2789   2.8947   6.1255   2.5839 2.153439 3.880191 
1 1 1   27    3   -2 o   53.175   0.8516  380.177   12.163  365.257   17.798  393.253   16.661   52.084   1.2722   54.056   1.1476 -1.972282 1.713327 
1 1 1   27    3   -1 o   49.940   0.7879  335.274   10.568  328.122   15.850  340.998   14.181   49.373   1.1952   50.346   1.0487 -0.9726677 1.590038 
1 1 1   27    3    0 o   16.013   1.6428   34.941   6.9654   34.564   10.812   35.209   9.1072   15.747   2.6505   15.987   2.1775 -0.2408504 3.430312 
1 1 1   27    3    1 o   29.789   0.9030  119.329   7.2247  116.030   10.928  121.891   9.6296   29.348   1.3863   30.093   1.1914 -0.7442303 1.827895 
1 1 1   27    3    2 o   60.922   0.7647  498.914   12.512  511.428   17.901  486.958   17.497   61.653   1.0810   60.159   1.0828 1.493225 1.530064 
1 1 1   27    3    3 o   67.230   0.7822  607.607   14.125  609.548   20.028  605.686   19.924   67.304   1.1079   67.090   1.1057 0.2132645 1.565259 
1 1 1   27    3    4 o   41.863   0.7947  235.601   8.9360  231.073   13.057  239.590   12.256   41.433   1.1733   42.197   1.0813 -0.7638969 1.595592 
1 1 1   27    3    5 o   24.165   1.0337   78.563   6.7090   86.552   9.3999   70.268   9.5786   25.308   1.3881   22.773   1.5757 2.535059 2.099916 
1 1 1   27    3    6 o   44.441   0.7585  265.494   9.0537  261.126   12.701  270.007   12.909   44.052   1.0734   44.795   1.0730 -0.7428856 1.517730 
1 1 1   27    3    7 o   42.204   0.7688  239.446   8.7151  232.614   12.264  246.416   12.387   41.575   1.0983   42.792   1.0777 -1.217304 1.538729 
1 1 1   27    3    8 o   33.519   0.8368  151.070   7.5335  156.235   10.636  145.869   10.672   34.067   1.1624   32.914   1.2072 1.152744 1.675854 
1 1 1   27    3    9 o   26.507   0.9480   94.514   6.7490   90.469   9.2924   99.030   9.8184   25.877   1.3416   27.110   1.3484 -1.232292 1.902113 
1 1 1   27    3   10 o   19.753   1.1530   52.713   6.0905   45.045   8.3917   61.247   8.8535   18.180   1.7398   21.249   1.5622 -3.069368 2.338237 
1 1 1   27    3   11 o   39.654   0.7994  211.441   8.5147  220.778   11.938  201.774   12.148   40.497   1.0976   38.709   1.1684 1.788349 1.603045 
1 1 1   27    3   12 o   24.632   1.1283   81.696   7.4645   92.645   10.404   70.081   10.716   26.164   1.4866   22.703   1.7714 3.461021 2.312524 
1 1 1   27    3   13 o   33.716   0.8863  152.924   8.0266  157.081   10.972  148.137   11.773   34.148   1.1963   33.150   1.3222 0.9976311 1.783085 
1 1 1   27    3   14 o   53.831   0.8071  389.724   11.670  384.646   15.765  395.879   17.356   53.446   1.0982   54.207   1.1920 -0.7617760 1.620824 
1 1 1   27    3   15 o   60.250   0.8141  488.254   13.174  489.720   17.901  486.521   19.459   60.301   1.1052   60.087   1.2057 0.2135239 1.635612 
1 1 1   27    3   16 o   13.531   1.7500   25.174   6.2110   25.042   8.3738   25.336   9.2603   13.362   2.4225   13.393   2.6680 -0.3123474E-01 3.603676 
1 1 1   27    3   17 o   24.869   1.1031   83.314   7.3686   75.909   9.8884   92.560   11.049   23.650   1.5655   26.123   1.5822 -2.472931 2.225834 
1 1 1   27    3   18 o   55.728   0.8286  417.828   12.403  418.758   16.909  416.744   18.249   55.747   1.1293   55.597   1.2220 0.1500702 1.663943 
1 1 1   27    3   19 o   14.924   1.6292   30.479   6.4246   30.556   8.7930   30.390   9.4100   14.814   2.2833   14.732   2.4652 0.8178329E-01 3.360151 
1 1 1   27    3   20 o   21.847   1.1893   64.542   6.9525   55.710   9.4165   75.126   10.309   20.206   1.7524   23.507   1.6431 -3.300379 2.402219 
1 1 1   27    3   21 o   55.363   0.8053  412.398   11.974  401.328   16.707  424.093   17.172   54.563   1.1400   56.090   1.1398 -1.526245 1.612057 
1 1 1   27    3   22 o   37.443   0.8634  188.702   8.6833  192.488   12.135  184.731   12.430   37.779   1.1959   37.002   1.2507 0.7764587 1.730478 
1 1 1   27    3   23 o   61.407   0.8563  507.549   14.123  500.691   20.821  513.393   19.220   60.908   1.2728   61.702   1.1597 -0.7937660 1.721877 
1 1 1   27    3   24 o   38.971   0.9709  204.575   10.163  209.048   14.329  200.048   14.416   39.339   1.3562   38.476   1.3949 0.8626251 1.945504 
1 1 1   27    3   25 o   28.607   1.0069  110.275   7.7364  111.919   10.781  108.530   11.108   28.775   1.3950   28.290   1.4669 0.4857140 2.024294 
1 1 1   27    3   26 o   22.040   1.2095   65.765   7.1326   60.366   9.8824   71.636   10.305   21.016   1.7672   22.923   1.6855 -1.907101 2.442123 
1 1 1   27    3   27 o   32.290   0.9835  140.520   8.5301  140.217   12.241  140.805   11.893   32.195   1.4156   32.269   1.3722 -0.7459641E-01 1.971523 
1 1 1   27    3   28 o   33.201   1.0105  148.622   9.0115  150.454   13.317  147.074   12.240   33.329   1.4876   32.971   1.3821 0.3572769 2.030562 
1 1 1   27    3   29 o   23.822   1.2192   76.876   7.7746   70.252   11.528   82.402   10.529   22.624   1.9151   24.590   1.6030 -1.965965 2.497440 
1 1 1   27    3   30 o   24.495   1.1990   81.087   7.8883   93.467   11.679   70.703   10.697   26.171   1.6702   22.725   1.7664 3.446293 2.431028 
1 1 1   27    3   31 o   24.933   1.2125   84.047   8.1196   80.613   11.837   87.098   11.158   24.248   1.8310   25.256   1.6540 -1.008093 2.467505 
1 1 1   27    3   32 f   16.695   1.6586   38.284   7.3390   44.932   10.671   32.316   10.110   17.941   2.2648   15.079   2.5895 2.862174 3.440165 
1 1 1   27    3   33 o   27.847   1.4797  105.551   11.028  100.848   15.692  110.141   15.501   27.006   2.1819   28.275   2.0552 -1.268770 2.997411 
1 1 1   27    3   34 o   21.704   1.3178   64.044   7.6457   53.231   10.689   75.373   10.941   19.600   2.0612   23.449   1.7497 -3.848711 2.703762 
1 1 1   27    3   35 o   29.366   1.2238  116.689   9.6525  113.862   16.321  118.210   11.970   28.715   2.1313   29.459   1.5180 -0.7440262 2.616675 
1 1 1   27    3   36 o   9.5028   2.8609   12.804   7.9009   20.569   12.064   6.9725   10.455   11.880   3.5260   8.4017   3.2524 3.477881 4.796953 
1 1 1   27    3   37 o   37.190   1.0218  186.764   10.207  204.254   15.463  173.261   13.587   38.774   1.4848   35.730   1.4158 3.044033 2.051614 
1 1 1   27    3   38 o   25.305   1.2940   87.015   8.7658   87.777   11.481   85.950   13.574   25.309   1.6987   24.932   2.0450 0.3770180 2.658516 
1 1 1   27    3   39 o   20.753   1.3975   58.768   7.7444   58.629   10.780   58.917   11.133   20.567   1.9757   20.598   2.0392 -0.3033447E-01 2.839301 
1 1 1   27    3   40 o   24.904   1.2166   84.105   8.1378   80.104   11.177   88.620   11.872   24.126   1.7364   25.376   1.7525 -1.250385 2.467099 
1 1 1   27    3   41 f   39.355   1.1473  210.030   12.128  207.989   15.701  213.048   19.095   39.031   1.4977   39.358   1.8063 -0.3260460 2.346481 
1 1 1   27    3   42 f   25.581   1.4239   89.641   9.7447  104.783   13.693   74.103   13.871   27.475   1.8666   22.894   2.2864 4.581528 2.951544 
1 1 1   27    3   43 o   25.619   1.4915   90.292   10.219   90.743   14.264   89.817   14.647   25.384   2.1112   25.213   2.1845 0.1715660 3.037985 
1 1 1   27    3   44 o   11.614   2.9501   20.518   9.2205   25.544   13.273   15.831   12.818   12.683   3.6803   10.397   3.6763 2.286388 5.201875 
1 1 1   27    3   45 o   30.444   1.4164  127.498   11.582  119.114   15.274  138.839   17.765   29.049   1.9692   31.245   2.1295 -2.195805 2.900440 
1 1 1   27    3   46 o   7.1095   2.9967   2.9448   9.7755  -5.8429   12.610   16.177   15.474   6.6532   3.0622   10.460   3.9801 -3.806589 5.021798 
1 1 1   27    3   47 o   10.111   3.5246   16.098   11.755   2.6324   20.779   22.435   14.255   9.1590   4.1010   11.545   3.8856 -2.385777 5.649418 
1 1 1   27    4  -40 o   14.899   3.3276   33.386   12.980   44.715   18.676   22.800   18.053   16.875   4.1494   12.435   4.3661 4.439782 6.023328 
1 1 1   27    4  -39 o   15.581   3.0917   35.727   12.482   32.481   17.772   38.888   17.534   14.467   4.2760   15.848   4.0913 -1.381004 5.917985 
1 1 1   27    4  -38 o   9.6446   3.3125   12.565   10.364   9.6246   12.991   17.715   17.189   9.4252   3.6319   11.573   4.2357 -2.147288 5.579624 
1 1 1   27    4  -37 o   12.297   2.8272   22.022   9.1426   28.117   13.107   16.246   12.759   13.730   3.5335   10.829   3.6759 2.900954 5.098859 
1 1 1   27    4  -36 o   19.422   1.8287   52.010   9.4269   63.497   13.573   41.304   13.103   21.284   2.4171   16.911   2.9943 4.372604 3.848178 
1 1 1   27    4  -35 o   30.460   1.3096  125.733   10.714  131.124   15.102  120.268   15.203   30.924   1.8263   29.578   1.9241 1.345863 2.652804 
1 1 1   27    4  -34 o   49.149   1.0733  326.365   14.168  328.776   19.942  323.906   20.134   49.186   1.5095   48.810   1.5357 0.3757439 2.153395 
1 1 1   27    4  -33 o   28.344   1.4691  109.384   11.146  107.550   14.939  111.687   16.739   27.942   2.0038   28.401   2.2118 -0.4585190 2.984512 
1 1 1   27    4  -32 f   5.4588   2.5544  -8.6721   9.3468   5.5349   12.325 -27.9014   14.339   8.5726   3.4627   5.5957   2.7497 2.976913 4.421689 
1 1 1   27    4  -31 f   26.071   1.3879   92.408   9.6835   99.637   13.457   84.647   13.945   26.943   1.8712   24.747   2.1184 2.196499 2.826495 
1 1 1   27    4  -30 o   30.693   1.2469  127.460   10.279  113.207   14.414  142.213   14.664   28.733   1.8780   32.276   1.6975 -3.542797 2.531464 
1 1 1   27    4  -29 o   14.084   3.2053   28.910   11.852   13.954   16.222   46.038   17.360   10.908   4.0921   17.653   3.7755 -6.744437 5.567741 
1 1 1   27    4  -28 o   13.233   2.7181   25.092   9.3374   17.699   14.658   30.141   12.113   11.457   3.9391   14.399   3.2135 -2.942814 5.083618 
1 1 1   27    4  -27 o   55.484   1.0154  415.175   15.132  411.540   21.223  418.934   21.582   55.126   1.4334   55.615   1.4448 -0.4892540 2.035209 
1 1 1   27    4  -26 o   39.590   1.0662  211.420   11.338  217.556   16.151  205.459   15.919   40.074   1.5005   38.939   1.5221 1.134953 2.137349 
1 1 1   27    4  -25 o   27.123   1.2695   99.385   9.2484   97.241   13.062  101.540   13.096   26.683   1.8337   27.278   1.7976 -0.5947342 2.567828 
1 1 1   27    4  -24 o   42.726   1.0297  246.074   11.817  241.225   16.732  250.900   16.691   42.220   1.4755   43.066   1.4430 -0.8454742 2.063812 
1 1 1   27    4  -23 o   15.533   1.9668   33.324   8.0213   45.140   11.759   23.043   10.969   17.983   2.5024   12.641   3.2215 5.342546 4.079226 
1 1 1   27    4  -22 o   23.694   1.3524   76.086   8.5709   89.185   12.608   64.834   11.686   25.564   1.8488   21.737   2.0249 3.826681 2.741948 
1 1 1   27    4  -21 o   27.284   1.4488  100.914   10.579  114.146   18.757   94.742   12.811   28.785   2.4494   26.362   1.8204 2.422270 3.051817 
1 1 1   27    4  -20 o   20.605   1.6464   57.849   9.0355   43.476   13.363   69.955   12.264   17.543   2.9401   22.590   2.0434 -5.047911 3.580403 
1 1 1   27    4  -19 o   25.198   1.4997   86.143   10.104   97.345   12.481   64.846   17.210   26.746   1.7471   21.475   3.0711 5.270428 3.533241 
1 1 1   27    4  -18 o   24.012   2.0914   78.985   13.353   87.721   14.459   28.320   34.818   25.301   2.1480   15.570   5.9593 9.730974 6.334633 
1 1 1   27    4  -17 o   8.5022   2.7897   9.5559   7.3588   6.7459   10.242   12.554   10.580   8.3990   3.2280   9.8453   3.3473 -1.446378 4.650189 
1 1 1   27    4  -16 o   43.109   1.0783  250.366   12.485  247.669   18.778  252.503   16.715   42.788   1.6339   43.239   1.4393 -0.4508553 2.177432 
1 1 1   27    4  -15 o   45.040   1.1349  273.367   13.729  259.590   16.932  299.811   23.458   43.845   1.4378   47.034   1.8569 -3.188629 2.348468 
1 1 1   27    4  -14 o   47.947   1.0227  309.562   13.171  306.747   18.044  312.773   19.269   47.671   1.4092   48.122   1.4908 -0.4514389 2.051423 
1 1 1   27    4  -13 o   35.802   0.9141  172.497   8.7899  174.783   11.228  168.878   14.127   36.016   1.1607   35.364   1.4873 0.6514473 1.886611 
1 1 1   27    4  -12 o   82.067   0.8985  906.245   19.805  913.533   31.078  901.262   25.700   82.281   1.4062   81.786   1.1699 0.4948120 1.829268 
1 1 1   27    4  -11 o   32.786   0.8025  144.576   7.0670  142.230   10.771  146.349   9.3642   32.486   1.2345   32.968   1.0575 -0.4825058 1.625486 
1 1 1   27    4  -10 o   30.609   0.8738  126.041   7.1839  131.336   9.7003  119.610   10.691   31.225   1.1566   29.784   1.3364 1.441612 1.767421 
1 1 1   27    4   -9 o   37.070   0.7519  184.777   7.4861  169.527   10.581  200.062   10.593   35.481   1.1103   38.553   1.0230 -3.071098 1.509699 
1 1 1   27    4   -8 o   17.201   1.1248   40.010   5.1681   37.871   7.4600   41.983   7.1665   16.658   1.6908   17.571   1.5339 -0.9130936 2.282868 
1 1 1   27    4   -7 o   21.828   1.0421   64.129   6.1097   70.433   8.9081   58.529   8.3956   22.804   1.4621   20.772   1.5152 2.031984 2.105614 
1 1 1   27    4   -6 o   50.981   0.7350  349.425   10.064  349.742   14.376  349.121   14.094   50.975   1.0500   50.932   1.0303 0.4314423E-01 1.471062 
1 1 1   27    4   -5 o   41.233   0.9081  228.705   10.057  229.382   15.556  228.219   13.182   41.247   1.4042   41.165   1.1923 0.8214569E-01 1.842059 
1 1 1   27    4   -4 o   18.796   1.2319   47.788   6.1846   49.875   8.9346   45.869   8.5696   19.134   1.7582   18.342   1.7611 0.7915936 2.488513 
1 1 1   27    4   -3 o   46.421   0.7473  289.708   9.3176  293.596   13.276  285.935   13.080   46.706   1.0583   46.093   1.0565 0.6131821 1.495423 
1 1 1   27    4   -2 o   51.795   0.7852  360.704   10.924  360.942   16.321  360.510   14.702   51.774   1.1737   51.756   1.0576 0.1814270E-01 1.579885 
1 1 1   27    4   -1 o   52.565   0.9382  371.697   13.246  365.997   21.237  375.327   16.947   52.090   1.5179   52.794   1.1951 -0.7037201 1.931947 
1 1 1   27    4    0 o   41.091   0.8554  227.074   9.4405  220.813   15.247  230.967   12.023   40.473   1.4025   41.425   1.0805 -0.9516220 1.770496 
1 1 1   27    4    1 o   42.579   0.8125  243.785   9.2921  239.195   13.877  247.515   12.511   42.143   1.2260   42.883   1.0862 -0.7399406 1.637968 
1 1 1   27    4    2 o   36.992   0.8473  184.023   8.4189  193.326   12.631  176.586   11.293   37.885   1.2413   36.215   1.1610 1.670750 1.699635 
1 1 1   27    4    3 o   9.1527   2.3690   11.797   5.8688   14.901   8.9304   9.4367   7.7862   10.344   3.0237   8.5680   2.8718 1.776001 4.170114 
1 1 1   27    4    4 o   32.691   0.8999  143.747   7.9013  149.020   11.477  138.995   10.894   33.257   1.2848   32.121   1.2627 1.136345 1.801458 
1 1 1   27    4    5 o   10.674   2.0192   15.926   5.5772   23.722   7.9627   8.4184   7.8141   13.023   2.3635   8.2738   2.8743 4.748915 3.721273 
1 1 1   27    4    6 o   42.841   0.7766  246.783   8.9362  242.322   12.480  251.477   12.802   42.426   1.0951   43.220   1.1028 -0.7932434 1.554212 
1 1 1   27    4    7 o   51.770   0.7623  360.368   10.600  362.783   14.878  357.878   15.106   51.913   1.0670   51.558   1.0909 0.3548851 1.525942 
1 1 1   27    4    8 o   10.903   1.9920   16.593   5.6185   9.7799   7.8556   23.729   8.0391   8.6758   2.8841   13.016   2.3876 -4.339811 3.744115 
1 1 1   27    4    9 o   33.912   0.8408  154.681   7.6587  154.060   10.671  155.341   10.999   33.819   1.1748   33.956   1.2059 -0.1376038 1.683563 
1 1 1   27    4   10 o   28.228   0.9220  107.216   6.9902  109.267   9.8875  105.167   9.8837   28.471   1.2930   27.929   1.3176 0.5413570 1.846028 
1 1 1   27    4   11 o   52.702   0.8605  373.652   12.181  372.367   16.989  375.012   17.475   52.568   1.2032   52.750   1.2334 -0.1818810 1.723080 
1 1 1   27    4   12 o   26.218   1.0349   92.547   7.2875   98.049   9.7295   85.516   10.999   26.962   1.3435   25.101   1.6405 1.861139 2.120439 
1 1 1   27    4   13 o   67.569   0.8055  614.118   14.618  626.127   20.667  602.093   20.680   68.173   1.1287   66.848   1.1518 1.325584 1.612613 
1 1 1   27    4   14 o   43.852   0.7986  258.672   9.4064  264.251   13.184  252.888   13.425   44.289   1.1083   43.320   1.1538 0.9684639 1.599848 
1 1 1   27    4   15 o   56.359   0.8160  427.328   12.353  441.831   16.850  410.476   18.163   57.267   1.0955   55.176   1.2256 2.091461 1.643836 
1 1 1   27    4   16 o   28.243   1.0380  107.440   7.8738   98.410   10.548  118.805   11.833   26.952   1.4626   29.616   1.4924 -2.663803 2.089558 
1 1 1   27    4   17 o   23.796   1.1101   76.313   7.0954   76.316   9.6218   76.309   10.505   23.713   1.5187   23.688   1.6616 0.2539444E-01 2.251078 
1 1 1   27    4   18 o   40.679   0.8629  222.709   9.4278  230.409   12.931  213.973   13.774   41.339   1.1646   39.820   1.2879 1.519123 1.736379 
1 1 1   27    4   19 o   27.387   1.0224  101.045   7.5210   99.599   10.169  102.792   11.174   27.118   1.4010   27.531   1.5170 -0.4125805 2.064947 
1 1 1   27    4   20 o   28.573   1.0123  109.985   7.7687  110.309   10.655  109.618   11.351   28.576   1.3883   28.435   1.4914 0.1406021 2.037552 
1 1 1   27    4   21 o   30.688   0.9666  126.844   7.9669  125.907   10.897  127.919   11.677   30.534   1.3287   30.766   1.4131 -0.2318802 1.939654 
1 1 1   27    4   22 o   40.238   0.8557  217.961   9.2486  222.037   12.893  213.641   13.274   40.569   1.1832   39.785   1.2422 0.7836113 1.715545 
1 1 1   27    4   23 o   20.459   1.4829   56.920   8.0932   65.664   11.221   47.441   11.684   21.894   1.9279   18.467   2.4132 3.426252 3.088760 
1 1 1   27    4   24 o   17.042   1.5152   39.621   6.8633   37.987   9.5262   41.385   9.8968   16.541   2.1987   17.281   2.1808 -0.7398624 3.096806 
1 1 1   27    4   25 o   38.243   0.8947  196.988   9.1896  213.636   13.095  180.834   12.899   39.775   1.2258   36.579   1.3129 3.195549 1.796185 
1 1 1   27    4   26 o   34.349   0.9904  159.047   9.1367  156.030   13.464  161.623   12.440   33.943   1.4768   34.571   1.3397 -0.6286850 1.993919 
1 1 1   27    4   27 o   17.906   1.5147   43.766   7.2167   40.577   9.9797   47.262   10.448   17.074   2.2294   18.469   2.1462 -1.394911 3.094567 
1 1 1   27    4   28 o   10.659   2.4641   16.260   6.9134   10.992   10.286   20.601   9.3372   9.3313   3.2938   11.935   2.9335 -2.603936 4.410740 
1 1 1   27    4   29 o   4.6849   2.2030  -7.3319   7.0989  -3.8890   11.274  -9.5938   9.1379   6.7819   3.0298   5.2798   2.4879 1.502121 3.920356 
1 1 1   27    4   30 o   66.481   0.9026  595.873   16.117  583.658   23.780  606.252   21.920   65.639   1.3488   66.950   1.2190 -1.311562 1.818021 
1 1 1   27    4   31 f   39.576   0.9777  211.343   10.393  222.125   15.993  203.461   13.674   40.452   1.4720   38.757   1.3135 1.694687 1.972818 
1 1 1   27    4   32 f   28.364   1.2752  108.940   9.7147   97.039   16.218  115.600   12.132   26.432   2.3075   29.120   1.5568 -2.687759 2.783600 
1 1 1   27    4   33 o   14.408   2.0615   29.027   7.7504   34.641   10.243   21.509   11.854   15.625   2.5271   12.113   3.4672 3.511992 4.290431 
1 1 1   27    4   34 o   26.811   1.1413   97.191   8.2183   99.302   11.442   94.942   11.811   26.970   1.5865   26.344   1.6780 0.6261368 2.309292 
1 1 1   27    4   35 o   36.009   1.1216  175.297   10.848  180.408   15.231  170.034   15.454   36.419   1.5571   35.336   1.6283 1.083603 2.252985 
1 1 1   27    4   36 o   12.772   2.1862   23.060   7.2301   16.144   9.9565   30.776   10.516   10.598   3.2163   14.616   2.7804 -4.018324 4.251481 
1 1 1   27    4   37 o   19.515   1.5593   52.174   8.1049   58.988   11.960   46.387   11.022   20.567   2.1991   18.177   2.3097 2.390152 3.189190 
1 1 1   27    4   38 o   20.371   1.6548   57.027   8.9757   46.385   12.237   69.419   13.205   18.051   2.5989   22.293   2.2356 -4.241714 3.428136 
1 1 1   27    4   39 o   8.5568   2.8799   9.9244   7.8305   12.155   11.546   8.0249   10.656   9.6770   3.4819   8.5989   3.2954 1.078147 4.794066 
1 1 1   27    4   40 o   6.0193   2.6458  -1.3802   8.2581  -8.6102   11.261   7.0317   12.147   6.1052   2.8391   8.6779   3.4611 -2.572675 4.476554 
1 1 1   27    4   41 o   23.288   1.5051   74.544   9.3639   73.522   12.876   75.692   13.642   22.872   2.1200   23.161   2.2203 -0.2884750 3.069858 
1 1 1   27    4   42 o   12.270   2.7985   22.509   9.0187   17.275   12.378   28.430   13.167   10.766   3.6208   13.485   3.5768 -2.718951 5.089567 
1 1 1   27    4   43 o   33.915   1.2514  157.130   11.399  161.130   16.261  153.265   15.985   34.005   1.7866   33.152   1.8019 0.8527069 2.537472 
1 1 1   27    4   44 o   7.4250   2.9715   5.3321   8.9850   13.467   12.950  -2.2195   12.477   9.8019   3.6602   7.0969   3.1777 2.704966 4.847187 
1 1 1   27    4   45 f   9.0916   3.2572   11.955   10.094   26.540   16.484   3.2043   12.768   12.472   4.1784   7.8646   3.3736 4.606905 5.370295 
1 1 1   27    4   46 o   7.2299   3.2792  -2.8359   13.781 -44.0400   22.799   20.884   17.298   6.5454   3.2602   11.224   4.2227 -4.678357 5.334739 
1 1 1   27    5  -39 o   22.750   2.2706   72.964   13.689   64.748   19.907   80.333   18.854   20.624   3.7310   23.446   3.0675 -2.821400 4.830086 
1 1 1   27    5  -38 f   7.3382   3.2327  -1.7447   12.390  -2.4825   17.284  -0.9647   17.772   8.5328   3.7854   8.8211   3.8792 -0.2882214 5.420075 
1 1 1   27    5  -37 o   7.2770   3.1667  -0.6524   11.572  -5.9500   15.747   5.5666   17.062   7.7917   3.5223   9.5541   3.9887 -1.762436 5.321299 
1 1 1   27    5  -36 o   41.436   1.1452  232.396   12.745  231.700   18.222  233.062   17.834   41.203   1.6465   41.340   1.6061 -0.1369972 2.300128 
1 1 1   27    5  -35 o   29.578   1.3226  118.656   10.507  120.051   14.734  117.212   14.988   29.553   1.8658   29.179   1.9232 0.3739357 2.679509 
1 1 1   27    5  -34 o   29.056   1.3452  114.503   10.498  131.747   15.004   97.967   14.693   30.994   1.8102   26.622   2.0711 4.371078 2.750736 
1 1 1   27    5  -33 f   16.625   2.0254   38.459   8.8570   31.067   12.394   46.175   12.662   14.539   3.2548   18.016   2.6998 -3.476866 4.228748 
1 1 1   27    5  -32 o   5.5178   2.5035  -4.2382   8.0413 -10.1400   11.126   2.2167   11.635   5.9484   2.7846   7.7964   3.2769 -1.847998 4.300226 
1 1 1   27    5  -31 o   44.150   1.5589  265.145   18.486  267.032   26.733  263.415   25.590   43.940   2.2729   43.742   2.1781 0.1979713 3.148082 
1 1 1   27    5  -30 o   25.108   1.4442   85.852   9.6982   92.612   13.460   78.553   13.986   25.938   1.9462   23.790   2.2143 2.148369 2.947985 
1 1 1   27    5  -29 o   10.342   2.8728   15.420   8.2652   9.6671   11.886   20.806   11.501   9.2876   3.4991   11.935   3.4149 -2.647305 4.889342 
1 1 1   27    5  -28 o   18.188   2.1206   45.961   10.165   46.367   12.478   45.161   17.525   18.107   2.6436   17.425   3.8473 0.6814117 4.667995 
1 1 1   27    5  -27 o   38.846   1.2802  204.191   13.358  225.708   22.771  192.901   16.494   40.534   2.0987   37.669   1.6302 2.865284 2.657473 
1 1 1   27    5  -26 o   44.596   1.0396  268.348   12.452  272.908   17.650  263.829   17.570   44.869   1.4646   44.111   1.4830 0.7578506 2.084275 
1 1 1   27    5  -25 o   25.798   1.3559   90.300   9.3623   91.744   13.102   88.793   13.383   25.878   1.8982   25.436   1.9744 0.4424782 2.738883 
1 1 1   27    5  -24 o   26.954   1.2558   98.174   9.0913  116.291   12.945   80.540   12.771   29.224   1.6560   24.226   1.9800 4.998024 2.581214 
1 1 1   27    5  -23 o   9.4213   2.8597   12.394   7.8708   19.088   11.593   6.6706   10.720   11.571   3.4614   8.4623   3.2885 3.108935 4.774475 
1 1 1   27    5  -22 o   40.304   1.0614  219.044   11.490  224.364   16.405  213.919   16.100   40.709   1.5003   39.748   1.5080 0.9604988 2.127228 
1 1 1   27    5  -21 o   25.282   1.6252   86.974   10.978   94.667   15.321   78.859   15.736   26.244   2.1937   23.855   2.4929 2.389872 3.320633 
1 1 1   27    5  -20 o   7.8309   2.9206   6.5888   8.2402   5.0032   13.207   7.5994   10.544   8.7908   3.5726   8.6380   3.2858 0.1527615 4.853844 
1 1 1   27    5  -19 o   36.962   1.2312  184.382   12.223  174.011   20.939  189.742   15.053   35.652   2.1974   37.451   1.4965 -1.799683 2.658590 
1 1 1   27    5  -18 o   29.141   1.2697  114.632   9.9384   95.470   13.811  135.210   14.312   26.431   1.9594   31.542   1.6956 -5.110342 2.591198 
1 1 1   27    5  -17 o   83.607   1.2466  943.273   27.994  947.016   34.183  935.650   48.782   83.674   1.5210   82.852   2.1921 0.8218613 2.668088 
1 1 1   27    5  -16 o   27.101   1.4972   99.606   10.856  100.555   13.081   97.505   19.460   27.171   1.8026   26.502   2.7750 0.6690960 3.309103 
1 1 1   27    5  -15 o   33.111   1.1082  147.771   9.8560  152.371   14.066  143.334   13.814   33.562   1.5604   32.549   1.5802 1.013458 2.220730 
1 1 1   27    5  -14 o   39.629   1.1598  211.731   12.345  216.622   15.358  202.800   20.752   40.044   1.4279   38.584   2.0094 1.460049 2.465076 
1 1 1   27    5  -13 o   43.941   0.8324  259.809   9.8242  259.485   11.738  260.566   17.953   43.895   0.9956   43.905   1.5224 -0.9353638E-02 1.819026 
1 1 1   27    5  -12 o   10.075   1.5777   14.049   4.1294   9.7211   5.6763   18.915   6.0185   8.3469   2.4023   11.646   1.9960 -3.298577 3.123303 
1 1 1   27    5  -11 f   62.156   0.7893  519.702   13.178  519.493   19.799  519.868   17.657   62.078   1.1874   62.125   1.0582 -0.4652023E-01 1.590510 
1 1 1   27    5  -10 o   43.622   0.7891  255.962   9.2449  249.995   12.170  264.103   14.215   43.083   1.0517   44.263   1.1956 -1.180283 1.592397 
1 1 1   27    5   -9 o   3.7075   1.7418  -4.6800   4.4209  -6.5292   6.6516  -3.2167   5.9170   4.6080   2.1558   4.7710   2.1577 -0.1630211 3.050141 
1 1 1   27    5   -8 o   40.233   0.8481  217.773   9.1646  232.278   15.725  210.312   11.278   41.485   1.4113   39.517   1.0626 1.967873 1.766542 
1 1 1   27    5   -7 o   67.325   0.8861  609.891   16.023  621.880   24.015  600.273   21.511   67.905   1.3167   66.739   1.2000 1.166168 1.781474 
1 1 1   27    5   -6 o   18.514   1.1415   46.349   5.6484   49.432   8.4225   43.830   7.6146   19.051   1.6626   17.941   1.5969 1.110098 2.305300 
1 1 1   27    5   -5 o   40.956   0.7682  225.576   8.4509  227.938   12.145  223.359   11.767   41.139   1.0991   40.726   1.0757 0.4128799 1.537915 
1 1 1   27    5   -4 o   24.116   0.9819   78.277   6.3602   83.792   9.2030   73.234   8.7999   24.885   1.3823   23.255   1.4156 1.630142 1.978560 
1 1 1   27    5   -3 o   55.599   0.9328  415.971   13.930  435.535   20.032  397.651   19.384   56.835   1.3122   54.305   1.3290 2.530811 1.867660 
1 1 1   27    5   -2 o   25.227   1.0397   85.680   7.0450   80.443   10.823   89.531   9.2806   24.341   1.6654   25.732   1.3475 -1.390179 2.142236 
1 1 1   27    5   -1 f   53.149   0.8441  379.971   12.050  396.866   17.170  363.573   16.915   54.276   1.1778   51.944   1.2124 2.331352 1.690293 
1 1 1   27    5    0 o   24.550   1.0862   81.155   7.1622   84.207   11.142   79.006   9.3498   24.906   1.6754   24.155   1.4478 0.7512703 2.214297 
1 1 1   27    5    1 f   7.3706   2.4734   6.9535   5.7758   10.097   8.6347   4.4079   7.7699   8.8989   3.0240   7.1796   2.7970 1.719282 4.119199 
1 1 1   27    5    2 o   10.859   2.1040   16.531   5.9152   26.128   9.0150   9.2749   7.8385   13.634   2.5557   8.5182   2.8813 5.115680 3.851398 
1 1 1   27    5    3 o   16.485   1.5523   37.018   6.7921   33.065   10.460   39.900   8.9311   15.363   2.6295   17.047   1.9880 -1.683526 3.296363 
1 1 1   27    5    4 o   43.727   0.8305  257.191   9.7537  246.613   14.510  265.911   13.175   42.773   1.2630   44.434   1.1039 -1.661484 1.677400 
1 1 1   27    5    5 o   29.593   0.9484  117.856   7.5383  115.066   11.337  120.067   10.093   29.199   1.4455   29.845   1.2591 -0.6454372 1.916988 
1 1 1   27    5    6 o   35.182   0.8347  166.505   7.8877  170.032   11.142  162.962   11.168   35.524   1.1677   34.775   1.1957 0.7492256 1.671294 
1 1 1   27    5    7 o   27.046   0.9406   98.450   6.8326   99.461   9.7408   97.470   9.5865   27.155   1.3355   26.882   1.3277 0.2725563 1.883193 
1 1 1   27    5    8 o   39.249   0.8045  207.219   8.4816  198.409   11.815  216.585   12.183   38.374   1.1464   40.095   1.1312 -1.720875 1.610544 
1 1 1   27    5    9 o   49.774   0.7794  333.222   10.419  338.753   14.753  327.717   14.717   50.147   1.0953   49.321   1.1109 0.8257904 1.560091 
1 1 1   27    5   10 o   62.437   0.8269  524.467   13.867  518.819   20.562  529.180   18.782   62.032   1.2341   62.671   1.1158 -0.6390724 1.663724 
1 1 1   27    5   11 f   49.306   0.8298  327.091   10.989  318.114   14.620  338.753   16.662   48.588   1.1203   50.121   1.2377 -1.532780 1.669411 
1 1 1   27    5   12 o   32.367   0.8919  140.996   7.7537  147.243   10.912  134.625   11.020   33.043   1.2295   31.588   1.2988 1.455118 1.788464 
1 1 1   27    5   13 o   14.350   1.6089   28.198   6.0945   27.871   8.4426   28.553   8.8068   14.126   2.3047   14.285   2.3789 -0.1593027 3.312225 
1 1 1   27    5   14 o   26.676   0.9982   95.842   7.1522   95.754   9.8905   95.938   10.355   26.592   1.3896   26.607   1.4545 -0.1518631E-01 2.011578 
1 1 1   27    5   15 o   5.2200   2.2891  -1.4133   6.1504   3.9460   8.5715  -7.1009   8.8302   7.3018   2.9090   5.4865   2.5384 1.815294 3.860781 
1 1 1   27    5   16 o   30.626   0.9698  126.321   7.9776  125.861   10.801  126.873   11.834   30.533   1.3170   30.640   1.4379 -0.1071262 1.949938 
1 1 1   27    5   17 o   47.015   0.8377  297.503   10.578  294.434   14.440  301.058   15.541   46.727   1.1505   47.237   1.2249 -0.5097618 1.680530 
1 1 1   27    5   18 o   32.539   0.9490  142.595   8.2935  136.245   11.330  149.923   12.172   31.762   1.3281   33.314   1.3604 -1.551683 1.901188 
1 1 1   27    5   19 o   44.572   0.8531  267.435   10.213  257.344   13.781  279.733   15.213   43.677   1.1747   45.525   1.2442 -1.847832 1.711108 
1 1 1   27    5   20 o   22.481   1.1844   68.381   7.1263   74.920   9.8896   61.318   10.278   23.469   1.5780   21.174   1.8251 2.295689 2.412687 
1 1 1   27    5   21 o   28.844   1.0249  112.142   7.9406  106.108   10.844  119.118   11.660   27.970   1.4484   29.672   1.4630 -1.701784 2.058717 
1 1 1   27    5   22 o   15.079   2.0414   31.530   8.0551   27.656   10.941   36.116   11.903   13.871   3.0221   15.935   2.8874 -2.064080 4.179726 
1 1 1   27    5   23 o   25.450   1.2008   87.459   8.2087   88.942   11.782   86.060   11.443   25.535   1.7280   25.121   1.7061 0.4141827 2.428324 
1 1 1   27    5   24 o   22.826   1.3621   70.731   8.3127   76.950   13.035   66.468   10.792   23.652   2.0728   22.027   1.8410 1.625072 2.772351 
1 1 1   27    5   25 o   7.6739   2.6757   7.3586   6.7748   0.8172   9.6708   13.663   9.4937   6.9945   2.9662   9.9354   3.1611 -2.940874 4.334838 
1 1 1   27    5   26 o   7.4234   2.6995   6.3908   6.9656   5.6629   9.9607   7.0874   9.7447   8.0278   3.1555   8.2889   3.1574 -0.2611790 4.463856 
1 1 1   27    5   27 o   30.668   1.0407  126.945   8.5725  141.472   12.219  112.862   12.030   32.309   1.4080   28.787   1.5618 3.522205 2.102771 
1 1 1   27    5   28 o   50.542   0.8723  344.326   11.841  359.837   17.165  330.242   16.356   51.572   1.2392   49.407   1.2325 2.164257 1.747788 
1 1 1   27    5   29 o   17.515   1.5669   42.029   7.2934   36.732   10.086   47.836   10.559   16.146   2.3987   18.540   2.1609 -2.393982 3.228509 
1 1 1   27    5   30 o   24.106   1.2794   78.918   8.2538   63.920   12.084   92.036   11.301   21.470   2.1233   25.951   1.6296 -4.481831 2.676529 
1 1 1   27    5   31 o   8.0849   2.8924   8.0252   7.9568   18.154   10.957  -3.2760   11.574   11.201   3.3684   6.9406   3.0875 4.260367 4.569271 
1 1 1   27    5   32 o   6.5546   2.7556   1.2726   8.2314   9.5455   11.110  -8.7958   12.256   9.0927   3.3913   6.4809   2.9957 2.611789 4.524937 
1 1 1   27    5   33 f   26.223   1.2428   93.120   8.7535   83.416   12.748  101.777   12.041   24.600   1.9453   27.281   1.6510 -2.681053 2.551448 
1 1 1   27    5   34 o   11.392   2.4858   18.669   7.3921   23.297   10.008   13.114   10.965   12.625   2.9964   9.8959   3.4067 2.729303 4.536964 
1 1 1   27    5   35 o   37.149   1.0991  186.607   10.967  189.338   13.564  181.453   18.636   37.355   1.3519   36.333   1.9165 1.021255 2.345319 
1 1 1   27    5   36 o   25.075   1.2290   85.201   8.2768   93.410   11.505   76.396   11.916   26.112   1.6489   23.525   1.9021 2.586601 2.517322 
1 1 1   27    5   37 o   13.865   2.0811   27.069   7.5107   25.062   10.245   29.402   11.043   13.052   2.9871   14.155   2.9978 -1.102813 4.231949 
1 1 1   27    5   38 f   5.8494   2.5150  -0.0140   7.1258   3.6637   9.5475  -4.6388   10.707   7.4013   3.0260   6.4141   2.9015 0.9872098 4.192336 
1 1 1   27    5   39 o   8.3101   3.1004   8.2061   9.2872   22.520   13.869  -3.4311   12.505   12.179   3.8139   7.1139   3.1836 5.065218 4.968016 
1 1 1   27    5   40 o   13.467   2.6794   26.680   9.3509   28.532   13.791   25.104   12.722   13.528   3.6922   12.744   3.5728 0.7844372 5.137792 
1 1 1   27    5   41 o   13.691   2.8262   28.006   10.049   23.226   14.874   32.020   13.629   12.160   3.9650   14.296   3.5624 -2.135610 5.330281 
1 1 1   27    5   42 o   26.638   1.5830   98.316   11.275  100.944   17.518   96.457   14.732   26.404   2.5000   26.070   2.1224 0.3343925 3.279379 
1 1 1   27    5   43 o   18.911   1.9479   50.785   9.7523   43.528   14.118   57.409   13.487   16.713   3.2622   19.714   2.6115 -3.000809 4.178719 
1 1 1   27    5   44 o   8.1629   3.2604   7.3855   10.794   27.646   16.490  -7.8028   14.278   12.661   4.1772   6.8745   3.1969 5.786093 5.260113 
1 1 1   27    5   45 o   10.222   3.8810   16.136   14.692   6.6785   18.171   33.990   24.968   9.1766   3.9807   13.181   5.0461 -4.004166 6.427213 
1 1 1   27    6  -38 o   21.718   2.3901   67.040   13.712   44.439   19.131   90.914   19.662   16.668   4.2579   24.964   2.9921 -8.296022 5.204081 
1 1 1   27    6  -37 o   34.789   1.6847  165.977   15.742  162.973   21.830  169.232   22.722   34.035   2.4034   34.650   2.4573 -0.6149864 3.437307 
1 1 1   27    6  -36 o   17.276   2.8066   43.118   12.576   57.745   17.728   28.300   17.843   19.718   3.4742   13.600   4.3344 6.117832 5.554968 
1 1 1   27    6  -35 o   23.469   1.5915   75.479   9.9730   68.716   14.007   82.433   14.202   22.108   2.3974   24.317   2.1982 -2.209517 3.252633 
1 1 1   27    6  -34 o   23.562   1.5616   75.955   9.8264   66.455   13.834   85.629   13.960   21.754   2.4081   24.841   2.1124 -3.086796 3.203274 
1 1 1   27    6  -33 o   16.455   2.0409   37.754   8.8268   29.512   12.287   46.543   12.688   14.131   3.2976   18.072   2.6966 -3.940367 4.259757 
1 1 1   27    6  -32 o   16.985   2.0744   40.219   9.2668   53.885   13.324   27.414   12.897   19.510   2.6078   13.575   3.5110 5.935494 4.373558 
1 1 1   27    6  -31 o   5.9284   2.6318  -2.4347   8.3682   0.9513   11.883  -5.7665   11.787   7.6520   3.2677   6.6743   3.0293 0.9776702 4.455847 
1 1 1   27    6  -30 o   46.426   1.5369  293.224   19.165  307.007   27.561  280.320   26.667   47.202   2.1739   45.089   2.2020 2.113075 3.094303 
1 1 1   27    6  -29 o   13.853   2.5351   27.419   9.0851   34.761   11.521   15.348   14.774   15.529   2.8679   10.896   3.9361 4.632836 4.870093 
1 1 1   27    6  -28 o   18.476   1.8213   47.076   8.9210   45.726   12.512   48.472   12.723   17.941   2.6786   18.497   2.6354 -0.5560951 3.757684 
1 1 1   27    6  -27 o   28.987   1.4968  114.434   11.614  113.413   14.095  116.594   20.499   28.758   1.8344   28.829   2.6779 -0.7149506E-01 3.245910 
1 1 1   27    6  -26 o   20.128   1.7470   55.624   9.3513   47.941   13.423   62.869   13.035   18.353   2.8126   21.239   2.3229 -2.886541 3.647820 
1 1 1   27    6  -25 f   40.243   1.2462  219.088   13.470  199.656   22.764  229.558   16.710   38.050   2.2372   41.123   1.5129 -3.072968 2.700735 
1 1 1   27    6  -24 o   44.104   1.2269  262.990   14.534  255.578   20.016  271.254   21.137   43.339   1.7195   44.633   1.7632 -1.294407 2.462833 
1 1 1   27    6  -23 o   29.890   1.2488  120.779   10.026  120.499   14.543  121.033   13.841   29.689   1.8327   29.781   1.7379 -0.9220505E-01 2.525704 
1 1 1   27    6  -22 f   20.448   1.6833   57.168   9.1626   48.598   13.859   63.822   12.212   18.517   2.8801   21.500   2.1434 -2.982347 3.590153 
1 1 1   27    6  -21 o   42.019   1.0797  238.194   12.185  238.883   16.930  237.453   17.552   41.992   1.5011   41.851   1.5614 0.1407967 2.165929 
1 1 1   27    6  -20 o   55.374   0.9996  413.333   14.867  422.690   21.311  404.462   20.750   55.891   1.4196   54.675   1.4130 1.216553 2.002952 
1 1 1   27    6  -19 o   26.968   1.2568   98.229   9.1038   89.569   13.221  106.038   12.554   25.581   1.9386   27.907   1.6827 -2.326176 2.567053 
1 1 1   27    6  -18 o   9.3647   3.1146   11.652   9.1611   6.9833   16.050   13.909   11.157   9.7777   3.9508   10.228   3.4376 -0.4504528 5.236991 
1 1 1   27    6  -17 o   28.481   1.3049  109.569   9.9818  110.153   15.236  109.130   13.212   28.375   2.0122   28.307   1.7463 0.6857681E-01 2.664263 
1 1 1   27    6  -16 o   45.218   1.0185  275.543   12.370  273.968   17.719  277.041   17.277   45.005   1.4658   45.267   1.4210 -0.2614059 2.041575 
1 1 1   27    6  -15 o   41.181   1.0241  228.531   11.327  238.473   16.170  218.950   15.873   41.999   1.4334   40.236   1.4688 1.762604 2.052305 
1 1 1   27    6  -14 o   26.423   1.4611   94.686   10.329   98.559   12.622   86.835   17.971   26.902   1.7565   24.996   2.7207 1.905767 3.238400 
1 1 1   27    6  -13 o   45.032   0.9707  273.140   11.741  275.633   12.213  242.800   42.604   45.232   1.0053   41.395   3.8770 3.836468 4.005247 
1 1 1   27    6  -12 o   36.381   0.7908  178.096   7.7275  184.642   10.219  169.353   11.809   37.019   1.0277   35.427   1.2411 1.592148 1.611385 
1 1 1   27    6  -11 o   21.439   0.9692   61.902   5.5807   56.792   7.8242   67.193   7.9621   20.451   1.4334   22.268   1.3374 -1.817101 1.960471 
1 1 1   27    6  -10 o   29.665   0.8100  118.410   6.4539  121.379   9.2641  115.611   8.9961   30.004   1.1495   29.284   1.1438 0.7209091 1.621623 
1 1 1   27    6   -9 o   29.315   0.8807  115.675   6.9348  132.962   10.786  103.494   9.0541   31.390   1.2794   27.700   1.2169 3.689791 1.765685 
1 1 1   27    6   -8 o   45.503   0.7765  278.548   9.4907  275.838   13.087  281.554   13.784   45.245   1.0769   45.705   1.1228 -0.4597054 1.555781 
1 1 1   27    6   -7 f   35.657   0.7918  171.046   7.5832  175.351   11.018  167.172   10.453   36.069   1.1373   35.221   1.1049 0.8475533 1.585692 
1 1 1   27    6   -6 o   7.4305   2.3517   7.4224   5.2597   7.0364   7.7208   7.7566   7.1847   7.8377   2.8433   7.9206   2.7558 -0.8297205E-01 3.959691 
1 1 1   27    6   -5 o   44.798   0.7942  269.982   9.5564  264.439   14.161  274.616   12.950   44.288   1.1905   45.149   1.0679 -0.8613625 1.599233 
1 1 1   27    6   -4 o   39.302   0.8423  207.839   8.8911  218.977   14.011  200.331   11.504   40.288   1.2948   38.558   1.1108 1.730225 1.706011 
1 1 1   27    6   -3 o   10.319   2.3487   15.078   6.3633   7.0038   11.387   18.744   7.6734   8.7461   3.3919   11.495   2.5519 -2.748771 4.244657 
1 1 1   27    6   -2 o   6.2493   2.6133   1.0779   7.3417  -9.3950   10.897   9.7831   9.9350   6.0150   2.7957   9.0463   3.2325 -3.031376 4.273752 
1 1 1   27    6   -1 o   47.480   0.9000  303.411   11.477  318.840   17.056  290.643   15.515   48.614   1.3062   46.425   1.2443 2.189583 1.804010 
1 1 1   27    6    0 o   21.077   1.1919   60.077   6.7201   60.132   9.7438   60.028   9.2805   21.005   1.7429   21.001   1.6588 0.3877640E-02 2.406072 
1 1 1   27    6    1 o   27.944   1.0100  105.151   7.5806  120.700   11.961   94.713   9.8002   29.891   1.4898   26.453   1.3841 3.437502 2.033581 
1 1 1   27    6    2 o   8.5033   2.5478   9.9906   6.2770   2.3330   9.8122   15.295   8.1666   7.3704   3.0465   10.393   2.8433 -3.022285 4.167153 
1 1 1   27    6    3 o   27.016   1.0083   98.290   7.3164   85.083   10.084  112.970   10.631   25.049   1.5058   28.930   1.3682 -3.881170 2.034550 
1 1 1   27    6    4 o   10.751   2.2010   16.286   6.1419   15.465   9.1811   16.952   8.2631   10.492   3.0655   10.914   2.8039 -0.4216299 4.154425 
1 1 1   27    6    5 o   22.059   1.1708   65.779   6.9117   59.020   10.340   71.238   9.2932   20.782   1.8725   22.910   1.5189 -2.127825 2.411084 
1 1 1   27    6    6 o   8.0077   2.5307   8.6545   6.0925   17.061   9.5112   2.8052   7.9340   10.973   3.0938   6.8425   2.7732 4.130295 4.154753 
1 1 1   27    6    7 f   36.611   0.8469  180.372   8.3275  170.469   11.768  190.304   11.786   35.552   1.2324   37.571   1.1679 -2.019547 1.697876 
1 1 1   27    6    8 o   6.5352   2.4392   4.4583   5.7494   1.9139   8.1334   6.9997   8.1283   6.7155   2.7745   7.9254   2.9109 -1.209845 4.021369 
1 1 1   27    6    9 o   20.875   1.2626   59.009   7.0460   66.044   10.568   53.380   9.4535   22.000   1.8044   19.764   1.8006 2.236050 2.549163 
1 1 1   27    6   10 o   29.668   0.9889  118.547   7.8798  123.517   10.479  112.081   11.953   30.252   1.2897   28.745   1.5540 1.507530 2.019435 
1 1 1   27    6   11 o   30.989   0.9202  129.301   7.6590  134.663   10.740  123.751   10.926   31.589   1.2658   30.273   1.3437 1.316206 1.845989 
1 1 1   27    6   12 o   66.133   0.8100  588.545   14.387  597.596   20.361  579.519   20.333   66.574   1.1387   65.555   1.1548 1.018387 1.621763 
1 1 1   27    6   13 o   26.956   0.9947   97.890   7.2017  100.268   10.049   95.380   10.326   27.208   1.3796   26.523   1.4551 0.6859303 2.005132 
1 1 1   27    6   14 o   31.398   0.9783  132.798   8.2500  135.874   11.625  129.677   11.710   31.713   1.3648   30.976   1.4075 0.7374153 1.960495 
1 1 1   27    6   15 o   45.198   0.8284  274.961   10.057  278.711   14.061  271.034   14.389   45.458   1.1517   44.820   1.1953 0.6379318 1.659817 
1 1 1   27    6   16 o   29.475   1.0157  117.074   8.0410  131.835   11.678  103.767   11.088   31.231   1.3922   27.654   1.4985 3.577013 2.045359 
1 1 1   27    6   17 o   27.892   1.0773  104.894   8.0705  112.348   11.315   97.177   11.514   28.781   1.4687   26.734   1.6110 2.046679 2.180004 
1 1 1   27    6   18 o   29.199   1.0585  114.946   8.3014  120.408   11.795  109.586   11.685   29.830   1.4722   28.408   1.5372 1.422058 2.128478 
1 1 1   27    6   19 o   13.333   2.0074   24.735   6.9657   28.204   10.123   21.616   9.5998   14.067   2.7778   12.258   2.9511 1.809203 4.052800 
1 1 1   27    6   20 o   11.851   2.3588   19.897   7.2440   15.833   11.076   22.935   9.5757   10.692   3.4158   12.633   2.8854 -1.940804 4.471370 
1 1 1   27    6   21 o   38.885   1.0783  203.979   11.262  195.764   15.754  212.566   16.106   38.004   1.5433   39.608   1.5139 -1.604187 2.161913 
1 1 1   27    6   22 f   19.164   1.5159   50.084   7.7391   52.668   10.459   46.957   11.505   19.543   2.0219   18.344   2.3920 1.199194 3.132016 
1 1 1   27    6   23 o   23.803   1.2101   76.760   7.7113   83.881   10.722   69.131   11.099   24.803   1.6183   22.451   1.8572 2.352064 2.463359 
1 1 1   27    6   24 o   13.942   1.9262   27.011   7.0204   17.499   9.5198   38.352   10.394   11.018   3.0912   16.526   2.4129 -5.507834 3.921385 
1 1 1   27    6   25 f   20.785   1.3929   58.807   7.7314   57.150   10.403   60.851   11.556   20.366   1.9245   20.978   2.0782 -0.6116276 2.832490 
1 1 1   27    6   26 o   12.865   2.0719   23.230   6.9159   14.771   9.2695   33.852   10.387   10.194   3.1055   15.431   2.5983 -5.237443 4.049144 
1 1 1   27    6   27 o   23.912   1.2676   77.636   8.1126   68.664   10.570   90.496   12.655   22.365   1.7742   25.672   1.8477 -3.306913 2.561607 
1 1 1   27    6   28 o   18.252   1.5849   45.660   7.6924   39.692   10.114   53.847   11.847   16.816   2.2997   19.632   2.2898 -2.815989 3.245278 
1 1 1   27    6   29 o   15.396   1.8835   32.897   7.6264   34.559   10.019   30.609   11.759   15.614   2.4714   14.471   3.1174 1.142428 3.978215 
1 1 1   27    6   30 o   31.294   1.0426  132.302   8.7628  144.466   12.194  119.310   12.602   32.625   1.3915   29.559   1.5931 3.065680 2.115267 
1 1 1   27    6   31 o   26.498   1.4287   95.634   10.131   99.727   12.841   88.886   16.485   26.956   1.7837   25.194   2.4679 1.762407 3.045022 
1 1 1   27    6   32 o   23.864   1.4341   77.632   9.1492   78.033   12.452   77.161   13.488   23.772   1.9679   23.575   2.1540 0.1974792 2.917565 
1 1 1   27    6   33 o   18.671   1.6776   47.936   8.3233   47.530   12.149   48.295   11.426   18.325   2.5363   18.541   2.3471 -0.2159576 3.455697 
1 1 1   27    6   34 o   10.089   2.8750   14.733   8.1684   14.828   11.790   14.644   11.327   10.383   3.5336   10.288   3.4637 0.9418488E-01 4.948066 
1 1 1   27    6   35 o   34.901   1.0812  164.791   10.136  150.415   13.134  185.958   15.937   33.241   1.4711   36.912   1.6075 -3.671181 2.179028 
1 1 1   27    6   36 o   13.631   2.1683   26.317   7.6723   24.982   10.423   27.896   11.334   12.998   3.0399   13.713   3.1444 -0.7148819 4.373612 
1 1 1   27    6   37 o   39.640   0.9629  212.488   10.252  206.361   14.189  219.181   14.829   38.933   1.3569   40.116   1.3763 -1.183300 1.932707 
1 1 1   27    6   38 o   21.832   1.6149   65.736   9.4022   58.933   12.960   73.295   13.662   20.335   2.4204   22.782   2.2626 -2.447174 3.313219 
1 1 1   27    6   39 o   11.736   2.7843   20.553   8.6441   26.435   12.002   14.213   12.460   13.100   3.3863   10.096   3.6187 3.003609 4.956059 
1 1 1   27    6   40 o   21.656   1.8357   65.636   10.577   57.116   17.075   70.941   13.473   19.273   3.4239   22.281   2.2836 -3.008314 4.115578 
1 1 1   27    6   41 o   10.694   3.0575   17.583   9.2227   9.3212   13.367   25.088   12.741   9.0944   3.6297   12.522   3.5977 -3.427194 5.110618 
1 1 1   27    6   42 o   10.232   3.2326   16.250   9.9413   20.717   15.640   13.221   12.878   11.365   4.0563   9.6885   3.6437 1.676978 5.452527 
1 1 1   27    6   43 o   8.5572   3.4862   7.9046   12.616 -10.1304   18.027   25.216   17.661   7.5211   3.5283   12.088   4.3109 -4.567111 5.570687 
1 1 1   27    6   44 o   8.6609   3.5403   8.6051   13.064 -12.9202   18.556   29.763   18.397   7.3301   3.4810   12.720   4.4107 -5.389481 5.618871 
1 1 1   27    7  -37 o   9.9779   4.0991   9.1768   17.624   0.0000   0.0000   9.1768   17.624  ?   ?    9.9779   4.0991 0.000000 4.099074 
1 1 1   27    7  -36 o   20.518   2.4883   60.047   13.432   60.741   19.438   59.413   18.584   19.934   3.7685   19.795   3.6291 0.1389294 5.231856 
1 1 1   27    7  -35 o   32.182   1.7531  142.576   15.096  158.607   21.728  127.616   20.990   33.582   2.4252   29.985   2.6329 3.597103 3.579652 
1 1 1   27    7  -34 o   33.630   1.2464  153.469   11.259  158.189   16.025  148.868   15.822   33.926   1.7647   32.894   1.7976 1.031418 2.519025 
1 1 1   27    7  -33 o   15.817   2.1909   35.203   9.0580   30.982   12.767   39.481   12.854   14.425   3.3580   16.462   3.0183 -2.037086 4.515155 
1 1 1   27    7  -32 o   9.2210   3.0317   11.731   8.6889   8.5061   12.213   15.036   12.364   9.0622   3.5133   10.490   3.6172 -1.427877 5.042543 
1 1 1   27    7  -31 o   34.099   1.2217  157.514   11.189  166.001   16.084  149.555   15.576   34.859   1.7179   33.028   1.7622 1.830498 2.460938 
1 1 1   27    7  -30 o   51.577   1.0688  359.609   14.807  358.117   21.021  361.079   20.860   51.295   1.5258   51.515   1.5076 -0.2198257 2.144938 
1 1 1   27    7  -29 o   9.5253   3.2216   12.300   9.8000   13.790   17.389   11.606   11.863   10.950   4.2066   9.6629   3.5216 1.286975 5.486078 
1 1 1   27    7  -28 o   7.0514   2.9709   1.5190   9.6004   5.3053   11.608  -6.6772   17.079   8.3244   3.3612   8.1061   3.6660 0.2182617 4.973629 
1 1 1   27    7  -27 o   48.839   1.2782  323.254   16.767  329.238   23.243  316.763   24.210   49.090   1.7628   48.097   1.8741 0.9923897 2.572862 
1 1 1   27    7  -26 f   48.067   1.1585  312.549   14.956  303.246   19.436  326.057   23.420   47.218   1.5325   48.851   1.7849 -1.633823 2.352559 
1 1 1   27    7  -25 o   28.023   1.6329  107.294   12.237  119.388   15.799   89.161   19.346   29.439   2.0101   25.058   2.9298 4.381025 3.553039 
1 1 1   27    7  -24 o   23.272   1.8248   74.396   11.315   73.830   18.599   74.728   14.256   22.706   3.1331   23.167   2.3224 -0.4607925 3.899945 
1 1 1   27    7  -23 o   29.997   1.3966  121.988   11.252  141.445   20.173  113.200   13.557   31.939   2.3685   28.764   1.7633 3.174959 2.952789 
1 1 1   27    7  -22 o   24.562   1.4241   82.050   9.3549   84.446   13.707   79.961   12.799   24.746   2.0816   24.101   1.9951 0.6447773 2.883341 
1 1 1   27    7  -21 o   37.752   1.1044  192.439   11.199  188.385   16.069  196.267   15.616   37.241   1.6065   38.032   1.5287 -0.7914963 2.217600 
1 1 1   27    7  -20 o   67.833   1.0196  620.676   18.577  611.456   26.319  629.829   26.224   67.173   1.4588   68.186   1.4319 -1.012863 2.044072 
1 1 1   27    7  -19 o   7.7283   2.8302   6.8218   7.6755   0.4735   11.243   12.363   10.504   7.4433   3.1785   9.7199   3.3350 -2.276553 4.607115 
1 1 1   27    7  -18 o   42.872   1.0472  247.911   12.059  233.174   16.934  263.070   17.175   41.480   1.5200   44.077   1.4508 -2.596733 2.101213 
1 1 1   27    7  -17 o   63.377   1.1737  542.270   19.980  520.709   34.850  552.826   24.386   61.749   2.1013   63.913   1.4205 -2.164898 2.536401 
1 1 1   27    7  -16 o   38.081   1.1364  195.689   11.623  198.307   17.905  193.781   15.281   38.211   1.7446   37.827   1.5040 0.3841324 2.303397 
1 1 1   27    7  -15 o   21.693   1.4301   63.939   8.2859   60.495   11.909   67.170   11.536   20.946   2.1472   22.127   1.9614 -1.181738 2.908166 
1 1 1   27    7  -14 o   40.954   0.8242  225.789   9.0660  226.162   11.095  225.039   15.727   40.964   1.0084   40.787   1.4357 0.1769981 1.754417 
1 1 1   27    7  -13 o   5.8485   2.2058   3.4373   4.7266   4.0333   5.3534   1.3300   10.066   6.2619   2.3504   7.2390   3.0456 -0.9770460 3.847072 
1 1 1   27    7  -12 o   44.938   0.8231  271.822   9.9348  285.313   14.297  259.225   13.816   45.987   1.1575   43.832   1.1735 2.155640 1.648285 
1 1 1   27    7  -11 o   20.326   1.3232   56.042   7.1846   55.702   7.7406   58.160   19.305   20.246   1.4327   20.068   3.7184 0.1780376 3.984816 
1 1 1   27    7  -10 o   23.307   1.0393   73.211   6.5062   71.099   8.2761   76.628   10.527   22.901   1.3515   23.722   1.6627 -0.8212090 2.142678 
1 1 1   27    7   -9 o   40.012   0.8542  215.520   9.1797  217.974   13.187  213.213   12.787   40.189   1.2216   39.752   1.1976 0.4375420 1.710722 
1 1 1   27    7   -8 f   32.179   0.8458  139.385   7.3100  145.566   10.090  132.558   10.605   32.853   1.1435   31.337   1.2600 1.516327 1.701474 
1 1 1   27    7   -7 o   40.785   0.7713  223.819   8.4492  213.596   12.033  233.760   11.866   39.800   1.1257   41.646   1.0608 -1.845722 1.546777 
1 1 1   27    7   -6 o   34.704   0.8144  162.077   7.5909  153.074   10.694  171.221   10.777   33.687   1.1819   35.635   1.1259 -1.948177 1.632394 
1 1 1   27    7   -5 o   32.166   0.8371  139.255   7.2323  141.199   10.324  137.381   10.135   32.354   1.1880   31.914   1.1824 0.4397392 1.676110 
1 1 1   27    7   -4 o   11.454   2.0076   18.343   5.9511   15.571   9.5263   20.117   7.6212   10.527   3.1351   11.917   2.4625 -1.389413 3.986615 
1 1 1   27    7   -3 o   27.237   1.0021   99.934   7.3308  112.502   10.033   85.539   10.738   28.869   1.2939   25.088   1.6018 3.780178 2.059153 
1 1 1   27    7   -2 o   6.4066   2.4196   4.1127   5.6920   11.256   8.2849  -2.2739   7.8336   9.1462   2.9576   5.7932   2.5603 3.352930 3.911823 
1 1 1   27    7   -1 o   29.885   0.9626  120.286   7.7269  119.893   10.600  120.731   11.288   29.799   1.3243   29.893   1.4059 -0.9383774E-01 1.931446 
1 1 1   27    7    0 o   30.642   0.9703  126.455   7.9857  118.345   11.984  132.934   10.710   29.543   1.5153   31.384   1.2706 -1.840847 1.977499 
1 1 1   27    7    1 o   28.959   1.1296  113.065   8.7863  111.906   11.548  114.658   13.539   28.729   1.5019   29.033   1.7443 -0.3043461 2.301774 
1 1 1   27    7    2 o   23.056   1.2313   71.924   7.5975   79.196   12.013   67.077   9.8082   24.084   1.8718   22.195   1.6572 1.889044 2.500000 
1 1 1   27    7    3 o   15.215   1.6557   31.711   6.6568   29.050   10.323   33.605   8.7096   14.306   2.7867   15.570   2.1392 -1.263950 3.513134 
1 1 1   27    7    4 o   41.614   0.8827  233.128   9.8660  242.522   15.501  226.731   12.791   42.373   1.3620   41.003   1.1615 1.370560 1.789986 
1 1 1   27    7    5 o   11.077   2.2811   17.341   6.5608   17.117   10.205   17.498   8.5655   11.005   3.2367   11.068   2.8606 -0.6307030E-01 4.319674 
1 1 1   27    7    6 o   37.439   0.9401  188.768   9.4535  180.067   14.958  194.555   12.199   36.483   1.5265   37.976   1.1960 -1.493099 1.939165 
1 1 1   27    7    7 o   46.552   0.8810  291.749   11.015  290.720   17.408  292.435   14.226   46.382   1.3973   46.568   1.1373 -0.1854210 1.801671 
1 1 1   27    7    8 f   43.250   0.9539  251.948   11.082  268.359   19.961  244.636   13.323   44.502   1.6700   42.587   1.1648 1.914639 2.036046 
1 1 1   27    7    9 o   54.216   0.8782  395.749   12.788  392.729   17.705  399.042   18.491   53.946   1.2219   54.368   1.2663 -0.4220352 1.759726 
1 1 1   27    7   10 o   29.126   1.0079  114.314   7.8846  121.432   11.339  107.650   10.972   29.972   1.4085   28.177   1.4547 1.794783 2.024833 
1 1 1   27    7   11 o   24.646   1.1075   81.909   7.3311   81.563   10.379   82.255   10.356   24.491   1.5864   24.597   1.5759 -0.1060696 2.236078 
1 1 1   27    7   12 o   32.967   0.9304  146.385   8.2379  145.573   11.719  147.178   11.583   32.825   1.3292   33.009   1.3064 -0.1838226 1.863737 
1 1 1   27    7   13 o   42.450   0.9081  242.694   10.354  234.243   15.030  250.326   14.283   41.634   1.3441   43.060   1.2350 -1.426426 1.825302 
1 1 1   27    7   14 o   16.592   1.5122   37.573   6.6653   33.689   9.1809   41.903   9.6922   15.544   2.2656   17.404   2.1169 -1.860484 3.100743 
1 1 1   27    7   15 o   39.214   0.8686  207.072   9.1486  216.547   12.854  197.346   13.023   40.052   1.1949   38.223   1.2686 1.829456 1.742727 
1 1 1   27    7   16 o   37.197   0.8897  186.364   8.8891  189.974   12.513  182.686   12.630   37.504   1.2422   36.771   1.2788 0.7326431 1.782831 
1 1 1   27    7   17 o   13.407   1.9358   24.968   6.7692   32.399   9.4366   17.091   9.7156   15.195   2.3912   10.938   3.1414 4.257076 3.947926 
1 1 1   27    7   18 o   31.272   1.0464  131.902   8.7891  151.742   12.810  114.255   12.081   33.480   1.4245   28.989   1.5573 4.491352 2.110579 
1 1 1   27    7   19 o   48.779   0.9205  320.653   12.060  301.540   16.961  340.194   17.150   47.213   1.3375   50.165   1.2729 -2.952095 1.846379 
1 1 1   27    7   20 o   21.898   1.5389   65.356   8.9938   73.953   11.769   53.285   13.945   23.214   1.9043   19.437   2.7477 3.776752 3.343062 
1 1 1   27    7   21 o   29.207   1.0633  115.139   8.3411  115.100   11.202  115.187   12.497   29.144   1.4310   29.078   1.6063 0.6567383E-01 2.151267 
1 1 1   27    7   22 o   26.959   1.1165   98.169   8.0848  106.924   10.830   87.147   12.151   28.046   1.4426   25.222   1.8056 2.823503 2.311130 
1 1 1   27    7   23 o   48.959   0.9223  323.239   12.129  323.436   15.539  322.933   19.402   48.909   1.1829   48.777   1.4810 0.1316872 1.895403 
1 1 1   27    7   24 o   22.490   1.4412   68.918   8.6598   63.553   10.893   78.134   14.276   21.476   1.9083   23.712   2.2693 -2.236164 2.964966 
1 1 1   27    7   25 o   43.667   0.9091  257.198   10.663  255.379   14.305  259.472   15.995   43.435   1.2262   43.742   1.3614 -0.3066216 1.832181 
1 1 1   27    7   26 f   36.580   1.0246  180.726   10.066  169.969   12.632  199.440   16.662   35.406   1.3284   38.264   1.6212 -2.857792 2.095926 
1 1 1   27    7   27 o   62.979   0.9375  535.282   15.858  522.844   20.106  555.758   25.796   62.145   1.2046   63.928   1.5023 -1.783718 1.925623 
1 1 1   27    7   28 o   12.582   2.4324   22.650   7.9226   22.430   10.190   22.988   12.598   12.361   3.0802   12.460   3.5768 -0.9911537E-01 4.720317 
1 1 1   27    7   29 o   38.715   0.9618  202.356   10.001  194.251   13.318  212.838   15.145   37.846   1.3102   39.580   1.4247 -1.734062 1.935510 
1 1 1   27    7   30 o   13.347   2.2738   25.262   7.8593   20.206   10.189   32.690   12.350   11.727   3.1624   14.921   3.1788 -3.193783 4.483902 
1 1 1   27    7   31 o   12.063   2.3539   20.810   7.3530   27.957   10.206   13.095   10.603   13.880   2.8334   9.8260   3.3509 4.054167 4.388237 
1 1 1   27    7   32 o   21.461   1.3726   62.799   7.8704   69.056   10.881   55.935   11.397   22.383   1.8259   20.025   2.1528 2.357170 2.822847 
1 1 1   27    7   33 o   33.188   1.1379  149.126   10.143  156.486   14.515  142.103   14.180   33.865   1.5958   32.216   1.6443 1.649067 2.291306 
1 1 1   27    7   34 o   18.236   1.7671   45.993   8.5469   57.186   12.562   36.346   11.662   20.139   2.3676   15.821   2.8493 4.317809 3.704550 
1 1 1   27    7   35 o   7.0698   2.8057   4.3002   7.9453   9.3981   11.569  -0.2504   10.931   9.0522   3.4422   7.1158   3.0871 1.936374 4.623703 
1 1 1   27    7   36 o   15.504   2.0637   33.895   8.3802   22.113   12.353   43.941   11.407   12.073   3.5639   17.510   2.4960 -5.437285 4.351021 
1 1 1   27    7   37 o   6.1461   2.7398  -2.4436   9.1657   8.3132   13.912 -10.6940   12.184   9.1898   3.6905   6.1540   2.8913 3.035756 4.688257 
1 1 1   27    7   38 o   22.807   1.6085   71.985   9.7900   66.640   13.782   77.428   13.909   21.541   2.4243   23.338   2.2466 -1.797813 3.305238 
1 1 1   27    7   39 o   18.057   1.9685   46.146   9.3926   40.500   13.406   51.589   13.163   16.264   3.1829   18.710   2.6974 -2.445871 4.172162 
1 1 1   27    7   40 o   19.139   2.1304   52.493   10.766   58.668   14.037   43.672   16.776   19.888   2.6975   16.303   3.8861 3.584671 4.730587 
1 1 1   27    7   41 o   17.772   2.5685   46.961   11.905   50.186   15.270   41.965   19.008   17.848   3.3072   15.402   4.3844 2.445773 5.491878 
1 1 1   27    7   42 o   8.3316   3.4883   6.2757   13.102   6.9618   19.779   5.7392   17.490   9.4658   4.1292   8.9915   3.9030 0.4742908 5.681819 
1 1 1   27    7   43 o   9.0558   3.7090   10.149   14.375   22.947   17.556 -15.8800   25.038   11.425   4.2627   8.2493   3.9520 3.175467 5.812825 
1 1 1   27    8  -36 o   9.9111   4.5587  -7.6540   27.885   0.0000   0.0000  -7.6540   27.885  ?   ?    9.9111   4.5587 0.000000 4.558704 
1 1 1   27    8  -35 o   18.169   2.7538   48.061   13.017   44.158   17.946   52.395   18.910   16.704   4.0433   18.284   3.9647 -1.580212 5.662798 
1 1 1   27    8  -34 o   39.946   1.5610  218.368   16.748  195.679   23.749  240.812   23.621   37.287   2.3838   41.572   2.1225 -4.284847 3.191829 
1 1 1   27    8  -33 o   23.008   1.8043   73.168   11.061  102.710   18.133   55.664   13.958   26.937   2.5362   19.691   2.7110 7.245380 3.712380 
1 1 1   27    8  -32 o   6.7762   2.8276   1.9861   8.5687  -4.2280   11.819   8.8714   12.441   6.8426   3.0762   9.1407   3.5453 -2.298077 4.693831 
1 1 1   27    8  -31 o   21.034   1.7010   60.887   9.5276   57.225   13.620   64.397   13.333   20.075   2.5862   21.406   2.3581 -1.331015 3.499822 
1 1 1   27    8  -30 o   8.6466   3.3163   7.9729   10.796   17.354   14.832  -2.5974   15.744   11.249   3.9570   8.1934   3.6249 3.055941 5.366391 
1 1 1   27    8  -29 o   7.2482   2.9069   4.0612   8.6181   7.8350   12.229   0.3379   12.147   8.9324   3.5009   7.6136   3.2787 1.318826 4.796455 
1 1 1   27    8  -28 o   12.021   3.1348   21.291   10.226   46.970   17.935   8.9200   12.448   17.628   3.8920   9.1934   3.5518 8.434887 5.269004 
1 1 1   27    8  -27 o   45.734   1.1248  283.011   13.817  286.166   18.932  279.416   20.212   45.840   1.5376   45.243   1.6633 0.5972862 2.265171 
1 1 1   27    8  -26 o   42.649   1.2746  246.609   14.601  250.022   17.451  238.643   26.662   42.859   1.5159   41.392   2.4086 1.467678 2.845958 
1 1 1   27    8  -25 o   39.540   1.1418  211.536   12.125  219.159   17.085  203.798   17.212   40.107   1.5860   38.650   1.6580 1.456821 2.294423 
1 1 1   27    8  -24 o   57.712   1.1861  450.847   18.386  441.530   22.738  468.445   31.249   56.985   1.4856   58.410   1.9919 -1.424911 2.484866 
1 1 1   27    8  -23 o   89.299   1.1355  1078.50   27.234  1052.89   38.011  1105.52   39.039   87.921   1.6096   90.089   1.6134 -2.167419 2.279005 
1 1 1   27    8  -22 o   19.262   1.8050   51.106   9.2294   34.697   13.221   66.702   12.890   15.374   3.3004   21.897   2.2224 -6.523431 3.978919 
1 1 1   27    8  -21 o   12.151   2.9599   21.497   9.5707   19.494   16.072   22.598   11.913   11.904   4.1230   12.402   3.4505 -0.4978714 5.376282 
1 1 1   27    8  -20 o   67.122   1.0375  608.244   18.704  609.038   26.717  607.481   26.194   66.982   1.4851   66.909   1.4575 0.7253265E-01 2.080823 
1 1 1   27    8  -19 o   8.0391   2.9283   7.5874   8.2015   8.5505   11.872   6.7081   11.343   9.0717   3.4780   8.5777   3.3687 0.4939394 4.841972 
1 1 1   27    8  -18 o   57.873   1.0049  451.847   15.621  443.460   22.332  459.882   21.858   57.192   1.4538   58.262   1.3968 -1.070488 2.016055 
1 1 1   27    8  -17 o   28.501   1.2518  109.831   9.5826  113.067   14.046  107.015   13.106   28.752   1.8284   27.989   1.7522 0.7622528 2.532420 
1 1 1   27    8  -16 o   15.648   2.1945   34.163   8.9700   32.596   14.618   35.108   11.360   14.880   3.6786   15.698   2.7968 -0.8183603 4.621042 
1 1 1   27    8  -15 o   31.778   1.3670  136.656   11.668  116.049   21.536  145.217   13.882   28.807   2.8195   32.717   1.5797 -3.909956 3.231914 
1 1 1   27    8  -14 o   15.923   1.2651   34.480   5.3662   35.182   6.2394   32.486   10.518   16.052   1.4632   15.129   2.6867 0.9231234 3.059338 
1 1 1   27    8  -13 o   11.844   1.6526   19.394   5.1139   15.036   7.4171   23.343   7.0605   10.251   2.6680   12.914   2.1083 -2.662749 3.400448 
1 1 1   27    8  -12 o   15.773   1.2468   33.815   5.2389   39.026   7.1494   27.772   7.6990   16.892   1.5946   14.117   2.0939 2.774653 2.631965 
1 1 1   27    8  -11 o   27.802   0.8617  104.092   6.4347  111.079   8.9016   96.447   9.3124   28.688   1.1552   26.715   1.2978 1.973577 1.737523 
1 1 1   27    8  -10 o   33.417   0.9280  150.442   8.3293  151.336   11.436  149.431   12.156   33.469   1.2721   33.244   1.3614 0.2256660 1.863252 
1 1 1   27    8   -9 o   16.334   1.3676   36.322   5.9448   38.684   7.8719   33.186   9.0690   16.786   1.7728   15.425   2.2557 1.361478 2.868924 
1 1 1   27    8   -8 o   45.824   0.7691  282.593   9.4659  285.340   13.450  279.897   13.325   45.997   1.0887   45.556   1.0890 0.4408836 1.539830 
1 1 1   27    8   -7 o   52.483   0.7948  370.740   11.204  357.872   15.153  386.262   16.642   51.512   1.0952   53.503   1.1581 -1.990822 1.593937 
1 1 1   27    8   -6 o   80.950   0.9261  882.681   20.135  879.473   25.921  887.562   31.971   80.722   1.1955   80.988   1.4697 -0.2667007 1.894590 
1 1 1   27    8   -5 o   31.252   1.0392  131.663   8.7232  129.847   12.155  133.591   12.526   30.979   1.4609   31.419   1.4843 -0.4396343 2.082604 
1 1 1   27    8   -4 o   14.966   1.5813   30.671   6.2603   37.248   8.5863   23.207   9.1471   16.427   1.9863   12.746   2.7524 3.681423 3.394300 
1 1 1   27    8   -3 o   25.709   1.0660   89.113   7.3613   87.090   9.9393   91.570   10.956   25.330   1.4672   25.954   1.5791 -0.6238174 2.155520 
1 1 1   27    8   -2 o   20.788   1.1627   58.486   6.4657   59.792   9.2580   57.242   9.0338   20.937   1.6599   20.484   1.6561 0.4534931 2.344785 
1 1 1   27    8   -1 o   6.7351   2.4984   4.8805   6.0136   7.0959   8.8435   2.9749   8.2019   8.1075   3.0253   6.9530   2.8191 1.154510 4.135158 
1 1 1   27    8    0 o   17.824   1.4433   43.244   6.8502   47.816   9.7345   38.760   9.6414   18.645   1.9739   16.713   2.2013 1.931171 2.956686 
1 1 1   27    8    1 o   23.658   1.0897   75.475   6.9241   77.309   9.6043   73.491   9.9916   23.853   1.5068   23.235   1.6110 0.6182690 2.205837 
1 1 1   27    8    2 o   10.400   2.4940   15.416   6.8768   12.112   9.8096   18.608   9.6432   9.5859   3.2233   11.393   3.0783 -1.807327 4.457123 
1 1 1   27    8    3 o   18.592   1.6202   47.188   8.0099   64.135   11.966   33.429   10.782   21.595   2.0891   15.373   2.7103 6.222120 3.422036 
1 1 1   27    8    4 o   22.268   1.2583   67.166   7.4950   75.605   10.815   59.368   10.397   23.545   1.7221   20.816   1.8798 2.728685 2.549344 
1 1 1   27    8    5 o   73.176   0.8747  721.038   17.192  732.971   25.664  711.323   23.155   73.661   1.2972   72.600   1.1875 1.061493 1.758626 
1 1 1   27    8    6 o   8.4251   2.5586   9.8230   6.2993   16.103   8.8599   3.4037   8.9579   10.631   2.9820   7.2876   2.9491 3.342917 4.193995 
1 1 1   27    8    7 o   29.134   1.1550  114.525   9.0382  131.244   15.319  105.598   11.194   31.021   1.8469   27.891   1.4998 3.130337 2.379219 
1 1 1   27    8    8 o   51.981   0.9050  363.944   12.636  349.399   17.637  379.284   18.113   50.855   1.2912   52.990   1.2726 -2.134830 1.812957 
1 1 1   27    8    9 o   43.220   0.8814  251.562   10.232  256.387   15.264  247.626   13.788   43.559   1.3047   42.829   1.1986 0.7301865 1.771659 
1 1 1   27    8   10 o   19.917   1.3758   53.893   7.3148   53.425   11.194   54.242   9.6634   19.666   2.1544   19.894   1.8290 -0.2277527 2.826056 
1 1 1   27    8   11 o   18.577   1.3637   46.912   6.7565   40.516   9.4033   53.739   9.7146   17.109   2.0897   19.795   1.8486 -2.685457 2.789984 
1 1 1   27    8   12 o   16.885   1.5394   38.945   6.9049   34.220   9.5773   44.060   9.9642   15.636   2.3534   17.841   2.1209 -2.205630 3.168074 
1 1 1   27    8   13 o   49.998   0.8107  336.573   10.887  339.362   15.197  333.634   15.603   50.145   1.1283   49.711   1.1686 0.4339256 1.624436 
1 1 1   27    8   14 o   5.1105   2.2634  -1.9082   6.1546  -1.6587   8.4176  -2.1947   9.0216   6.1129   2.6794   6.2529   2.7563 -0.1399760 3.843992 
1 1 1   27    8   15 o   13.224   1.9537   24.338   6.7302   29.228   9.1008   18.437   9.9982   14.393   2.4414   11.317   3.1654 3.076404 3.997532 
1 1 1   27    8   16 o   29.552   1.0766  117.857   8.5451  123.663   11.237  109.897   13.158   30.223   1.3843   28.376   1.7348 1.847519 2.219393 
1 1 1   27    8   17 o   15.146   1.9287   31.783   7.6678   36.445   10.528   26.515   11.190   16.075   2.5212   13.509   3.1432 2.566271 4.029396 
1 1 1   27    8   18 o   14.889   1.8665   30.688   7.3003   33.112   9.4755   27.147   11.451   15.342   2.3763   13.653   3.1817 1.689147 3.971154 
1 1 1   27    8   19 o   57.416   1.0352  444.948   15.964  430.627   19.801  471.544   26.985   56.401   1.3071   58.855   1.7070 -2.453735 2.150017 
1 1 1   27    8   20 o   31.331   1.0948  132.607   9.2128  138.037   11.700  123.748   14.945   31.915   1.3650   30.047   1.8610 1.867899 2.307866 
1 1 1   27    8   21 o   27.740   1.1639  104.056   8.6716  107.707   10.987   98.025   14.121   28.131   1.4592   26.680   1.9848 1.450205 2.463433 
1 1 1   27    8   22 o   35.343   1.0274  168.689   9.7529  163.786   12.297  177.003   16.012   34.763   1.3170   36.043   1.6540 -1.280575 2.114305 
1 1 1   27    8   23 o   18.643   1.5650   47.621   7.7641   52.069   10.198   41.489   11.974   19.387   1.9866   17.054   2.7045 2.333193 3.355680 
1 1 1   27    8   24 o   24.896   1.2045   83.920   8.0546   80.896   10.772   87.756   12.131   24.301   1.6603   25.272   1.7989 -0.9717197 2.447949 
1 1 1   27    8   25 o   43.374   0.9144  253.872   10.653  262.843   14.570  243.568   15.614   44.048   1.2315   42.357   1.3725 1.690323 1.844014 
1 1 1   27    8   26 o   6.5894   2.6434   3.2133   7.1290   4.2172   9.6644   2.0150   10.559   7.5883   3.0659   7.4293   3.1221 0.1589465 4.375726 
1 1 1   27    8   27 o   30.877   1.0738  128.917   8.9055  130.017   12.144  127.638   13.099   30.919   1.4623   30.556   1.6016 0.3623276 2.168763 
1 1 1   27    8   28 o   20.251   1.4397   56.028   7.7800   51.234   10.689   61.428   11.346   19.172   2.1108   21.038   2.0332 -1.866045 2.930758 
1 1 1   27    8   29 o   27.295   1.2594  101.011   9.2329   83.633   11.654  130.313   15.132   24.663   1.7710   30.786   1.8384 -6.123671 2.552698 
1 1 1   27    8   30 o   17.554   1.6598   42.440   7.7329   42.081   10.406   42.884   11.556   17.286   2.2983   17.362   2.5544 -0.7575417E-01 3.436096 
1 1 1   27    8   31 o   14.067   2.0755   27.838   7.6066   23.520   10.331   32.952   11.242   12.621   3.0756   15.051   2.8860 -2.429651 4.217606 
1 1 1   27    8   32 o   24.393   1.3486   81.122   8.8015   84.570   11.747   76.709   13.290   24.773   1.7772   23.456   2.1328 1.317122 2.776250 
1 1 1   27    8   33 o   14.496   2.2294   29.826   8.4022   26.864   11.711   32.968   12.062   13.386   3.2823   14.920   3.1107 -1.534212 4.522147 
1 1 1   27    8   34 o   26.631   1.3399   96.816   9.5537   83.329   13.765  109.352   13.271   24.402   2.1213   28.144   1.7645 -3.741730 2.759207 
1 1 1   27    8   35 o   13.782   2.4103   27.445   8.5974   36.440   12.674   19.778   11.701   15.600   3.1336   11.435   3.4904 4.164985 4.690704 
1 1 1   27    8   36 o   25.277   1.6208   88.307   10.946   86.671   17.279   89.403   14.147   24.461   2.6735   25.189   2.1104 -0.7286243 3.406097 
1 1 1   27    8   37 o   10.439   3.1804   16.552   9.7216   26.674   15.363   9.7923   12.555   12.852   4.0124   9.1128   3.5540 3.738961 5.360028 
1 1 1   27    8   38 o   21.853   1.9381   67.461   11.258   48.247   15.583   88.435   16.281   17.558   3.4275   24.664   2.4919 -7.106337 4.237592 
1 1 1   27    8   39 o   5.4836   2.5906  -9.2596   10.026 -23.4600   14.267   4.5944   14.092   5.6565   2.7720   8.3757   3.5671 -2.719234 4.517600 
1 1 1   27    8   40 o   12.046   4.0408   24.727   15.416   33.921   20.202   11.910   23.853   13.581   4.6253   10.549   4.5685 3.031745 6.501142 
1 1 1   27    8   41 o   9.5480   3.6121   13.562   12.699   13.291   18.107   13.825   17.815   9.9979   4.1359   10.048   4.1237 -0.4974461E-01 5.840432 
1 1 1   27    8   42 o   8.9812   3.5861   10.974   13.054   2.6435   18.833   18.677   18.110   8.6595   3.8889   10.636   4.2311 -1.976278 5.746808 
1 1 1   27    9  -34 o   9.2336   3.5685   10.027   12.569 -12.6420   17.429   34.589   18.142   7.4304   3.4805   14.555   4.3247 -7.124491 5.551297 
1 1 1   27    9  -33 o   12.877   3.9744   25.810   15.123   9.9970   30.261   31.074   17.459   11.895   5.1486   13.967   4.2636 -2.071961 6.684745 
1 1 1   27    9  -32 o   45.616   1.5037  284.396   18.424  255.612   26.167  312.694   25.945   42.706   2.2896   47.491   2.0340 -4.784492 3.062534 
1 1 1   27    9  -31 f   17.560   2.1094   43.297   9.7497   52.382   14.733   36.219   13.004   18.956   2.9931   15.608   3.2092 3.347685 4.388322 
1 1 1   27    9  -30 o   10.465   3.0130   16.038   8.9277  -3.2726   12.518   36.027   12.736   7.1789   3.2009   15.621   3.1443 -8.442244 4.486963 
1 1 1   27    9  -29 o   36.933   1.1684  184.826   11.590  176.319   16.260  193.615   16.526   35.901   1.6862   37.641   1.6346 -1.740452 2.348462 
1 1 1   27    9  -28 o   37.955   1.1618  195.128   11.844  179.622   16.722  210.737   16.777   36.233   1.7183   39.298   1.5895 -3.065300 2.340727 
1 1 1   27    9  -27 o   29.436   1.4267  117.844   11.280  123.108   17.769  114.291   14.598   29.737   2.2412   28.791   1.8984 0.9453621 2.937135 
1 1 1   27    9  -26 o   7.6368   3.0326   4.9980   9.2884  -5.1206   13.813   13.349   12.549   7.3569   3.3148   10.121   3.6312 -2.764200 4.916641 
1 1 1   27    9  -25 o   26.640   1.3936   96.709   9.9372   93.754   14.022   99.690   14.084   26.022   2.0221   26.860   1.9660 -0.8372860 2.820294 
1 1 1   27    9  -24 o   31.911   1.4852  138.600   12.730  124.179   15.099  174.036   23.669   30.030   1.8815   35.243   2.5170 -5.213478 3.142500 
1 1 1   27    9  -23 o   22.704   1.7678   70.928   10.695   69.325   13.020   74.253   18.752   22.298   2.2028   22.662   3.1673 -0.3636456 3.858052 
1 1 1   27    9  -22 o   21.419   1.5987   62.868   9.1309   79.982   12.883   45.593   12.943   24.040   2.0138   17.836   2.7936 6.204445 3.443784 
1 1 1   27    9  -21 o   41.653   1.0705  234.534   11.976  244.298   16.983  224.876   16.891   42.380   1.4920   40.641   1.5474 1.738876 2.149487 
1 1 1   27    9  -20 o   12.539   2.5560   22.611   8.3163   29.119   12.261   17.066   11.318   14.042   3.3058   10.917   3.4491 3.124516 4.777512 
1 1 1   27    9  -19 o   29.562   1.4088  118.624   11.186  117.090   19.063  119.429   13.814   28.955   2.4749   29.528   1.7497 -0.5724144 3.030899 
1 1 1   27    9  -18 o   10.045   3.1264   14.282   9.3353   2.9351   16.532   19.595   11.311   9.1595   3.8809   11.598   3.4067 -2.438966 5.163939 
1 1 1   27    9  -17 o   28.585   1.2555  110.607   9.6393   99.066   14.087  120.768   13.218   26.831   1.9685   29.737   1.6616 -2.905682 2.576052 
1 1 1   27    9  -16 o   40.289   1.0445  219.147   11.302  211.059   16.395  226.472   15.602   39.414   1.5487   40.865   1.4215 -1.451008 2.102173 
1 1 1   27    9  -15 o   36.325   0.9041  177.888   8.8214  181.046   11.032  172.288   14.691   36.608   1.1219   35.620   1.5355 0.9880447 1.901736 
1 1 1   27    9  -14 o   15.496   1.4939   32.869   6.1405   28.334   7.3685   43.176   11.109   14.271   1.9754   17.545   2.4220 -3.274383 3.125427 
1 1 1   27    9  -13 o   25.204   0.9367   85.646   6.3413   77.955   8.7884   93.998   9.1588   23.955   1.3716   26.358   1.2937 -2.403574 1.885481 
1 1 1   27    9  -12 f   43.811   0.8485  258.570   9.9840  274.870   13.821  240.782   14.438   45.114   1.1406   42.194   1.2740 2.919315 1.709993 
1 1 1   27    9  -11 o   6.8154   2.4017   5.6618   5.4664   8.3346   7.8905   3.1952   7.5800   8.1913   2.8856   6.7748   2.7229 1.416502 3.967530 
1 1 1   27    9  -10 o   29.494   0.8724  117.194   6.9111  109.189   9.5064  126.167   10.065   28.422   1.2453   30.555   1.2264 -2.132851 1.747812 
1 1 1   27    9   -9 o   56.107   0.8042  423.888   12.119  422.842   16.193  425.220   18.274   55.979   1.0770   56.101   1.2127 -0.1215515 1.621923 
1 1 1   27    9   -8 o   24.928   1.0275   83.811   6.8800   83.522   9.0032   84.217   10.666   24.810   1.3562   24.862   1.6059 -0.5226898E-01 2.101933 
1 1 1   27    9   -7 o   50.566   0.7871  344.227   10.689  340.983   14.690  347.877   15.584   50.270   1.0880   50.764   1.1430 -0.4932747 1.577997 
1 1 1   27    9   -6 o   26.117   0.9742   91.945   6.8339   99.359   9.7879   84.893   9.5459   27.104   1.3445   25.002   1.4274 2.101587 1.960945 
1 1 1   27    9   -5 o   30.860   0.8808  128.285   7.3007  128.992   10.391  127.596   10.260   30.897   1.2521   30.731   1.2430 0.1662369 1.764313 
1 1 1   27    9   -4 o   30.337   0.9659  124.047   7.8706  123.864   10.381  124.294   12.070   30.274   1.2767   30.293   1.4835 -0.1915359E-01 1.957188 
1 1 1   27    9   -3 o   23.215   1.0776   72.701   6.7192   66.604   9.6623   78.411   9.3503   22.096   1.6397   24.022   1.4561 -1.925493 2.192904 
1 1 1   27    9   -2 o   12.349   1.8748   21.209   6.0233   14.619   8.5450   27.717   8.4917   10.153   2.9549   14.044   2.3330 -3.891439 3.764885 
1 1 1   27    9   -1 o   9.8307   2.4359   13.788   6.3991   15.615   9.1775   12.059   8.9272   10.485   3.0654   9.4327   3.0716 1.051803 4.339497 
1 1 1   27    9    0 o   43.161   0.9051  250.962   10.492  257.155   14.307  243.754   15.434   43.634   1.2208   42.454   1.3535 1.179897 1.822724 
1 1 1   27    9    1 o   55.815   0.8313  419.492   12.463  422.663   16.919  415.731   18.428   55.964   1.1256   55.476   1.2368 0.4886665 1.672258 
1 1 1   27    9    2 o   41.474   0.8631  231.668   9.6149  227.801   12.866  236.558   14.469   41.078   1.1662   41.836   1.2876 -0.7582512 1.737226 
1 1 1   27    9    3 o   18.354   1.5521   45.976   7.5797   49.763   9.6382   39.837   12.271   19.024   1.9122   16.757   2.8270 2.266762 3.412989 
1 1 1   27    9    4 o   44.639   0.9816  268.609   11.770  267.612   15.775  269.861   17.677   44.489   1.3201   44.639   1.4743 -0.1494560 1.978992 
1 1 1   27    9    5 o   19.042   1.8704   49.817   9.4431   39.249   11.710   69.469   15.968   16.662   2.7097   22.271   2.7264 -5.608795 3.843950 
1 1 1   27    9    6 o   41.400   1.1488  231.373   12.774  251.025   17.361  208.176   18.862   43.043   1.5017   39.123   1.7950 3.919510 2.340298 
1 1 1   27    9    7 o   39.067   1.0283  205.830   10.790  211.501   12.639  190.593   20.718   39.573   1.1891   37.298   2.0763 2.275715 2.392705 
1 1 1   27    9    8 o   27.128   1.1608   99.369   8.4580   99.414   10.436   99.281   14.439   27.057   1.4412   26.898   2.0132 0.1585884 2.475918 
1 1 1   27    9    9 o   11.097   2.5548   17.629   7.4570   24.650   10.232   9.6747   10.891   13.066   2.9814   9.1422   3.3677 3.923899 4.497756 
1 1 1   27    9   10 o   24.586   1.2957   81.966   8.5260   65.853   11.807   99.526   12.325   21.867   2.0335   27.007   1.7079 -5.140383 2.655616 
1 1 1   27    9   11 o   14.309   2.2300   28.701   8.2916   30.482   11.531   26.794   11.932   14.530   3.0517   13.555   3.3067 0.9754448 4.499648 
1 1 1   27    9   12 f   12.219   2.4235   21.237   7.6726   22.524   10.460   19.737   11.289   12.452   3.1307   11.692   3.3945 0.7599430 4.617844 
1 1 1   27    9   13 o   9.2959   2.7920   12.164   7.5314   9.1108   9.8942   16.370   11.613   8.7946   3.2144   10.835   3.5014 -2.040246 4.753136 
1 1 1   27    9   14 o   11.189   2.4202   17.893   7.0619   16.732   9.0645   19.686   11.264   10.778   3.0137   11.663   3.3921 -0.8857956 4.537490 
1 1 1   27    9   15 o   30.594   1.0975  126.412   9.0187  119.742   11.193  138.753   15.227   29.723   1.4021   31.857   1.7868 -2.133743 2.271225 
1 1 1   27    9   16 o   16.639   1.5780   37.955   6.9677   40.301   9.5876   35.329   10.143   17.008   2.1466   15.815   2.4686 1.193024 3.271328 
1 1 1   27    9   17 o   17.510   1.5239   41.959   7.0952   46.850   9.8007   36.572   10.285   18.386   2.0178   16.092   2.4576 2.294531 3.179784 
1 1 1   27    9   18 o   20.785   1.5000   58.994   8.3175   56.385   11.433   61.928   12.123   20.143   2.1462   21.113   2.1687 -0.9694939 3.051120 
1 1 1   27    9   19 o   27.134   1.1258   99.554   8.2046   99.437   10.996   99.701   12.323   27.000   1.5225   26.982   1.7092 0.1787949E-01 2.288968 
1 1 1   27    9   20 o   16.306   1.6545   36.607   7.1458   36.285   9.5277   37.020   10.803   16.062   2.2718   16.126   2.5813 -0.6400490E-01 3.438628 
1 1 1   27    9   21 o   18.490   1.5173   46.822   7.4690   39.714   9.9060   56.187   11.370   16.818   2.2493   20.087   2.1405 -3.268972 3.105031 
1 1 1   27    9   22 o   11.336   2.4308   18.489   7.1789   19.313   9.5909   17.439   10.826   11.475   3.0569   10.969   3.3589 0.5060701 4.541667 
1 1 1   27    9   23 o   9.8939   2.6376   14.175   7.1371   14.565   9.5242   13.675   10.779   10.102   3.1601   9.9836   3.3787 0.1184874 4.626156 
1 1 1   27    9   24 o   24.931   1.2209   84.236   8.1756   88.803   11.047   78.705   12.157   25.461   1.6238   23.872   1.9120 1.589188 2.508530 
1 1 1   27    9   25 o   8.9316   2.7478   11.286   7.2351   17.445   9.8468   4.0599   10.666   10.923   3.1699   7.8229   3.1984 3.100320 4.503161 
1 1 1   27    9   26 o   28.453   1.1306  109.590   8.6404  123.873   11.915   93.749   12.548   30.169   1.4705   26.101   1.8009 4.067856 2.324997 
1 1 1   27    9   27 o   23.694   1.3134   76.436   8.3256   58.532   11.331   97.440   12.273   20.502   2.0868   26.637   1.7248 -6.134699 2.707338 
1 1 1   27    9   28 o   4.5734   2.1911 -10.3380   7.6966 -16.5173   9.7189   0.0554   12.605   4.8099   2.3421   7.6881   3.3252 -2.878215 4.067212 
1 1 1   27    9   29 o   12.646   2.3341   22.875   7.6357   23.872   10.227   21.619   11.478   12.716   3.0363   12.051   3.3989 0.6652842 4.557551 
1 1 1   27    9   30 o   23.029   1.4504   72.520   8.9254   64.452   12.531   80.827   12.716   21.450   2.2065   24.136   1.9789 -2.685963 2.963862 
1 1 1   27    9   31 f   24.074   1.4245   79.244   9.1700   68.753   12.658   90.831   13.303   22.162   2.1537   25.587   1.9503 -3.425226 2.905590 
1 1 1   27    9   32 o   4.8152   2.2662  -7.5208   7.5399 -13.0819   10.109  -0.5479   11.319   5.2348   2.5087   7.1666   3.1250 -1.931838 4.007452 
1 1 1   27    9   33 o   22.662   1.4162   70.407   8.5766   56.021   11.344   89.605   13.104   19.931   2.1532   25.360   1.9386 -5.428350 2.897277 
1 1 1   27    9   34 o   17.266   1.9498   41.940   8.8839   26.309   11.444   65.641   14.092   13.111   3.2629   21.364   2.5033 -8.253275 4.112576 
1 1 1   27    9   35 o   21.919   1.8398   67.233   10.731   73.345   13.591   57.114   17.487   22.673   2.2619   19.209   3.5191 3.464058 4.183314 
1 1 1   27    9   36 o   9.1724   3.1933   12.056   9.6475   3.8622   13.985   19.496   13.326   8.3333   3.5515   11.177   3.7569 -2.843923 5.169846 
1 1 1   27    9   37 o   10.740   3.3254   18.092   10.577   3.7817   14.165   36.125   15.901   8.2916   3.5550   14.706   3.9444 -6.414080 5.310017 
1 1 1   27    9   38 o   9.6817   3.5254   13.926   11.885   22.779   19.422   8.6268   15.028   11.725   4.4597   9.0866   3.7641 2.638641 5.835859 
1 1 1   27    9   39 o   11.078   3.7195   20.403   13.062   30.054   19.323   12.282   17.724   12.792   4.5147   9.8614   4.0868 2.930883 6.089684 
1 1 1   27    9   40 o   14.690   3.3701   35.657   13.014   18.668   18.848   51.135   17.992   10.727   4.3000   17.046   3.9986 -6.319489 5.871873 
1 1 1   27   10  -33 o   9.5045   3.9964   7.1025   17.316   7.1025   17.316   0.0000   0.0000   9.5045   3.9964  ?   ?  0.000000 3.996365 
1 1 1   27   10  -32 o   6.1548   2.8714  -8.9259   11.667  -6.5266   17.192 -10.9747   15.886   7.9349   3.6234   7.1812   3.3504 0.7537150 4.934985 
1 1 1   27   10  -31 o   20.151   2.4655   58.102   13.066   42.661   19.015   71.915   17.985   16.272   4.2898   22.068   3.1213 -5.796309 5.305192 
1 1 1   27   10  -30 o   9.8534   3.1791   13.993   9.5767   6.1832   16.011   18.344   11.950   9.3184   3.8748   11.121   3.5474 -1.802769 5.253430 
1 1 1   27   10  -29 o   23.459   1.5538   75.549   9.7350   79.449   13.677   71.545   13.859   23.822   2.1611   22.526   2.3241 1.296934 3.173612 
1 1 1   27   10  -28 o   11.729   2.8325   20.250   8.8227   16.590   12.965   23.408   12.041   10.832   3.7053   12.472   3.4684 -1.640521 5.075356 
1 1 1   27   10  -27 f   33.830   1.2471  155.327   11.332  149.846   16.265  160.497   15.797   32.976   1.8437   34.184   1.7261 -1.208275 2.525611 
1 1 1   27   10  -26 o   37.457   1.1519  190.074   11.588  179.076   16.310  201.286   16.468   36.180   1.6784   38.391   1.5970 -2.211388 2.316776 
1 1 1   27   10  -25 o   8.1486   3.1690   6.6160   9.9607   23.727   18.090  -0.8284   11.932   12.738   4.3763   7.3564   3.2081 5.382003 5.426241 
1 1 1   27   10  -24 f   42.381   1.1073  243.133   12.605  232.140   17.824  254.130   17.827   41.231   1.6095   43.171   1.5374 -1.939896 2.225785 
1 1 1   27   10  -23 o   19.338   1.7814   51.652   9.1486   53.812   13.003   49.536   12.874   19.470   2.5476   18.630   2.6474 0.8405533 3.674069 
1 1 1   27   10  -22 o   21.695   2.2724   65.930   13.045   70.769   13.670   16.570   43.657   22.475   2.2967   14.326   6.1924 8.148865 6.604575 
1 1 1   27   10  -21 o   46.539   1.3349  294.136   16.687  296.462   19.089  286.600   34.361   46.644   1.5236   44.974   2.8594 1.669933 3.239969 
1 1 1   27   10  -20 o   20.307   1.7187   56.776   9.2863   65.535   13.365   48.601   12.912   21.613   2.3397   18.449   2.6845 3.163733 3.561013 
1 1 1   27   10  -19 o   25.460   1.4231   88.392   9.6930   93.638   13.714   83.154   13.702   26.027   1.9765   24.472   2.1052 1.555775 2.887569 
1 1 1   27   10  -18 o   41.427   1.0857  232.104   12.081  229.673   17.453  234.339   16.739   41.049   1.5830   41.494   1.5020 -0.4453697 2.182162 
1 1 1   27   10  -17 o   36.101   1.1211  176.303   10.871  180.073   15.770  172.889   15.006   36.343   1.6156   35.626   1.5682 0.7168884 2.251509 
1 1 1   27   10  -16 o   40.014   1.2143  216.824   13.050  229.595   22.080  209.968   16.179   40.882   2.0108   39.280   1.5335 1.601856 2.528841 
1 1 1   27   10  -15 o   43.295   0.9184  252.904   10.680  243.342   13.922  266.575   16.648   42.393   1.2227   44.315   1.3986 -1.921833 1.857719 
1 1 1   27   10  -14 o   22.079   1.1341   66.087   6.7029   57.884   8.0704   84.330   12.035   20.592   1.4688   24.777   1.8212 -4.184711 2.339699 
1 1 1   27   10  -13 o   17.172   1.2954   40.165   5.9308   40.561   8.2090   39.732   8.5779   17.143   1.8102   16.937   1.9195 0.2061176 2.638386 
1 1 1   27   10  -12 o   10.326   2.2536   15.227   6.0746   16.864   9.4435   14.072   7.9339   10.803   3.0955   9.9071   2.8369 0.8961258 4.198798 
1 1 1   27   10  -11 o   15.281   1.4041   31.921   5.6983   35.085   7.7476   28.193   8.4105   15.929   1.8450   14.140   2.2930 1.788838 2.943120 
1 1 1   27   10  -10 o   11.185   1.9407   17.573   5.6191   18.791   7.3272   15.833   8.7554   11.457   2.4549   10.489   2.9721 0.9681025 3.854880 
1 1 1   27   10   -9 o   15.026   1.4257   30.878   5.6847   29.172   7.9070   32.702   8.1786   14.448   2.0990   15.329   2.0369 -0.8808174 2.924835 
1 1 1   27   10   -8 o   22.129   1.1314   66.325   6.7023   71.345   8.9977   60.068   10.046   22.888   1.4714   20.917   1.8058 1.971384 2.329376 
1 1 1   27   10   -7 o   17.010   1.4470   39.505   6.5480   40.071   8.7987   38.803   9.8030   17.018   1.9608   16.667   2.2471 0.3511353 2.982347 
1 1 1   27   10   -6 o   65.505   0.8239  578.022   14.496  582.244   19.843  573.189   21.229   65.657   1.1252   65.114   1.2138 0.5429153 1.655144 
1 1 1   27   10   -5 o   18.235   1.4229   45.325   6.9138   41.064   9.0476   51.305   10.719   17.225   1.9923   19.247   2.1079 -2.021618 2.900463 
1 1 1   27   10   -4 o   25.552   1.0092   88.079   6.9261   81.502   9.9109   94.357   9.6830   24.465   1.5157   26.362   1.3723 -1.896910 2.044658 
1 1 1   27   10   -3 o   23.350   1.0914   73.604   6.8449   79.117   9.8152   68.384   9.5504   24.102   1.5240   22.384   1.5990 1.717461 2.208969 
1 1 1   27   10   -2 o   43.335   0.8489  252.993   9.8810  256.654   14.641  249.931   13.390   43.567   1.2512   43.013   1.1590 0.5535469 1.705547 
1 1 1   27   10   -1 o   14.575   1.6576   29.228   6.3735   33.771   9.0436   24.745   8.9836   15.542   2.2304   13.158   2.6338 2.383321 3.451297 
1 1 1   27   10    0 o   7.3328   2.5286   6.8068   6.0421  -0.3338   8.6168   13.714   8.4745   6.4119   2.7613   9.8517   2.9623 -3.439777 4.049678 
1 1 1   27   10    1 o   43.323   0.8866  252.920   10.317  259.655   14.584  246.176   14.595   43.824   1.2390   42.663   1.2737 1.160702 1.776939 
1 1 1   27   10    2 o   43.275   0.8281  252.262   9.6252  254.480   13.557  250.006   13.668   43.402   1.1630   43.014   1.1830 0.3876419 1.658919 
1 1 1   27   10    3 o   26.271   1.0382   93.126   7.3256  109.717   10.265   75.911   10.457   28.470   1.3425   23.575   1.6621 4.894623 2.136519 
1 1 1   27   10    4 o   20.631   1.3163   57.828   7.2557   60.050   9.5639   54.815   11.137   20.942   1.7154   19.901   2.1161 1.041327 2.723998 
1 1 1   27   10    5 o   31.884   1.0187  137.159   8.7242  128.476   13.183  143.926   11.637   30.713   1.6036   32.608   1.3287 -1.895224 2.082562 
1 1 1   27   10    6 o   19.610   1.4918   52.454   7.7983   46.751   10.618   59.132   11.491   18.336   2.1999   20.679   2.0979 -2.342962 3.039855 
1 1 1   27   10    7 o   23.245   1.3307   73.389   8.2737   89.300   13.485   63.782   10.478   25.484   1.9858   21.555   1.8270 3.929188 2.698342 
1 1 1   27   10    8 o   14.944   1.8239   30.886   7.1692   35.402   9.3517   24.448   11.165   15.904   2.2522   12.938   3.2245 2.965872 3.933182 
1 1 1   27   10    9 o   9.7544   2.5158   13.648   6.6343   12.121   8.8015   15.658   10.096   9.3978   3.0494   10.510   3.2479 -1.112207 4.455073 
1 1 1   27   10   10 o   13.102   2.5045   24.478   8.4921   46.888   13.759   10.689   10.793   18.113   2.9282   9.3221   3.3648 8.790817 4.460520 
1 1 1   27   10   11 o   5.9485   2.5227   0.5154   6.9962 -12.3345   10.369   11.254   9.4790   5.4574   2.5947   9.2415   3.1682 -3.784036 4.095142 
1 1 1   27   10   12 o   26.866   1.1682   97.600   8.4298  100.870   12.278   94.684   11.595   27.160   1.6914   26.323   1.6483 0.8373108 2.361708 
1 1 1   27   10   13 o   34.482   1.0135  160.533   9.3867  167.537   13.830  154.551   12.781   35.125   1.4660   33.750   1.4100 1.374771 2.033967 
1 1 1   27   10   14 o   52.754   0.8367  375.139   11.855  381.269   16.537  368.657   17.005   53.092   1.1597   52.189   1.2131 0.9030495 1.678259 
1 1 1   27   10   15 o   22.581   1.2373   69.256   7.4757   80.355   10.095   55.777   11.124   24.251   1.5580   20.037   2.0982 4.214346 2.613379 
1 1 1   27   10   16 o   12.229   2.2825   21.290   7.2217   9.3758   10.393   32.414   10.042   8.9003   3.2878   15.068   2.5739 -6.167219 4.175430 
1 1 1   27   10   17 o   6.2687   2.5827   2.0079   7.0214   8.3484   8.9704  -8.0216   11.282   8.3619   3.0600   6.2272   2.8769 2.134727 4.200033 
1 1 1   27   10   18 o   19.048   1.4358   49.595   7.2920   54.949   9.8907   43.219   10.793   19.939   1.8686   17.512   2.3544 2.427691 3.005824 
1 1 1   27   10   19 o   29.827   1.0688  120.308   8.5622  129.356   11.450  108.831   12.896   30.856   1.3816   28.167   1.7127 2.689596 2.200507 
1 1 1   27   10   20 o   18.749   1.5711   48.253   7.8388   38.872   10.658   59.307   11.569   16.540   2.4751   20.630   2.1180 -4.089396 3.257633 
1 1 1   27   10   21 o   8.8102   2.7401   10.941   7.1724   0.1057   9.4907   25.370   10.952   6.7432   2.9010   13.096   3.1517 -6.352690 4.283602 
1 1 1   27   10   22 o   26.963   1.1701   98.491   8.4738  106.228   11.514   89.350   12.516   27.872   1.5441   25.457   1.8429 2.415398 2.404288 
1 1 1   27   10   23 o   14.315   2.0195   28.750   7.5490   21.113   10.280   37.688   11.121   11.944   3.1567   16.209   2.6459 -4.264572 4.118912 
1 1 1   27   10   24 f   17.569   1.6586   42.546   7.7341   37.807   10.515   48.131   11.415   16.294   2.4810   18.470   2.3547 -2.176018 3.420492 
1 1 1   27   10   25 o   23.556   1.2902   75.545   8.1322   74.794   11.219   76.377   11.805   23.287   1.8078   23.507   1.8857 -0.2195358 2.612260 
1 1 1   27   10   26 o   20.131   1.6477   55.750   8.8308   57.008   13.585   54.830   11.621   20.021   2.5868   19.771   2.2272 0.2498741 3.413472 
1 1 1   27   10   27 f   24.867   1.4164   84.439   9.4212   73.462   12.504   98.855   14.329   22.979   2.0473   26.695   2.0132 -3.716125 2.871361 
1 1 1   27   10   28 o   28.493   1.1664  110.080   8.9261  130.852   12.652   89.495   12.595   30.961   1.5214   25.443   1.8559 5.518541 2.399792 
1 1 1   27   10   29 o   21.726   1.4012   64.576   8.1330   68.605   11.294   60.235   11.722   22.225   1.9105   20.729   2.1359 1.495964 2.865665 
1 1 1   27   10   30 o   8.3466   2.8248   9.4923   7.5343   7.7527   10.182   11.598   11.201   8.3861   3.2196   9.4338   3.4243 -1.047709 4.700188 
1 1 1   27   10   31 o   16.650   1.8913   38.823   8.3079   44.046   10.688   30.853   13.205   17.575   2.3211   14.171   3.4919 3.404471 4.192945 
1 1 1   27   10   32 o   12.016   2.6519   21.385   8.3297   17.167   10.616   28.142   13.436   10.684   3.3353   13.412   3.6377 -2.727602 4.935320 
1 1 1   27   10   33 o   16.880   1.8070   39.975   8.0651   36.119   11.002   44.454   11.857   15.627   2.7202   17.429   2.6134 -1.802089 3.772210 
1 1 1   27   10   34 o   20.117   2.0335   57.447   10.837   62.464   13.988   49.917   17.137   20.663   2.5765   17.678   3.7267 2.985151 4.530622 
1 1 1   27   10   35 f   16.436   2.2732   39.249   9.7668   32.317   14.382   45.182   13.306   14.036   3.7453   17.216   2.9858 -3.179329 4.789780 
1 1 1   27   10   36 o   9.2230   3.3280   12.378   10.557   32.103   18.961   3.5164   12.709   13.408   4.4815   7.8861   3.3738 5.521686 5.609519 
1 1 1   27   10   37 o   9.5699   3.6110   13.452   12.670   16.379   19.857   11.442   16.455   10.650   4.3603   9.6176   3.9571 1.032381 5.888173 
1 1 1   27   10   38 o   8.2080   3.4391   6.4250   12.751   16.780   19.400  -1.4498   16.918   10.517   4.3083   7.9721   3.6226 2.545239 5.628924 
1 1 1   27   10   39 o   6.5961   3.0208  -3.5672   12.063 -14.1734   17.692   5.6477   16.491   6.9487   3.3271   8.6023   3.7609 -1.653624 5.021394 
1 1 1   27   11  -32 f   23.377   3.9145   87.730   23.710   87.730   23.710   0.0000   0.0000   23.377   3.9145  ?   ?  0.000000 3.914460 
1 1 1   27   11  -31 o   18.267   3.2607   50.914   15.411   57.503   18.922   37.930   26.562   19.022   3.8359   14.641   5.2796 4.381410 6.525923 
1 1 1   27   11  -30 o   15.694   3.0519   37.012   12.402   54.754   17.240   17.988   17.852   18.865   3.5323   11.327   4.2834 7.538272 5.551975 
1 1 1   27   11  -29 o   35.270   1.3646  169.842   12.927  184.975   21.982  161.840   15.984   36.226   2.2706   34.211   1.7453 2.014984 2.863891 
1 1 1   27   11  -28 o   23.913   1.7377   79.101   11.085   82.236   19.398   77.581   13.508   23.648   3.1311   23.494   2.1649 0.1533394 3.806646 
1 1 1   27   11  -27 o   5.6778   2.5703  -3.8706   8.4190  -0.8572   11.994  -6.7974   11.820   7.3205   3.2038   6.4914   2.9792 0.8291726 4.374938 
1 1 1   27   11  -26 o   26.430   1.4073   95.450   9.9542   84.735   14.017  106.352   14.138   24.619   2.1411   27.707   1.9116 -3.087389 2.870265 
1 1 1   27   11  -25 o   17.808   1.9075   44.151   8.9819   51.225   13.263   38.159   12.207   18.889   2.6902   16.164   2.9191 2.724712 3.969689 
1 1 1   27   11  -24 o   12.414   3.2055   22.973   10.762   24.181   20.160   22.492   12.727   12.899   4.6051   12.241   3.6187 0.6577110 5.856761 
1 1 1   27   11  -23 o   36.257   1.1799  178.222   11.490  183.618   16.306  172.898   16.195   36.635   1.6571   35.534   1.6968 1.101341 2.371773 
1 1 1   27   11  -22 o   39.521   1.1320  211.579   12.017  198.730   17.023  224.343   16.966   38.113   1.6629   40.540   1.5581 -2.427174 2.278791 
1 1 1   27   11  -21 o   20.359   1.7583   57.218   9.5203   49.615   14.024   63.717   12.966   18.511   2.9173   21.293   2.3038 -2.782314 3.717309 
1 1 1   27   11  -20 o   29.803   1.4640  120.999   11.719  122.161   14.865  119.090   19.051   29.759   1.8692   29.103   2.4602 0.6562023 3.089758 
1 1 1   27   11  -19 o   33.621   1.3994  153.781   12.637  161.396   15.387  138.002   22.150   34.351   1.6677   31.230   2.6661 3.121233 3.144789 
1 1 1   27   11  -18 o   5.9732   2.7104  -4.6544   9.4284 -11.3600   11.324   10.496   17.022   5.8623   2.7645   10.278   4.0978 -4.415812 4.943169 
1 1 1   27   11  -17 o   39.942   1.0943  215.913   11.740  210.100   16.780  221.485   16.430   39.232   1.5925   40.311   1.5175 -1.078979 2.199703 
1 1 1   27   11  -16 o   36.503   0.8898  179.852   8.7237  180.553   10.647  178.418   15.217   36.530   1.0851   36.167   1.5665 0.3625908 1.905644 
1 1 1   27   11  -15 o   34.617   0.9908  161.925   9.2124  165.166   12.044  157.356   14.302   34.889   1.2852   33.969   1.5675 0.9197578 2.027045 
1 1 1   27   11  -14 o   4.7158   2.0690  -1.0589   5.0301  -2.2403   6.4057   0.8413   8.1237   5.1332   2.2892   6.4115   2.7187 -1.278271 3.554158 
1 1 1   27   11  -13 o   26.774   0.9818   96.830   7.0604   89.169   8.9714  109.296   11.444   25.603   1.3090   28.295   1.5113 -2.691698 1.999329 
1 1 1   27   11  -12 o   35.374   0.9364  168.923   8.8969  172.106   13.683  166.592   11.711   35.583   1.4316   35.061   1.2436 0.5229797 1.896320 
1 1 1   27   11  -11 o   19.967   1.3738   54.375   7.3227   51.234   11.147   56.760   9.7124   19.148   2.2079   20.293   1.8006 -1.145649 2.849022 
1 1 1   27   11  -10 o   34.363   0.8974  159.300   8.2827  161.283   12.052  157.525   11.402   34.489   1.3010   34.099   1.2450 0.3905640 1.800704 
1 1 1   27   11   -9 o   35.979   0.8443  174.534   8.1590  176.790   11.436  172.195   11.644   36.143   1.1780   35.662   1.2156 0.4817238 1.692786 
1 1 1   27   11   -8 o   15.388   1.6109   32.588   6.5597   27.877   10.048   36.086   8.6594   13.892   2.7899   16.088   2.0506 -2.196152 3.462461 
1 1 1   27   11   -7 o   56.909   0.7909  436.393   12.090  416.668   16.869  457.226   17.336   55.511   1.1314   58.157   1.1098 -2.646412 1.584829 
1 1 1   27   11   -6 o   20.730   1.3996   58.564   7.7471   51.378   9.5048   72.787   13.372   19.300   1.8565   22.891   2.2020 -3.591318 2.880172 
1 1 1   27   11   -5 o   10.014   2.3303   14.381   6.1500   18.470   8.6026   10.106   8.7956   11.278   2.8413   8.8138   3.0502 2.464143 4.168489 
1 1 1   27   11   -4 o   15.556   1.5837   33.247   6.5247   44.119   9.2200   22.341   9.2348   17.849   1.9552   12.411   2.8327 5.438016 3.441976 
1 1 1   27   11   -3 o   45.533   0.8522  279.472   10.422  294.075   15.526  267.496   14.061   46.611   1.2402   44.472   1.1772 2.139000 1.709922 
1 1 1   27   11   -2 o   41.402   0.8593  231.067   9.5552  233.740   13.291  228.208   13.747   41.569   1.1904   41.059   1.2465 0.5091896 1.723619 
1 1 1   27   11   -1 o   43.446   0.8319  254.385   9.7080  250.923   13.667  257.911   13.792   43.072   1.1814   43.669   1.1758 -0.5970192 1.666826 
1 1 1   27   11    0 o   18.095   1.3898   44.656   6.7028   49.983   9.4956   39.366   9.4627   19.033   1.8821   16.799   2.1463 2.234598 2.854664 
1 1 1   27   11    1 o   10.996   2.2478   17.226   6.4146   7.9809   8.9347   27.061   9.2150   8.2880   3.0507   13.757   2.5889 -5.468832 4.001180 
1 1 1   27   11    2 o   27.119   1.0844   99.363   7.8989  105.343   10.622   91.962   11.815   27.827   1.4259   25.922   1.7065 1.905550 2.223823 
1 1 1   27   11    3 o   21.438   1.2248   62.394   7.0232   65.749   9.8812   58.968   9.9841   21.903   1.6928   20.705   1.8136 1.198257 2.480865 
1 1 1   27   11    4 o   25.630   1.1568   88.832   7.9638   93.110   11.914   85.377   10.707   26.080   1.7102   24.998   1.6032 1.082060 2.344141 
1 1 1   27   11    5 o   5.6876   2.4982  -1.5172   7.3512  -2.3401   9.0075   0.1240   12.721   6.1944   2.7411   7.7809   3.3530 -1.586590 4.330812 
1 1 1   27   11    6 o   20.539   1.3049   57.387   7.1613   54.538   10.063   60.311   10.194   19.875   1.9085   20.931   1.8316 -1.055738 2.645238 
1 1 1   27   11    7 o   37.380   0.9918  188.635   9.9577  177.020   13.874  200.972   14.300   36.108   1.4306   38.487   1.3833 -2.378983 1.990018 
1 1 1   27   11    8 o   3.8531   1.8999 -14.9677   7.0440 -13.8214   10.644 -15.8608   9.3955   5.4054   2.5862   4.7538   2.3121 0.6515737 3.469029 
1 1 1   27   11    9 o   43.128   1.0211  251.246   11.828  233.934   19.009  262.182   15.109   41.401   1.7095   43.985   1.2789 -2.583660 2.134952 
1 1 1   27   11   10 o   44.716   0.9335  269.850   11.211  272.496   15.430  266.892   16.317   44.837   1.2813   44.344   1.3699 0.4927711 1.875757 
1 1 1   27   11   11 o   30.149   1.0360  122.826   8.3895  110.209   11.332  138.131   12.481   28.427   1.4893   31.875   1.4578 -3.448177 2.083999 
1 1 1   27   11   12 o   15.010   1.9396   31.405   7.6367   34.436   11.009   28.595   10.602   15.468   2.7506   14.013   2.9121 1.455559 4.005758 
1 1 1   27   11   13 o   26.250   1.2298   93.387   8.6712   82.580   12.636  103.006   11.921   24.450   1.9401   27.431   1.6253 -2.981609 2.530891 
1 1 1   27   11   14 o   7.4156   2.7909   5.9951   7.5580   4.8482   10.878   7.0655   10.509   8.0303   3.2498   8.3890   3.2571 -0.3587627 4.601076 
1 1 1   27   11   15 o   10.070   2.8867   14.711   8.2109   34.262   13.408   2.9782   10.386   15.177   3.3762   7.5385   3.1266 7.638748 4.601600 
1 1 1   27   11   16 o   16.313   1.7997   36.888   7.7539   39.446   9.8628   32.748   12.547   16.735   2.2514   14.875   3.2327 1.859891 3.939442 
1 1 1   27   11   17 o   8.1743   2.7043   9.0803   6.9100   13.295   9.4337   4.2015   10.150   9.7184   3.1572   7.6971   3.1304 2.021336 4.446051 
1 1 1   27   11   18 o   15.994   1.7276   35.409   7.3040   34.149   10.088   36.798   10.589   15.454   2.5170   16.045   2.5418 -0.5914640 3.577131 
1 1 1   27   11   19 o   3.7387   1.8572 -17.1797   7.2007 -18.4062   9.8356 -15.7631   10.571   4.7000   2.3030   5.1838   2.5047 -0.4837465 3.402559 
1 1 1   27   11   20 o   28.802   1.1603  112.408   8.9759  104.300   11.720  123.910   13.959   27.593   1.5881   30.025   1.7384 -2.432959 2.354578 
1 1 1   27   11   21 o   23.626   1.3808   76.176   8.7240   67.207   12.017   86.171   12.685   21.969   2.0606   24.959   1.9067 -2.989243 2.807412 
1 1 1   27   11   22 o   10.536   2.7802   16.245   7.9820   20.966   11.146   11.275   11.436   11.867   3.3502   9.4631   3.4562 2.404375 4.813436 
1 1 1   27   11   23 o   5.0018   2.3111  -5.4072   7.2837 -10.2741   9.9241   0.2757   10.724   5.4668   2.5811   7.1505   3.0799 -1.683688 4.018419 
1 1 1   27   11   24 o   21.175   1.4616   61.388   8.2621   69.204   11.596   53.328   11.775   22.328   1.9532   19.454   2.2979 2.874178 3.015885 
1 1 1   27   11   25 o   6.0235   2.6262  -0.8450   7.9919  -9.7462   11.598   7.2017   11.028   6.1076   2.8539   8.4891   3.3252 -2.381564 4.381991 
1 1 1   27   11   26 o   24.362   1.2803   80.888   8.3479   87.895   11.471   73.000   12.171   25.259   1.7007   22.898   1.9991 2.361731 2.624660 
1 1 1   27   11   27 o   15.603   1.8954   34.060   7.7802   25.501   10.524   44.374   11.553   13.076   3.0522   17.597   2.5160 -4.521448 3.955532 
1 1 1   27   11   28 o   24.651   1.3836   83.155   9.1241   91.867   12.288   72.448   13.622   25.758   1.7871   22.648   2.2699 3.109896 2.888983 
1 1 1   27   11   29 o   24.093   1.3139   79.380   8.4700   87.126   11.512   70.238   12.507   25.087   1.7188   22.342   2.1091 2.745174 2.720764 
1 1 1   27   11   30 o   16.695   1.9192   39.224   8.4496   40.166   10.810   37.745   13.547   16.647   2.4945   15.712   3.3144 0.9352913 4.148232 
1 1 1   27   11   31 o   14.481   2.2680   30.294   8.5314   39.301   11.003   16.714   13.510   16.372   2.5882   10.642   3.7730 5.729895 4.575342 
1 1 1   27   11   32 f   18.974   1.6180   50.164   8.1668   53.125   11.143   46.728   12.004   19.248   2.1947   17.826   2.5824 1.421528 3.389020 
1 1 1   27   11   33 o   6.4922   2.8400  -0.1408   9.4153  -9.0554   13.800   7.6228   12.878   6.6699   3.1154   8.6481   3.5227 -1.978204 4.702700 
1 1 1   27   11   34 o   10.527   3.3801   17.572   10.835   26.566   14.527   6.2942   16.267   12.548   3.8991   8.9528   3.8232 3.595610 5.460786 
1 1 1   27   11   35 o   29.299   1.8413  121.774   14.417  106.470   23.352  131.200   18.326   25.747   3.4648   29.984   2.2929 -4.237497 4.154775 
1 1 1   27   11   36 o   8.4859   3.6763   5.1564   15.458   52.130   37.875  -4.2315   16.932   14.413   5.9737   7.6995   3.5455 6.713721 6.946612 
1 1 1   27   11   37 o   16.347   3.6350   45.750   15.547   11.580   30.284   57.979   18.117   10.552   4.8149   18.271   3.8149 -7.718794 6.142997 
1 1 1   27   12  -30 o   19.819   3.6381   62.333   18.653   62.333   18.653   0.0000   0.0000   19.819   3.6381  ?   ?  0.000000 3.638130 
1 1 1   27   12  -29 o   12.250   3.7994   23.974   13.801   34.140   17.713   8.2710   22.015   14.280   4.2802   10.317   4.4278 3.963213 6.158339 
1 1 1   27   12  -28 o   13.893   2.8209   28.835   10.167   10.112   17.453   38.453   12.509   9.9799   4.0871   15.990   3.0233 -6.010057 5.083754 
1 1 1   27   12  -27 o   14.759   2.6972   32.036   10.298   21.831   17.607   37.342   12.696   12.030   4.3027   15.757   3.1104 -3.726361 5.309231 
1 1 1   27   12  -26 o   24.849   1.7175   85.446   11.393   84.650   19.782   85.841   13.935   23.932   3.1545   24.719   2.1194 -0.7876854 3.800333 
1 1 1   27   12  -25 o   34.547   1.3497  162.698   12.524  161.540   19.951  163.451   16.088   33.946   2.2001   34.414   1.7462 -0.4681664 2.808855 
1 1 1   27   12  -24 o   21.555   1.6665   64.118   9.5736   72.622   13.755   56.127   13.333   22.690   2.2882   19.796   2.5681 2.893272 3.439672 
1 1 1   27   12  -23 o   45.817   1.1961  284.974   14.719  265.903   23.287  297.663   18.995   43.852   1.9772   46.675   1.5152 -2.823166 2.490975 
1 1 1   27   12  -22 o   39.209   1.2320  208.765   12.974  190.758   20.026  221.790   17.033   37.086   2.0180   40.273   1.5746 -3.186291 2.559675 
1 1 1   27   12  -21 o   27.672   1.3603  104.209   10.111  109.699   14.719   99.303   13.913   28.131   1.9602   26.764   1.9488 1.367424 2.764148 
1 1 1   27   12  -20 o   33.829   1.1997  155.261   10.901  156.439   15.710  154.167   15.138   33.728   1.7402   33.505   1.6876 0.2230263 2.424092 
1 1 1   27   12  -19 o   24.246   1.6828   80.887   10.891   82.821   13.813   77.710   17.706   24.361   2.1326   23.228   2.9014 1.133635 3.600821 
1 1 1   27   12  -18 o   23.569   1.5482   76.168   9.7464   75.182   13.440   77.263   14.154   23.182   2.1843   23.464   2.2745 -0.2823219 3.153540 
1 1 1   27   12  -17 o   22.345   1.5558   68.505   9.2790   79.600   13.488   58.536   12.785   23.885   2.1246   20.354   2.3838 3.531101 3.193198 
1 1 1   27   12  -16 o   15.044   1.6649   31.336   6.6148   31.209   7.1161   32.145   17.941   14.975   1.8057   14.372   4.3075 0.6023149 4.670641 
1 1 1   27   12  -15 o   30.887   1.0795  129.146   8.9551  127.154   9.9107  138.009   20.903   30.617   1.2052   31.297   2.5076 -0.6800976 2.782215 
1 1 1   27   12  -14 o   36.463   0.8368  179.412   8.1956  178.004   11.087  181.109   12.169   36.247   1.1388   36.531   1.2402 -0.2849731 1.683757 
1 1 1   27   12  -13 o   12.292   1.8285   21.170   5.8532   11.892   7.4746   35.879   9.4113   9.1262   2.7904   15.930   2.2633 -6.803448 3.592915 
1 1 1   27   12  -12 o   17.726   1.3404   42.938   6.3347   55.534   8.4428   26.713   9.5822   20.110   1.5757   13.556   2.7262 6.554147 3.148759 
1 1 1   27   12  -11 o   37.931   0.8469  194.136   8.6283  203.161   11.988  184.434   12.429   38.725   1.1525   36.867   1.2552 1.857857 1.704035 
1 1 1   27   12  -10 o   19.508   1.2993   51.893   6.7693   45.343   9.2611   59.406   9.9190   18.059   1.9397   20.742   1.7983 -2.682940 2.645058 
1 1 1   27   12   -9 o   13.244   1.9808   24.638   6.8298   13.002   10.822   32.341   8.8047   9.7985   3.3838   15.131   2.2337 -5.332095 4.054568 
1 1 1   27   12   -8 o   8.3467   2.5047   9.8666   6.0631   7.4063   8.4500   12.477   8.7046   7.9908   2.9621   9.4233   3.0299 -1.432509 4.237260 
1 1 1   27   12   -7 f   32.402   1.0609  141.992   9.2329  145.478   13.043  138.492   13.072   32.687   1.4856   31.880   1.5266 0.8066921 2.130158 
1 1 1   27   12   -6 o   14.014   1.8329   27.351   6.7336   33.480   9.9345   22.142   9.1584   15.319   2.5009   12.309   2.8294 3.009189 3.776174 
1 1 1   27   12   -5 o   38.564   0.9797  200.904   10.148  202.145   14.419  199.686   14.285   38.567   1.3919   38.333   1.3874 0.2338409 1.965305 
1 1 1   27   12   -4 o   14.138   2.0394   28.046   7.5207   33.195   10.757   23.125   10.518   15.173   2.7405   12.515   3.1355 2.657719 4.164369 
1 1 1   27   12   -3 o   17.075   1.5280   40.011   6.9333   42.732   9.6042   37.051   10.019   17.494   2.0850   16.181   2.3762 1.313698 3.161296 
1 1 1   27   12   -2 o   39.960   0.8587  215.398   9.2159  206.663   12.963  224.324   13.104   39.048   1.2360   40.693   1.1989 -1.645313 1.721981 
1 1 1   27   12   -1 f   24.299   1.1225   79.899   7.3261   73.583   10.265   86.455   10.459   23.159   1.6613   25.143   1.5564 -1.984407 2.276485 
1 1 1   27   12    0 o   9.7825   2.4546   13.823   6.4390   18.273   9.1688   9.4922   9.0448   11.170   2.9948   8.6617   3.0854 2.508034 4.299842 
1 1 1   27   12    1 f   8.6577   2.5466   10.667   6.3168   10.912   8.8039   10.406   9.0687   9.0046   3.0535   8.9064   3.0963 0.9820557E-01 4.348678 
1 1 1   27   12    2 o   12.267   2.2820   21.454   7.2421   27.142   11.207   17.377   9.4894   13.569   3.1377   10.904   3.0957 2.664838 4.407778 
1 1 1   27   12    3 o   24.790   1.2158   83.272   8.0950   86.157   10.708   79.425   12.367   25.086   1.5975   23.974   1.9371 1.112076 2.510837 
1 1 1   27   12    4 o   22.704   1.3568   70.248   8.2363   72.804   11.397   67.453   11.916   22.970   1.8634   22.047   2.0353 0.9228306 2.759460 
1 1 1   27   12    5 o   26.030   1.1084   91.686   7.7496   84.774   10.691   99.337   11.249   24.877   1.6087   26.952   1.5606 -2.074839 2.241279 
1 1 1   27   12    6 o   9.8765   2.7237   14.141   7.4591   11.615   11.588   15.928   9.7471   9.5933   3.4828   10.488   3.1821 -0.8951159 4.717634 
1 1 1   27   12    7 f   9.0599   2.7026   11.723   7.0748   7.1368   9.6078   17.154   10.457   8.1912   3.1316   10.855   3.2965 -2.663263 4.546844 
1 1 1   27   12    8 o   53.920   0.9011  392.466   13.050  402.863   18.677  382.548   18.242   54.489   1.2762   53.096   1.2792 1.392895 1.806896 
1 1 1   27   12    9 o   23.175   1.2915   73.121   8.0073   80.686   11.692   66.439   10.989   24.193   1.8125   21.917   1.8850 2.275549 2.615046 
1 1 1   27   12   10 o   11.960   2.2617   20.441   6.9988   17.192   9.4430   24.402   10.425   10.828   3.0931   12.853   3.0634 -2.025249 4.353331 
1 1 1   27   12   11 o   14.410   1.8677   28.967   7.0584   28.035   9.5625   30.082   10.462   13.924   2.6539   14.380   2.8096 -0.4560337 3.864825 
1 1 1   27   12   12 o   25.917   1.2423   91.137   8.6476   98.390   12.461   84.399   12.011   26.743   1.7443   24.734   1.8207 2.009306 2.521456 
1 1 1   27   12   13 o   17.284   2.0799   41.829   9.4618   24.358   14.222   55.702   12.674   12.710   3.8410   19.844   2.4285 -7.133790 4.544289 
1 1 1   27   12   14 o   5.5568   2.5543  -5.7290   8.7360   10.945   15.503 -13.4869   10.575   10.072   3.9434   5.3845   2.5766 4.687476 4.710529 
1 1 1   27   12   15 o   41.972   1.0528  238.392   11.868  249.669   18.235  230.104   15.632   42.747   1.5882   41.110   1.4158 1.636726 2.127643 
1 1 1   27   12   16 o   26.352   1.3437   94.667   9.4789   91.903   15.434   96.341   12.011   25.617   2.2666   26.468   1.6985 -0.8518620 2.832348 
1 1 1   27   12   17 o   11.411   2.5117   18.909   7.4897   26.555   10.265   10.206   10.952   13.432   2.9279   9.1277   3.3744 4.304402 4.467634 
1 1 1   27   12   18 o   12.396   2.4346   22.161   7.8169   10.944   11.141   33.037   10.970   9.3255   3.4106   15.061   2.8154 -5.735498 4.422503 
1 1 1   27   12   19 o   22.653   1.3763   70.083   8.3341   76.112   11.340   63.004   12.289   23.470   1.8130   21.203   2.1894 2.267807 2.842639 
1 1 1   27   12   20 o   28.156   1.1591  107.484   8.7661  118.199   11.923   94.877   12.933   29.391   1.5155   26.203   1.8495 3.188507 2.391110 
1 1 1   27   12   21 o   9.9319   2.7250   14.411   7.4889   14.165   10.054   14.717   11.223   9.9758   3.2603   10.223   3.4477 -0.2469902 4.745144 
1 1 1   27   12   22 o   13.720   2.1219   26.662   7.5672   29.266   10.422   23.759   11.005   14.129   2.8448   12.590   3.2365 1.538027 4.309040 
1 1 1   27   12   23 o   8.4573   2.9017   9.6173   7.9518   3.9057   10.269   18.171   12.567   7.6313   3.1313   11.137   3.6452 -3.505206 4.805453 
1 1 1   27   12   24 o   19.840   1.8926   54.804   9.9631   55.745   12.712   53.305   16.041   19.785   2.4442   18.933   3.2729 0.8521557 4.084858 
1 1 1   27   12   25 o   35.023   1.0477  166.225   9.8552  177.717   13.494  153.087   14.428   36.089   1.3921   33.407   1.6079 2.682117 2.126816 
1 1 1   27   12   26 o   18.194   1.8091   46.138   8.7234   51.150   11.024   37.741   14.268   19.006   2.2002   15.700   3.4754 3.305997 4.113275 
1 1 1   27   12   27 o   7.3584   2.8557   5.6186   8.0753   7.8979   10.549   2.3919   12.551   8.4316   3.2661   7.8913   3.3638 0.5402303 4.688592 
1 1 1   27   12   28 o   26.743   1.2584   97.603   9.0390  108.848   12.364   84.694   13.248   28.038   1.6491   24.529   2.0290 3.509031 2.614650 
1 1 1   27   12   29 o   9.3653   2.9015   13.052   8.0513   9.9280   10.803   16.956   12.076   8.8366   3.3343   10.582   3.5762 -1.745463 4.889484 
1 1 1   27   12   30 o   18.656   1.6873   48.715   8.3632   43.541   11.145   55.385   12.653   17.236   2.4786   19.473   2.4752 -2.237020 3.502838 
1 1 1   27   12   31 o   22.335   1.5631   69.479   9.3181   73.574   13.114   65.303   13.243   22.612   2.1865   21.172   2.3694 1.440025 3.224144 
1 1 1   27   12   32 o   6.3298   2.8435  -2.2603   10.076 -13.5069   13.684   11.060   14.893   6.1843   2.9516   9.4402   3.8088 -3.255809 4.818560 
1 1 1   27   12   33 o   9.0130   3.3268   11.819   10.637   4.1109   16.440   17.369   13.951   8.5891   3.7552   10.423   3.8158 -1.834157 5.353633 
1 1 1   27   12   34 o   9.0278   4.1583  -0.9045   23.314   0.0000   0.0000  -0.9045   23.314  ?   ?    9.0278   4.1583 0.000000 4.158327 
1 1 1   27   12   35 o   22.548   3.3413   83.361   19.623   0.0000   0.0000   83.361   19.623  ?   ?    22.548   3.3413 0.000000 3.341314 
1 1 1   27   12   36 o   8.6532   3.8540   5.2101   18.092   0.0000   0.0000   5.2101   18.092  ?   ?    8.6532   3.8540 0.000000 3.854001 
1 1 1   27   13  -29 o   22.524   3.1424   78.373   18.493   78.373   18.493   0.0000   0.0000   22.524   3.1424  ?   ?  0.000000 3.142433 
1 1 1   27   13  -28 o   19.543   3.5701   60.731   18.049   60.731   18.049   0.0000   0.0000   19.543   3.5701  ?   ?  0.000000 3.570133 
1 1 1   27   13  -27 o   10.615   4.0591   15.917   16.145   15.917   16.145   0.0000   0.0000   10.615   4.0591  ?   ?  0.000000 4.059140 
1 1 1   27   13  -26 o   8.5358   3.2281   9.0225   10.140   23.380   16.080  -0.4546   13.064   12.123   4.1267   7.5409   3.3208 4.582378 5.296923 
1 1 1   27   13  -25 o   14.199   2.7303   29.893   10.034   47.187   17.137   20.869   12.378   17.275   3.7970   11.610   3.5978 5.665329 5.230815 
1 1 1   27   13  -24 o   10.307   3.2315   15.829   9.9534   43.587   17.141   1.7087   12.226   16.580   3.9123   7.7006   3.3021 8.879377 5.119593 
1 1 1   27   13  -23 o   17.620   2.2004   44.068   10.186   57.762   17.380   36.902   12.572   19.529   3.4391   15.702   3.0909 3.826852 4.623970 
1 1 1   27   13  -22 o   9.9605   3.0701   14.564   9.0274   27.409   13.218   3.3363   12.358   13.328   3.6054   8.0355   3.3773 5.292195 4.940107 
1 1 1   27   13  -21 o   21.208   1.9843   62.831   11.172   46.851   20.278   69.795   13.387   17.067   4.3966   22.232   2.2739 -5.164318 4.949785 
1 1 1   27   13  -20 o   10.618   3.0009   16.702   8.9379   18.127   12.769   15.334   12.516   11.116   3.6761   10.451   3.6372 0.6648817 5.171358 
1 1 1   27   13  -19 o   31.021   1.2864  130.879   10.718  135.894   15.313  126.063   15.006   31.361   1.8258   30.186   1.8600 1.175247 2.606339 
1 1 1   27   13  -18 o   38.790   1.2538  204.476   13.063  193.605   16.944  220.409   20.512   37.571   1.6791   39.964   1.9109 -2.393608 2.543834 
1 1 1   27   13  -17 o   6.6471   2.4462   5.1063   5.7443   6.6581   6.1862  -4.6060   15.476   7.2464   2.5548   7.8186   3.5170 -0.5721965 4.347032 
1 1 1   27   13  -16 o   22.053   1.1877   66.179   7.0089   65.574   8.3815   67.584   12.781   21.886   1.4337   21.946   2.1978 -0.5995178E-01 2.624137 
1 1 1   27   13  -15 o   12.376   1.7426   21.410   5.6319   25.606   7.5382   16.109   8.4730   13.426   2.1639   10.462   2.9096 2.964073 3.625993 
1 1 1   27   13  -14 o   16.757   1.6249   38.780   7.2215   35.945   9.6958   42.313   10.822   15.893   2.3415   17.244   2.4019 -1.350382 3.354349 
1 1 1   27   13  -13 o   32.724   0.8999  144.664   7.9092  159.969   10.756  126.644   11.671   34.342   1.1661   30.482   1.4255 3.860126 1.841657 
1 1 1   27   13  -12 o   11.555   2.1777   19.098   6.5106   15.489   8.0309   26.019   11.120   10.274   2.8232   13.199   3.1754 -2.924630 4.248952 
1 1 1   27   13  -11 o   15.083   1.7139   31.574   6.8197   28.831   8.1920   37.766   12.309   14.252   2.2117   16.054   2.9637 -1.802310 3.698007 
1 1 1   27   13  -10 o   54.490   0.9460  401.320   13.845  381.531   18.148  428.875   21.414   52.991   1.2750   56.103   1.4211 -3.112877 1.909238 
1 1 1   27   13   -9 o   23.578   1.1910   75.600   7.5180   81.587   10.823   70.018   10.451   24.354   1.6646   22.528   1.7407 1.826401 2.408479 
1 1 1   27   13   -8 o   10.128   2.5941   14.970   7.0880   14.683   9.5049   15.330   10.638   10.081   3.1574   10.332   3.3525 -0.2510519 4.605263 
1 1 1   27   13   -7 o   39.203   0.8998  207.575   9.4744  214.615   13.890  201.450   12.956   39.738   1.3014   38.517   1.2524 1.221199 1.806105 
1 1 1   27   13   -6 o   22.418   1.2489   68.440   7.4904   73.667   11.161   64.156   10.104   23.088   1.8144   21.556   1.7605 1.532698 2.528120 
1 1 1   27   13   -5 o   15.081   1.6745   31.501   6.6682   38.565   9.3580   24.215   9.5041   16.553   2.1559   12.846   2.8308 3.707220 3.558331 
1 1 1   27   13   -4 o   15.636   1.6618   33.818   6.8720   37.046   9.3995   30.112   10.072   16.199   2.2187   14.408   2.7020 1.790400 3.496226 
1 1 1   27   13   -3 o   16.308   1.6615   36.754   7.1759   42.496   9.4953   29.107   10.958   17.420   2.0700   14.056   2.9941 3.363633 3.639939 
1 1 1   27   13   -2 o   31.521   0.9929  134.346   8.4062  136.200   11.487  132.209   12.335   31.646   1.3514   31.142   1.4747 0.5042896 2.000236 
1 1 1   27   13   -1 o   33.101   0.9861  148.139   8.7667  148.796   11.924  147.366   12.934   33.080   1.3420   32.882   1.4644 0.1980133 1.986329 
1 1 1   27   13    0 o   11.015   2.3439   17.503   6.7218   13.041   9.4053   22.162   9.6101   9.6261   3.1536   12.251   2.9547 -2.625271 4.321558 
1 1 1   27   13    1 o   6.1471   2.6588  -0.3326   8.0591  -5.2253   12.434   3.2115   10.583   6.9025   3.1243   7.6123   3.1565 -0.7097888 4.441256 
1 1 1   27   13    2 o   6.7329   2.6651   3.8678   7.1521   0.0234   9.2703   9.5211   11.242   6.6373   2.8612   9.0316   3.4029 -2.394235 4.445911 
1 1 1   27   13    3 o   16.930   1.8418   39.826   8.2399   45.606   12.117   34.855   11.238   17.852   2.6037   15.489   2.8047 2.363477 3.826951 
1 1 1   27   13    4 o   27.994   1.1105  106.150   8.3500  113.750   11.798   98.524   11.819   28.831   1.5291   26.784   1.6510 2.046440 2.250288 
1 1 1   27   13    5 o   6.0826   2.5250   1.6809   6.7827   10.343   9.4440  -7.5473   9.7477   8.9090   3.1550   5.7064   2.6496 3.202574 4.119972 
1 1 1   27   13    6 o   36.186   1.0638  177.257   10.339  178.531   14.602  175.977   14.641   36.174   1.5029   35.909   1.5181 0.2653656 2.136186 
1 1 1   27   13    7 o   44.074   0.9330  262.479   11.045  265.348   15.486  259.508   15.757   44.185   1.3049   43.680   1.3430 0.5043983 1.872568 
1 1 1   27   13    8 o   9.4215   2.6448   12.887   6.9669   16.767   9.4685   8.3058   10.288   10.675   3.1115   8.5692   3.2489 2.106010 4.498550 
1 1 1   27   13    9 o   31.070   1.0789  130.725   9.0038  125.085   13.020  135.894   12.465   30.199   1.6110   31.567   1.4701 -1.367916 2.180967 
1 1 1   27   13   10 o   14.561   1.9925   29.781   7.5884   30.370   10.869   29.221   10.600   14.380   2.9138   14.106   2.8946 0.2734814 4.107193 
1 1 1   27   13   11 o   17.020   1.6223   39.981   7.3263   39.037   9.7987   41.178   11.033   16.612   2.2544   16.977   2.4938 -0.3651314 3.361791 
1 1 1   27   13   12 o   10.326   2.7424   15.638   7.7344   23.629   10.929   7.6189   10.947   12.564   3.2229   8.5517   3.3232 4.011945 4.629355 
1 1 1   27   13   13 o   16.750   1.8152   39.006   8.0359   42.252   10.193   33.676   13.062   17.292   2.2479   14.983   3.3320 2.308624 4.019358 
1 1 1   27   13   14 o   12.797   2.4597   23.650   8.1472   25.408   11.823   22.060   11.243   12.984   3.3633   12.121   3.3443 0.8633890 4.743019 
1 1 1   27   13   15 o   25.749   1.4122   90.607   9.7293   80.099   15.743   97.101   12.376   23.766   2.5039   26.539   1.7459 -2.773335 3.052521 
1 1 1   27   13   16 o   11.616   2.8969   19.957   9.0077   21.014   12.614   18.856   12.868   11.841   3.6257   11.328   3.6876 0.5130663 5.171474 
1 1 1   27   13   17 o   27.118   1.5223  100.767   11.043   89.509   13.697  121.674   18.667   25.357   2.0281   29.399   2.3845 -4.041641 3.130370 
1 1 1   27   13   18 o   6.6478   2.7367   2.5640   7.8765   1.6729   9.7667   4.2218   13.321   7.0716   2.9888   8.4597   3.5274 -1.388108 4.623413 
1 1 1   27   13   19 o   7.6572   2.8841   6.6116   8.0741   8.4614   10.062   3.2672   13.530   8.5331   3.2184   8.3515   3.5232 0.1816454 4.771889 
1 1 1   27   13   20 o   18.515   1.8330   47.677   8.9955   55.359   11.143   33.303   15.242   19.852   2.1227   14.651   3.8303 5.201021 4.379141 
1 1 1   27   13   21 o   5.6023   2.5292  -3.4728   8.0877  -5.8810   10.006   1.0658   13.736   5.9815   2.7437   8.0527   3.4771 -2.071206 4.429216 
1 1 1   27   13   22 o   18.022   1.9978   45.587   9.5079   47.630   12.890   43.149   14.081   18.102   2.7366   16.981   3.2048 1.120266 4.214209 
1 1 1   27   13   23 o   27.493   1.2628  102.953   9.3246  104.509   11.996  100.577   14.821   27.527   1.6298   26.785   2.0764 0.7423382 2.639649 
1 1 1   27   13   24 o   15.006   1.9810   31.835   7.7888   22.777   10.569   42.602   11.523   12.224   3.1865   17.123   2.5860 -4.899042 4.103805 
1 1 1   27   13   25 o   34.641   1.0563  162.971   9.8278  169.210   13.557  156.062   14.267   35.131   1.4368   33.668   1.5777 1.463268 2.133877 
1 1 1   27   13   26 o   12.664   2.5785   23.787   8.4721   19.064   11.343   29.747   12.742   11.104   3.4445   13.764   3.4526 -2.659551 4.876982 
1 1 1   27   13   27 o   38.541   1.0419  202.055   10.785  206.368   14.434  196.604   16.228   38.760   1.3865   37.691   1.6030 1.069492 2.119468 
1 1 1   27   13   28 o   13.431   2.3142   26.473   8.0468   18.607   10.894   35.917   11.937   10.873   3.3762   15.289   3.0141 -4.415904 4.525862 
1 1 1   27   13   29 o   5.4040   2.4920  -4.9473   8.4071   1.6990   11.592 -12.3235   12.212   7.3537   3.1847   5.8751   2.7996 1.478527 4.240274 
1 1 1   27   13   30 f   13.628   2.8819   28.852   10.219   44.992   16.718   19.224   12.912   16.289   3.8771   10.854   3.6979 5.435592 5.357812 
1 1 1   27   13   31 o   12.043   3.5956   24.492   12.518   11.954   21.603   30.831   15.360   10.147   4.3709   13.213   3.9915 -3.066402 5.919220 
1 1 1   27   13   32 o   10.952   3.7828   20.601   13.525   73.460   31.667   8.8072   14.958   17.643   5.7870   8.8720   3.7215 8.770856 6.880374 
1 1 1   27   13   33 o   19.935   3.6839   68.196   18.998   0.0000   0.0000   68.196   18.998  ?   ?    19.935   3.6839 0.000000 3.683861 
1 1 1   27   13   34 o   6.4755   3.2472 -47.6900   24.389   0.0000   0.0000 -47.6900   24.389  ?   ?    6.4755   3.2472 0.000000 3.247177 
1 1 1   27   14  -28 o   14.901   5.0582   45.070   24.159   45.070   24.159   0.0000   0.0000   14.901   5.0582  ?   ?  0.000000 5.058167 
1 1 1   27   14  -27 o   7.7884   3.5567  -3.6676   16.566  -3.6676   16.566   0.0000   0.0000   7.7884   3.5567  ?   ?  0.000000 3.556653 
1 1 1   27   14  -26 o   7.9267   3.6189  -4.0730   17.138  -4.0730   17.138   0.0000   0.0000   7.9267   3.6189  ?   ?  0.000000 3.618935 
1 1 1   27   14  -25 o   9.6564   3.5843   13.216   12.381   6.9443   16.292   21.789   19.048   9.1360   3.8607   11.709   4.4253 -2.573143 5.872725 
1 1 1   27   14  -24 o   23.188   2.0077   76.166   12.380   48.570   18.998   96.534   16.322   17.033   4.1831   25.864   2.3762 -8.830389 4.810901 
1 1 1   27   14  -23 o   9.2893   3.2205   12.351   9.8075  -1.5282   17.439   18.772   11.861   8.4205   3.7646   11.020   3.5362 -2.599401 5.164964 
1 1 1   27   14  -22 o   17.536   2.2302   44.008   10.267   52.118   17.619   39.839   12.633   18.196   3.7303   16.284   2.9988 1.911829 4.786280 
1 1 1   27   14  -21 o   20.946   1.9404   61.556   10.793   78.229   19.085   53.718   13.086   22.864   3.1952   19.234   2.5998 3.629852 4.119220 
1 1 1   27   14  -20 o   9.1701   3.4272   10.631   11.358  -7.4010   28.798   13.953   12.360   10.109   4.6433   10.032   3.6032 0.7669640E-01 5.877402 
1 1 1   27   14  -19 o   22.131   1.9119   68.380   11.253   65.046   21.361   69.660   13.239   20.322   4.0557   22.178   2.2539 -1.856239 4.639900 
1 1 1   27   14  -18 o   20.007   1.7826   55.626   9.4788   69.475   13.951   43.752   12.918   22.097   2.3886   17.253   2.8898 4.844017 3.749225 
1 1 1   27   14  -17 o   14.335   1.9564   28.949   7.3358   24.336   9.2415   36.807   12.062   12.842   2.7614   15.780   2.9543 -2.938853 4.043936 
1 1 1   27   14  -16 o   28.062   1.1496  106.899   8.6646  101.488   9.7074  128.105   19.216   27.295   1.3241   30.104   2.3964 -2.809261 2.737915 
1 1 1   27   14  -15 o   11.960   2.1473   20.459   6.6446   19.498   9.5819   21.351   9.2221   11.423   3.0610   11.988   2.8965 -0.5649595 4.214187 
1 1 1   27   14  -14 o   8.1337   2.5010   9.3923   5.9949   5.7781   7.7037   14.941   9.5455   7.3472   2.8053   10.119   3.1633 -2.771547 4.228030 
1 1 1   27   14  -13 o   21.100   1.2289   60.695   6.9347   71.641   9.2240   46.466   10.517   22.846   1.5118   18.142   2.2035 4.704029 2.672257 
1 1 1   27   14  -12 o   22.517   1.1657   68.988   7.0261   68.075   9.2690   70.223   10.772   22.253   1.5607   22.520   1.7959 -0.2668114 2.379267 
1 1 1   27   14  -11 o   21.358   1.3695   62.394   7.8147   49.956   10.957   75.271   11.149   18.820   2.2096   23.322   1.7935 -4.501690 2.845880 
1 1 1   27   14  -10 o   25.933   1.0603   91.102   7.3851   88.715   9.7933   94.249   11.245   25.461   1.4380   26.185   1.6066 -0.7245293 2.156131 
1 1 1   27   14   -9 o   13.642   1.9653   26.212   6.9934   18.517   8.9524   38.259   11.202   11.172   2.9426   16.265   2.6558 -5.093390 3.963860 
1 1 1   27   14   -8 o   27.700   1.0792  103.969   8.0289  108.562   11.748   99.944   10.999   28.128   1.5611   26.999   1.5229 1.128874 2.180910 
1 1 1   27   14   -7 o   6.6799   2.6732   3.5739   7.2709   13.158   11.398  -3.0026   9.4416   9.8377   3.4679   6.1894   2.7684 3.648242 4.437356 
1 1 1   27   14   -6 o   11.774   2.3208   19.990   7.0786   18.953   10.248   20.936   9.7891   11.271   3.2231   11.848   3.0560 -0.5778532 4.441598 
1 1 1   27   14   -5 o   23.079   1.3625   72.792   8.4084   64.596   10.379   88.445   14.343   21.594   1.8061   25.142   2.1445 -3.548521 2.803701 
1 1 1   27   14   -4 o   13.444   2.1024   25.626   7.3431   22.860   9.1863   30.522   12.221   12.453   2.8129   14.257   3.2621 -1.804338 4.307415 
1 1 1   27   14   -3 f   11.166   2.5309   18.196   7.4149   23.428   9.4544   9.8347   11.952   12.595   2.8600   9.1927   3.4979 3.402258 4.518305 
1 1 1   27   14   -2 o   23.921   1.3968   78.244   8.9356   88.655   10.619   52.989   16.539   25.412   1.5633   18.834   3.3944 6.578413 3.737097 
1 1 1   27   14   -1 o   33.644   1.1151  153.448   10.076  152.989   12.087  154.494   18.243   33.522   1.3424   33.332   2.0477 0.1903992 2.448469 
1 1 1   27   14    0 o   33.389   1.1220  151.156   10.062  149.683   13.651  152.908   14.891   33.089   1.5359   33.394   1.6602 -0.3049660 2.261726 
1 1 1   27   14    1 o   36.081   1.0613  176.331   10.285  171.319   12.586  186.406   17.844   35.482   1.3207   36.802   1.8052 -1.320240 2.236760 
1 1 1   27   14    2 o   23.798   1.2647   77.195   8.0546   74.242   10.486   81.444   12.580   23.202   1.6943   24.206   1.9515 -1.003815 2.584416 
1 1 1   27   14    3 f   29.245   1.1273  115.974   8.8549  121.922   11.606  107.687   13.698   29.893   1.4455   27.904   1.8380 1.989393 2.338289 
1 1 1   27   14    4 o   11.405   2.7375   19.149   8.2793  -2.2649   10.250   59.355   14.044   6.5781   2.9168   20.350   2.6310 -13.77232 3.928133 
1 1 1   27   14    5 o   21.027   1.4303   60.573   8.0297   69.248   10.304   47.161   12.813   22.391   1.7267   18.066   2.7251 4.324921 3.226120 
1 1 1   27   14    6 o   11.636   2.4616   19.673   7.4532   24.466   9.6192   12.472   11.790   12.875   2.8564   9.7321   3.5162 3.142564 4.530158 
1 1 1   27   14    7 o   13.677   2.1183   26.528   7.5300   33.175   9.6975   16.435   11.950   15.201   2.4592   10.672   3.5575 4.528752 4.324776 
1 1 1   27   14    8 o   16.676   1.7366   38.598   7.6645   37.012   9.8628   41.017   12.178   16.116   2.3475   16.791   2.7989 -0.6749458 3.653054 
1 1 1   27   14    9 o   28.157   1.1717  107.602   8.8610  106.889   11.250  108.766   14.382   27.930   1.5051   28.001   1.9240 -0.7043076E-01 2.442821 
1 1 1   27   14   10 o   13.001   2.4539   24.433   8.2550   32.391   10.990   14.132   12.504   14.857   2.8579   10.191   3.6280 4.666392 4.618454 
1 1 1   27   14   11 o   7.4979   3.0305   4.3895   9.4466  -1.0418   12.531   11.540   14.378   7.4508   3.2674   9.9262   3.8221 -2.475405 5.028355 
1 1 1   27   14   12 o   14.813   2.2406   31.214   8.6359   32.166   10.083   28.595   16.729   14.899   2.6151   13.547   4.1800 1.352607 4.930602 
1 1 1   27   14   13 o   20.592   1.5140   58.260   8.3150   73.435   10.629   34.321   13.349   23.056   1.7290   15.072   3.3809 7.983870 3.797376 
1 1 1   27   14   14 o   10.856   2.6882   17.351   7.7969   5.5171   9.7359   38.514   13.019   7.8032   3.1029   16.101   3.1231 -8.298117 4.402503 
1 1 1   27   14   15 o   18.390   1.9255   47.227   9.3695   41.236   13.004   53.696   13.512   16.722   3.0057   19.296   2.6794 -2.573732 4.026574 
1 1 1   27   14   16 o   9.2770   2.9693   12.325   8.3671   15.028   11.857   9.6453   11.809   10.299   3.5427   9.0976   3.4733 1.200949 4.961320 
1 1 1   27   14   17 o   14.969   2.1813   31.858   8.5125   29.692   12.359   33.814   11.742   13.980   3.3376   15.089   3.0029 -1.108582 4.489626 
1 1 1   27   14   18 o   5.1499   2.4011  -6.7696   8.1391  -8.6090   11.605  -4.9889   11.418   6.1923   2.8805   6.5566   2.9781 -0.3642836 4.143177 
1 1 1   27   14   19 o   35.838   1.0858  174.302   10.451  161.893   14.135  189.266   15.523   34.361   1.5316   37.141   1.5560 -2.779305 2.183370 
1 1 1   27   14   20 o   14.131   2.3362   28.803   8.5569   27.669   10.665   30.853   14.336   13.565   3.0062   14.011   3.7396 -0.4460669 4.798132 
1 1 1   27   14   21 o   14.701   2.2708   31.085   8.6776   43.064   12.567   20.171   11.996   17.068   2.8413   11.457   3.5405 5.610801 4.539583 
1 1 1   27   14   22 o   15.496   2.1293   34.298   8.6284   40.091   11.011   25.081   13.889   16.571   2.5561   12.571   3.7951 3.999243 4.575662 
1 1 1   27   14   23 o   14.553   2.1018   30.351   7.9776   29.369   10.916   31.477   11.688   13.885   3.0134   14.327   3.1252 -0.4426308 4.341413 
1 1 1   27   14   24 o   18.578   1.6963   48.302   8.3710   58.095   12.040   39.136   11.647   20.084   2.2719   16.169   2.7822 3.914555 3.591902 
1 1 1   27   14   25 o   16.171   1.9610   37.306   8.3431   33.035   10.742   43.799   13.246   14.766   2.8110   16.913   3.0270 -2.146614 4.130911 
1 1 1   27   14   26 o   5.5077   2.4802  -2.5046   7.7203   11.189   10.159 -21.2276   11.878   8.9105   3.2570   5.0827   2.4986 3.827726 4.105040 
1 1 1   27   14   27 o   26.508   1.5094   97.876   10.703  104.020   15.665   92.498   14.656   26.808   2.1948   25.285   2.1794 1.523521 3.093092 
1 1 1   27   14   28 o   17.057   2.2201   42.708   9.9301   28.852   16.934   49.969   12.259   12.666   4.2352   18.213   2.5780 -5.546655 4.958116 
1 1 1   27   14   29 o   13.489   3.6117   31.079   13.346   42.420   29.849   28.246   14.920   13.756   5.4447   12.592   3.9579 1.163992 6.731266 
1 1 1   27   14   30 o   14.270   3.5707   34.987   13.652   43.750   30.043   32.706   15.326   13.618   5.4394   13.405   3.9731 0.2130165 6.735949 
1 1 1   27   14   31 o   6.7741   3.1970  -8.7545   15.198  -6.4510   28.053  -9.7115   18.081   8.9542   4.2603   7.2885   3.4539 1.665727 5.484517 
1 1 1   27   14   32 o   12.850   5.0968   39.730   26.208   0.0000   0.0000   39.730   26.208  ?   ?    12.850   5.0968 0.000000 5.096795 
1 1 1   27   15  -26 o   12.196   4.3163   27.450   17.674   27.450   17.674   0.0000   0.0000   12.196   4.3163  ?   ?  0.000000 4.316350 
1 1 1   27   15  -25 f   16.002   4.1481   45.543   17.976   45.543   17.976   0.0000   0.0000   16.002   4.1481  ?   ?  0.000000 4.148131 
1 1 1   27   15  -24 o   9.2417   3.8954   8.6537   16.518   8.6537   16.518   0.0000   0.0000   9.2417   3.8954  ?   ?  0.000000 3.895449 
1 1 1   27   15  -23 o   12.569   3.6930   26.246   13.291   31.010   18.209   20.813   19.446   13.225   4.3907   11.414   4.4309 1.811195 6.237875 
1 1 1   27   15  -22 o   14.311   3.4059   32.761   12.903   39.384   17.298   24.454   19.372   15.179   4.1319   12.112   4.4858 3.067255 6.098807 
1 1 1   27   15  -21 o   10.947   3.6872   18.800   12.836   14.100   16.912   25.186   19.714   10.329   4.0952   12.344   4.5334 -2.014660 6.109266 
1 1 1   27   15  -20 o   16.515   2.3978   39.728   10.325   47.417   18.069   36.000   12.582   16.979   4.0238   15.283   3.1690 1.695398 5.121908 
1 1 1   27   15  -19 o   6.2554   2.7921  -2.2471   9.5511  -8.8912   15.698   1.6577   12.035   7.2593   3.3678   7.5754   3.2629 -0.3161745 4.689136 
1 1 1   27   15  -18 o   44.530   1.5321  272.874   18.325   0.0000   0.0000  272.874   18.325  ?   ?    44.530   1.5321 0.000000 1.532110 
1 1 1   27   15  -17 o   6.4423   2.6544   2.5846   7.4170  -1.4322   9.3286   9.4877   12.229   6.3321   2.7964   9.0374   3.5123 -2.705332 4.489551 
1 1 1   27   15  -16 o   19.225   1.6670   51.319   8.5226   49.291   11.391   53.896   12.845   18.551   2.3381   19.306   2.5386 -0.7550621 3.451227 
1 1 1   27   15  -15 o   23.664   1.3054   76.621   8.2648   76.229   10.136   77.400   14.278   23.487   1.6165   23.335   2.3083 0.1521358 2.818001 
1 1 1   27   15  -14 o   26.547   1.1067   95.702   7.8909  101.762   10.297   87.079   12.283   27.246   1.4118   25.019   1.8408 2.227129 2.319901 
1 1 1   27   15  -13 o   26.685   1.0927   96.647   7.8317   86.397   10.034  112.627   12.528   25.073   1.4968   28.576   1.6391 -3.502991 2.219686 
1 1 1   27   15  -12 o   19.077   1.5002   50.120   7.6248   59.018   10.910   41.625   10.660   20.520   2.0052   17.044   2.3947 3.475380 3.123343 
1 1 1   27   15  -11 f   6.2043   2.4912   2.9688   6.3379   4.8952   8.1763   0.0688   10.032   7.2368   2.8543   6.8453   2.9636 0.3915191 4.114595 
1 1 1   27   15  -10 o   23.052   1.2131   72.448   7.4847   71.488   10.034   73.653   11.238   22.754   1.6531   23.027   1.8322 -0.2726650 2.467726 
1 1 1   27   15   -9 o   14.119   1.8218   27.927   6.7476   27.059   9.1306   28.972   10.016   13.623   2.5900   14.042   2.7540 -0.4188566 3.780515 
1 1 1   27   15   -8 o   32.705   1.0290  144.913   9.0391  148.512   13.253  141.783   12.360   32.949   1.4976   32.220   1.4282 0.7284813 2.069448 
1 1 1   27   15   -7 o   26.104   1.1052   92.437   7.7492   87.745   10.573   97.883   11.391   25.261   1.5661   26.673   1.5973 -1.412039 2.236959 
1 1 1   27   15   -6 o   27.760   1.2148  104.743   9.0579  107.044   12.126  101.838   13.624   27.887   1.6260   27.085   1.8844 0.8015079 2.488977 
1 1 1   27   15   -5 o   34.132   0.9566  157.628   8.7695  163.882   12.435  151.441   12.369   34.681   1.3350   33.321   1.3821 1.359631 1.921522 
1 1 1   27   15   -4 o   17.779   1.5612   43.604   7.3797   43.266   10.643   43.917   10.241   17.433   2.3314   17.613   2.2137 -0.1802311 3.214952 
1 1 1   27   15   -3 o   19.238   1.4296   50.797   7.3343   50.499   9.9122   51.158   10.903   19.000   1.9710   19.046   2.1700 -0.4606628E-01 2.931528 
1 1 1   27   15   -2 o   25.435   1.2265   87.944   8.3787   88.339   12.624   87.633   11.202   25.224   1.8768   25.211   1.6636 0.1339149E-01 2.507972 
1 1 1   27   15   -1 o   16.320   1.7714   37.076   7.6399   50.397   10.251   20.434   11.458   18.952   2.0463   11.636   3.4318 7.316570 3.995585 
1 1 1   27   15    0 o   33.487   1.1222  152.142   10.094  167.199   12.451  123.280   17.239   35.035   1.3232   29.658   2.1793 5.376966 2.549549 
1 1 1   27   15    1 o   8.3563   2.7449   9.7165   7.1233   29.465   9.7426 -12.9658   10.441   14.216   2.6490   5.3597   2.5636 8.856741 3.686319 
1 1 1   27   15    2 o   16.960   1.6414   39.818   7.3835   42.902   9.7933   35.757   11.239   17.437   2.1357   15.640   2.7772 1.796722 3.503451 
1 1 1   27   15    3 o   28.294   1.1312  108.633   8.5965  116.226   12.106  100.910   12.210   29.094   1.5548   27.049   1.6890 2.044289 2.295680 
1 1 1   27   15    4 o   28.599   1.1093  110.945   8.5211  115.186   11.377  105.526   12.860   28.998   1.4655   27.641   1.7411 1.357416 2.275763 
1 1 1   27   15    5 o   22.040   1.3339   66.416   7.8592   70.949   10.706   61.118   11.573   22.630   1.7757   20.869   2.0930 1.761253 2.744736 
1 1 1   27   15    6 o   16.003   1.7815   35.688   7.5276   38.650   10.100   31.989   11.290   16.452   2.3528   14.692   2.9632 1.759643 3.783642 
1 1 1   27   15    7 o   5.3881   2.3898  -1.8136   6.8848  -2.7741   8.9469  -0.4190   10.781   6.0328   2.6968   7.0080   3.0530 -0.9751992 4.073536 
1 1 1   27   15    8 o   25.101   1.3099   86.042   8.8005   82.938   11.678   90.122   13.388   24.467   1.7894   25.426   1.9759 -0.9590073 2.665763 
1 1 1   27   15    9 o   6.4286   2.6862   1.8313   7.7478   1.0695   10.961   2.5920   10.953   7.2951   3.1274   7.5489   3.1765 -0.2538199 4.457661 
1 1 1   27   15   10 o   19.593   1.7073   53.193   8.8948   58.435   11.821   46.353   13.505   20.344   2.1983   17.758   2.9340 2.585873 3.666172 
1 1 1   27   15   11 f   12.372   2.4991   22.330   8.0190   28.005   11.187   16.331   11.501   13.644   3.1204   10.562   3.4886 3.081947 4.680516 
1 1 1   27   15   12 o   21.781   1.3862   65.023   8.0673   56.096   10.818   76.205   12.108   19.985   2.0442   23.365   1.9470 -3.380779 2.823107 
1 1 1   27   15   13 o   7.2388   2.7541   5.7520   7.4087   11.948   9.9606  -1.9206   11.084   9.3066   3.2445   6.8568   3.0371 2.449872 4.444182 
1 1 1   27   15   14 o   8.0249   2.8504   8.4118   7.7142  -0.8704   10.452   19.518   11.433   6.8101   2.9853   11.336   3.4479 -4.525846 4.560757 
1 1 1   27   15   15 o   4.4299   2.1206  -9.2828   7.1789 -17.9361   9.3217   3.3301   11.254   4.5084   2.2157   7.7166   3.2320 -3.208181 3.918571 
1 1 1   27   15   16 o   15.539   2.0496   34.247   8.3457   41.176   12.015   27.788   11.601   16.726   2.7717   13.473   3.2444 3.252432 4.267150 
1 1 1   27   15   17 o   19.921   1.6409   55.074   8.7014   47.947   12.654   61.468   11.985   18.098   2.6844   20.807   2.1768 -2.708921 3.456094 
1 1 1   27   15   18 o   11.517   2.7186   19.876   8.2748   16.045   11.791   23.594   11.616   10.391   3.5337   12.308   3.4008 -1.916747 4.904337 
1 1 1   27   15   19 o   37.614   1.0935  192.522   11.047  176.068   15.327  210.309   15.937   35.707   1.5982   39.077   1.5184 -3.370247 2.204445 
1 1 1   27   15   20 o   4.7806   2.2875 -10.2233   8.3329 -23.1806   10.311   14.175   14.149   4.4747   2.2228   10.108   3.8155 -5.633262 4.415692 
1 1 1   27   15   21 o   6.4583   2.7557   1.3464   8.4379  -1.8490   12.038   4.4324   11.830   7.0195   3.1338   7.9102   3.3134 -0.8907156 4.560627 
1 1 1   27   15   22 o   7.8730   2.9126   8.0697   8.1620   5.2058   11.650   10.831   11.439   7.9668   3.3084   9.0151   3.4240 -1.048387 4.761203 
1 1 1   27   15   23 o   21.128   1.6649   62.661   9.3717   82.142   14.338   48.129   12.383   23.785   2.2719   17.916   2.6536 5.868942 3.493313 
1 1 1   27   15   24 o   8.4468   3.2711   9.1668   10.578   10.871   14.580   7.2729   15.371   9.3197   3.7656   8.8749   3.7502 0.4448652 5.314530 
1 1 1   27   15   25 f   14.888   2.6330   33.798   10.143   32.119   15.063   35.191   13.720   13.559   3.9166   14.518   3.5484 -0.9596348 5.285025 
1 1 1   27   15   26 o   17.099   2.6491   44.732   11.773   49.575   18.163   41.223   15.461   16.662   4.0890   15.462   3.7592 1.199839 5.554433 
1 1 1   27   15   27 o   15.841   3.2531   41.236   13.378   32.060   28.690   43.785   15.123   12.351   5.1657   15.999   3.6057 -3.647328 6.299603 
1 1 1   27   15   28 o   11.902   4.0936   26.677   15.831   54.800   29.118   14.876   18.862   14.860   5.5004   9.9331   4.1735 4.926517 6.904519 
1 1 1   27   15   29 o   9.4194   4.1020   11.430   19.445   22.260   27.021  -0.2022   28.004   10.918   4.7927   9.2147   4.3461 1.703133 6.469782 
1 1 1   27   15   30 o   11.432   5.0356   30.340   30.059   0.0000   0.0000   30.340   30.059  ?   ?    11.432   5.0356 0.000000 5.035588 
1 1 1   27   16  -25 o   7.5815   3.6369 -13.6100   21.359 -13.6100   21.359   0.0000   0.0000   7.5815   3.6369  ?   ?  0.000000 3.636898 
1 1 1   27   16  -24 o   7.9188   3.5563   1.1846   15.750   1.1846   15.750   0.0000   0.0000   7.9188   3.5563  ?   ?  0.000000 3.556297 
1 1 1   27   16  -23 o   18.469   3.7286   58.305   17.859   58.305   17.859   0.0000   0.0000   18.469   3.7286  ?   ?  0.000000 3.728618 
1 1 1   27   16  -22 o   12.871   3.4437   27.721   12.138   25.235   16.545   30.618   17.863   11.871   4.1789   12.837   4.3495 -0.9661608 6.031721 
1 1 1   27   16  -21 o   8.4138   3.4351   7.8091   12.281   2.0728   16.165   15.641   18.889   8.2791   3.6674   10.418   4.2574 -2.138435 5.619221 
1 1 1   27   16  -20 o   10.449   3.6502   17.451   12.611   20.497   17.080   13.800   18.699   11.177   4.1977   10.226   4.2140 0.9515953 5.948041 
1 1 1   27   16  -19 o   9.0421   3.4989   10.798   12.096   3.6344   16.408   19.324   17.901   8.6207   3.7607   11.092   4.2665 -2.471601 5.687333 
1 1 1   27   16  -18 o   21.414   2.4116   67.065   13.629   68.235   18.719   65.744   19.883   20.744   3.4831   20.039   3.8339 0.7052631 5.179871 
1 1 1   27   16  -17 o   5.4739   2.6363 -14.6054   11.481 -52.3200   24.659  -4.1674   12.973   6.6928   3.3425   6.9715   3.1695 -0.2787495 4.606363 
1 1 1   27   16  -16 o   26.448   1.7225   97.704   12.170   77.340   27.494  102.665   13.571   20.750   4.9936   27.014   1.8822 -6.263981 5.336518 
1 1 1   27   16  -15 o   30.251   1.4767  126.023   11.999  148.900   20.265  113.673   14.889   32.199   2.3596   28.403   1.9637 3.795982 3.069846 
1 1 1   27   16  -14 o   12.719   2.2784   23.559   7.4973   21.351   9.3482   27.540   12.552   11.828   2.9520   13.205   3.4872 -1.377302 4.568918 
1 1 1   27   16  -13 o   17.169   2.0449   41.868   9.2443   46.423   12.821   36.936   13.342   17.703   2.7886   15.464   3.3119 2.238574 4.329560 
1 1 1   27   16  -12 o   14.507   1.9145   29.787   7.2774   23.649   9.6609   37.838   11.065   12.499   2.9289   16.033   2.6629 -3.534541 3.958493 
1 1 1   27   16  -11 o   19.464   1.5071   52.342   7.8171   46.868   10.706   58.594   11.441   18.103   2.2504   20.329   2.1268 -2.226076 3.096374 
1 1 1   27   16  -10 o   6.8398   2.7596   3.7842   7.8179  -0.2064   9.7225   11.085   13.150   6.6600   2.9004   9.5018   3.6563 -2.841825 4.666961 
1 1 1   27   16   -9 f   12.098   2.3873   21.367   7.4819   17.734   10.844   24.667   10.336   10.823   3.3696   12.752   3.0574 -1.928958 4.549942 
1 1 1   27   16   -8 o   32.855   1.0411  146.481   9.1872  160.957   13.176  132.783   12.817   34.284   1.4309   31.094   1.5347 3.189865 2.098238 
1 1 1   27   16   -7 o   27.066   1.1413   99.595   8.2967  110.170   10.975   85.494   12.674   28.327   1.4474   24.734   1.9228 3.592646 2.406670 
1 1 1   27   16   -6 o   30.897   1.0206  129.452   8.4695  123.306   11.637  136.374   12.350   30.009   1.4438   31.554   1.4572 -1.544535 2.051322 
1 1 1   27   16   -5 o   30.284   1.0965  124.541   8.9190  122.176   12.986  126.653   12.271   29.755   1.6311   30.392   1.5032 -0.6373177 2.218171 
1 1 1   27   16   -4 o   12.743   2.2001   23.338   7.2578   22.591   10.060   24.149   10.481   12.223   3.0688   12.625   3.1109 -0.4022865 4.369828 
1 1 1   27   16   -3 o   13.669   2.3032   26.922   8.1554   16.820   13.387   32.883   10.284   10.769   3.7610   14.989   2.6514 -4.220240 4.601631 
1 1 1   27   16   -2 o   7.9570   2.7720   8.4419   7.2701   15.959   10.719   2.0373   9.8938   10.390   3.3645   7.1240   3.0094 3.265924 4.514038 
1 1 1   27   16   -1 o   22.934   1.3769   72.100   8.4421   81.008   11.031   59.509   13.115   24.184   1.7093   20.381   2.4446 3.803499 2.982927 
1 1 1   27   16    0 o   6.1881   2.5577   2.1186   6.9159   0.5263   9.5490   3.8753   10.030   6.7531   2.9075   7.5044   3.0887 -0.7512636 4.241913 
1 1 1   27   16    1 o   9.7664   2.8131   14.108   7.7808   9.7689   10.562   19.258   11.506   8.8597   3.3061   11.268   3.4650 -2.408566 4.789188 
1 1 1   27   16    2 o   28.346   1.1379  109.182   8.6633  102.456   11.725  117.269   12.856   27.256   1.6088   29.147   1.6490 -1.890882 2.303760 
1 1 1   27   16    3 o   17.076   1.7445   40.632   7.8889   34.770   10.412   48.532   12.088   15.445   2.6025   18.343   2.5201 -2.898207 3.622673 
1 1 1   27   16    4 o   10.656   2.5757   16.776   7.2900   13.233   9.8380   21.090   10.856   9.6108   3.2280   11.758   3.3018 -2.147026 4.617577 
1 1 1   27   16    5 o   7.7439   2.8305   7.4518   7.6719   4.7889   10.062   11.150   11.858   7.6842   3.1200   9.3614   3.5012 -1.677129 4.689612 
1 1 1   27   16    6 o   6.2615   2.6156   1.8033   7.3432  -4.5006   9.9361   9.3906   10.901   6.1084   2.7759   8.8214   3.3444 -2.712997 4.346310 
1 1 1   27   16    7 o   6.4516   2.6355   2.8289   7.2345  -1.0610   9.6817   7.7470   10.886   6.5232   2.8660   8.4643   3.3070 -1.941103 4.376153 
1 1 1   27   16    8 o   14.071   2.2337   28.441   8.1596   41.629   11.697   15.940   11.388   16.873   2.6698   10.395   3.4731 6.478563 4.380672 
1 1 1   27   16    9 f   9.9721   2.8968   14.835   8.2194   24.128   10.526   0.3128   13.158   12.584   3.1277   7.7223   3.3683 4.862005 4.596481 
1 1 1   27   16   10 o   16.227   1.8522   36.989   7.9280   45.374   10.715   26.847   11.784   17.797   2.2952   13.188   3.3271 4.608816 4.041949 
1 1 1   27   16   11 o   29.497   1.1855  118.526   9.3928  140.540   13.499   97.867   13.078   31.949   1.5731   26.479   1.8504 5.469944 2.428769 
1 1 1   27   16   12 o   23.286   1.4739   74.755   9.1712   76.762   13.374   72.972   12.601   23.258   2.1658   22.714   2.0888 0.5433521 3.008964 
1 1 1   27   16   13 o   24.888   1.3051   84.934   8.6938   96.293   11.590   70.318   13.147   26.347   1.6460   22.197   2.2355 4.150320 2.776125 
1 1 1   27   16   14 o   23.070   1.3602   73.195   8.3915   75.204   11.212   70.636   12.653   23.177   1.8156   22.283   2.1405 0.8939648 2.806767 
1 1 1   27   16   15 o   27.686   1.2580  104.836   9.3549  110.575   13.135   98.929   13.326   28.150   1.7459   26.541   1.8816 1.609571 2.566832 
1 1 1   27   16   16 o   4.9242   2.3136  -7.0447   7.8012  -9.2422   10.640  -4.4900   11.472   5.7165   2.6909   6.5271   2.9726 -0.8105927 4.009609 
1 1 1   27   16   17 o   20.366   1.7740   58.339   9.6075   68.957   14.921   50.819   12.557   21.607   2.6250   18.536   2.5931 3.071035 3.689832 
1 1 1   27   16   18 o   38.616   1.3102  204.936   13.590  223.135   24.423  196.775   16.355   39.291   2.3246   37.615   1.6189 1.676281 2.832783 
1 1 1   27   16   19 o   6.0845   2.7179  -1.7929   9.0696  -8.8241   11.725   8.6804   14.310   6.0542   2.8419   8.9822   3.6923 -2.927976 4.659293 
1 1 1   27   16   20 o   4.3424   2.1205 -13.5255   8.1310  -8.2851   11.591 -18.6035   11.410   6.0469   2.8343   5.0944   2.4928 0.9525170 3.774594 
1 1 1   27   16   21 o   17.018   2.0931   42.119   9.3658   49.752   14.121   36.123   12.515   17.799   3.0642   15.010   3.2019 2.789756 4.431892 
1 1 1   27   16   22 o   8.4107   3.1431   9.9725   9.5529   3.2117   14.183   15.587   12.924   7.9972   3.4923   9.9274   3.6666 -1.930223 5.063607 
1 1 1   27   16   23 o   7.0870   3.1064   1.4090   11.315   8.5326   17.472  -3.7370   14.850   9.1388   3.9339   7.2618   3.3352 1.877050 5.157385 
1 1 1   27   16   24 o   6.6098   2.9768  -1.3681   11.125   20.328   17.761 -15.3766   14.271   10.761   4.2186   6.0525   2.9211 4.708075 5.131198 
1 1 1   27   16   25 o   19.120   3.2352   60.361   16.021   55.490   28.830   62.538   19.271   14.904   5.4809   18.592   3.9794 -3.687594 6.773178 
1 1 1   27   16   26 f   7.5741   3.5946  -8.6738   19.728 -50.8600   26.900   40.420   29.019   6.7303   3.3798   12.702   5.2438 -5.972087 6.238658 
1 1 1   27   16   27 o   12.319   5.1901   39.470   29.300   0.0000   0.0000   39.470   29.300  ?   ?    12.319   5.1901 0.000000 5.190107 
1 1 1   27   16   28 o   12.660   5.4220   48.810   32.886   0.0000   0.0000   48.810   32.886  ?   ?    12.660   5.4220 0.000000 5.422039 
1 1 1   27   17  -23 o   11.778   4.2243   28.055   16.982   28.055   16.982   0.0000   0.0000   11.778   4.2243  ?   ?  0.000000 4.224254 
1 1 1   27   17  -22 o   16.553   4.1371   51.941   18.343   51.941   18.343   0.0000   0.0000   16.553   4.1371  ?   ?  0.000000 4.137137 
1 1 1   27   17  -21 o   13.031   4.1634   32.658   16.455   32.658   16.455   0.0000   0.0000   13.031   4.1634  ?   ?  0.000000 4.163426 
1 1 1   27   17  -20 o   6.8294   3.0382   0.1141   11.210   7.8637   15.568  -8.2301   16.154   8.7196   3.7323   7.0615   3.3214 1.658076 4.996185 
1 1 1   27   17  -19 o   8.0164   3.3612   6.2519   12.193   0.2868   16.740   12.994   17.796   8.0447   3.6346   9.7438   4.0712 -1.699121 5.457595 
1 1 1   27   17  -18 o   13.465   3.4740   30.516   12.648   34.207   16.665   25.500   19.424   13.660   4.1645   11.790   4.4657 1.869899 6.106152 
1 1 1   27   17  -17 o   33.762   1.7608  161.401   15.912  152.626   21.491  172.049   23.674   31.981   2.5224   33.823   2.6265 -1.841576 3.641579 
1 1 1   27   17  -16 o   9.0576   3.7387   9.3923   14.749   21.710   25.662   3.3172   18.022   11.603   4.8712   8.7529   3.8751 2.850450 6.224558 
1 1 1   27   17  -15 o   12.416   5.5187   24.320   36.904   0.0000   0.0000   24.320   36.904  ?   ?    12.416   5.5187 0.000000 5.518663 
1 1 1   27   17  -14 f   8.9141   3.6792   8.3821   14.282   25.920   22.649  -3.1957   18.402   12.239   4.7733   8.2272   3.7538 4.011758 6.072505 
1 1 1   27   17  -13 o   27.683   2.0150  109.240   14.879  127.130   20.613   89.777   21.500   29.275   2.6503   23.806   3.4640 5.468668 4.361585 
1 1 1   27   17  -12 f   27.450   1.8367  106.197   13.464  106.197   13.464   0.0000   0.0000   27.450   1.8367  ?   ?  0.000000 1.836739 
1 1 1   27   17  -11 o   26.874   1.2744   99.040   9.1989   99.884   11.789   97.726   14.709   26.758   1.6483   26.158   2.1117 0.6003246 2.678797 
1 1 1   27   17  -10 o   9.0553   2.7539   12.287   7.2939   9.1433   10.153   15.638   10.485   8.4946   3.2260   10.111   3.3306 -1.616189 4.636765 
1 1 1   27   17   -9 o   22.845   1.3672   71.930   8.3504   79.244   11.870   64.766   11.749   23.720   1.8785   21.319   2.0783 2.400637 2.801494 
1 1 1   27   17   -8 o   18.349   1.6530   47.028   8.0589   56.561   11.294   37.138   11.503   19.885   2.1487   15.716   2.8291 4.168416 3.552572 
1 1 1   27   17   -7 o   8.2597   2.7901   9.6661   7.3501   11.017   10.438   8.3377   10.352   9.0061   3.3000   8.3879   3.2394 0.6181746 4.624263 
1 1 1   27   17   -6 o   4.7350   2.2288  -6.9570   7.2978  -7.7881   10.413  -6.1548   10.230   5.8151   2.7129   5.9450   2.7441 -0.1299076 3.858725 
1 1 1   27   17   -5 o   18.588   1.7536   48.397   8.6517   49.391   13.819   47.757   11.095   18.146   2.9356   18.189   2.3243 -0.4268265E-01 3.744343 
1 1 1   27   17   -4 o   6.3997   2.6931   1.8103   7.8738   10.200   12.485  -3.7305   10.146   9.1541   3.5513   6.2365   2.8225 2.917637 4.536331 
1 1 1   27   17   -3 o   15.623   2.1908   35.076   8.9401   30.483   12.868   39.363   12.430   13.919   3.4574   16.154   2.9745 -2.234517 4.560790 
1 1 1   27   17   -2 o   13.387   2.2588   25.997   7.8328   20.380   11.451   30.936   10.738   11.436   3.4445   14.326   2.8903 -2.889833 4.496441 
1 1 1   27   17   -1 o   18.871   1.7364   49.783   8.7023   48.233   13.483   50.889   11.393   17.978   2.8903   18.809   2.3033 -0.8316917 3.695813 
1 1 1   27   17    0 o   25.689   1.3556   90.651   9.3199   88.194   14.444   92.404   12.199   24.902   2.1815   25.733   1.7759 -0.8310757 2.812976 
1 1 1   27   17    1 o   14.250   2.1430   29.177   7.9482   31.166   11.337   27.255   11.147   14.303   3.0444   13.297   3.1664 1.006347 4.392586 
1 1 1   27   17    2 o   19.193   1.6948   51.399   8.6470   60.691   11.993   41.337   12.479   20.616   2.1997   16.608   2.9033 4.007999 3.642522 
1 1 1   27   17    3 o   11.667   2.5696   20.272   7.8344   35.331   11.272   6.1988   10.897   15.360   2.8366   8.0840   3.2592 7.276211 4.320767 
1 1 1   27   17    4 o   16.298   1.9330   37.613   8.2968   45.754   11.361   28.309   12.145   17.738   2.4501   13.444   3.3700 4.293912 4.166453 
1 1 1   27   17    5 o   7.8097   2.8325   7.9235   7.6618   6.9310   10.781   8.9364   10.891   8.1936   3.2630   8.6279   3.3253 -0.4342461 4.658799 
1 1 1   27   17    6 o   7.5233   2.9818   5.6765   8.9639  -3.9633   12.982   14.460   12.392   7.0484   3.1911   10.010   3.6066 -2.961809 4.815711 
1 1 1   27   17    7 o   8.1199   2.9628   8.6465   8.4009   0.0330   10.855   21.513   13.266   6.9843   3.0525   11.640   3.7403 -4.655389 4.827807 
1 1 1   27   17    8 o   14.713   2.1264   31.157   8.1592   36.981   11.420   25.083   11.662   15.692   2.8129   12.601   3.3770 3.090365 4.395051 
1 1 1   27   17    9 o   13.667   2.4548   27.570   8.6798   32.122   11.627   21.839   13.045   14.429   3.0930   11.680   3.7044 2.749259 4.825887 
1 1 1   27   17   10 o   4.2418   2.0746 -13.8191   7.8739   3.6142   11.217 -30.7556   11.056   7.6272   3.2122   4.2920   2.1569 3.335200 3.869171 
1 1 1   27   17   11 o   10.695   2.9181   17.647   8.6157   15.622   12.976   19.244   11.522   10.212   3.6889   11.019   3.4800 -0.8075886 5.071314 
1 1 1   27   17   12 f   7.0784   2.8932   4.1759   8.7244   3.4777   12.830   4.7764   11.899   7.9366   3.3925   7.9409   3.3244 -0.4259109E-02 4.749804 
1 1 1   27   17   13 o   5.7960   2.5700  -1.2671   7.9577  -6.5959   11.094   4.3812   11.421   6.1097   2.8332   7.7463   3.2508 -1.636627 4.312158 
1 1 1   27   17   14 f   9.5698   2.9304   14.139   8.2399   3.5714   11.300   26.137   12.041   7.5587   3.2059   12.655   3.4484 -5.095843 4.708482 
1 1 1   27   17   15 o   5.1329   2.3867  -5.5428   7.9551 -13.1671   11.165   2.3202   11.338   5.4464   2.6171   7.3401   3.1642 -1.893740 4.106287 
1 1 1   27   17   16 o   12.811   2.7384   25.373   9.1370   33.198   14.332   20.014   11.860   13.966   3.7441   11.013   3.5363 2.952999 5.150105 
1 1 1   27   17   17 o   22.882   1.8833   74.900   11.472   59.466   15.245   95.047   17.419   19.490   3.0092   25.107   2.6216 -5.617228 3.991015 
1 1 1   27   17   18 o   8.6944   3.1832   11.164   9.7089   5.3686   13.583   17.218   13.883   8.1675   3.4909   10.266   3.7985 -2.098411 5.158921 
1 1 1   27   17   19 o   11.480   3.3687   22.206   11.066   27.800   14.614   14.687   16.941   12.431   3.9185   9.9206   4.0406 2.510864 5.628537 
1 1 1   27   17   20 o   35.715   1.7574  181.645   16.858  188.761   23.112  173.555   24.644   35.423   2.4441   33.467   2.7664 1.955994 3.691427 
1 1 1   27   17   21 o   7.2723   3.2468   0.8079   12.923   12.429   17.600 -12.7885   19.037   9.4819   4.0101   7.2323   3.4599 2.249560 5.296424 
1 1 1   27   17   22 o   18.046   2.9213   52.469   13.676   53.118   18.501   51.688   20.306   16.752   4.1365   15.931   4.5305 0.8211536 6.134818 
1 1 1   27   17   23 o   8.2729   3.4311   8.8160   12.507   15.912   16.435  -0.9480   19.278   9.7149   3.9709   8.0605   3.7368 1.654427 5.452688 
1 1 1   27   17   24 o   7.7088   3.3990   4.3264   13.729  -5.8280   24.274   9.1020   16.647   8.2482   3.9351   8.6879   3.7890 -0.4396887 5.462730 
1 1 1   27   17   25 o   14.501   4.4029   45.251   18.655   34.940   24.354   59.890   29.019   11.799   4.8296   14.324   5.4504 -2.524769 7.282279 
1 1 1   27   18  -22 o   6.4450   3.2448 -46.8500   25.634 -46.8500   25.634   0.0000   0.0000   6.4450   3.2448  ?   ?  0.000000 3.244817 
1 1 1   27   18  -21 o   10.696   4.4615   24.970   21.322   24.970   21.322   0.0000   0.0000   10.696   4.4615  ?   ?  0.000000 4.461535 
1 1 1   27   18  -20 o   6.0894   2.9661 -17.1485   15.627 -17.1485   15.627   0.0000   0.0000   6.0894   2.9661  ?   ?  0.000000 2.966131 
1 1 1   27   18  -19 o   7.0849   3.2073  -0.0270   13.110   1.6338   15.540  -4.1270   24.417   7.7130   3.4918   8.4303   4.0004 -0.7173929 5.309988 
1 1 1   27   18  -18 o   8.3102   3.4097   9.1243   12.176   6.9486   17.375   11.224   17.068   8.6317   3.8140   9.1277   3.9075 -0.4959593 5.460346 
1 1 1   27   18  -17 o   10.728   4.2701   21.433   18.454   44.910   27.316   1.7190   25.031   13.494   5.2479   9.0731   4.2238 4.421193 6.736510 
1 1 1   27   18  -16 o   9.4224   3.5280   14.389   12.047   12.022   16.267   17.264   17.928   9.3065   3.8907   10.179   4.1524 -0.8721018 5.690379 
1 1 1   27   18  -15 o   10.562   3.5339   19.175   11.791   18.248   16.202   20.219   17.191   10.348   4.0369   10.697   4.1623 -0.3491411 5.798378 
1 1 1   27   18  -14 o   21.195   2.8755   70.472   15.947   58.300   26.720   77.205   19.874   16.083   5.3178   21.399   3.5846 -5.315762 6.413133 
1 1 1   27   18  -13 o   16.434   3.4969   45.317   14.962   50.770   23.222   41.447   19.563   15.648   4.9402   14.583   4.5237 1.064791 6.698472 
1 1 1   27   18  -12 o   17.372   2.9012   47.255   13.060   45.462   17.908   49.292   19.086   15.831   4.1580   16.364   4.2901 -0.5325308 5.974451 
1 1 1   27   18  -11 o   8.3245   3.4341   7.4441   12.434   8.5535   16.603   6.0276   18.763   9.1091   3.8756   9.0875   3.9913 0.2163219E-01 5.563325 
1 1 1   27   18  -10 o   11.079   3.6470   20.590   12.573   21.826   13.338   10.730   37.674   11.335   3.7575   11.265   5.2230 0.6947041E-01 6.434226 
1 1 1   27   18   -9 o   8.2556   3.1186   9.2052   9.4571   5.6795   10.581   23.210   21.088   7.7123   3.1731   11.615   4.5831 -3.903138 5.574367 
1 1 1   27   18   -8 o   12.427   2.6640   23.721   8.6247   24.464   10.897   22.474   14.112   12.283   3.2518   11.518   3.8661 0.7641640 5.051854 
1 1 1   27   18   -7 o   9.3557   2.9917   13.528   8.4951   8.0578   10.737   22.685   13.891   8.2369   3.2638   11.603   3.8341 -3.365763 5.035192 
1 1 1   27   18   -6 f   14.735   2.5584   32.681   9.7580   31.645   13.423   33.843   14.210   13.813   3.5864   14.218   3.6893 -0.4055605 5.145214 
1 1 1   27   18   -5 o   13.929   2.4362   28.954   8.7825   28.012   11.357   30.355   13.852   13.228   3.2255   13.456   3.7119 -0.2273684 4.917561 
1 1 1   27   18   -4 o   15.067   2.4862   33.867   9.7102   23.684   11.707   56.313   17.382   12.049   3.4447   18.602   3.6091 -6.553070 4.989110 
1 1 1   27   18   -3 o   31.950   1.1898  139.898   10.210  146.486   14.296  133.038   14.587   32.357   1.6504   30.737   1.7745 1.620737 2.423374 
1 1 1   27   18   -2 o   10.933   3.0820   18.857   9.4400   20.546   14.924   17.731   12.188   11.215   3.9667   10.561   3.5927 0.6545849 5.351826 
1 1 1   27   18   -1 o   5.0183   2.3260  -5.0680   7.4643  -8.5410   10.645  -1.7090   10.469   5.7458   2.7005   6.5342   2.9194 -0.7884064 3.976889 
1 1 1   27   18    0 o   32.935   1.2084  148.715   10.690  167.763   17.114  136.529   13.688   34.464   1.8556   31.255   1.6363 3.209213 2.474024 
1 1 1   27   18    1 o   10.220   2.9236   16.240   8.4305   20.171   12.991   13.381   11.080   11.135   3.7092   9.4947   3.4115 1.640466 5.039506 
1 1 1   27   18    2 o   11.298   2.6819   19.557   8.0166   24.796   11.478   14.569   11.201   12.385   3.3636   9.7780   3.4388 2.606959 4.810297 
1 1 1   27   18    3 o   5.8679   2.6003  -1.1511   8.1333   11.186   11.173 -15.0592   11.863   8.9995   3.3921   5.5226   2.6648 3.476923 4.313609 
1 1 1   27   18    4 o   10.730   2.9256   18.003   8.6638   15.157   13.698   19.901   11.185   10.056   3.7627   11.098   3.4168 -1.042515 5.082553 
1 1 1   27   18    5 o   20.493   1.7299   59.260   9.4325   55.334   12.473   64.505   14.416   19.338   2.4569   20.749   2.6471 -1.410780 3.611527 
1 1 1   27   18    6 f   6.4049   2.7879   0.4927   8.9740  -5.9079   10.547   17.283   17.082   5.9914   2.7728   10.637   4.1462 -4.645279 4.987920 
1 1 1   27   18    7 o   7.7147   2.9398   7.5064   8.4499   16.388   11.294  -3.7885   12.736   10.162   3.4584   6.8615   3.1276 3.300612 4.662847 
1 1 1   27   18    8 o   12.065   2.7755   22.612   8.8069   29.848   11.758   13.364   13.292   13.587   3.2630   9.5963   3.6799 3.990640 4.918222 
1 1 1   27   18    9 o   16.735   2.3359   41.479   10.213   55.851   13.290   20.747   15.961   19.218   2.6446   11.112   4.0794 8.106558 4.861677 
1 1 1   27   18   10 o   8.1854   3.0834   9.1204   9.2290   11.728   11.101   3.2862   16.606   9.0026   3.3836   8.4719   3.7367 0.5307102 5.041021 
1 1 1   27   18   11 o   7.6657   3.0354   6.8916   9.2807   5.3469   11.503   9.7723   15.708   7.7976   3.2668   9.1661   3.8270 -1.368516 5.031682 
1 1 1   27   18   12 o   8.5173   3.1860   10.394   9.8197   8.8129   13.022   12.479   14.951   8.6197   3.5302   9.4649   3.8171 -0.8451643 5.199334 
1 1 1   27   18   13 o   14.769   2.4841   33.185   9.5041   44.863   11.986   13.405   15.599   17.037   2.7100   9.6288   3.8934 7.408332 4.743697 
1 1 1   27   18   14 o   17.780   2.1653   46.728   10.127   67.310   13.337   18.704   15.563   21.177   2.3864   10.478   3.9904 10.69849 4.649591 
1 1 1   27   18   15 o   15.496   2.4517   36.639   9.8646   32.393   12.905   42.608   15.300   13.715   3.4936   15.588   3.7082 -1.873319 5.094671 
1 1 1   27   18   16 o   6.2443   2.8547  -3.0480   10.710  -5.4886   13.484   1.1228   17.627   6.6771   3.1056   8.1549   3.7026 -1.477793 4.832604 
1 1 1   27   18   17 o   10.221   3.5681   18.254   12.049   19.083   17.651   17.531   16.488   10.361   4.1584   10.089   4.0297 0.2715311 5.790534 
1 1 1   27   18   18 o   8.5879   3.6611   8.8809   14.871   44.060   24.163 -12.5668   18.867   13.613   5.0160   7.1245   3.4178 6.488176 6.069731 
1 1 1   27   18   19 o   13.856   3.8295   36.153   14.727   32.099   17.692   45.300   26.573   12.391   4.3238   13.256   5.1703 -0.8648176 6.739952 
1 1 1   27   18   20 o   14.072   3.5487   36.001   13.411   42.911   18.301   27.987   19.708   14.267   4.3670   11.339   4.4443 2.928039 6.230718 
1 1 1   27   18   21 o   11.655   3.6952   26.140   12.981   22.155   17.130   31.517   19.895   10.437   4.1267   11.722   4.5004 -1.285418 6.105984 
1 1 1   27   18   22 o   13.287   4.0738   36.773   15.919   11.660   23.096   59.498   21.971   9.1886   4.1974   15.962   4.7629 -6.773685 6.348539 
1 1 1   27   19  -18 o   25.484   2.7632  106.956   18.611  106.956   18.611   0.0000   0.0000   25.484   2.7632  ?   ?  0.000000 2.763176 
1 1 1   27   19  -17 o   6.0319   2.8371  -5.7502   11.786 -12.4515   15.971   2.2637   17.466   6.3896   3.0853   7.8456   3.6084 -1.455976 4.747574 
1 1 1   27   19  -16 o   15.781   3.0397   42.234   12.416   33.347   16.831   52.845   18.391   12.469   4.2221   16.093   4.2074 -3.624241 5.960526 
1 1 1   27   19  -15 o   15.214   3.1229   39.491   12.333   29.349   16.888   51.081   18.054   11.784   4.2141   15.972   4.1652 -4.187981 5.925135 
1 1 1   27   19  -14 o   16.762   2.9045   46.125   12.603   37.848   17.035   56.133   18.732   13.568   4.2232   16.923   4.1522 -3.354913 5.922539 
1 1 1   27   19  -13 o   10.957   3.8756   22.928   14.247   45.510   23.907   10.490   17.742   13.684   4.9973   9.0083   3.9206 4.675532 6.351690 
1 1 1   27   19  -12 o   15.121   3.2194   38.784   12.674   34.815   18.174   42.541   17.684   12.918   4.3872   14.592   4.2519 -1.674021 6.109492 
1 1 1   27   19  -11 o   6.3810   3.0148  -8.2480   13.583   8.9800   24.103 -16.2659   16.443   9.5035   4.3205   6.4070   3.1026 3.096516 5.319123 
1 1 1   27   19  -10 o   11.672   3.6417   24.600   12.658   26.714   17.337   22.186   18.523   11.642   4.2550   10.834   4.2887 0.8083334 6.041387 
1 1 1   27   19   -9 o   9.7717   3.8774   15.685   15.172   23.163   17.554  -6.4030   30.168   11.061   4.2319   9.1059   4.3560 1.955420 6.073219 
1 1 1   27   19   -8 o   15.994   3.4209   43.507   14.251   60.807   17.248   6.2960   25.297   18.860   3.5348   9.5377   4.3703 9.322518 5.620907 
1 1 1   27   19   -7 f   6.6263   2.8682   1.9102   9.3921   6.0069   10.997  -9.1354   18.057   7.6890   3.2054   7.3357   3.4690 0.3532743 4.723200 
1 1 1   27   19   -6 o   11.408   2.9558   21.223   9.1299   28.862   11.235   6.3687   15.667   13.156   3.2082   8.5098   3.6939 4.646333 4.892575 
1 1 1   27   19   -5 o   10.058   3.1265   16.663   9.3395   26.659   11.231  -5.7399   16.814   12.584   3.2869   7.4128   3.4545 5.171563 4.768412 
1 1 1   27   19   -4 o   14.985   2.5949   34.680   10.066   42.091   13.958   26.651   14.529   15.857   3.3806   12.110   3.9167 3.747258 5.173851 
1 1 1   27   19   -3 o   10.996   2.8870   19.491   8.6355   27.534   11.014   6.6560   13.913   12.891   3.1967   8.3312   3.5462 4.559659 4.774361 
1 1 1   27   19   -2 o   12.816   2.9125   26.347   9.7979   28.951   11.838   20.683   17.459   13.114   3.3489   10.853   4.2026 2.261248 5.373720 
1 1 1   27   19   -1 o   8.7297   3.1851   11.543   9.7086   17.437   13.134   4.4440   14.415   10.203   3.7074   8.1119   3.5322 2.090831 5.120656 
1 1 1   27   19    0 o   5.8598   2.6368  -1.8212   8.7067   6.9476   11.404 -14.0759   13.481   7.9838   3.2906   5.9610   2.8673 2.022760 4.364578 
1 1 1   27   19    1 o   7.5093   2.9399   7.0053   8.6169   12.613   11.152  -1.3040   13.575   9.0840   3.3958   7.2212   3.2668 1.862822 4.712030 
1 1 1   27   19    2 o   7.2743   3.0949   3.8185   10.588  -0.8234   16.387   7.1457   13.873   7.8366   3.5626   8.4057   3.5580 -0.5691395 5.035009 
1 1 1   27   19    3 o   5.3269   2.4823  -5.5943   8.6789   6.5350   11.096 -24.7073   13.929   7.8458   3.2410   5.3577   2.6474 2.488183 4.184853 
1 1 1   27   19    4 o   16.833   2.5657   43.478   11.233   48.579   12.570   23.248   25.032   17.661   2.7386   11.299   4.7808 6.361723 5.509646 
1 1 1   27   19    5 o   5.2215   2.4533  -6.6676   8.7723  -2.7345   11.178 -12.9742   14.154   6.4418   2.9339   6.2029   2.9716 0.2389073 4.175894 
1 1 1   27   19    6 o   5.2541   2.4794  -7.4318   9.1356  -6.3491   11.094  -9.7127   16.102   5.9864   2.7952   6.9101   3.2702 -0.9236560 4.302040 
1 1 1   27   19    7 f   6.8015   2.9254   2.5659   9.6464   7.9311   13.117  -3.7525   14.235   8.3511   3.4928   7.0412   3.2455 1.309852 4.767910 
1 1 1   27   19    8 o   17.110   2.2118   43.772   9.9266   48.473   12.467   35.628   16.409   17.578   2.7290   13.671   4.1245 3.906860 4.945601 
1 1 1   27   19    9 o   14.173   2.5795   31.350   9.4573   43.291   12.369   14.542   14.674   16.410   2.9128   9.5510   3.8058 6.859313 4.792557 
1 1 1   27   19   10 o   12.845   2.7875   26.555   9.3405   31.634   12.379   19.841   14.233   13.500   3.4123   10.488   3.8519 3.012230 5.146023 
1 1 1   27   19   11 o   11.521   2.9871   22.110   9.3204   24.000   12.419   19.673   14.103   11.513   3.6096   10.410   3.8327 1.102900 5.264882 
1 1 1   27   19   12 o   7.7650   3.0961   8.0239   9.7177   14.962   13.708   1.0143   13.779   9.4553   3.7063   7.3678   3.3160 2.087461 4.973186 
1 1 1   27   19   13 o   8.6130   3.4081   11.333   11.692   12.401   17.306   10.436   15.859   9.2160   3.9397   8.8347   3.7740 0.3812990 5.455656 
1 1 1   27   19   14 o   12.425   3.4582   27.906   11.965   26.077   14.364   32.050   21.623   11.547   3.9003   11.830   4.6494 -0.2826529 6.068769 
1 1 1   27   19   15 o   8.6459   3.5212   11.532   12.865   20.658   16.709  -1.7501   20.159   10.266   4.0704   7.9657   3.7350 2.299848 5.524330 
1 1 1   27   19   16 o   9.6027   3.8358   17.030   14.941   14.730   24.897   18.325   18.678   9.6324   4.3837   9.8288   4.1426 -0.1964836 6.031457 
1 1 1   27   19   17 o   25.314   2.5461  102.008   17.076   80.884   20.453  150.600   31.021   20.675   3.8242   27.048   4.4229 -6.373705 5.846934 
1 1 1   27   19   18 o   11.611   3.6636   26.622   12.772   26.032   16.576   27.484   20.039   10.890   4.1251   10.809   4.3975 0.8115864E-01 6.029479 
1 1 1   27   20  -14 f   6.2167   2.9057  -3.4414   12.036   4.0665   16.016 -13.1825   18.243   7.6414   3.4925   6.6029   3.2137 1.038442 4.746095 
1 1 1   27   20  -13 f   13.286   3.5755   34.247   13.041   53.430   18.907   16.840   18.010   15.466   4.3624   9.2979   3.9981 6.167690 5.917356 
1 1 1   27   20  -12 o   4.6517   2.3230 -24.3702   11.900 -16.7304   16.682 -32.2870   16.982   6.1843   3.0236   5.4566   2.7324 0.7276721 4.075320 
1 1 1   27   20  -11 o   5.8252   2.8258 -13.4222   13.795  -8.4410   23.384 -16.0811   17.085   7.7087   3.7249   6.3265   3.0859 1.382254 4.837175 
1 1 1   27   20  -10 o   6.4390   3.0424  -6.1824   13.837   25.860   25.461 -19.6112   16.483   10.475   4.6232   6.0240   2.9577 4.450684 5.488340 
1 1 1   27   20   -9 o   8.2497   3.4086   10.083   12.276   9.8570   17.458   10.305   17.266   8.6563   3.8240   8.6934   3.8233 -0.3703690E-01 5.407483 
1 1 1   27   20   -8 o   5.7905   2.7496  -7.8863   11.575 -20.2502   15.769   6.5576   17.044   5.8736   2.8857   8.2824   3.7109 -2.408736 4.700851 
1 1 1   27   20   -7 o   15.828   3.6076   46.074   14.996   56.067   17.853   22.130   27.634   16.997   3.9806   10.337   4.6701 6.659895 6.136362 
1 1 1   27   20   -6 o   21.048   2.8045   72.124   15.460   82.914   18.662   48.520   27.602   21.936   3.2670   13.131   5.2236 8.805226 6.161128 
1 1 1   27   20   -5 o   7.8501   3.3087   7.4206   11.916   4.0825   15.656   12.018   18.373   7.9093   3.5493   9.1092   3.9765 -1.199856 5.330093 
1 1 1   27   20   -4 o   16.356   2.4041   41.653   10.246   40.690   12.276   43.866   18.604   15.543   3.0495   14.334   4.4056 1.208659 5.358099 
1 1 1   27   20   -3 o   5.2108   2.4470  -5.7941   8.7087  -6.3811   11.102  -4.8550   14.042   5.8582   2.7548   6.7096   3.1368 -0.8513341 4.174777 
1 1 1   27   20   -2 o   7.7513   2.9636   8.8600   8.6053   1.4786   11.309   19.011   13.262   6.8649   3.0530   10.123   3.7182 -3.257634 4.810985 
1 1 1   27   20   -1 o   6.1771   2.6939   1.4723   8.4135  -6.5777   11.002   12.811   13.057   5.8169   2.7376   8.9275   3.5788 -3.110556 4.505814 
1 1 1   27   20    0 o   6.6386   2.8619   2.8850   9.2747   19.043   13.118 -13.2670   13.115   10.145   3.7022   5.7783   2.7915 4.366610 4.636681 
1 1 1   27   20    1 o   10.134   3.1853   17.918   9.6639   5.9305   13.675   29.878   13.659   7.9034   3.4409   12.528   3.7594 -4.624379 5.096296 
1 1 1   27   20    2 o   20.134   1.7673   59.018   9.4606   73.863   12.779   41.012   14.073   22.108   2.1805   15.088   3.5346 7.019464 4.153080 
1 1 1   27   20    3 o   11.759   3.2874   24.526   10.787   33.020   14.363   13.538   16.336   13.088   3.8373   9.2166   3.8788 3.871012 5.456159 
1 1 1   27   20    4 o   13.980   2.5777   31.186   9.3225   42.511   12.713   18.010   13.712   15.843   3.0984   9.8812   3.7498 5.962167 4.864277 
1 1 1   27   20    5 o   18.155   2.3457   50.961   11.171   48.232   15.013   54.346   16.720   16.390   3.5158   17.139   3.7373 -0.7495518 5.131143 
1 1 1   27   20    6 o   12.064   2.8855   24.456   9.2239   24.382   12.194   24.554   14.102   11.389   3.5778   11.145   3.8618 0.2443781 5.264452 
1 1 1   27   20    7 o   7.4177   3.0858   6.5585   10.161   16.385   12.283 -14.7386   18.083   9.5115   3.5623   6.6824   3.2402 2.829066 4.815459 
1 1 1   27   20    8 o   7.4760   3.0014   7.6343   9.1986   7.7517   12.431   7.4921   13.676   7.9090   3.3589   8.0201   3.4662 -0.1110797 4.826701 
1 1 1   27   20    9 o   7.0224   2.9717   5.0445   9.6739   12.218   13.483  -2.5653   13.888   8.6968   3.5805   6.8170   3.1643 1.879791 4.778402 
1 1 1   27   20   10 o   16.727   2.5110   44.698   10.933   47.969   14.706   40.657   16.347   16.198   3.4836   13.965   4.0935 2.233759 5.375179 
1 1 1   27   20   11 o   11.795   3.6863   27.547   12.964   14.280   21.857   34.748   16.102   9.2634   4.1721   12.675   4.1250 -3.412070 5.867063 
1 1 1   27   20   12 o   10.886   3.9665   25.400   15.050   19.571   17.223   44.220   30.948   9.7432   4.0324   11.637   5.1183 -1.894066 6.515939 
1 1 1   27   20   13 f   8.9150   3.5629   14.625   12.898   27.229   17.040  -2.2822   19.736   10.884   4.1683   7.5849   3.5985 3.299381 5.506683 
1 1 1   27   20   14 f   9.2411   3.6425   16.763   13.307   1.9899   17.191   38.849   21.020   7.5773   3.5184   12.029   4.6241 -4.451959 5.810494 
1 1 1   27   21   -6 o   11.177   3.9414   28.200   14.724   32.371   17.494   18.070   27.265   11.419   4.2562   9.2598   4.3424 2.158805 6.080434 
1 1 1   27   21   -5 o   8.9060   3.6472   15.419   13.897   21.856   16.277  -1.8960   26.695   9.8549   3.9798   8.0908   3.9263 1.764035 5.590576 
1 1 1   27   21   -4 o   15.614   3.3232   45.189   13.509   76.936   18.431   8.3391   19.858   20.143   3.5357   8.3221   3.8349 11.82083 5.216105 
1 1 1   27   21   -3 o   20.713   2.5327   70.053   13.796   66.700   18.959   73.828   20.115   17.918   4.0362   18.780   4.1025 -0.8618698 5.755126 
1 1 1   27   21   -2 o   9.9060   3.6274   20.081   12.608   8.4848   17.195   33.566   18.543   8.1806   3.6910   11.562   4.3671 -3.381618 5.717919 
1 1 1   27   21   -1 o   10.292   3.6853   22.019   12.920   17.403   17.629   27.376   18.990   9.2497   3.9658   10.546   4.2847 -1.296696 5.838360 
1 1 1   27   21    0 o   8.2791   3.3210   11.812   11.251   17.656   14.141   1.7321   18.572   9.3417   3.7317   7.6840   3.5972 1.657733 5.183191 
1 1 1   27   21    1 o   6.9609   3.1091   3.2672   11.864   11.136   15.700  -7.2072   18.114   8.3951   3.6700   6.9475   3.3371 1.447588 4.960403 
1 1 1   27   21    2 o   9.2249   3.2100   15.899   9.7481   34.945   13.723  -3.5002   13.850   13.090   3.7251   6.5487   3.0787 6.540801 4.832658 
1 1 1   27   21    3 o   5.2199   2.5213 -10.2897   10.685 -22.3272   17.604  -3.2682   13.445   5.9627   2.9518   6.4900   3.0454 -0.5272298 4.241161 
1 1 1   27   21    4 o   17.038   2.3878   46.678   10.627   93.043   15.824   8.5816   14.343   23.921   2.4998   7.9381   3.4881 15.98279 4.291311 
1 1 1   27   21    5 o   6.4980   2.8508   3.0976   9.5484   12.728   12.525 -10.2640   14.754   8.4370   3.4596   6.1359   2.9635 2.301046 4.555335 
1 1 1   27   21    6 o   7.4497   3.1170   7.9807   10.452   11.527   14.165   3.7424   15.487   8.2867   3.5540   7.4542   3.4171 0.8324680 4.930216 
1 1 1   28    0  -42 o   17.768   4.5052   52.585   18.590   52.585   18.590   52.585   18.590   17.768   4.5052   17.768   4.5052 0.000000 0.000000 
1 1 1   28    0  -41 o   9.8686   5.0808   21.208   17.211   21.208   17.211   21.208   17.211   9.8686   5.0808   9.8686   5.0808 0.000000 0.000000 
1 1 1   28    0  -40 o   4.5474   3.1972 -15.6515   15.145 -15.6515   15.145 -15.6515   15.145   4.5474   3.1972   4.5474   3.1972 0.000000 0.000000 
1 1 1   28    0  -39 o   10.021   4.3646   20.165   12.186   20.165   12.186   20.165   12.186   10.021   4.3646   10.021   4.3646 0.000000 0.000000 
1 1 1   28    0  -38 o   27.800   1.9545  106.438   14.428  106.438   14.428  106.438   14.428   27.800   1.9545   27.800   1.9545 0.000000 0.000000 
1 1 1   28    0  -37 o   4.9850   3.2982  -2.2319   11.535  -2.2319   11.535  -2.2319   11.535   4.9850   3.2982   4.9850   3.2982 0.000000 0.000000 
1 1 1   28    0  -36 o   9.6686   4.3935   18.989   12.345   18.989   12.345   18.989   12.345   9.6686   4.3935   9.6686   4.3935 0.000000 0.000000 
1 1 1   28    0  -35 o   23.200   3.4665   78.946   20.180   78.946   20.180   78.946   20.180   23.200   3.4665   23.200   3.4665 0.000000 0.000000 
1 1 1   28    0  -34 o   6.3953   3.8236   6.2897   11.666   6.2897   11.666   6.2897   11.666   6.3953   3.8236   6.3953   3.8236 0.000000 0.000000 
1 1 1   28    0  -33 o   23.111   2.2104   74.483   13.432   74.483   13.432   74.483   13.432   23.111   2.2104   23.111   2.2104 0.000000 0.000000 
1 1 1   28    0  -32 o   27.788   1.9021  105.973   14.044  105.973   14.044  105.973   14.044   27.788   1.9021   27.788   1.9021 0.000000 0.000000 
1 1 1   28    0  -31 o   15.619   4.8814   42.330   17.962   42.330   17.962   42.330   17.962   15.619   4.8814   15.619   4.8814 0.000000 0.000000 
1 1 1   28    0  -30 o   6.5040   3.8423   6.7810   11.527   6.7810   11.527   6.7810   11.527   6.5040   3.8423   6.5040   3.8423 0.000000 0.000000 
1 1 1   28    0  -29 o   31.173   1.7143  132.360   14.254  132.360   14.254  132.360   14.254   31.173   1.7143   31.173   1.7143 0.000000 0.000000 
1 1 1   28    0  -28 o   28.589   1.7835  111.611   13.573  111.611   13.573  111.611   13.573   28.589   1.7835   28.589   1.7835 0.000000 0.000000 
1 1 1   28    0  -27 o   7.5898   4.0280   11.471   11.061   11.471   11.061   11.471   11.061   7.5898   4.0280   7.5898   4.0280 0.000000 0.000000 
1 1 1   28    0  -26 f   6.8263   3.8281   8.6638   10.577   8.6638   10.577   8.6638   10.577   6.8263   3.8281   6.8263   3.8281 0.000000 0.000000 
1 1 1   28    0  -25 o   11.839   4.0199   24.694   11.453   24.694   11.453   24.694   11.453   11.839   4.0199   11.839   4.0199 0.000000 0.000000 
1 1 1   28    0  -24 o   49.710   1.4018  333.513   18.683  333.513   18.683  333.513   18.683   49.710   1.4018   49.710   1.4018 0.000000 0.000000 
1 1 1   28    0  -23 o   63.764   2.0061  550.457   34.281  550.457   34.281  550.457   34.281   63.764   2.0061   63.764   2.0061 0.000000 0.000000 
1 1 1   28    0  -22 o   7.8242   4.1863   12.060   12.037   12.060   12.037   12.060   12.037   7.8242   4.1863   7.8242   4.1863 0.000000 0.000000 
1 1 1   28    0  -21 o   17.425   2.5613   43.611   11.228   43.611   11.228   43.611   11.228   17.425   2.5613   17.425   2.5613 0.000000 0.000000 
1 1 1   28    0  -20 o   7.9976   3.9350   12.843   10.087   12.843   10.087   12.843   10.087   7.9976   3.9350   7.9976   3.9350 0.000000 0.000000 
1 1 1   28    0  -19 o   60.634   1.3810  495.499   22.465  495.499   22.465  495.499   22.465   60.634   1.3810   60.634   1.3810 0.000000 0.000000 
1 1 1   28    0  -18 o   49.738   1.4269  333.728   19.027  333.728   19.027  333.728   19.027   49.738   1.4269   49.738   1.4269 0.000000 0.000000 
1 1 1   28    0  -17 o   43.663   1.9396  258.447   22.645  258.447   22.645  258.447   22.645   43.663   1.9396   43.663   1.9396 0.000000 0.000000 
1 1 1   28    0  -16 o   21.608   2.0327   64.577   11.558   64.577   11.558   64.577   11.558   21.608   2.0327   21.608   2.0327 0.000000 0.000000 
1 1 1   28    0  -15 o   18.293   2.2644   47.144   10.668   47.144   10.668   47.144   10.668   18.293   2.2644   18.293   2.2644 0.000000 0.000000 
1 1 1   28    0  -14 o   24.544   1.7420   82.309   11.351   82.309   11.351   82.309   11.351   24.544   1.7420   24.544   1.7420 0.000000 0.000000 
1 1 1   28    0  -13 o   3.6802   2.5688  -9.0012   9.2728  -9.0012   9.2728  -9.0012   9.2728   3.6802   2.5688   3.6802   2.5688 0.000000 0.000000 
1 1 1   28    0  -12 o   25.521   1.2623   88.212   8.6048   88.212   8.6048   88.212   8.6048   25.521   1.2623   25.521   1.2623 0.000000 0.000000 
1 1 1   28    0  -11 o   5.6909   2.8128   6.4297   5.1635   6.4297   5.1635   6.4297   5.1635   5.6909   2.8128   5.6909   2.8128 0.000000 0.000000 
1 1 1   28    0  -10 o   26.687   1.1665   96.274   8.3245   96.274   8.3245   96.274   8.3245   26.687   1.1665   26.687   1.1665 0.000000 0.000000 
1 1 1   28    0   -9 o   15.458   2.0932   33.889   8.2415   33.889   8.2415   33.889   8.2415   15.458   2.0932   15.458   2.0932 0.000000 0.000000 
1 1 1   28    0   -8 f   85.587   1.5135  986.029   34.768  986.029   34.768  986.029   34.768   85.587   1.5135   85.587   1.5135 0.000000 0.000000 
1 1 1   28    0   -7 o   87.677   1.3378  1034.19   31.488  1034.19   31.488  1034.19   31.488   87.677   1.3378   87.677   1.3378 0.000000 0.000000 
1 1 1   28    0   -6 o   7.5043   3.4143   11.042   7.4565   11.042   7.4565   11.042   7.4565   7.5043   3.4143   7.5043   3.4143 0.000000 0.000000 
1 1 1   28    0   -5 f   61.983   1.0665  516.742   17.743  516.742   17.743  516.742   17.743   61.983   1.0665   61.983   1.0665 0.000000 0.000000 
1 1 1   28    0   -4 o   8.3690   3.2849   12.971   7.0757   12.971   7.0757   12.971   7.0757   8.3690   3.2849   8.3690   3.2849 0.000000 0.000000 
1 1 1   28    0   -3 o   92.013   1.3713  1138.95   33.874  1138.95   33.874  1138.95   33.874   92.013   1.3713   92.013   1.3713 0.000000 0.000000 
1 1 1   28    0   -2 o   66.661   1.1872  597.791   21.242  597.791   21.242  597.791   21.242   66.661   1.1872   66.661   1.1872 0.000000 0.000000 
1 1 1   28    0   -1 o   40.965   1.3138  226.274   14.422  226.274   14.422  226.274   14.422   40.965   1.3138   40.965   1.3138 0.000000 0.000000 
1 1 1   28    0    0 o   24.154   1.7180   79.654   11.016   79.654   11.016   79.654   11.016   24.154   1.7180   24.154   1.7180 0.000000 0.000000 
1 1 1   28    0    1 o   40.346   1.3893  219.606   15.015  219.606   15.015  219.606   15.015   40.346   1.3893   40.346   1.3893 0.000000 0.000000 
1 1 1   28    0    2 o   10.242   3.4238   18.187   8.3992   18.187   8.3992   18.187   8.3992   10.242   3.4238   10.242   3.4238 0.000000 0.000000 
1 1 1   28    0    3 o   52.462   1.1704  370.451   16.473  370.451   16.473  370.451   16.473   52.462   1.1704   52.462   1.1704 0.000000 0.000000 
1 1 1   28    0    4 o  119.137   1.4901  1909.40   47.665  1909.40   47.665  1909.40   47.665  119.137   1.4901  119.137   1.4901 0.000000 0.000000 
1 1 1   28    0    5 f   37.145   1.3209  186.182   13.141  186.182   13.141  186.182   13.141   37.145   1.3209   37.145   1.3209 0.000000 0.000000 
1 1 1   28    0    6 o  108.329   1.3982  1578.57   40.667  1578.57   40.667  1578.57   40.667  108.329   1.3982  108.329   1.3982 0.000000 0.000000 
1 1 1   28    0    7 o   46.276   1.1925  288.409   14.800  288.409   14.800  288.409   14.800   46.276   1.1925   46.276   1.1925 0.000000 0.000000 
1 1 1   28    0    8 f   85.101   1.2151  974.065   27.761  974.065   27.761  974.065   27.761   85.101   1.2151   85.101   1.2151 0.000000 0.000000 
1 1 1   28    0    9 o   33.622   1.1707  152.497   10.543  152.497   10.543  152.497   10.543   33.622   1.1707   33.622   1.1707 0.000000 0.000000 
1 1 1   28    0   10 o   35.217   1.1601  167.251   10.946  167.251   10.946  167.251   10.946   35.217   1.1601   35.217   1.1601 0.000000 0.000000 
1 1 1   28    0   11 o   43.836   1.0953  258.752   12.878  258.752   12.878  258.752   12.878   43.836   1.0953   43.836   1.0953 0.000000 0.000000 
1 1 1   28    0   12 o   32.124   1.2182  139.331   10.477  139.331   10.477  139.331   10.477   32.124   1.2182   32.124   1.2182 0.000000 0.000000 
1 1 1   28    0   13 o   24.378   1.6107   81.006   10.441   81.006   10.441   81.006   10.441   24.378   1.6107   24.378   1.6107 0.000000 0.000000 
1 1 1   28    0   14 o   81.016   1.1987  883.059   26.072  883.059   26.072  883.059   26.072   81.016   1.1987   81.016   1.1987 0.000000 0.000000 
1 1 1   28    0   15 o   31.395   1.2445  133.159   10.457  133.159   10.457  133.159   10.457   31.395   1.2445   31.395   1.2445 0.000000 0.000000 
1 1 1   28    0   16 o   3.3920   2.3649  -7.4033   7.7973  -7.4033   7.7973  -7.4033   7.7973   3.3920   2.3649   3.3920   2.3649 0.000000 0.000000 
1 1 1   28    0   17 o  100.516   1.3501  1359.93   36.435  1359.93   36.435  1359.93   36.435  100.516   1.3501  100.516   1.3501 0.000000 0.000000 
1 1 1   28    0   18 o   17.578   2.0600   43.342   9.3765   43.342   9.3765   43.342   9.3765   17.578   2.0600   17.578   2.0600 0.000000 0.000000 
1 1 1   28    0   19 o   39.565   1.1759  211.085   12.471  211.085   12.471  211.085   12.471   39.565   1.1759   39.565   1.1759 0.000000 0.000000 
1 1 1   28    0   20 o   40.664   1.1678  222.952   12.730  222.952   12.730  222.952   12.730   40.664   1.1678   40.664   1.1678 0.000000 0.000000 
1 1 1   28    0   21 o   9.6201   3.7740   17.257   9.3417   17.257   9.3417   17.257   9.3417   9.6201   3.7740   9.6201   3.7740 0.000000 0.000000 
1 1 1   28    0   22 o   22.744   1.7452   70.944   10.517   70.944   10.517   70.944   10.517   22.744   1.7452   22.744   1.7452 0.000000 0.000000 
1 1 1   28    0   23 o   6.1478   3.5734   6.3141   9.6998   6.3141   9.6998   6.3141   9.6998   6.1478   3.5734   6.1478   3.5734 0.000000 0.000000 
1 1 1   28    0   24 o   69.289   1.2943  646.862   24.068  646.862   24.068  646.862   24.068   69.289   1.2943   69.289   1.2943 0.000000 0.000000 
1 1 1   28    0   25 o   75.216   1.2086  761.916   24.403  761.916   24.403  761.916   24.403   75.216   1.2086   75.216   1.2086 0.000000 0.000000 
1 1 1   28    0   26 f   6.6150   3.5992   8.4655   9.0374   8.4655   9.0374   8.4655   9.0374   6.6150   3.5992   6.6150   3.5992 0.000000 0.000000 
1 1 1   28    0   27 o   27.242   1.7029  101.271   12.348  101.271   12.348  101.271   12.348   27.242   1.7029   27.242   1.7029 0.000000 0.000000 
1 1 1   28    0   28 o   14.420   3.4732   32.756   11.664   32.756   11.664   32.756   11.664   14.420   3.4732   14.420   3.4732 0.000000 0.000000 
1 1 1   28    0   29 o   22.863   1.9291   72.141   11.653   72.141   11.653   72.141   11.653   22.863   1.9291   22.863   1.9291 0.000000 0.000000 
1 1 1   28    0   30 o   17.101   2.2381   41.593   9.7926   41.593   9.7926   41.593   9.7926   17.101   2.2381   17.101   2.2381 0.000000 0.000000 
1 1 1   28    0   31 o   42.559   1.2361  244.632   14.103  244.632   14.103  244.632   14.103   42.559   1.2361   42.559   1.2361 0.000000 0.000000 
1 1 1   28    0   32 o   6.7248   3.7973   8.4412   10.505   8.4412   10.505   8.4412   10.505   6.7248   3.7973   6.7248   3.7973 0.000000 0.000000 
1 1 1   28    0   33 o   9.5704   3.8196   17.415   9.5079   17.415   9.5079   17.415   9.5079   9.5704   3.8196   9.5704   3.8196 0.000000 0.000000 
1 1 1   28    0   34 o   28.236   1.6875  108.965   12.693  108.965   12.693  108.965   12.693   28.236   1.6875   28.236   1.6875 0.000000 0.000000 
1 1 1   28    0   35 o   47.227   1.2181  301.291   15.429  301.291   15.429  301.291   15.429   47.227   1.2181   47.227   1.2181 0.000000 0.000000 
1 1 1   28    0   36 o   13.518   3.2051   28.814   10.102   28.814   10.102   28.814   10.102   13.518   3.2051   13.518   3.2051 0.000000 0.000000 
1 1 1   28    0   37 o   4.5984   3.0392  -1.8714   9.7523  -1.8714   9.7523  -1.8714   9.7523   4.5984   3.0392   4.5984   3.0392 0.000000 0.000000 
1 1 1   28    0   38 o   5.8757   3.5071   5.3481   9.7811   5.3481   9.7811   5.3481   9.7811   5.8757   3.5071   5.8757   3.5071 0.000000 0.000000 
1 1 1   28    0   39 o   59.333   1.2471  475.681   19.855  475.681   19.855  475.681   19.855   59.333   1.2471   59.333   1.2471 0.000000 0.000000 
1 1 1   28    0   40 o   18.931   2.4479   51.389   11.874   51.389   11.874   51.389   11.874   18.931   2.4479   18.931   2.4479 0.000000 0.000000 
1 1 1   28    0   41 o   4.3505   2.9909  -7.3595   11.413  -7.3595   11.413  -7.3595   11.413   4.3505   2.9909   4.3505   2.9909 0.000000 0.000000 
1 1 1   28    0   42 o   17.263   3.1926   45.345   13.313   45.345   13.313   45.345   13.313   17.263   3.1926   17.263   3.1926 0.000000 0.000000 
1 1 1   28    0   43 o   4.4787   3.0566  -5.8360   11.440  -5.8360   11.440  -5.8360   11.440   4.4787   3.0566   4.4787   3.0566 0.000000 0.000000 
1 1 1   28    0   44 o   51.670   1.9727  368.357   27.287  368.357   27.287  368.357   27.287   51.670   1.9727   51.670   1.9727 0.000000 0.000000 
1 1 1   28    0   45 o   5.0126   3.4242  -6.4654   14.432  -6.4654   14.432  -6.4654   14.432   5.0126   3.4242   5.0126   3.4242 0.000000 0.000000 
1 1 1   28    0   46 o   29.492   1.9715  121.903   15.457  121.903   15.457  121.903   15.457   29.492   1.9715   29.492   1.9715 0.000000 0.000000 
1 1 1   28    0   47 o   34.474   1.7758  165.425   16.344  165.425   16.344  165.425   16.344   34.474   1.7758   34.474   1.7758 0.000000 0.000000 
1 1 1   28    1  -41 o   21.203   2.4446   63.679   13.667   55.460   19.132   72.244   19.530   19.058   3.8697   22.102   3.3988 -3.043766 5.150392 
1 1 1   28    1  -40 f   19.635   2.6409   54.914   13.574   38.835   19.091   71.355   19.304   15.787   4.3589   22.067   3.3634 -6.279909 5.505721 
1 1 1   28    1  -39 o   20.649   2.0471   59.195   11.204   57.358   14.330   62.083   17.970   20.074   2.7284   20.615   3.3613 -0.5408440 4.329249 
1 1 1   28    1  -38 o   41.503   1.1395  232.967   12.702  217.646   17.833  248.744   18.097   39.957   1.6617   42.748   1.5762 -2.791115 2.290332 
1 1 1   28    1  -37 o   29.444   1.3310  117.501   10.526  133.920   14.920  101.232   14.852   31.272   1.7837   27.085   2.0569 4.186445 2.722636 
1 1 1   28    1  -36 o   17.776   1.9469   43.735   9.1431   56.413   13.016   31.386   12.846   20.051   2.4691   14.611   3.3455 5.439581 4.157956 
1 1 1   28    1  -35 o   21.321   1.6699   62.271   9.4865   72.621   13.416   51.920   13.416   22.875   2.2111   19.153   2.6815 3.721802 3.475592 
1 1 1   28    1  -34 o   20.004   2.4790   56.139   13.034   58.222   18.063   53.875   18.827   19.983   3.4925   19.071   3.8088 0.9115391 5.167651 
1 1 1   28    1  -33 o   18.198   1.8955   45.713   9.1287   44.977   12.793   46.477   13.030   17.785   2.7682   18.083   2.7711 -0.2983665 3.916823 
1 1 1   28    1  -32 o   28.868   1.3206  112.840   10.239   99.251   14.244  127.370   14.729   26.866   1.9881   30.511   1.8053 -3.645201 2.685477 
1 1 1   28    1  -31 o   10.512   2.8902   15.893   8.4139   17.781   12.157   14.157   11.657   11.226   3.5778   10.293   3.5134 0.9326410 5.014448 
1 1 1   28    1  -30 o   29.768   1.7678  121.007   14.071  107.466   19.629  135.323   20.182   27.752   2.6661   31.265   2.4222 -3.513510 3.602138 
1 1 1   28    1  -29 o   23.179   1.4618   73.056   9.0541   77.878   12.727   68.115   12.884   23.808   2.0090   22.207   2.1885 1.601082 2.970814 
1 1 1   28    1  -28 o   34.797   1.1529  163.432   10.776  169.225   15.221  157.611   15.257   35.326   1.6042   34.079   1.6668 1.246925 2.313404 
1 1 1   28    1  -27 o   35.264   1.1270  167.766   10.674  180.240   15.245  155.771   14.950   36.477   1.5561   33.894   1.6422 2.582909 2.262353 
1 1 1   28    1  -26 f   24.047   1.3766   78.413   8.8544   71.317   12.602   85.332   12.443   22.786   2.0822   24.991   1.8673 -2.205921 2.796804 
1 1 1   28    1  -25 o   15.062   2.0648   31.440   8.1332   26.027   11.344   37.167   11.667   13.441   3.1901   16.221   2.7778 -2.780507 4.229964 
1 1 1   28    1  -24 o   75.269   1.0396  763.429   21.017  765.119   29.802  761.757   29.643   75.224   1.4750   75.060   1.4703 0.1638184 2.082677 
1 1 1   28    1  -23 o   10.625   2.6575   16.081   7.5645   20.993   10.779   11.314   10.618   12.102   3.2483   9.5329   3.3484 2.568712 4.665068 
1 1 1   28    1  -22 f   17.612   2.0046   42.672   9.3137   35.532   15.403   46.788   11.694   15.652   3.7189   18.355   2.4318 -2.702817 4.443388 
1 1 1   28    1  -21 o   57.949   1.4305  453.609   22.265  436.077   30.874  472.606   32.138   56.651   2.0291   58.976   2.0288 -2.325119 2.869357 
1 1 1   28    1  -20 o   57.464   0.9825  444.642   15.163  450.708   21.566  438.711   21.325   57.777   1.3897   57.002   1.3928 0.7748375 1.967546 
1 1 1   28    1  -19 o   37.170   1.0413  186.083   10.396  191.223   14.771  181.038   14.635   37.627   1.4615   36.607   1.4884 1.019619 2.086027 
1 1 1   28    1  -18 o   11.114   2.5541   17.525   7.4645   1.4480   10.744   32.527   10.378   7.5088   3.1521   15.221   2.6340 -7.711847 4.107763 
1 1 1   28    1  -17 o   29.347   1.1705  116.053   9.2263  106.681   12.742  126.381   13.377   28.034   1.7003   30.532   1.6371 -2.498566 2.360342 
1 1 1   28    1  -16 o   23.556   1.7701   75.488   11.118   87.097   15.439   62.985   16.022   25.206   2.3060   21.266   2.8791 3.939938 3.688720 
1 1 1   28    1  -15 o   4.7035   2.2562 -11.7185   8.2186  -1.9298   13.580 -17.3764   10.324   7.8745   3.4286   5.0313   2.4416 2.843271 4.209094 
1 1 1   28    1  -14 o   31.997   1.0858  137.844   9.3314  142.989   13.447  133.066   12.960   32.546   1.5382   31.397   1.5368 1.149439 2.174402 
1 1 1   28    1  -13 o   22.845   1.3466   70.594   8.2261   73.403   11.715   67.862   11.554   23.216   1.8952   22.308   1.9479 0.9083004 2.717710 
1 1 1   28    1  -12 o   62.795   1.0377  530.706   17.502  522.626   22.910  542.030   27.123   62.265   1.3699   63.369   1.5936 -1.103298 2.101466 
1 1 1   28    1  -11 f   37.039   0.7799  184.453   7.7586  190.089   11.087  179.044   10.861   37.579   1.0984   36.470   1.1088 1.108959 1.560774 
1 1 1   28    1  -10 o   65.364   0.7577  574.378   13.303  578.697   18.930  570.163   18.698   65.574   1.0748   65.089   1.0696 0.4846649 1.516298 
1 1 1   28    1   -9 o   53.020   0.7546  377.911   10.747  375.791   14.847  380.244   15.575   52.846   1.0460   53.154   1.0910 -0.3076439 1.511370 
1 1 1   28    1   -8 o   22.848   1.0079   70.234   6.1854   60.923   8.6539   79.958   8.8440   21.201   1.5300   24.324   1.3591 -3.122374 2.046491 
1 1 1   28    1   -7 o   45.086   0.8453  273.324   10.237  266.972   14.395  279.823   14.560   44.532   1.2035   45.592   1.1890 -1.060547 1.691782 
1 1 1   28    1   -6 o   4.7658   2.1094  -1.7776   5.3367   0.9778   7.3051  -4.9313   7.8153   6.2356   2.6071   5.3838   2.4525 0.8517284 3.579376 
1 1 1   28    1   -5 o   19.428   1.1210   50.959   5.8244   50.943   8.5117   50.974   7.9872   19.364   1.6524   19.384   1.5470 -0.1977158E-01 2.263552 
1 1 1   28    1   -4 o   33.673   0.8042  152.428   7.2730  144.789   10.209  160.302   10.364   32.800   1.1588   34.515   1.1180 -1.714989 1.610189 
1 1 1   28    1   -3 o   66.400   0.7699  592.654   13.732  579.436   19.312  606.169   19.528   65.624   1.0957   67.122   1.0832 -1.498177 1.540716 
1 1 1   28    1   -2 o   34.722   0.7894  162.064   7.3623  169.852   10.560  154.697   10.270   35.529   1.1066   33.906   1.1277 1.623249 1.579954 
1 1 1   28    1   -1 o   42.941   0.7833  247.867   9.0337  254.884   13.518  242.204   12.143   43.520   1.1565   42.430   1.0655 1.089672 1.572519 
1 1 1   28    1    0 o   19.877   1.3259   53.440   7.0381   61.904   10.643   46.863   9.3825   21.330   1.8768   18.531   1.9126 2.799570 2.679666 
1 1 1   28    1    1 o   48.963   0.8266  322.295   10.870  334.481   17.411  314.510   13.916   49.840   1.3006   48.350   1.0716 1.490314 1.685168 
1 1 1   28    1    2 o   24.487   1.0732   80.671   7.0582   89.043   10.330   73.341   9.6665   25.660   1.5054   23.273   1.5553 2.386730 2.164578 
1 1 1   28    1    3 o   44.306   0.8441  263.926   10.045  242.491   14.104  285.991   14.310   42.442   1.2373   46.099   1.1557 -3.656963 1.693107 
1 1 1   28    1    4 o   75.530   0.8955  767.116   18.167  754.597   25.591  779.835   25.795   74.862   1.2727   76.106   1.2619 -1.243279 1.792257 
1 1 1   28    1    5 o   55.517   0.9204  414.490   13.725  405.200   19.435  423.730   19.384   54.852   1.3192   56.096   1.2865 -1.244099 1.842659 
1 1 1   28    1    6 o   54.354   0.7954  397.169   11.612  406.697   15.784  385.930   17.144   54.979   1.0689   53.544   1.1921 1.434410 1.601137 
1 1 1   28    1    7 o   63.965   0.8604  550.166   14.783  538.914   18.800  568.390   23.926   63.282   1.1061   64.953   1.3714 -1.671383 1.761907 
1 1 1   28    1    8 o   47.911   0.8111  308.629   10.437  315.951   13.968  299.373   15.705   48.455   1.0732   47.151   1.2401 1.304150 1.640006 
1 1 1   28    1    9 o   68.419   0.8330  629.444   15.308  635.885   20.696  621.664   22.746   68.733   1.1210   67.942   1.2465 0.7910004 1.676419 
1 1 1   28    1   10 o   73.009   0.8496  716.797   16.660  734.058   22.651  696.455   24.589   73.843   1.1421   71.905   1.2732 1.937355 1.710347 
1 1 1   28    1   11 f   12.373   1.9025   21.176   6.1203   20.042   8.0851   22.697   9.3664   11.913   2.5998   12.660   2.8260 -0.7470961 3.839990 
1 1 1   28    1   12 o   11.967   2.2812   20.065   7.0646   20.437   9.0545   19.486   11.295   12.003   2.8509   11.773   3.3888 0.2301350 4.428554 
1 1 1   28    1   13 o   20.198   1.2598   55.183   6.8005   53.755   8.9511   57.133   10.459   19.876   1.6928   20.458   1.9261 -0.5815678 2.564219 
1 1 1   28    1   14 o   72.845   0.8612  713.777   16.851  726.862   22.791  698.000   25.026   73.462   1.1551   71.962   1.2948 1.500137 1.735129 
1 1 1   28    1   15 o   12.036   2.0290   20.161   6.3258   13.059   8.2995   30.006   9.7716   9.7217   2.9334   14.630   2.5811 -4.908362 3.907287 
1 1 1   28    1   16 o   40.090   0.8639  216.230   9.3022  219.382   12.457  212.255   13.986   40.354   1.1493   39.674   1.3125 0.6798439 1.744554 
1 1 1   28    1   17 o   17.372   1.4640   41.027   6.7670   43.725   9.3905   38.113   9.7602   17.849   1.9928   16.598   2.2472 1.251324 3.003501 
1 1 1   28    1   18 o   27.572   1.0013  102.354   7.4154   94.441   10.281  110.936   10.706   26.407   1.4551   28.670   1.3903 -2.262791 2.012534 
1 1 1   28    1   19 o   36.165   0.9115  176.033   8.8540  168.029   11.813  186.294   13.375   35.299   1.2460   37.156   1.3402 -1.856899 1.829912 
1 1 1   28    1   20 o   12.783   1.9812   22.689   6.5823   20.740   8.8413   25.112   9.8594   12.065   2.7848   13.283   2.8489 -1.218204 3.983927 
1 1 1   28    1   21 o   20.161   1.4266   55.172   7.6751   52.576   10.639   57.988   11.083   19.565   2.0554   20.562   2.0334 -0.9968338 2.891241 
1 1 1   28    1   22 f   24.707   1.2556   82.569   8.3046   72.697   11.458   93.493   12.053   23.076   1.8647   26.216   1.7213 -3.140421 2.537717 
1 1 1   28    1   23 o   39.418   0.9711  209.262   10.282  211.946   14.197  206.302   14.910   39.620   1.3341   39.075   1.4207 0.5450897 1.948900 
1 1 1   28    1   24 o   42.539   1.0261  243.815   11.724  244.733   17.608  243.084   15.714   42.531   1.5414   42.418   1.3792 0.1122055 2.068398 
1 1 1   28    1   25 o   40.697   0.9047  223.019   9.8887  207.008   14.566  236.707   13.468   39.138   1.3856   41.885   1.1972 -2.746624 1.831151 
1 1 1   28    1   26 f   19.912   1.2829   53.762   6.8245   58.480   9.6329   49.009   9.6698   20.688   1.7500   18.888   1.9333 1.799866 2.607709 
1 1 1   28    1   27 o   11.540   2.1221   18.721   6.3350   8.5621   8.8998   29.154   9.0195   8.4861   3.0565   14.400   2.4177 -5.913843 3.897144 
1 1 1   28    1   28 o   33.412   1.0655  150.567   9.5623  145.088   14.592  154.691   12.659   32.655   1.6693   33.815   1.3938 -1.159466 2.174672 
1 1 1   28    1   29 o   6.8353   2.6435   4.3074   6.9010   3.7890   10.598   4.6890   9.0933   7.8381   3.1945   7.5900   3.0049 0.2481041 4.385652 
1 1 1   28    1   30 o   6.6992   2.6799   3.2713   7.3050   5.7106   12.616   2.0410   8.9598   8.7181   3.5097   6.9853   2.9011 1.732798 4.553540 
1 1 1   28    1   31 o   34.005   1.1512  156.223   10.514  165.908   15.423  147.815   14.371   34.935   1.6437   32.980   1.6224 1.954723 2.309498 
1 1 1   28    1   32 o   8.9149   2.6058   11.241   6.6327   21.099   9.4595   1.7078   9.3026   12.059   2.9458   7.0194   2.9391 5.039253 4.161278 
1 1 1   28    1   33 o   20.475   1.5075   57.223   8.2324   60.959   11.718   53.582   11.568   20.981   2.1079   19.620   2.2351 1.360891 3.072303 
1 1 1   28    1   34 o   18.253   1.5100   45.548   7.3362   50.382   10.191   40.350   10.569   19.076   2.0197   16.943   2.3888 2.133289 3.128227 
1 1 1   28    1   35 o   21.560   1.2942   63.173   7.4597   65.733   10.516   60.580   10.584   21.873   1.8061   20.967   1.9000 0.9060287 2.621425 
1 1 1   28    1   36 o   9.0220   2.7703   11.424   7.3580   3.6696   10.122   20.113   10.715   7.6381   3.1185   11.739   3.2746 -4.100427 4.521916 
1 1 1   28    1   37 o   20.558   1.4859   57.696   8.1493   53.039   11.971   61.718   11.125   19.471   2.3356   21.135   1.9830 -1.663574 3.063870 
1 1 1   28    1   38 o   33.807   1.0219  154.369   9.2791  151.368   12.891  157.596   13.367   33.385   1.4377   34.058   1.4612 -0.6736832 2.049904 
1 1 1   28    1   39 o   49.190   0.9181  326.553   12.129  339.405   17.647  315.046   16.699   50.020   1.3135   48.200   1.2899 1.819710 1.840959 
1 1 1   28    1   40 f   22.450   1.3541   68.722   8.1268   80.617   11.584   57.193   11.404   24.189   1.7958   20.242   2.1295 3.946890 2.785590 
1 1 1   28    1   41 o   18.136   1.9927   45.927   9.5467   58.782   12.446   27.554   14.880   20.418   2.3101   13.408   3.8984 7.010677 4.531458 
1 1 1   28    1   42 f   8.6190   3.1294   9.4508   9.3552   23.562   12.194 -10.7348   14.585   12.431   3.5024   6.8999   3.2161 5.530759 4.755050 
1 1 1   28    1   43 o   35.630   1.2455  172.941   11.919  152.261   15.786  200.370   18.180   33.144   1.7798   38.072   1.7779 -4.927731 2.515639 
1 1 1   28    1   44 o   6.7942   2.8916   1.5123   9.2482  -3.7751   12.469   7.9768   13.788   6.9652   3.1428   9.0121   3.6547 -2.046893 4.820143 
1 1 1   28    1   45 o   16.806   2.4968   41.393   10.928   30.842   15.222   52.614   15.698   13.694   3.9319   18.468   3.2851 -4.773867 5.123604 
1 1 1   28    1   46 o   14.268   2.5517   30.371   9.4199   34.244   13.066   26.178   13.593   14.657   3.3870   12.607   3.7429 2.050089 5.047848 
1 1 1   28    1   47 o   9.1570   3.1187   12.673   9.1841   6.3894   12.861   19.211   13.119   8.3328   3.4696   10.870   3.7272 -2.536904 5.092156 
1 1 1   28    2  -40 o   27.124   1.9826  102.132   14.344  106.129   20.561   98.342   20.020   27.190   2.8583   26.139   2.9004 1.050285 4.072106 
1 1 1   28    2  -39 o   16.640   3.0073   40.381   12.946   39.640   18.210   41.138   18.407   15.991   4.1896   16.292   4.1845 -0.3017035 5.921354 
1 1 1   28    2  -38 o   30.434   1.4928  126.055   12.203  137.678   15.683  108.223   19.427   31.643   1.8534   27.703   2.6429 3.940054 3.227993 
1 1 1   28    2  -37 o   36.890   1.1780  184.178   11.672  177.758   16.575  190.493   16.440   36.087   1.7100   37.382   1.6374 -1.295448 2.367507 
1 1 1   28    2  -36 o   35.549   1.2015  171.022   11.472  186.031   16.282  156.226   16.167   36.953   1.6405   33.774   1.7885 3.179283 2.426904 
1 1 1   28    2  -35 o   20.733   1.7290   59.015   9.5402   52.242   13.463   65.846   13.521   19.201   2.6837   21.714   2.3562 -2.512590 3.571283 
1 1 1   28    2  -34 o   18.356   1.8580   46.503   9.0339   57.526   12.800   35.563   12.752   20.268   2.3978   15.629   3.1466 4.638939 3.956072 
1 1 1   28    2  -33 o   45.847   1.5771  285.878   19.421  283.829   27.385  287.951   27.546   45.389   2.2463   45.719   2.2432 -0.3300171 3.174573 
1 1 1   28    2  -32 o   30.352   1.2916  124.757   10.530  129.761   14.875  119.730   14.908   30.782   1.8071   29.538   1.8889 1.244307 2.614112 
1 1 1   28    2  -31 o   9.9242   2.9353   14.041   8.3719   25.451   11.780   2.3982   11.900   13.166   3.3291   7.9222   3.3210 5.244318 4.702394 
1 1 1   28    2  -30 o   22.794   1.5075   70.815   9.1770   71.210   12.855   70.404   13.105   22.692   2.1343   22.544   2.1919 0.1474838 3.059359 
1 1 1   28    2  -29 o   45.589   1.4887  281.880   18.229  276.462   25.809  287.275   25.752   44.915   2.1394   45.804   2.0932 -0.8894844 2.993069 
1 1 1   28    2  -28 o   37.638   1.1047  191.221   11.168  179.195   15.548  204.040   16.051   36.335   1.5931   38.785   1.5408 -2.450329 2.216336 
1 1 1   28    2  -27 o   7.2842   2.8118   4.9881   7.7969   16.385   11.131  -5.9892   10.925   10.826   3.4206   6.4016   2.9097 4.424434 4.490791 
1 1 1   28    2  -26 o   21.340   1.5387   62.013   8.7600   74.327   12.740   50.969   12.065   23.254   2.0611   19.135   2.4002 4.118050 3.163741 
1 1 1   28    2  -25 o   37.553   1.0688  190.159   10.780  201.477   15.308  179.025   15.184   38.582   1.4772   36.354   1.5550 2.228424 2.144819 
1 1 1   28    2  -24 o   29.305   1.2045  115.901   9.4803  121.691   13.361  110.032   13.453   29.914   1.6696   28.418   1.7714 1.496126 2.434231 
1 1 1   28    2  -23 o   49.593   0.9941  331.368   13.242  333.484   18.670  329.227   18.784   49.672   1.3994   49.350   1.4171 0.3221016 1.991633 
1 1 1   28    2  -22 o   26.005   1.2972   91.303   9.0604   79.793   12.562  103.781   13.080   24.153   1.9532   27.606   1.7734 -3.452799 2.638162 
1 1 1   28    2  -21 o   13.619   2.3873   26.049   8.4143   18.871   13.068   31.134   10.998   11.666   3.7084   14.803   2.8697 -3.136610 4.689014 
1 1 1   28    2  -20 o   79.062   1.5128  845.221   32.124  864.340   45.961  826.960   44.918   79.676   2.1477   77.935   2.1458 1.740982 3.035980 
1 1 1   28    2  -19 o   61.981   1.1505  517.918   19.153  526.438   23.464  500.908   33.154   62.431   1.3993   60.707   2.0333 1.724430 2.468285 
1 1 1   28    2  -18 o   26.264   1.2359   93.040   8.7182   96.438   12.586   89.906   12.088   26.622   1.7703   25.702   1.7616 0.9197922 2.497461 
1 1 1   28    2  -17 o   48.187   0.9749  312.645   12.617  319.379   17.671  305.642   18.021   48.644   1.3525   47.576   1.4103 1.068024 1.954026 
1 1 1   28    2  -16 o   34.210   1.0888  157.667   10.005  155.453   14.139  159.887   14.159   33.914   1.5522   34.397   1.5326 -0.4830627 2.181303 
1 1 1   28    2  -15 o   26.620   1.4014   95.906   9.9846   87.694   12.356  111.360   16.949   25.381   1.8247   28.530   2.2296 -3.149164 2.881045 
1 1 1   28    2  -14 o   37.314   1.5108  188.049   15.142  207.050   24.406  176.158   19.307   38.932   2.3449   35.984   2.0056 2.948277 3.085636 
1 1 1   28    2  -13 o   29.665   1.3052  118.668   10.399  109.035   18.127  123.394   12.697   28.198   2.4168   30.183   1.5716 -1.984852 2.882882 
1 1 1   28    2  -12 o   39.709   0.8799  212.133   9.3844  217.353   11.893  203.521   15.276   40.174   1.1022   38.833   1.4646 1.341019 1.833002 
1 1 1   28    2  -11 f   56.394   0.7479  427.629   11.328  424.702   15.638  430.860   16.433   56.168   1.0366   56.568   1.0816 -0.3997345 1.498105 
1 1 1   28    2  -10 o   70.563   0.8189  669.655   15.520  663.065   23.221  674.976   20.865   70.151   1.2324   70.802   1.0972 -0.6513596 1.650053 
1 1 1   28    2   -9 o   48.698   0.7282  318.834   9.5253  326.935   13.699  311.252   13.253   49.285   1.0349   48.089   1.0261 1.195705 1.457353 
1 1 1   28    2   -8 o   76.979   0.8116  796.874   16.781  808.940   23.953  785.243   23.518   77.507   1.1506   76.364   1.1466 1.142967 1.624393 
1 1 1   28    2   -7 o   60.582   0.8682  493.635   14.127  523.503   21.981  472.616   18.440   62.328   1.3130   59.244   1.1589 3.084351 1.751291 
1 1 1   28    2   -6 o   24.944   0.9134   83.697   6.1199   73.550   8.6090   94.064   8.7016   23.319   1.3807   26.427   1.2259 -3.108164 1.846390 
1 1 1   28    2   -5 o   27.860   1.2495  104.547   9.3501  111.102   12.665   96.695   13.862   28.641   1.6534   26.667   1.9488 1.974119 2.555707 
1 1 1   28    2   -4 o   21.318   1.0627   61.160   6.0846   59.542   8.8735   62.596   8.3593   20.947   1.5890   21.498   1.4563 -0.5507565 2.155382 
1 1 1   28    2   -3 o   17.957   1.1782   43.600   5.6509   38.532   8.0344   48.562   7.9495   16.792   1.8100   18.907   1.5799 -2.114937 2.402498 
1 1 1   28    2   -2 o   79.346   0.8292  846.566   17.672  856.707   25.164  836.698   24.824   79.769   1.1745   78.833   1.1724 0.9366989 1.659506 
1 1 1   28    2   -1 o   77.828   0.8616  814.562   18.012  816.333   26.886  813.121   24.260   77.848   1.2858   77.716   1.1622 0.1319351 1.733248 
1 1 1   28    2    0 o   32.440   0.9916  141.581   8.6401  120.666   12.931  158.450   11.613   29.861   1.6183   34.300   1.2606 -4.438694 2.051310 
1 1 1   28    2    1 o   14.078   1.5700   27.064   5.8356   31.283   8.7869   23.735   7.8057   15.033   2.2450   13.042   2.3130 1.990973 3.223359 
1 1 1   28    2    2 o   57.247   0.7903  440.617   12.152  438.226   18.015  442.613   16.460   57.052   1.1757   57.349   1.0686 -0.2974968 1.588725 
1 1 1   28    2    3 o   18.138   1.3578   44.577   6.5666   52.663   10.764   39.784   8.2875   19.618   2.0742   17.062   1.8375 2.556185 2.771029 
1 1 1   28    2    4 o   12.539   1.9495   21.759   6.3526   12.894   9.6734   28.482   8.4236   9.8512   3.1969   14.324   2.2647 -4.473189 3.917753 
1 1 1   28    2    5 o   70.584   0.8403  669.971   15.931  649.142   23.454  687.812   21.707   69.420   1.2579   71.479   1.1306 -2.058449 1.691333 
1 1 1   28    2    6 o   30.605   0.9221  125.998   7.5803  127.795   11.641  124.675   9.9883   30.789   1.4076   30.425   1.2223 0.3637295 1.864254 
1 1 1   28    2    7 o   22.702   1.0933   69.377   6.6663   71.359   10.036   67.812   8.9175   22.932   1.6403   22.372   1.4926 0.5598412 2.217758 
1 1 1   28    2    8 o   45.135   0.8218  273.961   9.9628  282.643   15.065  267.212   13.282   45.806   1.2245   44.550   1.1100 1.255829 1.652707 
1 1 1   28    2    9 o   23.968   1.0196   77.314   6.5636   70.895   9.2297   83.882   9.3359   22.872   1.5109   24.902   1.4015 -2.029697 2.060887 
1 1 1   28    2   10 o   35.337   0.8433  167.950   8.0041  164.991   11.240  170.995   11.401   34.997   1.1958   35.628   1.1914 -0.6314735 1.687972 
1 1 1   28    2   11 f   8.9217   2.3441   11.212   5.6902   8.6008   7.9120   14.010   8.1895   8.3385   2.8925   10.008   2.8870 -1.669850 4.086709 
1 1 1   28    2   12 o   7.9159   2.6307   8.1241   6.5360   1.4597   9.0176   15.500   9.4868   6.9487   2.9002   10.543   3.1261 -3.593811 4.264294 
1 1 1   28    2   13 o   5.9524   2.3509   2.6965   5.5534   1.3285   7.7347   4.1519   7.9783   6.4589   2.6901   7.1797   2.8234 -0.7207551 3.899787 
1 1 1   28    2   14 o   34.738   0.8619  162.358   8.0418  169.423   11.316  155.150   11.431   35.456   1.1882   33.923   1.2545 1.533085 1.727937 
1 1 1   28    2   15 o   45.146   0.8035  274.173   9.7433  270.350   13.680  278.109   13.880   44.793   1.1371   45.431   1.1375 -0.6382103 1.608365 
1 1 1   28    2   16 o   63.792   0.8606  547.581   14.745  552.062   20.899  543.140   20.807   63.990   1.2160   63.469   1.2205 0.5201569 1.722854 
1 1 1   28    2   17 o   43.246   0.8238  251.628   9.5691  242.917   13.361  260.802   13.711   42.450   1.1718   43.987   1.1606 -1.536560 1.649276 
1 1 1   28    2   18 o   20.967   1.2290   59.491   6.8908   48.604   9.6328   70.901   9.8613   18.829   1.9321   22.836   1.6182 -4.007458 2.520288 
1 1 1   28    2   19 o   36.147   0.8816  175.866   8.5594  178.741   12.178  173.059   12.033   36.400   1.2456   35.816   1.2509 0.5838890 1.765270 
1 1 1   28    2   20 o   26.221   1.1140   92.679   7.8459   91.239   11.749   93.838   10.540   25.899   1.6984   26.304   1.4981 -0.4043255 2.264754 
1 1 1   28    2   21 o   61.493   0.8518  508.965   14.069  511.876   20.929  506.564   19.004   61.586   1.2652   61.291   1.1544 0.2951660 1.712746 
1 1 1   28    2   22 o   35.939   0.9484  173.954   9.1545  165.306   13.472  181.374   12.478   34.970   1.4343   36.656   1.2674 -1.686264 1.914002 
1 1 1   28    2   23 o   24.791   1.3414   83.262   8.8985   86.644   13.570   80.710   11.787   25.153   2.0258   24.317   1.8178 0.8353233 2.721755 
1 1 1   28    2   24 o   68.829   0.8779  637.898   16.229  639.309   24.105  636.729   21.949   68.796   1.3045   68.690   1.1897 0.1054230 1.765529 
1 1 1   28    2   25 o   28.667   1.0568  110.808   8.1373  106.240   12.190  114.480   10.929   27.947   1.6310   29.095   1.3985 -1.147802 2.148489 
1 1 1   28    2   26 o   7.9169   2.5895   8.3429   6.3424   11.080   9.0347   5.6837   8.9056   9.1779   3.0934   7.7719   3.0037 1.405909 4.311743 
1 1 1   28    2   27 o   8.0801   2.7912   8.2832   7.3638   1.0444   11.043   14.078   9.8811   7.4800   3.1707   10.098   3.2263 -2.617790 4.523538 
1 1 1   28    2   28 o   18.868   1.4814   48.542   7.4470   52.494   11.219   45.428   9.9567   19.462   2.1840   18.114   2.0845 1.347383 3.019083 
1 1 1   28    2   29 o   44.041   0.9170  261.465   10.848  259.323   16.320  263.160   14.520   43.755   1.3887   44.119   1.2253 -0.3643570 1.851966 
1 1 1   28    2   30 o   16.790   1.6953   38.741   7.5405   36.856   11.553   40.140   9.9527   16.073   2.7766   16.954   2.2406 -0.8811760 3.567883 
1 1 1   28    2   31 o   23.323   1.3397   73.930   8.3570   71.945   12.594   75.491   11.171   22.818   2.0777   23.462   1.7861 -0.6443157 2.739878 
1 1 1   28    2   32 o   42.930   0.9385  248.601   10.821  247.883   16.367  249.158   14.424   42.745   1.4256   42.905   1.2516 -0.1595306 1.897099 
1 1 1   28    2   33 o   30.489   1.2467  125.830   10.209  125.993   15.659  125.709   13.464   30.282   1.9353   30.339   1.6585 -0.5647469E-01 2.548766 
1 1 1   28    2   34 o   23.087   1.3350   72.475   8.2428   72.663   12.091   72.313   11.267   22.948   1.9811   22.933   1.8448 0.1519775E-01 2.706997 
1 1 1   28    2   35 o   37.348   0.9582  188.224   9.6119  196.971   13.885  180.176   13.319   38.115   1.3564   36.453   1.3603 1.662209 1.920997 
1 1 1   28    2   36 o   33.593   1.0344  152.419   9.3335  161.732   13.522  143.942   12.899   34.507   1.4589   32.550   1.4755 1.957275 2.074973 
1 1 1   28    2   37 o   29.251   1.1204  115.717   8.8028  106.521   12.264  125.489   12.643   27.907   1.6434   30.324   1.5575 -2.417767 2.264209 
1 1 1   28    2   38 o   41.647   0.9441  234.173   10.561  223.804   14.662  245.352   15.224   40.603   1.3444   42.517   1.3332 -1.913528 1.893387 
1 1 1   28    2   39 o   37.535   1.0388  190.548   10.472  180.645   13.920  203.463   15.896   36.435   1.4224   38.628   1.5322 -2.192272 2.090670 
1 1 1   28    2   40 o   23.866   1.4862   78.010   9.4795   71.604   13.249   84.731   13.569   22.594   2.2115   24.658   2.0680 -2.063160 3.027722 
1 1 1   28    2   41 o   27.852   1.3232  105.688   9.8982  120.120   13.897   90.827   14.102   29.481   1.7631   25.478   2.0788 4.002905 2.725803 
1 1 1   28    2   42 o   15.739   2.6945   36.315   10.981   44.813   13.191   17.130   19.820   17.399   2.9264   11.417   4.4619 5.982148 5.335959 
1 1 1   28    2   43 o   8.5665   3.0833   9.8142   9.0550   19.525   12.789   0.0514   12.823   11.253   3.6770   7.5643   3.3115 3.688954 4.948334 
1 1 1   28    2   44 o   23.367   1.6454   76.027   10.261   83.660   13.906   66.904   15.203   24.215   2.1609   21.275   2.7231 2.940208 3.476257 
1 1 1   28    2   45 o   19.668   1.9346   54.985   10.087   52.533   13.645   57.940   14.980   18.678   2.8067   19.526   2.9481 -0.8479137 4.070481 
1 1 1   28    2   46 o   13.831   2.7725   29.370   9.9411   8.5181   14.898   46.106   13.347   9.0078   3.7410   17.255   2.9881 -8.247043 4.787941 
1 1 1   28    3  -39 o   12.813   3.5672   24.941   12.729   15.612   18.232   33.813   17.779   11.196   4.3059   14.659   4.2611 -3.463042 6.057862 
1 1 1   28    3  -38 o   12.761   3.5142   24.477   12.428   27.409   17.704   21.629   17.450   13.423   4.3216   12.269   4.2934 1.153028 6.091748 
1 1 1   28    3  -37 o   21.787   1.8614   65.554   10.788   62.421   13.647   70.773   17.613   21.042   2.4613   22.162   3.0390 -1.120359 3.910692 
1 1 1   28    3  -36 o   7.3227   2.9046   4.4992   8.5120   5.9103   11.934   3.0379   12.144   8.5119   3.4182   8.0561   3.3643 0.4558611 4.796132 
1 1 1   28    3  -35 o   14.025   2.4379   27.992   8.8503   27.102   12.619   28.853   12.416   13.514   3.4614   13.969   3.3519 -0.4559259 4.818339 
1 1 1   28    3  -34 o   17.281   1.9934   41.464   9.0823   22.750   12.825   60.290   12.863   12.425   3.6212   20.762   2.3480 -8.337033 4.315819 
1 1 1   28    3  -33 o   9.4875   3.0505   12.511   8.8233   5.6062   12.390   19.616   12.568   8.5891   3.4710   11.646   3.6279 -3.056601 5.020925 
1 1 1   28    3  -32 o   8.2340   3.2470   6.0666   10.579   12.310   16.737   1.9134   13.651   10.640   4.1163   8.3015   3.5225 2.338811 5.417737 
1 1 1   28    3  -31 o   40.486   1.2317  221.861   13.394  232.427   17.836  208.197   20.282   41.326   1.6069   38.996   1.9364 2.329823 2.516322 
1 1 1   28    3  -30 o   9.3384   2.9909   12.083   8.4878  -0.2335   11.861   25.012   12.152   7.4820   3.2308   13.028   3.4268 -5.546092 4.709704 
1 1 1   28    3  -29 o   23.594   1.5003   75.879   9.4585   61.291   12.980   92.397   13.812   20.963   2.3454   25.905   2.0006 -4.941547 3.082756 
1 1 1   28    3  -28 o   23.994   2.0792   79.436   13.268   80.075   19.328   78.867   18.245   23.713   3.1096   23.600   2.9423 0.1130733 4.280945 
1 1 1   28    3  -27 o   42.950   1.1902  249.296   13.730  256.244   22.048  244.894   17.548   43.337   1.8942   42.480   1.5380 0.8567543 2.439909 
1 1 1   28    3  -26 o   17.628   1.7665   42.683   8.2513   39.810   11.469   45.766   11.880   16.792   2.6291   18.062   2.5173 -1.270361 3.639906 
1 1 1   28    3  -25 o   8.6632   2.8448   10.052   7.6515  -0.5383   10.919   20.271   10.725   7.1812   3.1004   11.847   3.2656 -4.665407 4.502996 
1 1 1   28    3  -24 o   18.175   1.7520   45.278   8.4466   43.075   11.739   47.643   12.163   17.520   2.5711   18.457   2.5194 -0.9370041 3.599700 
1 1 1   28    3  -23 o   22.447   1.4520   68.460   8.7069   79.348   12.586   58.466   12.058   24.063   1.9645   20.570   2.2176 3.493078 2.962574 
1 1 1   28    3  -22 o   40.115   1.0346  216.917   11.147  241.837   16.014  193.495   15.525   42.289   1.4099   37.804   1.5290 4.485027 2.079836 
1 1 1   28    3  -21 o   64.360   1.0030  558.159   17.339  569.387   24.748  547.332   24.301   64.894   1.4198   63.624   1.4220 1.269913 2.009483 
1 1 1   28    3  -20 o   31.320   1.2583  132.419   10.585  121.697   16.506  139.908   13.795   29.826   2.0734   32.143   1.5979 -2.317686 2.617644 
1 1 1   28    3  -19 o   49.672   1.1560  332.750   15.423  326.805   26.402  335.828   19.001   49.019   2.0053   49.848   1.4192 -0.8289337 2.456737 
1 1 1   28    3  -18 o   24.965   1.5277   84.610   10.194   90.286   12.403   72.793   17.897   25.738   1.8056   22.789   2.9967 2.949062 3.498599 
1 1 1   28    3  -17 o   18.325   2.5205   46.768   12.077   45.411   13.095   54.490   31.244   17.978   2.8033   19.011   5.6815 -1.032595 6.335444 
1 1 1   28    3  -16 o   47.863   0.9862  308.535   12.678  309.891   18.027  307.209   17.833   47.898   1.4012   47.692   1.3921 0.2059937 1.975207 
1 1 1   28    3  -15 o   32.248   1.1816  140.218   10.234  143.929   16.008  137.652   13.309   32.529   1.8398   31.905   1.5531 0.6239395 2.407646 
1 1 1   28    3  -14 o   34.172   1.2353  157.488   11.338  162.148   14.377  149.822   18.440   34.632   1.5456   33.138   2.0824 1.494564 2.593261 
1 1 1   28    3  -13 o   48.460   1.1319  316.478   14.733  315.299   18.387  318.592   24.625   48.323   1.4167   48.472   1.8914 -0.1490097 2.363132 
1 1 1   28    3  -12 o   24.400   0.8484   80.104   5.5598   78.193   7.2110   82.906   8.7307   24.090   1.1145   24.755   1.3178 -0.6647530 1.725892 
1 1 1   28    3  -11 o   49.232   0.7549  325.982   9.9827  323.005   15.006  328.347   13.371   48.961   1.1411   49.382   1.0081 -0.4212875 1.522593 
1 1 1   28    3  -10 o   94.913   1.1097  1213.54   28.290  1210.49   45.787  1215.42   35.979   94.556   1.8028   94.897   1.4116 -0.3405380 2.289696 
1 1 1   28    3   -9 o   13.917   1.3504   26.371   4.9842   19.055   7.3623   32.561   6.7721   11.617   2.4374   15.432   1.6600 -3.815276 2.948938 
1 1 1   28    3   -8 o   10.144   1.8411   14.354   4.8316   14.389   7.0148   14.323   6.6644   10.081   2.5799   10.058   2.4822 0.2361679E-01 3.580112 
1 1 1   28    3   -7 o   31.765   0.8969  135.760   7.6519  125.089   10.904  146.113   10.741   30.457   1.3329   32.928   1.2144 -2.471657 1.803197 
1 1 1   28    3   -6 o   10.337   1.9551   14.943   5.2293   20.317   7.3886   9.5489   7.4019   12.020   2.3729   8.5244   2.7979 3.495153 3.668662 
1 1 1   28    3   -5 f   10.672   1.8684   15.855   5.1602   22.419   7.3405   9.4423   7.2554   12.668   2.2393   8.4679   2.7696 4.199722 3.561684 
1 1 1   28    3   -4 o   58.596   0.7923  461.738   12.470  470.634   17.102  451.639   18.221   59.123   1.0769   57.904   1.1716 1.219009 1.591344 
1 1 1   28    3   -3 o   48.134   0.9131  311.720   11.804  329.862   16.592  293.124   16.798   49.476   1.2486   46.627   1.3413 2.848713 1.832473 
1 1 1   28    3   -2 o   54.798   0.7567  403.766   11.138  403.114   15.802  404.410   15.701   54.719   1.0752   54.808   1.0666 -0.8895493E-01 1.514451 
1 1 1   28    3   -1 o   23.382   1.1602   73.633   7.2860   68.210   10.355   78.950   10.254   22.398   1.7347   24.129   1.5911 -1.730350 2.353925 
1 1 1   28    3    0 o   29.052   0.8882  113.538   6.9310  114.681   9.8158  112.401   9.7881   29.173   1.2527   28.881   1.2618 0.2922440 1.778051 
1 1 1   28    3    1 o   27.707   0.9082  103.279   6.7585   90.173   9.5520  116.417   9.5638   25.823   1.3822   29.396   1.2113 -3.573397 1.837874 
1 1 1   28    3    2 o   47.289   0.7935  300.731   10.078  301.209   14.989  300.336   13.615   47.288   1.1802   47.231   1.0732 0.5630875E-01 1.595172 
1 1 1   28    3    3 o   19.601   1.2249   51.964   6.4163   53.038   9.7454   51.142   8.5246   19.712   1.8627   19.387   1.6528 0.3250046 2.490280 
1 1 1   28    3    4 o   16.912   1.4718   38.882   6.6189   27.915   9.8777   47.820   8.9170   14.076   2.7111   18.719   1.7956 -4.643606 3.251771 
1 1 1   28    3    5 f   40.913   0.8341  225.146   9.1657  224.064   13.849  225.990   12.227   40.773   1.2645   40.965   1.1113 -0.1916084 1.683433 
1 1 1   28    3    6 o   73.267   0.8501  722.088   16.730  714.964   24.828  728.013   22.642   72.831   1.2692   73.517   1.1467 -0.6863708 1.710477 
1 1 1   28    3    7 o   34.281   0.8977  158.118   8.2652  144.056   12.367  169.469   11.111   32.676   1.4091   35.467   1.1664 -2.790844 1.829212 
1 1 1   28    3    8 o   49.926   0.8142  335.270   10.919  320.416   16.087  347.957   14.867   48.758   1.2284   50.830   1.0890 -2.071789 1.641608 
1 1 1   28    3    9 o   5.0486   2.2324  -1.8687   5.9636   2.4310   9.3300  -4.8387   7.7544   7.2419   2.9796   5.3581   2.4416 1.883781 3.852209 
1 1 1   28    3   10 o   40.780   0.8526  223.739   9.3385  224.965   14.044  222.767   12.504   40.845   1.2801   40.662   1.1449 0.1834145 1.717381 
1 1 1   28    3   11 o   37.613   1.0227  190.505   10.332  175.613   15.644  202.026   13.760   36.041   1.6161   38.699   1.3238 -2.657860 2.089072 
1 1 1   28    3   12 o   38.085   0.8385  195.153   8.5776  187.052   12.038  203.507   12.225   37.250   1.2032   38.857   1.1713 -1.607731 1.679222 
1 1 1   28    3   13 o   19.006   1.2611   48.931   6.4013   42.149   9.0657   55.674   9.0399   17.519   1.9602   20.215   1.6801 -2.696375 2.581733 
1 1 1   28    3   14 o   25.389   1.0249   86.820   6.9888   85.620   9.8341   88.045   9.9340   25.133   1.4631   25.488   1.4571 -0.3555698 2.064946 
1 1 1   28    3   15 o   8.5825   2.5071   10.263   6.1414   11.441   8.6934   9.0900   8.6772   9.2653   3.0318   8.6071   3.0267 0.6581955 4.283966 
1 1 1   28    3   16 o   68.134   0.8801  624.859   16.106  621.677   22.763  628.050   22.792   67.882   1.2485   68.230   1.2437 -0.3482437 1.762218 
1 1 1   28    3   17 o   47.722   0.8135  306.454   10.427  307.185   14.791  305.733   14.702   47.731   1.1538   47.618   1.1495 0.1121712 1.628683 
1 1 1   28    3   18 o   16.546   1.5072   37.324   6.6249   36.370   9.3450   38.289   9.3932   16.193   2.2060   16.634   2.1529 -0.4410267 3.082471 
1 1 1   28    3   19 o   59.080   0.8125  469.727   12.892  472.999   18.156  466.399   18.310   59.225   1.1414   58.806   1.1592 0.4184189 1.626812 
1 1 1   28    3   20 o   23.536   1.2134   74.945   7.6447   71.878   11.324   77.513   10.363   22.934   1.8541   23.868   1.6261 -0.9336472 2.466183 
1 1 1   28    3   21 o   22.284   1.2764   67.267   7.6076   77.651   11.724   59.716   9.9983   23.841   1.8453   20.899   1.7987 2.942080 2.576910 
1 1 1   28    3   22 o   43.619   0.9983  256.398   11.696  245.881   17.755  264.462   15.546   42.611   1.5513   44.244   1.3082 -1.633965 2.029294 
1 1 1   28    3   23 o   49.633   0.8838  331.765   11.781  333.869   17.798  330.124   15.718   49.701   1.3332   49.455   1.1833 0.2459259 1.782636 
1 1 1   28    3   24 o   31.713   1.0319  135.609   8.7898  134.258   12.860  136.794   12.041   31.481   1.5209   31.796   1.4100 -0.3153286 2.073954 
1 1 1   28    3   25 o   5.5159   2.4703  -3.0991   7.5443   4.0146   12.204  -7.4985   9.5976   8.3262   3.4147   5.7207   2.6466 2.605531 4.320290 
1 1 1   28    3   26 o   17.227   1.6938   40.710   7.7362   42.072   11.985   39.737   10.129   17.259   2.6718   16.872   2.2947 0.3870029 3.521924 
1 1 1   28    3   27 o   19.115   1.4366   49.793   7.3220   51.622   10.083   47.753   10.650   19.345   1.9679   18.543   2.1801 0.8025417 2.936873 
1 1 1   28    3   28 o   17.178   1.5568   40.394   7.1049   37.934   9.7753   43.148   10.344   16.466   2.2708   17.587   2.2408 -1.121778 3.190197 
1 1 1   28    3   29 o   39.608   0.9470  211.606   10.074  211.029   14.931  212.089   13.649   39.449   1.4091   39.581   1.2839 -0.1312523 1.906311 
1 1 1   28    3   30 o   30.665   1.0669  127.009   8.7872  113.007   13.013  138.745   11.914   28.753   1.6925   31.987   1.3867 -3.234299 2.188013 
1 1 1   28    3   31 o   29.567   1.1457  118.205   9.0987  109.793   14.265  123.974   11.814   28.272   1.8894   30.218   1.4556 -1.945248 2.385055 
1 1 1   28    3   32 o   32.597   1.2689  143.909   11.109  139.542   17.544  146.832   14.353   31.816   2.0642   32.837   1.6274 -1.020939 2.628583 
1 1 1   28    3   33 o   8.0588   2.9425   7.6706   8.2882   0.4046   11.771   14.816   11.673   7.5427   3.2374   10.405   3.5160 -2.861890 4.779446 
1 1 1   28    3   34 o   24.170   1.2470   79.316   8.0676   72.431   11.086   87.066   11.762   22.954   1.8130   25.198   1.7488 -2.244102 2.518952 
1 1 1   28    3   35 o   24.360   1.3520   80.736   8.8113   73.467   11.411   91.473   13.867   23.100   1.8548   25.735   2.0225 -2.634674 2.744206 
1 1 1   28    3   36 o   27.313   1.2233  101.054   8.9743  113.570   11.943   84.823   13.601   28.841   1.5474   24.748   2.0650 4.092829 2.580443 
1 1 1   28    3   37 o   12.816   2.2638   23.367   7.5079   24.450   10.494   22.233   10.746   12.880   3.0758   12.255   3.2221 0.6246977 4.454428 
1 1 1   28    3   38 o   20.546   1.4580   57.783   7.9936   63.187   11.120   52.003   11.499   21.332   1.9627   19.227   2.2705 2.105036 3.001235 
1 1 1   28    3   39 o   27.364   1.4478  102.410   10.603  119.369   13.788   77.869   16.586   29.428   1.7524   23.322   2.6976 6.105608 3.216780 
1 1 1   28    3   40 o   12.703   2.6081   23.641   8.6006   36.967   12.151   10.263   12.175   15.800   2.9724   9.2713   3.5298 6.529056 4.614577 
1 1 1   28    3   41 o   11.738   2.8238   20.630   8.7944   17.014   12.471   24.208   12.403   10.721   3.6342   12.486   3.5373 -1.765581 5.071514 
1 1 1   28    3   42 o   13.872   2.6170   28.472   9.3932   36.074   13.074   20.360   13.505   15.298   3.2803   11.445   3.7803 3.852337 5.005154 
1 1 1   28    3   43 o   25.366   1.6161   89.467   10.953  110.640   14.743   63.382   16.364   27.990   1.9736   20.436   3.0765 7.554092 3.655185 
1 1 1   28    3   44 o   16.361   2.2278   38.910   9.5352   47.465   13.662   30.784   13.314   17.597   2.9980   13.743   3.5736 3.853656 4.664631 
1 1 1   28    3   45 o   6.0232   2.7059  -2.1926   9.1258  -3.4115   12.985  -1.0031   12.828   6.9787   3.1721   7.2357   3.2323 -0.2570286 4.528796 
1 1 1   28    4  -38 f   20.521   2.5052   60.053   13.521   79.528   19.620   42.437   18.660   23.241   3.2304   16.376   4.2169 6.864939 5.312094 
1 1 1   28    4  -37 o   16.904   2.9358   41.646   12.845   46.994   18.164   36.296   18.168   17.479   3.9607   15.225   4.2699 2.253740 5.823995 
1 1 1   28    4  -36 o   46.346   1.4129  292.170   17.587  290.171   23.980  294.496   25.871   45.927   1.9440   46.185   2.0856 -0.2580757 2.851104 
1 1 1   28    4  -35 o   16.579   2.0765   38.410   9.0435   39.378   12.596   37.381   12.992   16.482   2.9539   15.978   3.1392 0.5039406 4.310514 
1 1 1   28    4  -34 o   23.824   1.4962   77.494   9.5252   68.552   13.231   87.115   13.724   22.168   2.2534   25.089   2.0547 -2.920984 3.049541 
1 1 1   28    4  -33 o   15.152   2.2907   32.375   9.0314   42.570   12.873   22.492   12.674   17.207   2.8876   12.345   3.6004 4.862420 4.615318 
1 1 1   28    4  -32 o   5.9074   2.6222  -2.4220   8.3047  -1.3314   11.699  -3.5299   11.791   7.2505   3.1689   6.9688   3.1070 0.2816558 4.437920 
1 1 1   28    4  -31 o   26.449   1.4346   95.276   10.154  111.206   14.470   79.825   14.251   28.435   1.9057   23.957   2.2408 4.477535 2.941564 
1 1 1   28    4  -30 o   6.0687   2.7739  -6.0004   10.106 -10.4825   12.949   0.9848   16.165   6.5264   3.0381   8.7981   3.7855 -2.271729 4.853932 
1 1 1   28    4  -29 o   22.724   1.5268   70.504   9.2647   70.962   12.879   70.013   13.337   22.619   2.1456   22.433   2.2436 0.1859226 3.104387 
1 1 1   28    4  -28 o   17.773   1.8336   43.583   8.6271   57.803   12.133   29.040   12.270   20.368   2.2557   14.055   3.3057 6.313182 4.001956 
1 1 1   28    4  -27 o   30.013   1.4216  122.178   11.460  110.123   14.261  144.145   19.252   28.329   1.8851   32.295   2.2332 -3.966213 2.922442 
1 1 1   28    4  -26 o   35.848   1.3017  173.962   12.533  168.856   21.542  176.575   15.410   34.951   2.3077   36.045   1.5917 -1.093895 2.803417 
1 1 1   28    4  -25 o   14.123   2.2718   28.043   8.3253   18.210   11.603   38.478   11.953   11.299   3.4803   16.432   2.8091 -5.133229 4.472495 
1 1 1   28    4  -24 o   23.193   1.4625   73.175   9.0636   73.020   12.907   73.325   12.730   23.010   2.1121   23.068   2.0769 -0.5823898E-01 2.962183 
1 1 1   28    4  -23 o   40.623   1.0563  222.615   11.526  222.955   16.304  222.276   16.295   40.562   1.4966   40.500   1.4980 0.6214142E-01 2.117482 
1 1 1   28    4  -22 o   44.408   1.0279  265.921   12.260  265.679   17.399  266.159   17.279   44.295   1.4624   44.338   1.4509 -0.4284286E-01 2.060056 
1 1 1   28    4  -21 o   22.383   1.4589   68.093   8.7226   70.607   12.391   65.624   12.281   22.663   2.0581   21.826   2.1217 0.8370285 2.955932 
1 1 1   28    4  -20 o   42.892   1.2183  248.388   14.036  253.783   19.403  242.465   20.329   43.255   1.6701   42.248   1.7915 1.007080 2.449241 
1 1 1   28    4  -19 f   14.589   2.1337   29.614   8.1136   4.8683   11.484   54.272   11.464   8.3134   3.3480   19.824   2.1896 -11.51061 4.000449 
1 1 1   28    4  -18 f   32.323   1.3187  141.136   11.449  156.119   20.249  134.096   13.881   33.738   2.2474   31.413   1.6510 2.325302 2.788638 
1 1 1   28    4  -17 o   15.024   2.2351   31.449   8.7447   38.873   12.699   24.754   12.060   16.545   2.9667   13.088   3.3999 3.456326 4.512239 
1 1 1   28    4  -16 o   39.146   1.1318  206.639   11.900  211.887   15.776  199.711   18.127   39.581   1.4839   38.372   1.7588 1.208672 2.301162 
1 1 1   28    4  -15 o   16.212   2.2402   36.499   9.4941   24.346   11.691   60.033   16.269   12.995   3.3334   20.649   3.0230 -7.653858 4.499986 
1 1 1   28    4  -14 o   53.003   1.0523  378.567   14.981  366.060   19.393  397.076   23.591   52.054   1.3871   54.156   1.6218 -2.101696 2.134078 
1 1 1   28    4  -13 o   14.553   2.2632   29.534   8.5592   25.556   10.926   35.853   13.770   13.345   3.1065   15.795   3.3498 -2.449662 4.568530 
1 1 1   28    4  -12 o   20.641   1.1112   57.594   6.1381   56.023   6.7665   64.893   14.586   20.340   1.2445   21.631   2.5602 -1.290857 2.846644 
1 1 1   28    4  -11 o   39.151   0.7434  206.183   7.8169  208.428   10.941  203.842   11.172   39.334   1.0356   38.895   1.0694 0.4392281 1.488661 
1 1 1   28    4  -10 o   46.944   0.7816  296.472   9.8552  292.524   13.120  301.584   14.929   46.599   1.0483   47.296   1.1752 -0.6972122 1.574796 
1 1 1   28    4   -9 o   10.757   1.7263   16.053   4.8192   17.689   7.1262   14.674   6.5420   11.174   2.4426   10.170   2.4284 1.003706 3.444330 
1 1 1   28    4   -8 o   19.186   1.1736   49.803   6.0188   46.110   9.7914   52.046   7.6306   18.320   2.0237   19.576   1.4618 -1.255909 2.496468 
1 1 1   28    4   -7 o   41.903   0.8539  236.270   9.6110  238.471   14.197  234.409   13.059   42.050   1.2570   41.703   1.1658 0.3473091 1.714410 
1 1 1   28    4   -6 o   28.391   0.9348  108.500   7.1287  110.557   11.121  107.065   9.2880   28.576   1.4537   28.179   1.2272 0.3966751 1.902422 
1 1 1   28    4   -5 o   43.308   0.8190  252.328   9.5272  241.625   13.407  263.245   13.541   42.340   1.1789   44.199   1.1406 -1.858788 1.640394 
1 1 1   28    4   -4 o   67.194   0.7865  607.313   14.195  614.333   20.296  600.590   19.861   67.526   1.1190   66.769   1.1075 0.7573929 1.574382 
1 1 1   28    4   -3 o   14.984   1.5458   30.652   6.1319   26.487   8.3001   35.657   9.0982   13.767   2.3276   16.059   2.1644 -2.292205 3.178426 
1 1 1   28    4   -2 o   77.002   0.9029  797.931   18.675  786.314   29.353  805.831   24.205   76.321   1.4319   77.330   1.1654 -1.008789 1.846210 
1 1 1   28    4   -1 o   46.419   0.8886  289.943   11.079  287.725   14.864  292.715   16.616   46.203   1.1978   46.583   1.3280 -0.3797188 1.788417 
1 1 1   28    4    0 o   42.076   0.7839  238.119   8.8592  230.814   12.487  245.522   12.571   41.392   1.1232   42.693   1.0963 -1.301628 1.569522 
1 1 1   28    4    1 o   17.580   1.2832   41.898   6.0174   53.337   8.5602   30.724   8.4603   19.798   1.6241   14.885   2.1808 4.913039 2.719159 
1 1 1   28    4    2 o   42.661   0.7888  244.792   9.0379  245.309   12.915  244.297   12.652   42.671   1.1269   42.585   1.1061 0.8560944E-01 1.579045 
1 1 1   28    4    3 o   41.063   0.8975  226.907   9.8988  221.583   14.925  231.089   13.227   40.523   1.3712   41.407   1.1893 -0.8845406 1.815118 
1 1 1   28    4    4 o   9.5648   2.3241   12.948   5.9120   12.469   8.8684   13.331   7.9316   9.5966   3.0554   9.7645   2.8483 -0.1679134 4.177133 
1 1 1   28    4    5 o   9.1509   2.3997   11.828   5.9709   18.556   8.8986   6.3190   8.0528   11.414   2.8976   7.7365   2.8869 3.677106 4.090243 
1 1 1   28    4    6 o   26.730   1.0029   96.206   7.1999   92.702   10.710   99.096   9.7255   26.148   1.5316   27.100   1.3361 -0.9520302 2.032504 
1 1 1   28    4    7 o   22.412   1.1780   67.892   7.0663   59.093   10.554   75.040   9.5133   20.790   1.9115   23.518   1.5141 -2.728344 2.438493 
1 1 1   28    4    8 o   15.705   1.5536   33.662   6.4677   41.640   9.9142   27.750   8.5337   17.367   2.1730   14.091   2.3366 3.275840 3.190850 
1 1 1   28    4    9 o   25.038   1.0893   84.466   7.3257   90.954   11.259   79.703   9.6469   25.879   1.6281   24.242   1.4888 1.636860 2.206189 
1 1 1   28    4   10 o   42.605   0.9709  244.426   11.111  235.139   16.958  251.412   14.707   41.708   1.5138   43.169   1.2684 -1.460674 1.974967 
1 1 1   28    4   11 o   33.098   0.9484  147.505   8.4309  154.975   12.734  141.676   11.249   33.874   1.3996   32.402   1.2926 1.472561 1.905226 
1 1 1   28    4   12 o   46.182   0.8510  287.039   10.556  276.497   15.720  295.698   14.246   45.263   1.2931   46.835   1.1325 -1.572189 1.718891 
1 1 1   28    4   13 o   48.820   0.8360  320.761   10.962  320.974   16.488  320.593   14.676   48.771   1.2587   48.767   1.1205 0.4772186E-02 1.685139 
1 1 1   28    4   14 o   34.037   0.9663  156.036   8.8336  155.240   13.508  156.631   11.676   33.884   1.4843   34.066   1.2761 -0.1815414 1.957438 
1 1 1   28    4   15 o   46.879   0.9180  295.916   11.559  279.333   17.335  309.192   15.510   45.463   1.4196   47.873   1.2063 -2.410191 1.862912 
1 1 1   28    4   16 o   75.275   0.8893  762.895   17.979  778.572   26.902  750.240   24.170   75.929   1.3191   74.568   1.2068 1.360428 1.787840 
1 1 1   28    4   17 o   34.583   0.9607  161.104   8.9232  153.101   13.117  167.998   12.175   33.648   1.4513   35.273   1.2850 -1.625179 1.938493 
1 1 1   28    4   18 f   33.504   0.9781  151.232   8.8021  145.193   13.256  155.995   11.772   32.755   1.5067   33.987   1.2896 -1.231243 1.983221 
1 1 1   28    4   19 f   24.487   1.1778   80.911   7.7460   81.161   11.530   80.705   10.457   24.388   1.7723   24.354   1.6077 0.3492546E-01 2.392874 
1 1 1   28    4   20 o   26.750   1.1146   96.528   8.0080   99.979   11.912   93.682   10.817   27.105   1.6439   26.256   1.5406 0.8493900 2.253016 
1 1 1   28    4   21 o   10.903   2.5892   16.996   7.4694   25.793   12.828   12.484   9.1873   13.315   3.5298   9.5903   3.1157 3.724805 4.708196 
1 1 1   28    4   22 o   50.571   0.9302  344.608   12.635  352.152   17.941  337.184   17.797   51.039   1.3088   49.937   1.3269 1.101044 1.863724 
1 1 1   28    4   23 o   48.864   1.0505  322.095   13.788  326.433   23.939  319.941   16.866   48.975   1.8199   48.646   1.2908 0.3292542 2.231188 
1 1 1   28    4   24 o   32.464   1.0932  142.258   9.5323  149.419   15.355  137.768   12.159   33.102   1.7330   31.893   1.4194 1.208960 2.240150 
1 1 1   28    4   25 o   6.0530   2.6238  -0.7693   7.8826   0.8786   11.852  -2.0764   10.555   7.6774   3.2706   6.8044   2.9910 0.8730211 4.432059 
1 1 1   28    4   26 o   15.203   1.9304   32.062   7.7047   36.664   11.735   28.575   10.215   16.010   2.8326   14.103   2.7954 1.906676 3.979688 
1 1 1   28    4   27 o   32.154   1.0123  139.551   8.7425  147.256   12.676  132.560   12.074   32.947   1.4324   31.258   1.4381 1.688421 2.029747 
1 1 1   28    4   28 o   31.607   1.0332  134.895   8.7714  122.461   12.365  147.490   12.445   29.977   1.5409   32.973   1.4052 -2.996155 2.085422 
1 1 1   28    4   29 o   38.324   0.9321  198.153   9.5944  191.719   13.295  205.144   13.859   37.612   1.3161   38.904   1.3264 -1.291809 1.868502 
1 1 1   28    4   30 o   30.723   1.0352  127.498   8.5422  130.749   11.809  123.928   12.372   31.035   1.4166   30.150   1.5328 0.8852539 2.087208 
1 1 1   28    4   31 o   11.533   2.7143   19.282   8.2679   13.289   11.258   26.298   12.181   9.9778   3.4510   13.330   3.3934 -3.352522 4.839903 
1 1 1   28    4   32 o   37.542   1.0924  190.526   11.015  191.200   15.460  189.830   15.698   37.489   1.5354   37.346   1.5650 0.1439209 2.192420 
1 1 1   28    4   33 o   10.783   2.7901   16.890   8.1426   14.414   11.262   19.602   11.787   10.247   3.4536   11.593   3.4952 -1.346549 4.913688 
1 1 1   28    4   34 o   29.144   1.2824  115.144   10.038  112.773   14.973  117.079   13.528   28.601   1.9610   29.227   1.7311 -0.6260624 2.615737 
1 1 1   28    4   35 o   17.353   1.9482   41.846   8.9236   44.460   12.550   39.173   12.691   17.621   2.7409   16.425   2.9866 1.195690 4.053671 
1 1 1   28    4   36 o   29.925   1.1843  121.354   9.5190  137.091   12.426   98.996   14.810   31.733   1.4578   26.706   2.0811 5.027529 2.540950 
1 1 1   28    4   37 o   17.734   1.6574   43.401   7.8029   48.051   11.003   38.698   11.067   18.462   2.2666   16.419   2.5957 2.043196 3.446037 
1 1 1   28    4   38 f   25.991   1.2258   91.785   8.5572   95.353   11.907   87.973   12.306   26.302   1.6945   25.206   1.8302 1.096502 2.494177 
1 1 1   28    4   39 o   15.963   2.1218   36.117   8.8720   27.873   12.430   44.679   12.667   13.478   3.4262   17.477   2.7924 -3.998766 4.419998 
1 1 1   28    4   40 o   34.329   1.1823  160.452   10.901  179.777   15.281  140.420   15.557   36.147   1.5739   31.765   1.8312 4.382084 2.414614 
1 1 1   28    4   41 o   12.681   2.7931   24.222   9.2562   23.060   12.909   25.450   13.279   12.064   3.6625   12.631   3.6857 -0.5669241 5.195997 
1 1 1   28    4   42 o   13.828   2.6236   28.577   9.3878   34.043   13.408   23.319   13.149   14.623   3.4666   12.016   3.7055 2.606630 5.074224 
1 1 1   28    4   43 o   5.0452   2.4274 -12.3354   9.6778 -29.0316   15.398  -1.4333   12.443   5.6221   2.7791   7.1313   3.1846 -1.509183 4.226737 
1 1 1   28    4   44 o   19.744   2.5600   58.310   13.256   51.669   18.737   64.965   18.757   17.239   4.1055   19.888   3.6458 -2.648790 5.490592 
1 1 1   28    5  -37 o   9.4538   3.4919   11.399   11.723   7.1952   16.363   15.831   16.803   9.5192   3.9343   10.993   4.1559 -1.473872 5.722806 
1 1 1   28    5  -36 o   10.879   3.6239   17.081   12.400   15.836   16.922   18.526   18.224   11.084   4.1753   11.701   4.3475 -0.6167345 6.027739 
1 1 1   28    5  -35 o   11.107   3.5694   17.937   12.081   18.370   17.386   17.533   16.800   11.653   4.2607   11.437   4.1873 0.2153444 5.973839 
1 1 1   28    5  -34 o   5.6066   2.5401  -4.0686   8.2409   8.7144   11.532 -17.4069   11.780   8.9490   3.4286   5.4775   2.6461 3.471490 4.330968 
1 1 1   28    5  -33 o   21.188   1.6806   61.673   9.4856   62.116   13.588   61.252   13.248   21.003   2.4550   20.873   2.4072 0.1299858 3.438205 
1 1 1   28    5  -32 o   9.5926   2.9642   13.061   8.4091   12.258   11.927   13.854   11.857   9.8138   3.5380   10.170   3.5402 -0.3557911 5.005077 
1 1 1   28    5  -31 o   23.734   1.5413   76.982   9.7720   80.502   13.769   73.410   13.871   24.079   2.1517   22.939   2.2815 1.140310 3.136103 
1 1 1   28    5  -30 f   35.805   1.1772  173.519   11.320  168.401   16.147  178.467   15.875   35.120   1.7118   36.181   1.6336 -1.060852 2.366212 
1 1 1   28    5  -29 o   24.857   2.0543   85.473   13.592   98.014   19.517   73.661   18.941   26.312   2.8049   22.590   3.2122 3.721733 4.264450 
1 1 1   28    5  -28 o   19.936   1.8537   54.827   9.8123   51.286   12.782   59.908   15.311   19.048   2.5635   20.494   2.8594 -1.445883 3.840286 
1 1 1   28    5  -27 o   22.332   1.5582   68.169   9.2879   66.756   13.096   69.599   13.175   21.889   2.2600   22.368   2.2223 -0.4787121 3.169558 
1 1 1   28    5  -26 o   26.670   1.5622   97.056   11.142   86.737   13.765  116.664   18.975   25.057   2.0636   28.923   2.4661 -3.865414 3.215603 
1 1 1   28    5  -25 o   6.8447   2.8379   2.1200   8.5527   2.5988   12.109   1.6434   12.082   8.0071   3.3530   7.8431   3.3201 0.1640377 4.718657 
1 1 1   28    5  -24 o   59.705   1.1753  481.915   18.848  509.214   32.929  468.614   22.985   60.986   2.0102   58.772   1.4561 2.214233 2.482191 
1 1 1   28    5  -23 f   37.026   1.3151  185.565   13.078  198.406   18.586  172.972   18.406   38.150   1.8139   35.535   1.9358 2.615429 2.652780 
1 1 1   28    5  -22 o   55.768   1.0200  419.571   15.279  424.229   21.799  415.073   21.421   55.948   1.4506   55.344   1.4411 0.6037788 2.044736 
1 1 1   28    5  -21 o   23.475   1.4476   74.928   9.0826   66.035   13.320   82.655   12.417   21.820   2.3078   24.555   1.8975 -2.734941 2.987711 
1 1 1   28    5  -20 o   67.818   1.0801  620.553   19.674  622.485   26.680  618.250   29.128   67.791   1.4653   67.501   1.6066 0.2892761 2.174446 
1 1 1   28    5  -19 o   40.593   1.0562  222.247   11.516  220.427   16.266  224.077   16.305   40.338   1.5013   40.673   1.4925 -0.3347015 2.116984 
1 1 1   28    5  -18 o   12.224   2.5086   21.249   7.9603   13.639   11.479   28.300   11.049   10.192   3.4865   14.027   3.0217 -3.835574 4.613743 
1 1 1   28    5  -17 o   27.228   1.3876  100.511   10.114   98.668   16.158  101.698   12.969   26.766   2.2690   27.306   1.7780 -0.5405827 2.882653 
1 1 1   28    5  -16 o   34.946   1.1767  164.807   11.044  154.799   16.974  172.154   14.544   33.690   1.8834   35.658   1.5185 -1.968826 2.419315 
1 1 1   28    5  -15 o   40.955   1.0226  226.072   11.249  225.052   16.016  227.064   15.803   40.786   1.4620   40.973   1.4360 -0.1872787 2.049258 
1 1 1   28    5  -14 o   43.884   1.0096  259.523   11.900  258.361   16.893  260.667   16.766   43.708   1.4390   43.907   1.4217 -0.1983337 2.022853 
1 1 1   28    5  -13 o   30.144   1.3905  122.813   11.258  139.566   13.969   91.766   19.016   32.056   1.6278   25.667   2.8040 6.389465 3.242214 
1 1 1   28    5  -12 o   16.869   1.0944   38.525   4.9320   43.304   6.5759   32.380   7.4567   17.849   1.3825   15.335   1.8475 2.513180 2.307511 
1 1 1   28    5  -11 o   30.043   0.9608  121.573   7.7528  121.379   10.548  121.801   11.434   29.981   1.3099   30.019   1.4181 -0.3794289E-01 1.930479 
1 1 1   28    5  -10 o   35.991   0.7933  174.304   7.6683  181.495   10.618  166.467   11.086   36.695   1.0774   35.131   1.1749 1.564152 1.594065 
1 1 1   28    5   -9 o   35.597   0.7748  170.495   7.4081  165.781   10.469  175.222   10.484   35.067   1.1116   36.055   1.0826 -0.9882545 1.551632 
1 1 1   28    5   -8 o   38.108   0.8030  195.415   8.2195  191.817   12.389  198.244   10.986   37.706   1.2233   38.354   1.0664 -0.6475983 1.622846 
1 1 1   28    5   -7 o   57.448   0.7555  443.981   11.658  441.848   16.521  446.097   16.452   57.259   1.0742   57.536   1.0646 -0.2764397 1.512391 
1 1 1   28    5   -6 o   31.367   0.8366  132.413   7.0481  144.718   10.210  121.212   9.7416   32.761   1.1603   29.977   1.2099 2.783772 1.676368 
1 1 1   28    5   -5 o   21.604   1.0965   63.066   6.3419   82.234   9.8294   49.397   8.3006   24.620   1.4935   19.034   1.6396 5.585461 2.217892 
1 1 1   28    5   -4 o   81.090   0.9219  885.283   20.080  876.915   28.395  893.652   28.399   80.603   1.3116   81.372   1.2994 -0.7693634 1.846243 
1 1 1   28    5   -3 o   56.474   0.8445  429.207   12.809  456.911   20.956  412.681   16.185   58.176   1.3411   55.338   1.0889 2.838100 1.727532 
1 1 1   28    5   -2 o   39.166   0.9753  206.581   10.259  195.407   13.744  220.642   15.418   38.045   1.3450   40.415   1.4203 -2.369907 1.956124 
1 1 1   28    5   -1 o   11.557   2.0842   18.699   6.2313   14.663   9.4145   21.847   8.3129   10.269   3.1300   12.415   2.5773 -2.146204 4.054543 
1 1 1   28    5    0 o   27.202   1.0675   99.699   7.7991   99.081   12.553  100.088   9.9535   26.989   1.7409   27.227   1.3611 -0.2376251 2.209812 
1 1 1   28    5    1 o   20.607   1.2515   57.496   6.8944   52.998   9.6689   62.149   9.8335   19.684   1.8506   21.352   1.7295 -1.668041 2.532969 
1 1 1   28    5    2 o   18.305   1.3634   45.487   6.6553   48.038   10.005   43.461   8.9135   18.697   2.0246   17.800   1.8935 0.8968353 2.772083 
1 1 1   28    5    3 o   26.867   0.9991   97.225   7.2102  106.534   9.9334   86.858   10.482   28.094   1.3164   25.296   1.5502 2.797779 2.033754 
1 1 1   28    5    4 o   17.547   1.4113   41.853   6.5951   28.166   9.7381   53.451   8.9638   14.116   2.6662   19.795   1.7026 -5.678730 3.163425 
1 1 1   28    5    5 o   22.324   1.1572   67.371   6.9148   68.434   10.116   66.439   9.4740   22.416   1.6926   22.101   1.6070 0.3158073 2.333948 
1 1 1   28    5    6 o   15.306   1.5958   32.040   6.4643   34.636   9.7372   29.994   8.6440   15.760   2.3739   14.668   2.2671 1.092072 3.282587 
1 1 1   28    5    7 o   26.335   1.0398   93.444   7.3549   92.748   10.850   94.036   10.004   26.139   1.5525   26.343   1.4191 -0.2044449 2.103316 
1 1 1   28    5    8 o   26.948   0.9839   97.816   7.1212   87.045   9.9251  109.243   10.223   25.334   1.4649   28.443   1.3382 -3.108881 1.984117 
1 1 1   28    5    9 o   4.5652   2.1401  -6.6549   6.6113  -7.9827   11.200  -5.9448   8.1906   6.2771   2.8879   5.3731   2.4711 0.9039984 3.800857 
1 1 1   28    5   10 o   54.760   0.8854  403.703   13.023  406.426   18.357  400.944   18.478   54.877   1.2454   54.503   1.2622 0.3749428 1.773236 
1 1 1   28    5   11 o   27.756   1.0557  103.833   7.8701   89.435   11.852  115.188   10.526   25.626   1.7322   29.202   1.3419 -3.576637 2.191157 
1 1 1   28    5   12 o   15.061   1.6934   31.126   6.7315   23.551   10.159   37.055   8.9880   12.808   3.0049   16.367   2.0925 -3.558793 3.661640 
1 1 1   28    5   13 o   18.776   1.4503   47.954   7.2573   43.944   11.124   50.927   9.5762   17.771   2.3911   19.274   1.8735 -1.502541 3.037707 
1 1 1   28    5   14 o   5.4390   2.3946  -1.7351   6.7885  -5.9436   10.776   1.0343   8.7411   6.3710   2.8935   6.7394   2.8369 -0.3684063 4.052176 
1 1 1   28    5   15 o   24.407   1.2277   80.616   8.0228   95.506   12.943   71.325   10.224   26.453   1.8329   22.876   1.6757 3.577826 2.483406 
1 1 1   28    5   16 o   29.564   1.0867  117.866   8.6286  112.457   13.531  121.574   11.202   28.728   1.7621   29.985   1.3909 -1.257343 2.244880 
1 1 1   28    5   17 o   32.779   1.0374  144.857   9.1338  149.110   14.643  142.149   11.686   33.159   1.6441   32.428   1.3417 0.7305260 2.122075 
1 1 1   28    5   18 o   31.051   1.0887  130.054   9.0794  141.698   14.719  122.903   11.536   32.264   1.7046   30.137   1.4251 2.126642 2.221797 
1 1 1   28    5   19 o   40.855   0.9655  224.970   10.595  199.229   16.656  242.462   13.730   38.323   1.6182   42.371   1.2065 -4.048504 2.018415 
1 1 1   28    5   20 o   30.587   1.0931  126.248   8.9802  121.572   14.025  129.497   11.691   29.853   1.7569   30.930   1.4073 -1.076666 2.251019 
1 1 1   28    5   21 o   21.938   1.6346   65.706   9.5627   71.480   15.713   62.309   12.051   22.605   2.6377   21.236   2.1422 1.369158 3.397947 
1 1 1   28    5   22 o   21.361   1.4155   62.076   8.0750   58.662   12.563   64.479   10.541   20.540   2.3178   21.681   1.8271 -1.141191 2.951384 
1 1 1   28    5   23 f   21.934   1.3695   65.413   8.0281   59.767   12.385   69.505   10.543   20.741   2.2598   22.526   1.7565 -1.784906 2.862120 
1 1 1   28    5   24 o   8.2239   2.7887   8.8587   7.3431   14.283   11.167   4.7261   9.7468   10.247   3.4391   7.7543   3.0979 2.492814 4.628665 
1 1 1   28    5   25 o   17.442   1.6712   41.794   7.7335   38.226   11.245   44.996   10.653   16.400   2.6426   17.945   2.2603 -1.544500 3.477389 
1 1 1   28    5   26 o   29.411   1.1069  116.907   8.7439  120.444   12.818  113.829   11.958   29.704   1.6127   28.894   1.5465 0.8104267 2.234335 
1 1 1   28    5   27 o   17.613   1.5329   42.495   7.1793   41.126   9.8229   44.066   10.519   17.154   2.1813   17.741   2.2587 -0.5872421 3.139987 
1 1 1   28    5   28 o   18.494   1.5649   46.872   7.7007   37.965   10.032   59.649   12.015   16.418   2.3414   20.695   2.1951 -4.277403 3.209403 
1 1 1   28    5   29 o   43.875   0.9443  259.818   11.128  257.555   14.675  262.880   17.071   43.601   1.2531   43.986   1.4449 -0.3852196 1.912624 
1 1 1   28    5   30 f   4.9082   2.3150  -8.4226   7.9462  -0.4895   10.975 -17.1625   11.520   7.1468   3.0970   5.4210   2.6183 1.725843 4.055426 
1 1 1   28    5   31 o   11.384   2.6269   18.762   7.8688   10.502   10.104   31.495   12.544   9.1157   3.2596   14.614   3.2768 -5.497941 4.621899 
1 1 1   28    5   32 o   8.7817   2.8961   10.523   7.9272   13.111   10.486   7.0729   12.109   9.8179   3.3325   8.7720   3.4692 1.045912 4.810526 
1 1 1   28    5   33 o   26.905   1.2197   98.080   8.8136  105.984   12.321   89.796   12.613   27.817   1.6565   25.534   1.8518 2.283575 2.484568 
1 1 1   28    5   34 o   22.209   1.4744   67.436   8.7452   73.385   12.904   62.383   11.893   22.964   2.1159   21.157   2.1214 1.807390 2.996266 
1 1 1   28    5   35 o   11.342   2.6648   18.779   7.9803   14.214   11.576   22.914   11.016   10.162   3.5002   12.396   3.2638 -2.234139 4.785810 
1 1 1   28    5   36 o   19.200   1.6826   50.903   8.5897   56.804   12.742   45.988   11.629   20.012   2.4197   17.957   2.4771 2.054583 3.462857 
1 1 1   28    5   37 o   60.284   0.9446  491.634   15.295  482.116   22.435  499.898   20.905   59.436   1.4054   60.602   1.2843 -1.166050 1.903850 
1 1 1   28    5   38 o   11.164   2.9078   18.689   8.8056   20.259   12.469   17.127   12.437   11.522   3.6176   10.769   3.6294 0.7526150 5.124433 
1 1 1   28    5   39 o   30.815   1.2762  129.671   10.562  133.066   14.930  126.269   14.944   30.913   1.8061   30.078   1.8589 0.8340778 2.591814 
1 1 1   28    5   40 o   22.571   1.8203   71.445   10.941   84.273   17.404   63.062   14.069   23.901   2.7620   20.764   2.5782 3.136602 3.778375 
1 1 1   28    5   41 o   16.826   2.2781   41.141   10.031   41.925   14.279   40.377   14.095   16.302   3.3724   15.978   3.3893 0.3239288 4.781229 
1 1 1   28    5   42 o   8.2734   3.1214   8.9826   9.4664   7.6278   13.936   10.143   12.899   8.7504   3.6249   9.0232   3.5768 -0.2728081 5.092439 
1 1 1   28    5   43 o   10.392   3.3344   17.422   10.546   9.6978   14.800   25.390   15.032   9.1098   3.7510   12.088   3.9881 -2.978689 5.474945 
1 1 1   28    6  -36 o   29.726   1.8766  122.769   14.907  110.735   20.421  136.496   21.809   27.679   2.7846   30.847   2.6583 -3.167675 3.849760 
1 1 1   28    6  -35 o   10.655   3.5693   16.387   12.028   30.363   17.146   2.8448   16.877   13.905   4.2209   9.0402   3.8783 4.864504 5.732090 
1 1 1   28    6  -34 o   22.760   2.2151   72.629   13.370   79.878   18.849   65.287   18.968   23.450   3.0660   20.936   3.4965 2.514084 4.650332 
1 1 1   28    6  -33 o   15.387   2.2403   33.475   8.9870   32.441   12.799   34.479   12.622   14.753   3.3113   15.270   3.1806 -0.5172100 4.591413 
1 1 1   28    6  -32 o   18.377   1.8567   46.779   9.0385   54.003   13.221   40.441   12.384   19.495   2.5890   16.726   2.8594 2.769098 3.857297 
1 1 1   28    6  -31 o   13.433   2.5021   25.875   8.6951   33.490   12.144   17.864   12.455   15.117   3.0952   11.160   3.6278 3.956375 4.768790 
1 1 1   28    6  -30 f   24.933   1.4469   84.794   9.6476   88.234   13.677   81.387   13.611   25.248   2.0341   24.214   2.1140 1.034584 2.933693 
1 1 1   28    6  -29 o   13.536   2.5213   26.260   8.8295   37.214   12.639   15.817   12.340   15.983   3.0554   10.678   3.6151 5.304921 4.733359 
1 1 1   28    6  -28 o   11.233   3.0987   18.472   9.6529   13.112   16.798   21.115   11.795   10.735   4.1319   11.965   3.4685 -1.229975 5.394740 
1 1 1   28    6  -27 f   28.810   1.5557  113.340   11.993  113.396   14.573  113.224   21.113   28.701   1.9012   28.274   2.8177 0.4266853 3.399110 
1 1 1   28    6  -26 o   13.613   3.0044   27.079   10.691   43.880   14.798   8.7364   15.462   17.304   3.3045   9.7774   3.9033 7.526736 5.114241 
1 1 1   28    6  -25 o   18.019   2.1111   45.239   10.024   39.937   12.561   54.536   16.632   16.646   2.9157   19.344   3.3209 -2.697784 4.419216 
1 1 1   28    6  -24 o   19.648   1.9500   53.389   10.155   42.051   12.424   76.208   17.625   17.145   2.7940   23.149   2.8982 -6.003597 4.025705 
1 1 1   28    6  -23 o   21.704   2.0676   65.210   11.908   50.160   25.062   69.598   13.533   17.878   5.0155   22.357   2.2858 -4.478970 5.511786 
1 1 1   28    6  -22 o   27.251   1.4993  101.140   10.931  102.891   18.532  100.206   13.537   27.125   2.5746   27.018   1.8771 0.1072598 3.186206 
1 1 1   28    6  -21 o   40.894   1.0621  225.790   11.666  227.691   16.934  224.072   16.095   40.945   1.5398   40.637   1.4746 0.3078957 2.131978 
1 1 1   28    6  -20 o   73.102   1.0428  721.213   20.475  727.114   29.177  715.489   28.739   73.215   1.4837   72.633   1.4732 0.5825272 2.090820 
1 1 1   28    6  -19 o   49.260   1.0139  327.345   13.415  332.075   19.303  322.927   18.656   49.499   1.4519   48.821   1.4227 0.6776619 2.032751 
1 1 1   28    6  -18 o   10.665   2.6873   16.336   7.6944   15.690   11.118   16.929   10.660   10.632   3.4249   10.921   3.3310 -0.2886419 4.777594 
1 1 1   28    6  -17 o   17.470   1.8416   41.992   8.5111   45.348   12.102   38.708   11.972   17.965   2.5823   16.509   2.8000 1.456779 3.808976 
1 1 1   28    6  -16 o   21.180   1.6152   61.210   9.1194   55.219   14.102   65.516   11.956   19.821   2.7206   21.811   2.0654 -1.990038 3.415760 
1 1 1   28    6  -15 o   30.593   1.3533  126.577   11.120  136.169   20.645  122.657   13.198   31.386   2.4689   30.022   1.6429 1.363813 2.965619 
1 1 1   28    6  -14 o   41.771   1.0374  235.272   11.639  239.289   16.670  231.452   16.257   42.040   1.4763   41.348   1.4638 0.6913834 2.079020 
1 1 1   28    6  -13 o   19.040   1.1204   49.077   5.7043   47.321   6.5118   54.872   11.826   18.668   1.3070   19.910   2.2511 -1.241680 2.602979 
1 1 1   28    6  -12 o   63.281   0.7601  538.903   12.920  548.352   18.371  529.657   18.173   63.768   1.0726   62.669   1.0797 1.098122 1.521902 
1 1 1   28    6  -11 f   46.655   0.7382  292.885   9.2506  289.334   12.999  296.528   13.167   46.327   1.0447   46.899   1.0453 -0.5722694 1.477840 
1 1 1   28    6  -10 o   21.603   1.1009   63.102   6.3666   62.835   8.3229   63.478   9.8846   21.504   1.4494   21.563   1.7210 -0.5891037E-01 2.250061 
1 1 1   28    6   -9 o   26.803   1.1216   96.900   8.0747  107.387   10.302   80.190   13.003   28.188   1.3607   24.186   2.0202 4.002344 2.435704 
1 1 1   28    6   -8 o   26.437   1.0583   94.216   7.5149   98.410   9.3466   86.546   12.638   26.994   1.2891   25.166   1.8834 1.827377 2.282336 
1 1 1   28    6   -7 o   34.012   0.8444  155.731   7.7135  151.592   10.502  160.579   11.366   33.521   1.1665   34.491   1.2269 -0.9709167 1.692914 
1 1 1   28    6   -6 o   23.896   0.9801   76.934   6.2909   67.850   9.1205   85.179   8.6886   22.339   1.5293   25.081   1.2942 -2.742563 2.003379 
1 1 1   28    6   -5 o   41.720   0.7817  234.225   8.7595  234.150   12.438  234.300   12.338   41.670   1.1113   41.685   1.1020 -0.1478195E-01 1.565044 
1 1 1   28    6   -4 o   20.096   1.1804   54.672   6.3434   50.724   9.4445   57.916   8.5622   19.241   1.8504   20.627   1.5569 -1.386591 2.418238 
1 1 1   28    6   -3 f   22.651   1.2526   69.463   7.5912   67.781   10.675   71.184   10.797   22.277   1.7994   22.839   1.7740 -0.5611420 2.526907 
1 1 1   28    6   -2 o   37.648   0.8271  190.774   8.3632  194.752   11.879  186.865   11.776   37.997   1.1640   37.218   1.1780 0.7793236 1.656086 
1 1 1   28    6   -1 o   18.360   1.3725   45.798   6.7193   39.747   9.0041   53.404   10.094   16.977   2.0138   19.731   1.9294 -2.753712 2.788906 
1 1 1   28    6    0 o   19.478   1.2444   51.411   6.4762   52.116   9.2235   50.725   9.0954   19.521   1.7787   19.256   1.7787 0.2643528 2.515427 
1 1 1   28    6    1 o   31.532   0.9340  133.906   7.9103  131.379   11.577  136.120   10.834   31.180   1.3824   31.753   1.2703 -0.5730019 1.877372 
1 1 1   28    6    2 o   27.538   1.0688  102.219   7.9048   92.017   11.594  111.081   10.806   26.006   1.6686   28.668   1.4034 -2.662096 2.180332 
1 1 1   28    6    3 f   25.843   1.1179   90.059   7.7597   87.152   10.191   94.069   11.970   25.337   1.5043   26.288   1.7045 -0.9505348 2.273380 
1 1 1   28    6    4 o   32.174   0.9342  139.420   8.0735  139.117   11.949  139.675   10.951   32.084   1.3866   32.165   1.2676 -0.8096313E-01 1.878728 
1 1 1   28    6    5 o   40.466   0.8602  220.455   9.3497  216.027   13.658  224.359   12.826   40.000   1.2713   40.781   1.1710 -0.7805595 1.728386 
1 1 1   28    6    6 o   11.528   2.2520   18.749   6.7227   19.987   10.173   17.789   8.9575   11.799   3.1507   11.149   2.9467 0.6496105 4.313978 
1 1 1   28    6    7 o   29.901   1.0322  120.505   8.2898  130.759   12.905  113.300   10.817   31.078   1.5460   28.951   1.3910 2.126970 2.079669 
1 1 1   28    6    8 o   13.135   2.1614   24.127   7.3600   19.395   12.790   26.469   8.9992   11.746   3.6600   13.683   2.5423 -1.936446 4.456341 
1 1 1   28    6    9 o   59.233   0.8828  472.452   14.045  481.211   19.687  463.373   20.043   59.705   1.2277   58.576   1.2740 1.128685 1.769218 
1 1 1   28    6   10 o   17.174   1.5030   40.220   6.8631   23.772   9.6947   56.744   9.7172   12.879   2.8754   20.365   1.7949 -7.485947 3.389569 
1 1 1   28    6   11 f   37.775   0.9563  192.253   9.7029  216.203   15.498  176.813   12.444   39.976   1.4434   36.180   1.2805 3.796291 1.929501 
1 1 1   28    6   12 o   32.713   1.0235  144.257   8.9932  152.550   14.219  138.728   11.610   33.553   1.5777   32.035   1.3494 1.517838 2.076065 
1 1 1   28    6   13 o   10.032   2.6635   14.356   7.2969   9.0566   11.652   17.776   9.3596   9.1851   3.4636   11.135   3.0429 -1.949813 4.610357 
1 1 1   28    6   14 o   21.528   1.3529   62.911   7.7833   70.949   12.178   57.359   10.120   22.727   2.0159   20.453   1.8626 2.274178 2.744678 
1 1 1   28    6   15 o   47.240   0.8825  300.599   11.198  306.163   16.991  296.326   14.889   47.585   1.3294   46.847   1.1833 0.7377930 1.779742 
1 1 1   28    6   16 o   26.158   1.1521   92.373   8.0942   94.414   12.108   90.725   10.883   26.306   1.7232   25.818   1.5770 0.4881516 2.335886 
1 1 1   28    6   17 o   17.230   1.6216   40.642   7.4166   61.162   11.098   24.084   9.9696   21.084   1.9831   12.923   2.9386 8.160507 3.545192 
1 1 1   28    6   18 o   53.147   0.9158  380.669   13.073  370.832   18.771  389.936   18.219   52.352   1.3349   53.704   1.2631 -1.352539 1.837752 
1 1 1   28    6   19 o   12.827   2.1989   23.158   7.3030   9.9336   10.800   34.297   9.9127   9.1710   3.3574   15.606   2.4452 -6.434657 4.153461 
1 1 1   28    6   20 o   27.366   1.3478  101.408   9.9069   96.797   14.861  105.096   13.291   26.503   2.1050   27.716   1.7950 -1.213642 2.766454 
1 1 1   28    6   21 o   25.021   1.2354   84.690   8.3028   78.571   12.380   89.693   11.193   23.899   1.9455   25.631   1.6345 -1.732063 2.540967 
1 1 1   28    6   22 o   45.024   0.9252  273.400   11.188  269.614   16.478  276.638   15.239   44.596   1.3757   45.209   1.2550 -0.6126289 1.862154 
1 1 1   28    6   23 o   31.272   1.1820  132.284   9.9278  136.701   14.239  128.105   13.849   31.630   1.6821   30.614   1.6908 1.016031 2.385014 
1 1 1   28    6   24 o   14.035   2.2601   27.802   8.2302   39.089   11.231   14.709   12.096   16.582   2.6077   10.424   3.5787 6.157614 4.427990 
1 1 1   28    6   25 o   25.867   1.2322   90.618   8.5613   99.815   12.712   82.983   11.582   26.976   1.7642   24.586   1.7656 2.389938 2.495940 
1 1 1   28    6   26 o   16.891   1.7924   39.426   8.0074   36.389   11.606   42.184   11.062   15.898   2.8213   17.277   2.4526 -1.378722 3.738283 
1 1 1   28    6   27 f   23.122   1.4653   72.969   9.0534   77.032   12.369   68.281   13.287   23.611   1.9684   22.117   2.2689 1.494198 3.003709 
1 1 1   28    6   28 o   5.9370   2.5671  -0.4566   7.5081  -5.6527   9.5789   7.8211   12.090   5.9092   2.7008   8.9098   3.4840 -3.000640 4.408285 
1 1 1   28    6   29 o   4.8424   2.2908  -8.7421   7.8886 -22.2498   10.727   7.1667   11.641   4.7583   2.3460   8.6802   3.4115 -3.921858 4.140255 
1 1 1   28    6   30 f   16.731   1.6987   38.608   7.5277   34.501   10.396   43.136   10.915   15.541   2.5810   17.484   2.3865 -1.943418 3.515293 
1 1 1   28    6   31 o   15.535   1.8233   33.487   7.4633   45.264   10.428   21.118   10.686   17.972   2.2066   11.956   3.2448 6.015931 3.923971 
1 1 1   28    6   32 o   24.539   1.4234   82.168   9.3411   89.251   12.557   73.389   13.978   25.442   1.8501   22.891   2.3048 2.551216 2.955518 
1 1 1   28    6   33 o   32.752   1.0621  145.149   9.3429  130.816   12.790  161.546   13.681   30.966   1.5378   34.431   1.4793 -3.465513 2.133811 
1 1 1   28    6   34 o   45.011   0.9762  273.946   11.801  287.970   17.271  261.662   16.163   45.984   1.3984   43.844   1.3726 2.139637 1.959409 
1 1 1   28    6   35 o   29.018   1.1515  114.267   8.9750  109.817   12.336  119.272   13.081   28.257   1.6324   29.439   1.6612 -1.182735 2.329005 
1 1 1   28    6   36 o   10.230   2.7336   15.497   7.6545   7.4006   10.539   24.534   11.135   8.3527   3.2566   12.706   3.2499 -4.353191 4.600774 
1 1 1   28    6   37 o   18.126   2.2628   46.930   10.777   45.303   18.178   47.813   13.381   16.766   4.0762   17.989   2.8656 -1.222992 4.982714 
1 1 1   28    6   38 o   9.7976   3.1657   14.310   9.4931   17.467   14.431   11.901   12.605   10.847   3.8936   9.5269   3.6000 1.319904 5.302875 
1 1 1   28    6   39 o   36.397   1.3897  182.097   13.586  149.099   21.788  203.089   17.378   31.990   2.5571   38.225   1.6926 -6.235020 3.066573 
1 1 1   28    6   40 o   17.593   2.3027   45.130   10.620   47.057   16.192   43.675   14.068   17.026   3.6504   16.683   3.2565 0.3431911 4.891908 
1 1 1   28    6   41 o   24.468   1.9776   85.590   12.886   96.253   16.857   70.602   19.986   25.517   2.4914   20.713   3.7297 4.804110 4.485300 
1 1 1   28    6   42 o   12.131   3.7526   25.310   13.473   12.152   19.483   37.367   18.651   9.9453   4.2134   14.137   4.4222 -4.191329 6.108077 
1 1 1   28    7  -35 o   7.1204   3.2774  -7.6438   14.447 -20.6270   16.859   28.240   28.027   6.6645   3.2058   13.562   5.3042 -6.897041 6.197724 
1 1 1   28    7  -34 o   8.6474   3.4042   7.6904   11.609   10.483   16.029   4.6082   16.838   9.9523   3.9738   9.2236   3.9128 0.7286987 5.576834 
1 1 1   28    7  -33 o   30.855   1.8083  131.500   14.921  138.119   21.506  125.358   20.718   31.178   2.5916   29.672   2.6267 1.505941 3.689978 
1 1 1   28    7  -32 o   9.5555   3.1908   12.748   9.6118   10.030   15.364   14.496   12.321   9.8663   3.9059   10.287   3.6071 -0.4203138 5.316744 
1 1 1   28    7  -31 o   12.065   2.8016   21.335   8.9047   25.368   12.482   17.154   12.708   12.987   3.4994   10.965   3.6688 2.022237 5.070066 
1 1 1   28    7  -30 o   31.460   1.2771  134.312   10.791  113.595   14.952  156.840   15.591   28.672   1.9531   33.811   1.7225 -5.139151 2.604175 
1 1 1   28    7  -29 o   33.151   1.4941  149.641   13.304  150.150   18.890  149.140   18.740   32.902   2.1493   32.796   2.1391 0.1064262 3.032398 
1 1 1   28    7  -28 f   29.936   1.2918  121.586   10.387  123.688   14.554  119.402   14.829   29.995   1.8150   29.442   1.8852 0.5527897 2.616889 
1 1 1   28    7  -27 o   19.468   2.1296   52.867   10.954   61.528   18.624   48.286   13.544   20.418   3.5233   18.333   2.8427 2.085396 4.527047 
1 1 1   28    7  -26 f   26.745   1.4670   97.591   10.498   86.022   14.489  110.376   15.232   24.862   2.1923   28.255   2.0204 -3.392939 2.981257 
1 1 1   28    7  -25 o   36.972   1.3511  185.572   13.416  182.426   16.134  192.622   24.155   36.563   1.6429   37.149   2.4342 -0.5865135 2.936794 
1 1 1   28    7  -24 o   33.629   1.1975  153.152   10.816  169.908   15.430  136.964   15.166   35.296   1.6277   31.590   1.7949 3.706127 2.423005 
1 1 1   28    7  -23 o   21.579   1.9002   64.292   10.901   74.759   13.343   43.280   18.904   23.190   2.1673   16.812   4.1990 6.378119 4.725295 
1 1 1   28    7  -22 o   38.008   1.1273  195.389   11.509  196.873   16.219  193.884   16.333   38.021   1.5882   37.723   1.6120 0.2976875 2.262963 
1 1 1   28    7  -21 o   13.599   2.4416   26.342   8.5905   25.282   12.628   27.256   11.721   13.060   3.5201   13.607   3.2514 -0.5472641 4.791992 
1 1 1   28    7  -20 o   33.962   1.3155  156.301   12.000  142.752   19.811  164.153   15.081   32.080   2.3147   34.725   1.6170 -2.644817 2.823555 
1 1 1   28    7  -19 o   23.566   1.4498   75.643   9.1319   85.785   13.369   66.772   12.503   24.945   2.0125   21.947   2.1486 2.998098 2.943925 
1 1 1   28    7  -18 o   36.156   1.1136  176.613   10.815  172.908   15.598  180.043   15.008   35.654   1.6288   36.408   1.5347 -0.7540016 2.237909 
1 1 1   28    7  -17 o   16.638   1.9093   38.272   8.3778   33.256   12.111   42.874   11.601   15.159   3.0797   17.439   2.5524 -2.280084 3.999908 
1 1 1   28    7  -16 o   19.477   1.6322   51.902   8.4599   55.316   12.459   48.981   11.524   19.914   2.3763   18.734   2.3413 1.179987 3.335956 
1 1 1   28    7  -15 o   20.591   1.5901   57.898   8.7259   58.167   12.654   57.654   12.049   20.443   2.3471   20.384   2.2375 0.5919647E-01 3.242714 
1 1 1   28    7  -14 o   22.613   1.6680   69.844   10.059   40.575   18.738   81.692   11.922   16.466   4.2181   24.425   1.8307 -7.958878 4.598227 
1 1 1   28    7  -13 o   36.506   0.8974  179.569   8.7993  184.996   11.075  170.280   14.490   37.020   1.1138   35.439   1.5223 1.581364 1.886280 
1 1 1   28    7  -12 o   33.507   0.8403  151.208   7.5622  145.304   11.413  155.828   10.097   32.782   1.2962   33.980   1.1063 -1.197632 1.704116 
1 1 1   28    7  -11 f   31.888   0.8644  136.967   7.4039  134.992   9.7503  139.656   11.379   31.622   1.1480   32.137   1.3183 -0.5149612 1.748043 
1 1 1   28    7  -10 o   12.313   1.6059   20.902   5.1847   22.067   7.2812   19.704   7.3845   12.516   2.2486   11.775   2.4158 0.7406559 3.300363 
1 1 1   28    7   -9 o   37.825   0.8248  192.641   8.3793  192.825   11.262  192.414   12.541   37.803   1.1091   37.741   1.2372 0.6199646E-01 1.661580 
1 1 1   28    7   -8 o   27.813   0.9757  104.257   7.2888  101.032   9.5939  108.659   11.209   27.340   1.3065   28.290   1.4804 -0.9497166 1.974429 
1 1 1   28    7   -7 o   11.202   1.9042   17.536   5.5243   19.966   7.7702   15.052   7.8556   11.839   2.5208   10.267   2.7802 1.572084 3.752882 
1 1 1   28    7   -6 o   19.164   1.2159   49.788   6.2262   58.052   8.9221   41.943   8.6926   20.629   1.6234   17.461   1.8833 3.167694 2.486420 
1 1 1   28    7   -5 o   27.067   0.9917   98.743   7.2093   84.417   9.8027  115.620   10.640   24.930   1.4705   29.243   1.3546 -4.312897 1.999292 
1 1 1   28    7   -4 f   7.1113   2.6375   5.4910   6.7014  -0.1081   9.4352   11.191   9.5198   6.7648   2.9009   9.2882   3.1751 -2.523391 4.300747 
1 1 1   28    7   -3 o   25.142   1.2723   85.605   8.5638   89.195   10.390   77.998   15.125   25.621   1.5166   23.738   2.4054 1.883234 2.843603 
1 1 1   28    7   -2 o   20.699   1.2367   58.063   6.8442   56.370   9.1302   60.234   10.341   20.315   1.6886   20.969   1.8552 -0.6539536 2.508595 
1 1 1   28    7   -1 o   24.948   1.1011   83.955   7.3786   87.949   9.8935   78.950   11.076   25.453   1.4532   24.057   1.7256 1.396057 2.255992 
1 1 1   28    7    0 o   38.333   0.9425  197.971   9.7034  196.773   13.524  199.242   13.931   38.158   1.3195   38.391   1.3510 -0.2328377 1.888459 
1 1 1   28    7    1 o   15.365   1.5804   32.320   6.4293   27.092   8.8697   38.109   9.3328   13.855   2.4742   16.577   2.1465 -2.721990 3.275563 
1 1 1   28    7    2 o   33.851   0.8874  154.328   8.0687  159.732   11.447  148.993   11.375   34.392   1.2392   33.211   1.2752 1.181610 1.778133 
1 1 1   28    7    3 o   27.296   0.9959  100.424   7.3017  109.367   10.357   91.586   10.296   28.442   1.3557   25.970   1.4822 2.472588 2.008675 
1 1 1   28    7    4 f   29.654   1.0326  118.553   8.2245  121.537   12.373  116.191   11.009   29.914   1.5452   29.310   1.3984 0.6045170 2.084030 
1 1 1   28    7    5 o   42.521   0.9217  243.566   10.527  256.857   14.676  229.484   15.107   43.608   1.2530   41.197   1.3653 2.411163 1.853147 
1 1 1   28    7    6 o   16.347   1.5640   36.534   6.7833   31.719   9.4081   41.748   9.7895   15.031   2.4118   17.359   2.1452 -2.327921 3.227844 
1 1 1   28    7    7 o   36.548   0.9792  180.030   9.6124  193.823   15.684  171.732   12.165   37.822   1.5439   35.652   1.2704 2.169594 1.999379 
1 1 1   28    7    8 o   7.4726   2.6963   6.5393   6.9297   5.4771   9.5830   7.7035   10.032   7.9087   3.0992   8.5220   3.2138 -0.6132674 4.464744 
1 1 1   28    7    9 o   25.137   1.1441   85.281   7.7244   89.168   11.305   81.878   10.579   25.582   1.6542   24.518   1.6155 1.064211 2.312166 
1 1 1   28    7   10 o   28.335   1.0710  108.305   8.1508  105.461   12.006  110.737   11.101   27.837   1.6126   28.562   1.4518 -0.7253761 2.169902 
1 1 1   28    7   11 f   38.614   0.8724  200.841   9.0476  201.490   12.702  200.173   12.890   38.620   1.2245   38.489   1.2469 0.1306305 1.747658 
1 1 1   28    7   12 o   50.293   0.8777  340.748   11.856  344.808   16.733  336.654   16.802   50.516   1.2333   49.910   1.2534 0.6058311 1.758393 
1 1 1   28    7   13 o   9.3738   2.4850   12.530   6.3580   12.755   8.7900   12.283   9.2078   9.6045   3.0402   9.5188   3.1204 0.8561039E-01 4.356615 
1 1 1   28    7   14 o   18.227   1.5379   45.373   7.4585   50.249   11.356   41.674   9.8910   19.011   2.2687   17.316   2.1747 1.695814 3.142688 
1 1 1   28    7   15 o   35.296   1.0551  168.116   10.003  157.199   13.826  180.103   14.489   34.044   1.5121   36.447   1.4800 -2.403332 2.115862 
1 1 1   28    7   16 o   21.414   1.6671   62.712   9.5126   59.141   13.872   65.882   13.070   20.537   2.5711   21.789   2.2664 -1.252571 3.427426 
1 1 1   28    7   17 o   30.306   1.1374  124.090   9.2582  129.926   13.020  118.120   13.167   30.888   1.5746   29.420   1.6732 1.467129 2.297632 
1 1 1   28    7   18 o   54.407   0.9924  399.418   14.502  409.694   19.527  386.780   21.654   55.001   1.3218   53.373   1.5106 1.628555 2.007208 
1 1 1   28    7   19 o   18.661   1.9752   48.183   9.7499   72.359   13.870   24.568   13.708   22.806   2.2955   12.907   3.7387 9.899487 4.387148 
1 1 1   28    7   20 o   16.483   1.9164   37.658   8.3262   41.762   11.272   32.728   12.352   17.189   2.5159   14.969   3.1709 2.220336 4.047776 
1 1 1   28    7   21 o   36.597   1.0666  180.980   10.484  175.222   14.565  187.173   15.105   35.900   1.5105   37.102   1.5157 -1.202492 2.139842 
1 1 1   28    7   22 o   19.799   1.6601   53.809   8.7463   45.410   12.211   62.657   12.533   17.882   2.6202   21.198   2.2350 -3.316605 3.443894 
1 1 1   28    7   23 o   22.945   1.4869   71.890   9.1143   82.935   12.230   58.092   13.669   24.538   1.8696   20.275   2.5676 4.262978 3.176186 
1 1 1   28    7   24 o   34.332   1.0441  159.305   9.6281  149.286   13.941  168.440   13.313   33.103   1.5680   35.211   1.4076 -2.108170 2.107163 
1 1 1   28    7   25 o   35.990   1.0275  175.050   9.9326  183.613   14.746  167.937   13.439   36.732   1.4946   35.150   1.4234 1.581440 2.063996 
1 1 1   28    7   26 f   6.6007   2.6748   2.9251   7.3795  -0.9575   10.856   6.2604   10.062   7.0231   3.0615   8.1145   3.1769 -1.091450 4.411922 
1 1 1   28    7   27 o   38.922   0.9976  204.685   10.429  212.841   15.467  197.885   14.123   39.556   1.4558   38.166   1.3777 1.389709 2.004318 
1 1 1   28    7   28 f   13.125   2.4682   24.697   8.3815   30.121   13.812   21.535   10.545   14.156   3.6188   12.073   3.2003 2.083580 4.830862 
1 1 1   28    7   29 o   22.763   1.3229   70.577   8.0533   71.526   11.012   69.486   11.808   22.777   1.8150   22.392   1.9839 0.3852921 2.688847 
1 1 1   28    7   30 o   13.145   2.1922   24.500   7.4670   17.421   10.362   32.147   10.770   10.916   3.2740   14.891   2.7954 -3.974611 4.305042 
1 1 1   28    7   31 o   25.350   1.2755   87.461   8.6566   92.047   12.140   82.716   12.348   25.856   1.7585   24.456   1.8946 1.400326 2.584921 
1 1 1   28    7   32 o   33.442   1.1274  151.565   10.127  151.917   13.302  151.080   15.619   33.371   1.4841   33.130   1.7615 0.2405891 2.303393 
1 1 1   28    7   33 o   15.141   1.9938   32.222   7.9107   34.505   10.991   29.768   11.395   15.386   2.7611   14.138   3.0873 1.247688 4.141876 
1 1 1   28    7   34 o   28.532   1.2400  110.751   9.5024  102.500   13.706  118.387   13.186   27.158   1.8908   29.296   1.6828 -2.137907 2.531220 
1 1 1   28    7   35 o   15.804   1.9441   35.200   8.0785   32.881   11.260   37.659   11.597   14.848   2.9274   15.976   2.8050 -1.128114 4.054360 
1 1 1   28    7   36 o   10.243   3.1064   15.834   9.2898   6.2808   13.249   25.071   13.029   8.6210   3.5493   12.599   3.6435 -3.977756 5.086546 
1 1 1   28    7   37 o   12.094   2.8071   22.179   8.9427   17.427   12.572   27.046   12.723   10.678   3.6488   13.025   3.5430 -2.346850 5.085881 
1 1 1   28    7   38 o   22.277   1.9028   70.208   11.276   79.454   14.480   55.961   17.974   23.418   2.3331   18.604   3.7269 4.814762 4.396978 
1 1 1   28    7   39 o   9.9015   3.3468   15.187   10.576   6.9836   14.837   23.662   15.081   8.8015   3.6999   11.863   3.9966 -3.061481 5.446276 
1 1 1   28    7   40 o   17.363   2.7384   46.005   12.348   23.196   20.209   59.591   15.597   11.621   4.5155   19.510   3.0786 -7.888399 5.465104 
1 1 1   28    7   41 o   10.106   3.8625   16.240   14.614   22.867   17.836   2.7060   25.490   11.360   4.2850   9.5652   4.3844 1.795165 6.130569 
1 1 1   28    8  -33 o   13.724   3.4381   29.061   12.647   6.0424   17.777   52.651   17.996   9.5361   4.0315   18.379   3.7719 -8.843372 5.520905 
1 1 1   28    8  -32 o   23.753   2.6686   81.129   16.731   92.080   32.972   77.331   19.416   23.166   5.3989   22.828   3.2592 0.3384209 6.306415 
1 1 1   28    8  -31 o   15.806   2.5809   36.049   10.579   43.261   17.887   32.169   13.119   16.628   4.0440   14.573   3.4119 2.054973 5.290966 
1 1 1   28    8  -30 o   19.489   1.8407   52.693   9.5212   59.613   13.267   45.345   13.672   20.496   2.4592   17.609   2.9980 2.886450 3.877572 
1 1 1   28    8  -29 o   21.800   1.7035   65.468   9.8953   65.951   13.897   64.971   14.093   21.603   2.4377   21.414   2.4972 0.1884575 3.489740 
1 1 1   28    8  -28 o   36.898   1.1933  184.567   11.826  200.927   17.103  169.581   16.369   38.331   1.6612   35.187   1.7320 3.144226 2.399929 
1 1 1   28    8  -27 o   21.821   1.5925   65.321   9.2695   65.618   13.100   65.024   13.118   21.633   2.2893   21.529   2.3044 0.1046886 3.248250 
1 1 1   28    8  -26 o   17.913   2.1441   44.921   10.111   37.133   15.939   50.165   13.080   15.631   3.8273   18.744   2.6738 -3.113631 4.668746 
1 1 1   28    8  -25 o   50.488   1.1259  345.064   15.268  319.838   22.992  364.965   20.421   48.325   1.7714   51.779   1.4683 -3.454510 2.300806 
1 1 1   28    8  -24 o   19.313   1.8257   51.561   9.3579   65.689   13.231   37.418   13.237   21.646   2.3115   15.944   3.2023 5.701982 3.949378 
1 1 1   28    8  -23 o   19.952   2.0043   55.297   10.596   55.655   12.698   54.475   19.227   19.865   2.4305   18.986   3.9007 0.8788738 4.595986 
1 1 1   28    8  -22 o   45.726   1.2045  283.289   14.793  297.307   18.331  257.116   25.048   46.747   1.4600   43.088   2.1713 3.659184 2.616519 
1 1 1   28    8  -21 o   25.811   1.3856   90.751   9.5705   89.474   13.415   92.075   13.657   25.443   1.9787   25.810   1.9853 -0.3667088 2.802988 
1 1 1   28    8  -20 o   24.206   1.4520   79.939   9.3971   85.633   13.444   74.501   13.140   24.876   2.0299   23.154   2.1369 1.721462 2.947364 
1 1 1   28    8  -19 o   64.119   1.0299  555.477   17.736  535.520   24.934  575.915   25.233   62.756   1.4793   65.099   1.4431 -2.343250 2.066611 
1 1 1   28    8  -18 o   8.2843   3.1131   7.6182   9.3968   3.0726   16.584   9.7679   11.404   9.1681   3.8859   9.1888   3.4342 -0.2074146E-01 5.185887 
1 1 1   28    8  -17 o   11.362   2.9433   18.809   9.0546   21.356   15.224   17.415   11.263   12.198   4.0130   11.017   3.4349 1.180362 5.282305 
1 1 1   28    8  -16 o   37.528   1.0927  190.306   11.014  178.036   15.968  201.444   15.213   36.157   1.6442   38.514   1.4706 -2.357029 2.205946 
1 1 1   28    8  -15 o   32.922   1.1303  146.490   9.9951  140.583   14.446  151.915   13.843   32.085   1.6822   33.434   1.5416 -1.349232 2.281704 
1 1 1   28    8  -14 o   29.257   0.9193  115.424   7.2237  111.485   8.6083  124.801   13.281   28.725   1.1157   30.244   1.6411 -1.518457 1.984479 
1 1 1   28    8  -13 o   24.020   1.0900   77.920   7.0326   80.421   8.6485   73.039   12.082   24.334   1.3282   23.030   1.9723 1.304289 2.377884 
1 1 1   28    8  -12 o   29.351   0.8797  116.105   6.9352  118.042   9.9556  114.279   9.6665   29.540   1.2548   29.068   1.2381 0.4717960 1.762765 
1 1 1   28    8  -11 o   27.737   0.8836  103.684   6.5827   98.231   9.1569  109.516   9.4698   26.948   1.2651   28.458   1.2389 -1.510075 1.770705 
1 1 1   28    8  -10 o   29.535   0.9346  117.600   7.4138  127.525   11.430  110.393   9.7408   30.685   1.3868   28.569   1.2694 2.115881 1.880094 
1 1 1   28    8   -9 o   32.437   0.8641  141.760   7.5283  141.051   10.279  142.580   11.057   32.310   1.1844   32.470   1.2678 -0.1603661 1.735009 
1 1 1   28    8   -8 o   11.993   1.7729   19.980   5.5389   16.382   7.7926   23.654   7.8744   10.676   2.7122   12.931   2.3539 -2.255356 3.591277 
1 1 1   28    8   -7 o   45.679   0.8189  281.008   10.048  284.366   13.554  276.911   14.970   45.899   1.0994   45.264   1.2314 0.6349106 1.650760 
1 1 1   28    8   -6 o   32.289   0.9326  140.519   8.0878  138.405   10.695  143.344   12.361   32.000   1.2444   32.535   1.4145 -0.5354233 1.883929 
1 1 1   28    8   -5 o   33.196   0.9525  148.548   8.4925  155.298   12.740  143.149   11.393   33.869   1.4005   32.534   1.3038 1.334297 1.913435 
1 1 1   28    8   -4 o   22.536   1.1949   68.796   7.2069   70.228   9.5501   66.901   10.984   22.699   1.5762   22.086   1.8691 0.6131363 2.444967 
1 1 1   28    8   -3 o   15.948   1.4575   34.731   6.1743   31.772   8.8266   37.566   8.6399   15.072   2.2493   16.478   1.9926 -1.406479 3.004930 
1 1 1   28    8   -2 o   32.693   0.9638  144.085   8.4636  149.013   12.043  139.276   11.897   33.188   1.3510   32.080   1.3808 1.107864 1.931778 
1 1 1   28    8   -1 o   66.310   0.8495  592.222   15.130  593.979   22.348  590.735   20.558   66.294   1.2551   66.144   1.1572 0.1498184 1.707160 
1 1 1   28    8    0 o   35.082   0.9113  165.839   8.5866  181.008   11.804  148.792   12.513   36.606   1.2006   33.153   1.4052 3.452702 1.848276 
1 1 1   28    8    1 o   15.771   1.7880   34.252   7.4402   37.948   9.6133   28.731   11.749   16.506   2.2252   14.080   3.1817 2.425549 3.882600 
1 1 1   28    8    2 o   8.7165   2.5830   10.650   6.4782   12.971   8.6147   7.6296   9.8277   9.6536   3.0030   8.4456   3.1818 1.208022 4.375145 
1 1 1   28    8    3 o   12.326   2.0497   21.278   6.5475   23.470   8.6015   18.259   10.096   12.831   2.5853   11.269   3.1910 1.561274 4.106834 
1 1 1   28    8    4 o   28.848   1.0257  112.244   7.9472  121.764   10.657  100.316   11.929   30.004   1.3224   27.133   1.6446 2.871136 2.110313 
1 1 1   28    8    5 o   8.2555   2.5788   9.3650   6.3453  -2.1837   8.3119   25.496   9.8234   5.9792   2.6401   13.323   2.8323 -7.344099 3.872006 
1 1 1   28    8    6 o   49.337   0.9012  328.003   11.942  313.655   16.728  342.914   17.053   48.160   1.2932   50.365   1.2606 -2.204865 1.805984 
1 1 1   28    8    7 o   18.897   1.6351   48.848   8.2173   47.979   10.422   50.276   13.360   18.612   2.1227   18.884   2.7120 -0.2720642 3.443952 
1 1 1   28    8    8 o   8.8020   2.7898   10.640   7.3996   14.551   9.8821   5.6489   11.164   10.212   3.2226   8.3424   3.3210 1.869278 4.627535 
1 1 1   28    8    9 o   27.790   1.1710  104.336   8.7403   96.354   11.796  114.053   13.015   26.577   1.6608   28.917   1.6830 -2.340561 2.364464 
1 1 1   28    8   10 o   11.939   2.3588   20.255   7.2955   16.467   10.158   24.291   10.485   10.753   3.2453   12.937   3.0646 -2.183768 4.463653 
1 1 1   28    8   11 o   21.531   1.4928   63.174   8.5798   73.707   11.885   51.711   12.399   23.158   1.9283   19.219   2.4582 3.938349 3.124252 
1 1 1   28    8   12 o   12.133   2.2125   20.807   6.9447   20.921   9.0875   20.646   10.767   12.027   2.8558   11.912   3.2672 0.1146479 4.339388 
1 1 1   28    8   13 o   13.528   2.0200   25.566   7.1147   20.374   9.0747   33.848   11.461   11.859   2.8781   15.351   2.8858 -3.491899 4.075690 
1 1 1   28    8   14 o   9.8347   2.6312   13.892   7.0866   20.658   9.2287   4.1705   11.063   11.931   2.9067   8.0055   3.2634 3.925488 4.370165 
1 1 1   28    8   15 o   12.948   2.3811   23.828   7.9758   14.428   11.036   34.105   11.540   10.256   3.4188   15.390   2.8980 -5.133986 4.481822 
1 1 1   28    8   16 o   37.789   0.9741  192.718   9.8872  200.604   14.514  185.890   13.506   38.452   1.4053   37.027   1.3580 1.424664 1.954256 
1 1 1   28    8   17 o   26.836   1.2808   97.569   9.2319   88.837   14.937  102.967   11.744   25.297   2.2208   27.457   1.5994 -2.159895 2.736802 
1 1 1   28    8   18 o   24.894   1.3562   84.314   9.0336   80.992   12.620   87.805   12.936   24.228   1.9561   25.243   1.9224 -1.015512 2.742650 
1 1 1   28    8   19 o   25.808   1.2236   90.217   8.4819   96.067   12.597   85.365   11.472   26.449   1.7837   24.945   1.7228 1.504660 2.479814 
1 1 1   28    8   20 o   19.965   1.4948   54.520   7.9574   49.926   11.679   58.501   10.871   18.844   2.3593   20.543   1.9954 -1.699041 3.089965 
1 1 1   28    8   21 o   14.314   2.1166   28.811   7.8924   18.588   11.824   37.026   10.599   11.308   3.5183   16.126   2.5305 -4.817911 4.333772 
1 1 1   28    8   22 o   24.440   1.3051   81.276   8.5364   78.125   12.428   84.091   11.746   23.765   1.9647   24.724   1.7807 -0.9593220 2.651539 
1 1 1   28    8   23 o   27.120   1.2278   99.701   8.9436  108.113   13.169   92.500   12.185   28.054   1.7566   25.940   1.7592 2.113596 2.486037 
1 1 1   28    8   24 o   26.475   1.2441   95.045   8.8468   84.380   12.787  104.837   12.253   24.704   1.9427   27.655   1.6572 -2.951200 2.553528 
1 1 1   28    8   25 o   6.0159   2.5937  -0.2187   7.6195   1.4347   11.131  -1.6766   10.452   7.4814   3.1779   6.7732   2.9768 0.7082005 4.354384 
1 1 1   28    8   26 o   32.476   1.0941  142.722   9.5435  142.750   13.857  142.697   13.163   32.342   1.5951   32.362   1.5144 -0.1943207E-01 2.199488 
1 1 1   28    8   27 o   21.851   1.5772   65.470   9.1945   71.511   14.986   61.822   11.644   22.495   2.5238   21.068   2.0851 1.427231 3.273649 
1 1 1   28    8   28 o   5.1048   2.3636  -5.9030   7.6778 -13.6563   11.259   0.8367   10.497   5.6162   2.6795   7.1811   3.0690 -1.564886 4.074179 
1 1 1   28    8   29 o   12.433   2.4953   22.335   8.0429   17.704   11.889   26.243   10.921   11.032   3.5404   13.299   3.1127 -2.267111 4.714111 
1 1 1   28    8   30 o   18.368   1.8699   46.902   9.0966   48.993   15.170   45.728   11.367   18.212   3.2190   17.934   2.4218 0.2787151 4.028257 
1 1 1   28    8   31 o   6.4835   2.7034   1.9011   7.8238 -18.0187   11.255   20.524   10.883   5.2206   2.5371   11.690   3.3140 -6.469103 4.173685 
1 1 1   28    8   32 o   25.464   1.4023   88.779   9.5540   92.968   12.613   83.142   14.633   25.890   1.8256   24.266   2.2716 1.623917 2.914250 
1 1 1   28    8   33 o   6.4349   2.6883   1.9474   7.7584  -8.6625   10.768   13.399   11.188   5.8894   2.7513   9.7806   3.4369 -3.891176 4.402457 
1 1 1   28    8   34 o   7.8910   2.9225   7.7152   8.2224   6.9667   10.639   8.8254   12.957   8.2164   3.2511   9.0238   3.5823 -0.8073444 4.837628 
1 1 1   28    8   35 o   15.653   2.4984   35.921   10.151   23.717   12.864   56.057   16.524   12.203   3.6452   19.063   3.3495 -6.859200 4.950453 
1 1 1   28    8   36 o   16.017   2.1944   37.088   9.1919   41.693   12.859   32.275   13.145   16.519   3.0089   14.210   3.4733 2.309733 4.595403 
1 1 1   28    8   37 o   12.406   3.0930   24.233   10.271   42.662   15.647   10.282   13.614   16.117   3.6936   9.1728   3.6624 6.944424 5.201517 
1 1 1   28    8   38 o   6.5287   2.9613  -3.1598   11.241   3.8468   14.558 -13.5035   17.689   8.2445   3.5697   7.1458   3.3949 1.098694 4.926316 
1 1 1   28    8   39 o   16.090   3.3117   42.121   13.834   43.314   20.083   41.043   19.085   15.051   4.5680   14.770   4.4463 0.2807360 6.374639 
1 1 1   28    8   40 o   13.380   3.5839   30.903   13.139   30.812   18.036   31.006   19.178   12.671   4.3688   12.607   4.4926 0.6362820E-01 6.266517 
1 1 1   28    9  -32 o   8.9648   3.6525   7.5638   13.848   4.9509   18.013   11.340   21.655   9.3572   4.0102   10.726   4.4870 -1.368611 6.017939 
1 1 1   28    9  -31 o   29.020   1.8254  117.037   14.156  118.788   20.929  115.560   19.218   28.639   2.7548   28.392   2.5472 0.2462158 3.751960 
1 1 1   28    9  -30 f   10.894   3.5164   17.621   11.716   4.2459   16.831   30.194   16.318   9.1677   3.9013   13.816   4.1007 -4.648396 5.660023 
1 1 1   28    9  -29 o   18.667   2.1732   49.125   10.692   66.067   18.704   40.902   13.031   21.019   3.4315   16.648   3.0256 4.371164 4.574814 
1 1 1   28    9  -28 o   52.445   1.0687  372.534   15.053  392.501   21.851  354.496   20.768   53.601   1.5177   50.940   1.5179 2.661179 2.146533 
1 1 1   28    9  -27 o   23.932   1.5463   78.538   9.8862   92.511   14.319   65.809   13.666   25.772   2.0864   21.582   2.3981 4.190262 3.178714 
1 1 1   28    9  -26 o   40.919   1.1021  226.741   12.113  224.123   17.235  229.297   17.027   40.504   1.5843   40.985   1.5468 -0.4811020 2.214160 
1 1 1   28    9  -25 o   38.895   1.1571  204.992   12.088  215.706   17.602  195.428   16.630   39.716   1.6500   37.808   1.6376 1.907749 2.324733 
1 1 1   28    9  -24 o   13.081   2.9716   25.184   10.203   27.958   17.612   23.783   12.517   13.549   4.3050   12.593   3.5486 0.9562025 5.579052 
1 1 1   28    9  -23 o   15.485   2.2303   33.861   9.0084   29.329   12.959   38.099   12.531   13.976   3.4685   16.154   2.9986 -2.178238 4.585023 
1 1 1   28    9  -22 o   39.880   1.1375  215.394   12.185  214.960   17.269  215.823   17.195   39.668   1.6208   39.752   1.6105 -0.8383942E-01 2.284837 
1 1 1   28    9  -21 o   38.960   1.5060  206.841   15.759  205.484   16.651  218.500   48.800   38.796   1.5980   37.253   5.0037 1.543339 5.252627 
1 1 1   28    9  -20 o   26.058   1.7858   93.458   12.423   95.713   14.214   86.160   25.566   26.280   2.0295   23.810   4.1485 2.469444 4.618331 
1 1 1   28    9  -19 o   54.989   1.0376  408.840   15.325  399.691   21.381  418.506   21.977   54.186   1.4691   55.443   1.4758 -1.257294 2.082356 
1 1 1   28    9  -18 o   18.249   1.8330   46.086   8.8630   38.607   13.050   52.489   12.075   16.246   3.1038   19.304   2.3794 -3.057684 3.910903 
1 1 1   28    9  -17 o   8.1040   2.9484   7.9186   8.3106   10.306   12.338   5.9362   11.244   9.4466   3.5637   8.3354   3.3282 1.111115 4.876150 
1 1 1   28    9  -16 o   9.4002   2.8582   12.583   7.8575   8.1315   11.532   16.440   10.735   8.8476   3.4185   10.696   3.3564 -1.848813 4.790740 
1 1 1   28    9  -15 o   21.448   1.7240   63.230   9.8479   78.814   17.924   56.493   11.786   23.507   2.9005   20.113   2.2187 3.393843 3.651746 
1 1 1   28    9  -14 o   18.508   1.2861   46.649   6.3537   43.139   7.5959   54.826   11.594   17.722   1.6134   19.819   2.2159 -2.096121 2.741054 
1 1 1   28    9  -13 o   53.074   0.7554  379.480   10.769  376.424   15.307  382.475   15.153   52.773   1.0799   53.202   1.0604 -0.4285011 1.513462 
1 1 1   28    9  -12 o   41.007   0.8683  226.739   9.5633  225.411   13.216  228.199   13.856   40.810   1.2057   41.048   1.2568 -0.2378197 1.741588 
1 1 1   28    9  -11 o   28.845   1.0838  112.424   8.3966  125.457   14.905  106.365   10.163   30.243   1.8437   28.009   1.3509 2.233797 2.285607 
1 1 1   28    9  -10 o   36.685   0.8603  181.415   8.4768  187.597   12.462  176.090   11.565   37.227   1.2463   36.079   1.1934 1.147961 1.725528 
1 1 1   28    9   -9 o   25.059   0.9741   84.730   6.5564   82.260   9.1657   87.319   9.3825   24.591   1.3934   25.341   1.3837 -0.7493782 1.963750 
1 1 1   28    9   -8 o   18.715   1.2000   47.563   6.0004   60.524   8.6872   35.737   8.2979   21.050   1.5473   16.048   1.9663 5.002729 2.502089 
1 1 1   28    9   -7 o   62.772   0.7892  530.773   13.305  514.116   18.560  548.385   19.085   61.685   1.1202   63.709   1.1153 -2.024410 1.580734 
1 1 1   28    9   -6 o   16.611   1.6137   37.859   7.1089   36.738   10.433   38.830   9.7129   16.131   2.4879   16.671   2.2247 -0.5399189 3.337522 
1 1 1   28    9   -5 o   32.411   1.0445  141.806   9.0930  145.368   11.107  134.566   15.833   32.777   1.2617   31.336   1.8900 1.440966 2.272453 
1 1 1   28    9   -4 o   18.695   1.3381   47.566   6.6744   48.347   9.4295   46.782   9.4487   18.724   1.9014   18.405   1.9406 0.3184338 2.716808 
1 1 1   28    9   -3 o   30.750   0.9383  127.511   7.7495  116.199   10.965  138.798   10.953   29.283   1.3942   32.028   1.2733 -2.744982 1.888156 
1 1 1   28    9   -2 o   13.808   1.8279   26.433   6.6128   22.888   9.7239   29.484   9.0196   12.568   2.9340   14.445   2.4096 -1.877390 3.796667 
1 1 1   28    9   -1 o   26.657   1.1108   95.972   7.9529   93.041   10.447  100.012   12.265   26.145   1.4939   27.059   1.6962 -0.9135799 2.260216 
1 1 1   28    9    0 o   30.904   0.9582  128.802   7.9534  127.893   11.201  129.726   11.295   30.729   1.3572   30.948   1.3588 -0.2191410 1.920473 
1 1 1   28    9    1 o   15.838   1.5913   34.412   6.6778   46.143   9.5006   22.958   9.3881   18.273   1.9667   12.607   2.8407 5.666655 3.455020 
1 1 1   28    9    2 o   27.833   1.0483  104.566   7.8365   97.820   10.964  111.612   11.205   26.801   1.5294   28.651   1.4610 -1.849564 2.115027 
1 1 1   28    9    3 o   43.822   0.8373  258.739   9.8556  265.501   14.000  252.096   13.876   44.320   1.1761   43.182   1.1964 1.138222 1.677677 
1 1 1   28    9    4 o   15.497   1.5999   32.974   6.5637   34.302   9.1519   31.568   9.4190   15.651   2.2410   14.950   2.4291 0.7011604 3.304942 
1 1 1   28    9    5 o   29.893   1.0471  120.632   8.4069  124.955   12.560  117.123   11.315   30.293   1.5489   29.389   1.4335 0.9040718 2.110414 
1 1 1   28    9    6 o   24.903   1.1630   83.824   7.7790   82.116   10.219   86.178   11.996   24.537   1.5586   25.078   1.7927 -0.5409946 2.375540 
1 1 1   28    9    7 o   34.929   0.9185  164.515   8.6169  177.555   12.040  150.821   12.338   36.226   1.2374   33.359   1.3771 2.867863 1.851308 
1 1 1   28    9    8 o   8.1935   2.7116   8.9842   6.9470   14.260   10.351   4.6606   9.3708   10.145   3.3077   7.6313   3.0411 2.514008 4.493273 
1 1 1   28    9    9 o   36.844   0.9904  183.204   9.8008  194.182   15.000  175.025   12.947   37.819   1.4767   35.939   1.3412 1.879814 1.994840 
1 1 1   28    9   10 o   20.222   1.5899   55.957   8.5659   56.713   11.756   55.101   12.508   20.190   2.2036   19.835   2.3963 0.3544617 3.255439 
1 1 1   28    9   11 o   27.540   1.2008  102.629   8.8827  105.646   12.104   99.107   13.077   27.810   1.6275   26.874   1.8224 0.9353504 2.443371 
1 1 1   28    9   12 o   37.125   0.9737  186.040   9.7090  172.102   14.016  198.897   13.462   35.593   1.4661   38.308   1.3083 -2.715137 1.965015 
1 1 1   28    9   13 o   26.791   1.1145   97.056   8.0196   91.205   10.700  104.553   12.114   25.845   1.5485   27.652   1.6383 -1.806379 2.254360 
1 1 1   28    9   14 o   33.738   0.9473  153.643   8.5845  153.601   11.771  153.691   12.546   33.658   1.3021   33.646   1.3883 0.1202393E-01 1.903390 
1 1 1   28    9   15 o   22.562   1.2590   69.203   7.5993   63.507   10.212   76.271   11.376   21.478   1.7864   23.542   1.8131 -2.064007 2.545316 
1 1 1   28    9   16 o   17.778   1.6540   43.487   7.8070   50.856   11.275   36.700   10.820   19.056   2.2460   16.031   2.6023 3.025654 3.437517 
1 1 1   28    9   17 o   28.182   1.2380  107.657   9.3708  109.831   12.897  105.225   13.639   28.300   1.7047   27.648   1.8473 0.6518192 2.513607 
1 1 1   28    9   18 o   33.005   1.0644  147.321   9.4360  166.910   14.188  131.783   12.636   35.007   1.5089   31.105   1.5124 3.902092 2.136407 
1 1 1   28    9   19 o   7.4334   2.7565   6.2997   7.3191   12.519   11.076   1.4793   9.7515   9.7209   3.4195   7.0716   2.9875 2.649324 4.540728 
1 1 1   28    9   20 o   37.267   1.0598  187.854   10.608  191.300   16.432  185.392   13.890   37.423   1.6348   36.923   1.4006 0.4995842 2.152742 
1 1 1   28    9   21 o   24.426   1.3344   81.286   8.7213   77.308   12.491   85.070   12.183   23.615   1.9878   24.834   1.8396 -1.218882 2.708378 
1 1 1   28    9   22 o   12.998   2.3268   24.127   7.8249   32.078   11.430   17.113   10.735   14.802   2.9782   10.841   3.3490 3.960336 4.481668 
1 1 1   28    9   23 o   13.843   2.2134   27.156   7.9524   17.677   11.502   35.838   11.007   11.023   3.4765   15.773   2.6950 -4.749712 4.398730 
1 1 1   28    9   24 o   8.8449   2.8982   10.823   7.9433  -3.4458   11.781   22.714   10.755   6.9389   3.0988   12.363   3.2105 -5.423642 4.462064 
1 1 1   28    9   25 o   27.777   1.2267  104.666   9.1519   89.376   13.294  118.438   12.618   25.401   1.9639   29.403   1.6037 -4.002031 2.535515 
1 1 1   28    9   26 o   7.2296   3.0143   2.4774   9.7257  -5.8955   16.379   7.0372   12.087   7.9415   3.5910   8.7042   3.4586 -0.7627268 4.985651 
1 1 1   28    9   27 o   17.601   1.9240   43.164   8.9474   36.814   13.989   47.560   11.640   15.657   3.4219   18.299   2.4282 -2.641793 4.195939 
1 1 1   28    9   28 o   9.7923   2.9108   13.968   8.2174   5.1130   12.172   21.384   11.139   8.3404   3.4141   11.934   3.3421 -3.594049 4.777641 
1 1 1   28    9   29 o   4.5830   2.2001 -10.6785   7.8489 -16.7206   12.420  -6.6608   10.128   5.7102   2.7480   5.9312   2.7351 -0.2210064 3.877180 
1 1 1   28    9   30 f   8.8780   2.9102   11.141   8.0088   9.3431   11.804   12.675   10.902   9.0128   3.4650   9.6151   3.3914 -0.6022434 4.848513 
1 1 1   28    9   31 o   8.0138   2.8941   8.2259   7.9859  -1.4331   11.691   16.677   10.935   7.0921   3.1313   10.575   3.3956 -3.482520 4.619006 
1 1 1   28    9   32 o   12.906   2.8871   25.088   9.7573   28.861   12.289   18.650   16.051   13.635   3.3739   11.247   4.0966 2.388041 5.307112 
1 1 1   28    9   33 o   14.156   2.3574   29.222   8.6479   36.899   12.713   22.610   11.798   15.506   3.1597   11.981   3.4678 3.524737 4.691412 
1 1 1   28    9   34 o   16.946   2.4589   42.129   10.865   44.051   12.674   36.798   21.102   17.091   2.8620   14.363   4.7247 2.728281 5.523926 
1 1 1   28    9   35 o   16.000   2.3205   37.510   9.6813   41.449   12.501   31.607   15.303   16.447   2.9376   13.664   3.9479 2.782500 4.920908 
1 1 1   28    9   36 o   8.7386   3.2971   10.495   10.562   17.466   15.136   3.8782   14.747   10.549   3.9536   8.2973   3.5927 2.251734 5.342155 
1 1 1   28    9   37 o   10.432   3.6932   17.802   12.940   41.738   19.725  -0.2833   17.146   14.847   4.5317   8.1613   3.6837 6.685659 5.839995 
1 1 1   28    9   38 o   25.146   2.1981   92.953   14.697   71.587   20.993  113.490   20.582   20.158   4.0183   26.998   2.8829 -6.839815 4.945505 
1 1 1   28   10  -31 o   10.869   4.1681   16.757   17.053   16.757   17.053   0.0000   0.0000   10.869   4.1681  ?   ?  0.000000 4.168093 
1 1 1   28   10  -30 o   15.320   3.6321   37.047   14.718   50.557   17.729   7.0840   26.403   17.841   3.8153   10.852   4.7512 6.988846 6.093471 
1 1 1   28   10  -29 o   26.647   1.9669   99.370   13.978  104.220   20.172   94.889   19.386   26.715   2.8555   25.459   2.8860 1.256021 4.059913 
1 1 1   28   10  -28 o   9.9851   3.2535   14.523   10.016   4.0148   16.800   20.317   12.475   9.1099   3.8877   11.562   3.6166 -2.452098 5.309811 
1 1 1   28   10  -27 o   15.353   2.6521   34.277   10.541   84.492   18.900   11.606   12.699   24.066   2.9882   9.6427   3.6200 14.42371 4.693954 
1 1 1   28   10  -26 o   9.5734   3.0432   13.176   8.8001   6.7717   12.492   19.485   12.399   8.6938   3.4951   11.429   3.6100 -2.735567 5.024742 
1 1 1   28   10  -25 o   20.162   1.7340   56.199   9.2990   62.095   13.751   51.232   12.623   20.893   2.5002   18.934   2.5466 1.958900 3.568764 
1 1 1   28   10  -24 o   35.468   1.2193  170.751   11.615  165.705   16.872  175.296   16.014   34.672   1.8181   35.772   1.6667 -1.100792 2.466459 
1 1 1   28   10  -23 o   36.877   1.3770  185.064   13.639  161.454   24.262  195.972   16.492   33.727   2.7009   37.852   1.6221 -4.124409 3.150577 
1 1 1   28   10  -22 o   27.117   1.3944  100.332   10.122   94.550   14.812  105.398   13.864   26.047   2.1359   27.620   1.8800 -1.572704 2.845481 
1 1 1   28   10  -21 o   9.4136   3.0694   12.444   8.9133   11.540   13.049   13.235   12.204   9.7734   3.6694   10.008   3.5819 -0.2350569 5.127837 
1 1 1   28   10  -20 o   14.685   2.3743   30.747   9.0453   32.835   13.192   28.894   12.427   14.803   3.3907   13.882   3.3673 0.9209967 4.778647 
1 1 1   28   10  -19 o   6.9258   2.9518   0.9082   9.6625   6.9945   11.792 -11.5303   16.857   8.6348   3.4208   7.5102   3.4862 1.124604 4.884155 
1 1 1   28   10  -18 o   5.2829   2.4956  -9.7968   9.2996 -16.7864   11.573   2.9405   15.623   5.4487   2.6299   8.8510   3.7624 -3.402277 4.590442 
1 1 1   28   10  -17 o   16.149   2.4114   37.074   10.139   43.553   12.710   25.737   16.813   17.365   2.8218   13.067   4.2120 4.298756 5.069847 
1 1 1   28   10  -16 o   43.970   1.0482  261.522   12.379  262.916   17.625  260.163   17.391   43.924   1.4940   43.699   1.4818 0.2254066 2.104177 
1 1 1   28   10  -15 o   29.246   0.9410  115.530   7.3914  107.360   8.8277  134.690   13.519   28.150   1.1676   31.367   1.6101 -3.216923 1.988900 
1 1 1   28   10  -14 o   17.461   1.5074   41.835   7.0003   42.396   8.8004   40.869   11.551   17.469   1.9066   16.901   2.6302 0.5678730 3.248503 
1 1 1   28   10  -13 o   13.916   1.4809   26.649   5.4499   19.262   7.1613   36.814   8.4007   11.575   2.3828   16.251   1.9645 -4.675802 3.088191 
1 1 1   28   10  -12 o   39.809   0.8073  213.690   8.6325  215.557   11.971  211.668   12.460   39.910   1.1168   39.532   1.1735 0.3774529 1.619936 
1 1 1   28   10  -11 o   21.902   1.1576   65.123   6.7858   59.753   9.6280   70.423   9.5655   20.835   1.7363   22.675   1.5805 -1.840305 2.347913 
1 1 1   28   10  -10 o   23.684   1.1993   76.168   7.6043   80.184   11.178   72.709   10.375   24.160   1.7342   23.013   1.6903 1.146318 2.421626 
1 1 1   28   10   -9 f   3.9687   1.8914  -7.0825   5.5784 -12.6861   7.8246  -1.2903   7.9552   4.3948   2.1311   5.9571   2.6081 -1.562378 3.368032 
1 1 1   28   10   -8 o   31.829   0.8936  136.678   7.6394  138.560   10.792  134.788   10.816   31.975   1.2566   31.532   1.2770 0.4429436 1.791603 
1 1 1   28   10   -7 o   21.002   1.2446   59.964   6.9897   65.550   10.853   56.005   9.1366   21.801   1.8717   20.188   1.7009 1.613640 2.529045 
1 1 1   28   10   -6 o   14.801   1.5966   30.172   6.2466   23.835   9.0368   35.971   8.6443   12.840   2.7058   16.057   2.0513 -3.217243 3.395402 
1 1 1   28   10   -5 o   18.390   1.3557   46.121   6.6489   41.966   9.4538   50.187   9.3529   17.359   2.0684   19.067   1.8496 -1.707939 2.774713 
1 1 1   28   10   -4 o   28.061   1.0404  106.378   7.8419  111.340   10.698  100.615   11.529   28.642   1.3906   27.139   1.5886 1.502329 2.111209 
1 1 1   28   10   -3 o   33.435   0.9763  150.910   8.7674  153.147   12.729  148.891   12.093   33.588   1.4110   33.130   1.3590 0.4570541 1.959047 
1 1 1   28   10   -2 o   32.709   0.9587  144.395   8.4224  135.124   11.488  155.170   12.385   31.563   1.3551   33.822   1.3634 -2.258224 1.922213 
1 1 1   28   10   -1 o   10.073   2.4304   14.603   6.5001   12.010   9.5474   16.843   8.8744   9.4316   3.1799   10.771   2.9711 -1.339163 4.351917 
1 1 1   28   10    0 f   21.263   1.2419   61.427   7.0618   69.004   10.124   54.248   9.8550   22.434   1.6927   19.828   1.8726 2.605516 2.524268 
1 1 1   28   10    1 o   21.889   1.2194   65.061   7.1409   64.011   9.9779   66.163   10.224   21.591   1.7352   21.949   1.7488 -0.3582706 2.463589 
1 1 1   28   10    2 o   38.799   0.9351  203.122   9.7442  210.109   12.973  194.078   14.760   39.394   1.2261   37.799   1.4538 1.594589 1.901807 
1 1 1   28   10    3 o   6.7493   2.5665   4.6414   6.4315   8.8327   8.9809   0.2289   9.2147   8.5012   3.0692   6.6968   2.8691 1.804471 4.201430 
1 1 1   28   10    4 o   20.330   1.3672   56.318   7.4219   52.492   11.091   59.421   9.9880   19.412   2.1640   20.775   1.8080 -1.363075 2.819894 
1 1 1   28   10    5 o   21.474   1.3320   62.771   7.6446   72.479   10.124   49.894   11.660   23.002   1.6497   18.855   2.3536 4.146664 2.874162 
1 1 1   28   10    6 o   22.995   1.1918   71.764   7.3357   67.870   10.162   76.000   10.600   22.235   1.7148   23.544   1.6875 -1.309006 2.405865 
1 1 1   28   10    7 o   30.998   0.9822  129.749   8.1776  136.945   11.485  122.351   11.646   31.770   1.3460   30.006   1.4451 1.763922 1.974803 
1 1 1   28   10    8 o   9.4040   2.7644   12.655   7.4456   8.3130   10.344   17.323   10.726   8.6419   3.2623   10.940   3.3422 -2.298224 4.670448 
1 1 1   28   10    9 f   38.535   0.9224  200.420   9.5465  207.159   13.020  192.585   14.040   39.099   1.2398   37.656   1.3881 1.443157 1.861166 
1 1 1   28   10   10 o   32.235   1.0992  140.555   9.5172  132.322   13.567  148.531   13.354   31.103   1.6297   33.033   1.5051 -1.930725 2.218410 
1 1 1   28   10   11 o   24.891   1.3603   84.381   9.0595   81.484   14.253   86.344   11.735   24.180   2.2195   25.065   1.7542 -0.8848419 2.828985 
1 1 1   28   10   12 o   9.2056   2.8923   11.956   7.9688   6.1617   11.017   18.314   11.541   8.3206   3.3032   11.213   3.4739 -2.892090 4.793610 
1 1 1   28   10   13 o   4.4890   2.1237  -7.5614   6.7798  -3.2470   9.0240 -13.1528   10.273   6.0340   2.7021   5.3158   2.5427 0.7181454 3.710333 
1 1 1   28   10   14 o   10.405   2.5790   15.731   7.1711   10.973   9.5242   21.960   10.897   9.1099   3.1728   12.163   3.2665 -3.053068 4.553723 
1 1 1   28   10   15 o   8.8671   2.8022   11.052   7.4698 -12.1079   10.949   31.214   10.216   5.6577   2.6830   14.704   2.6859 -9.046103 3.796396 
1 1 1   28   10   16 o   35.710   1.0151  172.422   9.7366  172.236   12.723  172.685   15.127   35.605   1.3304   35.566   1.5835 0.3905487E-01 2.068180 
1 1 1   28   10   17 o   13.551   2.0721   25.892   7.3019   23.929   9.9458   28.187   10.754   12.746   2.9616   13.848   2.9798 -1.101679 4.201254 
1 1 1   28   10   18 o   60.610   0.8553  495.781   13.924  493.408   19.322  498.346   20.083   60.325   1.1925   60.606   1.2337 -0.2809067 1.715837 
1 1 1   28   10   19 o   41.027   1.0137  227.626   11.171  251.100   17.279  210.771   14.642   42.914   1.4991   39.360   1.3850 3.553391 2.040930 
1 1 1   28   10   20 o   7.3650   2.8241   5.6028   7.8282  -2.7434   11.132   13.767   11.010   6.8208   3.0314   9.9860   3.4146 -3.165177 4.566025 
1 1 1   28   10   21 o   21.208   1.5796   61.761   8.9337   52.922   13.475   68.693   11.933   19.225   2.6826   22.223   2.0213 -2.997860 3.358911 
1 1 1   28   10   22 o   13.610   2.4030   26.539   8.4628   35.179   13.101   20.354   11.086   15.376   3.2728   11.694   3.3548 3.682204 4.686797 
1 1 1   28   10   23 o   24.328   1.4203   80.876   9.2403   78.454   13.782   82.853   12.454   23.683   2.1915   24.458   1.9111 -0.7749462 2.907730 
1 1 1   28   10   24 o   6.9067   2.7895   3.5198   7.9972  -7.4604   11.958   12.403   10.756   6.4771   2.9815   9.6028   3.3702 -3.125751 4.499730 
1 1 1   28   10   25 o   23.153   1.6619   73.829   10.266   58.595   15.367   86.107   13.796   20.082   2.9357   24.841   2.0870 -4.759010 3.601957 
1 1 1   28   10   26 o   22.973   1.4454   72.304   8.8729   72.884   12.830   71.773   12.284   22.811   2.1183   22.669   2.0393 0.1420555 2.940388 
1 1 1   28   10   27 o   10.045   2.8722   14.883   8.1385   29.902   11.650   0.5647   11.374   14.112   3.1530   7.3373   3.1661 6.774712 4.468284 
1 1 1   28   10   28 o   13.881   2.5734   28.119   9.2410   33.431   12.812   22.357   13.342   14.833   3.3008   12.061   3.7348 2.771925 4.984394 
1 1 1   28   10   29 o   17.765   1.9405   44.372   9.1086   60.485   12.477   25.984   13.328   20.601   2.2939   12.881   3.6730 7.719953 4.330476 
1 1 1   28   10   30 o   31.871   1.2138  138.532   10.390  132.995   14.522  144.340   14.872   30.926   1.7555   32.241   1.7237 -1.315369 2.460230 
1 1 1   28   10   31 o   7.0452   2.9132   3.4045   8.9776   29.214   11.927 -30.3368   13.637   13.681   3.2868   5.1133   2.5427 8.567961 4.155482 
1 1 1   28   10   32 o   6.7321   2.8514   2.0457   8.9189   4.5852   11.966  -1.1284   13.378   7.9589   3.3330   7.4567   3.3181 0.5021715 4.703060 
1 1 1   28   10   33 f   14.685   2.6082   32.377   9.9109   37.266   14.466   28.051   13.606   15.098   3.6151   13.008   3.7117 2.089418 5.181301 
1 1 1   28   10   34 o   7.5177   3.1929   3.5663   11.234   11.536   16.438  -3.4183   15.388   9.6560   3.9618   7.5491   3.4398 2.106926 5.246740 
1 1 1   28   10   35 o   11.496   3.7642   22.557   13.400   1.2135   19.878   40.335   18.142   8.7750   3.9630   14.833   4.3022 -6.057568 5.849304 
1 1 1   28   10   36 o   8.8721   3.5829   10.317   13.192 -12.2853   19.003   31.341   18.327   7.3766   3.5088   12.804   4.4045 -5.426978 5.631261 
1 1 1   28   10   37 o   18.347   3.4399   56.617   16.329   8.3880   31.875   73.776   19.013   10.272   4.7768   20.908   3.5100 -10.63568 5.927725 
1 1 1   28   11  -30 o   26.398   3.8977  113.100   26.804  113.100   26.804   0.0000   0.0000   26.398   3.8977  ?   ?  0.000000 3.897683 
1 1 1   28   11  -29 o   14.885   4.2243   37.460   17.673   37.460   17.673   0.0000   0.0000   14.885   4.2243  ?   ?  0.000000 4.224311 
1 1 1   28   11  -28 o   22.311   2.4363   71.866   14.362   78.555   18.183   60.770   23.417   22.921   3.0275   18.836   4.6553 4.084976 5.553172 
1 1 1   28   11  -27 o   10.960   3.1789   18.284   9.9052   6.1692   16.961   24.554   12.202   9.3461   3.9438   12.550   3.4921 -3.204226 5.267692 
1 1 1   28   11  -26 o   44.501   1.2450  269.803   14.881  276.214   25.136  266.344   18.464   44.439   2.1059   44.035   1.5611 0.4043541 2.621471 
1 1 1   28   11  -25 o   24.025   1.7462   79.973   11.191   75.866   19.080   82.127   13.818   22.589   3.2373   24.160   2.1519 -1.571213 3.887284 
1 1 1   28   11  -24 o   17.313   2.2719   42.589   10.310   49.190   16.701   38.526   13.105   17.963   3.5871   16.065   3.1495 1.897152 4.773568 
1 1 1   28   11  -23 o   44.429   1.1112  267.685   13.260  276.039   19.115  259.935   18.410   44.892   1.5853   43.569   1.5732 1.322727 2.233429 
1 1 1   28   11  -22 o   15.297   2.5708   33.765   10.188   24.568   16.381   39.566   13.010   12.708   4.1619   16.367   3.0724 -3.658827 5.173117 
1 1 1   28   11  -21 o   52.624   1.1488  375.555   16.237  348.029   25.344  394.717   21.147   50.251   1.8778   53.787   1.4638 -3.535278 2.380893 
1 1 1   28   11  -20 o   15.624   2.2012   34.526   8.9809   32.402   13.426   36.246   12.082   14.641   3.4676   15.714   2.9715 -1.072891 4.566628 
1 1 1   28   11  -19 o   13.164   2.5199   25.046   8.5852   23.347   12.831   26.424   11.552   12.435   3.6214   13.281   3.2621 -0.8460474 4.874053 
1 1 1   28   11  -18 o   8.3021   3.1353   7.8141   9.5565   9.2175   12.262   5.6430   15.252   9.1497   3.5278   9.1380   3.7893 0.1175690E-01 5.177303 
1 1 1   28   11  -17 f   11.874   2.7605   20.693   8.6372   19.329   12.303   22.019   12.129   11.436   3.5939   12.110   3.5192 -0.6747618 5.030005 
1 1 1   28   11  -16 o   20.121   1.7042   55.863   9.1233   68.741   13.078   43.653   12.734   22.136   2.2300   17.355   2.8292 4.780563 3.602344 
1 1 1   28   11  -15 o   21.897   1.2456   65.302   7.2956   65.767   7.9637   62.874   18.196   21.947   1.3577   20.602   3.4075 1.344696 3.667989 
1 1 1   28   11  -14 o   16.960   1.5643   39.608   7.0458   36.380   7.6693   57.075   17.840   16.185   1.7944   19.550   3.5273 -3.365589 3.957473 
1 1 1   28   11  -13 o   30.705   0.9028  127.334   7.4458  152.904   10.242   98.670   10.844   33.592   1.1351   26.853   1.5096 6.739077 1.888753 
1 1 1   28   11  -12 o   9.5299   2.4615   13.173   6.3450   17.774   8.8708   8.3542   9.0791   10.986   2.9458   8.3438   3.0747 2.642406 4.258097 
1 1 1   28   11  -11 o   23.794   1.0523   76.610   6.7255   80.728   9.0564   71.546   10.043   24.319   1.3923   22.814   1.6500 1.505005 2.158931 
1 1 1   28   11  -10 o   8.2957   2.4323   9.8094   5.7708   9.8109   7.7878   9.8075   8.5938   8.5181   2.8720   8.6409   3.0136 -0.1227818 4.162919 
1 1 1   28   11   -9 o   14.031   1.7172   27.337   6.3365   33.841   8.8902   20.621   9.0337   15.487   2.1990   11.846   2.8696 3.641009 3.615287 
1 1 1   28   11   -8 o   8.2456   2.6319   9.4450   6.5769   7.3360   10.770   10.699   8.3054   8.4848   3.2965   8.8540   2.9660 -0.3691397 4.434369 
1 1 1   28   11   -7 o   21.032   1.2390   60.204   6.9682   63.487   10.405   57.534   9.3831   21.437   1.8245   20.431   1.7261 1.006517 2.511547 
1 1 1   28   11   -6 o   25.727   1.1968   89.715   8.2697   82.321   11.316   98.190   12.115   24.463   1.7335   26.740   1.6956 -2.277473 2.424875 
1 1 1   28   11   -5 o   34.500   0.9684  160.814   8.9735  164.953   13.635  157.652   11.918   34.809   1.4584   34.077   1.3022 0.7323074 1.955132 
1 1 1   28   11   -4 o   27.371   1.1319  101.435   8.3211  101.421   13.712  101.443   10.469   27.109   1.8951   27.268   1.4345 -0.1593075 2.376765 
1 1 1   28   11   -3 o   20.326   1.4405   56.489   7.8132   74.964   11.376   39.992   10.750   23.311   1.8317   16.781   2.4579 6.530401 3.065372 
1 1 1   28   11   -2 o   12.595   2.3117   22.649   7.5320   13.518   9.9495   34.908   11.528   9.8363   3.2446   15.508   2.8734 -5.671703 4.334033 
1 1 1   28   11   -1 o   20.270   1.3898   56.107   7.5208   50.149   10.920   61.483   10.373   18.925   2.1887   21.094   1.8496 -2.168859 2.865527 
1 1 1   28   11    0 o   24.872   1.2256   83.868   8.1877   85.809   11.394   81.796   11.774   24.993   1.7075   24.364   1.8121 0.6285534 2.489873 
1 1 1   28   11    1 o   35.035   0.9241  165.729   8.6959  167.011   12.148  164.382   12.453   35.081   1.2893   34.791   1.3326 0.2896080 1.854252 
1 1 1   28   11    2 o   30.322   1.0003  124.257   8.1469  123.943   11.241  124.605   11.824   30.196   1.3861   30.258   1.4549 -0.6198311E-01 2.009423 
1 1 1   28   11    3 o   11.823   2.5498   20.235   7.8592   15.749   10.830   25.225   11.422   10.498   3.3802   13.025   3.2699 -2.526400 4.702970 
1 1 1   28   11    4 o   15.173   1.9296   32.120   7.6858   30.646   10.222   34.038   11.658   14.561   2.7134   15.278   2.9478 -0.7165327 4.006550 
1 1 1   28   11    5 o   21.951   1.3923   65.771   8.1662   60.205   11.214   72.055   11.915   20.807   2.0326   22.803   1.9646 -1.996452 2.826869 
1 1 1   28   11    6 o   6.0422   2.5035   1.6803   6.6494  -0.6698   8.9841   4.5272   9.8880   6.4308   2.7943   7.6907   3.1033 -1.259970 4.175969 
1 1 1   28   11    7 o   12.157   2.4507   21.295   7.7258   26.962   12.228   17.530   9.9671   13.422   3.3908   10.930   3.1942 2.491944 4.658409 
1 1 1   28   11    8 o   36.086   0.9607  175.943   9.3110  163.664   12.568  190.882   13.863   34.702   1.3484   37.466   1.3776 -2.764835 1.927669 
1 1 1   28   11    9 o   19.234   1.4212   50.616   7.2899   49.484   9.9722   51.915   10.683   18.847   2.0005   19.276   2.0973 -0.4287872 2.898375 
1 1 1   28   11   10 o   21.988   1.2870   65.872   7.5678   68.463   10.330   62.871   11.118   22.288   1.7394   21.277   1.9678 1.011690 2.626371 
1 1 1   28   11   11 o   14.163   2.0361   28.214   7.5229   33.990   10.646   22.454   10.632   15.345   2.6807   12.283   3.1930 3.061439 4.169073 
1 1 1   28   11   12 o   11.164   2.5968   18.165   7.6401   18.859   11.014   17.522   10.607   11.295   3.3728   10.926   3.3205 0.3689899 4.733042 
1 1 1   28   11   13 o   24.041   1.3539   78.850   8.7070   72.430   13.093   83.941   11.659   22.762   2.1678   24.674   1.7710 -1.912184 2.799268 
1 1 1   28   11   14 o   9.7328   2.9073   13.720   8.1830   12.529   12.210   14.691   11.026   9.8439   3.5749   10.208   3.4173 -0.3642378 4.945517 
1 1 1   28   11   15 o   23.964   1.4316   78.502   9.1722   73.410   12.463   84.519   13.547   22.962   2.0421   24.639   2.0661 -1.677576 2.905049 
1 1 1   28   11   16 o   22.856   1.3992   71.389   8.5482   68.981   12.252   73.672   11.932   22.238   2.0753   23.038   1.9466 -0.7997875 2.845345 
1 1 1   28   11   17 f   26.416   1.2578   94.773   8.9241   85.480   12.349  104.932   12.911   24.858   1.8631   27.600   1.7507 -2.742182 2.556589 
1 1 1   28   11   18 o   26.727   1.2668   97.035   9.0943   97.494   12.868   96.578   12.854   26.575   1.8136   26.446   1.8207 0.1285496 2.569898 
1 1 1   28   11   19 o   18.658   1.5759   47.907   7.8238   40.278   10.613   56.989   11.579   16.818   2.4190   20.155   2.1733 -3.337072 3.251925 
1 1 1   28   11   20 o   12.504   2.4808   22.619   8.0377   9.8144   11.788   33.744   10.988   9.1767   3.4782   15.222   2.7903 -6.045318 4.459115 
1 1 1   28   11   21 o   27.573   1.2479  103.289   9.2422  105.673   13.767  101.333   12.470   27.637   1.8656   27.121   1.7207 0.5165005 2.537978 
1 1 1   28   11   22 o   12.659   2.5652   23.316   8.4232   9.6637   12.504   34.658   11.397   9.2554   3.5642   15.383   2.8639 -6.127072 4.572258 
1 1 1   28   11   23 o   10.514   2.9684   16.359   8.7502   23.847   12.131   8.2385   12.633   12.524   3.4809   8.9891   3.5471 3.535173 4.969833 
1 1 1   28   11   24 o   18.849   2.2552   50.335   11.191   72.496   15.378   25.386   16.317   22.492   2.5931   12.810   4.1515 9.681921 4.894776 
1 1 1   28   11   25 o   8.9048   2.9522   11.177   8.2334   5.0851   11.657   17.241   11.630   8.1532   3.3398   10.783   3.5056 -2.629562 4.841842 
1 1 1   28   11   26 o   15.467   2.3332   34.385   9.3912   9.3950   12.527   66.447   14.190   9.1104   3.5509   21.503   2.5037 -12.39302 4.344786 
1 1 1   28   11   27 o   25.436   1.6050   89.464   10.909   94.342   14.516   83.136   16.535   25.857   2.1084   23.959   2.6118 1.898642 3.356625 
1 1 1   28   11   28 o   32.137   1.1914  140.866   10.284  149.095   14.737  133.055   14.357   32.776   1.6796   30.925   1.7356 1.851624 2.415233 
1 1 1   28   11   29 o   9.0703   2.8879   12.203   7.9222   8.5086   10.786   16.533   11.675   8.4903   3.2988   10.412   3.5163 -1.921465 4.821466 
1 1 1   28   11   30 o   20.875   1.5730   60.722   8.7549   50.381   11.785   73.457   13.079   18.550   2.4232   22.610   2.1806 -4.060110 3.259940 
1 1 1   28   11   31 o   13.697   2.4556   27.978   8.7023   28.172   12.680   27.806   11.965   13.120   3.5237   13.122   3.3755 -0.2694130E-02 4.879576 
1 1 1   28   11   32 o   4.9080   2.3866 -14.8980   9.9999 -27.8207   13.292   1.9566   15.180   5.0773   2.5224   8.1104   3.5752 -3.033061 4.375423 
1 1 1   28   11   33 o   8.9411   3.3996   11.432   11.284   31.500   16.560  -5.9638   15.418   13.169   4.1733   7.2187   3.3449 5.950117 5.348367 
1 1 1   28   11   34 o   8.7289   3.9478   2.1727   19.808 -28.5700   31.365   22.570   25.548   8.3965   4.1139   11.352   4.8179 -2.955325 6.335317 
1 1 1   28   11   35 o   18.868   3.9807   63.958   19.539   0.0000   0.0000   63.958   19.539  ?   ?    18.868   3.9807 0.000000 3.980654 
1 1 1   28   12  -28 o   20.535   3.3832   66.439   18.010   66.439   18.010   0.0000   0.0000   20.535   3.3832  ?   ?  0.000000 3.383153 
1 1 1   28   12  -27 o   28.498   2.7118  119.993   20.507  119.993   20.507   0.0000   0.0000   28.498   2.7118  ?   ?  0.000000 2.711805 
1 1 1   28   12  -26 o   9.7207   3.6028   13.120   12.500   15.113   16.993   10.770   18.453   10.573   4.1316   10.088   4.1745 0.4850683 5.873350 
1 1 1   28   12  -25 o   10.734   3.3083   17.628   10.482   1.0884   17.352   27.133   13.154   8.7200   3.8339   13.078   3.6210 -4.357947 5.273578 
1 1 1   28   12  -24 o   8.3714   3.1740   8.3905   9.8184   2.0700   16.701   11.729   12.137   8.7564   3.8074   9.4812   3.5430 -0.7248011 5.200820 
1 1 1   28   12  -23 o   12.549   3.0496   23.820   10.178   39.111   17.735   16.311   12.428   15.548   4.1636   10.564   3.6275 4.984476 5.522119 
1 1 1   28   12  -22 o   11.393   3.1407   19.600   9.9207   15.416   16.381   22.024   12.467   10.806   4.0990   11.980   3.5909 -1.174138 5.449409 
1 1 1   28   12  -21 o   7.5144   2.9442   5.5566   8.6467  -4.0613   12.649   13.993   11.847   7.0528   3.1754   10.034   3.5357 -2.980926 4.752337 
1 1 1   28   12  -20 o   24.512   1.7500   83.113   11.446   65.728   22.620   89.096   13.271   20.380   4.2690   25.287   1.9694 -4.907366 4.701363 
1 1 1   28   12  -19 o   30.774   1.2974  128.892   10.724  126.972   15.727  130.561   14.661   30.237   1.9469   30.744   1.7831 -0.5070534 2.640011 
1 1 1   28   12  -18 o   33.961   1.2234  156.700   11.160  164.663   16.444  149.902   15.195   34.550   1.7781   32.989   1.7208 1.561111 2.474432 
1 1 1   28   12  -17 o   22.387   1.5740   68.901   9.4045   67.250   13.638   70.398   12.986   21.804   2.3668   22.394   2.1869 -0.5905685 3.222425 
1 1 1   28   12  -16 o   17.518   1.3779   42.051   6.4309   38.737   6.9286   62.659   17.279   16.763   1.5567   20.617   3.2262 -3.853697 3.582125 
1 1 1   28   12  -15 o   7.0309   2.6426   5.4669   6.7717   3.6382   8.3532   8.9726   11.566   7.0328   2.8472   8.9479   3.4323 -1.915159 4.459502 
1 1 1   28   12  -14 o   15.832   1.3645   34.370   5.7453   31.064   7.7715   38.354   8.5319   14.868   1.9965   16.559   1.9560 -1.691205 2.794994 
1 1 1   28   12  -13 o   19.721   1.4289   53.290   7.5172   50.981   10.108   56.147   11.244   19.106   1.9994   20.012   2.1244 -0.9058075 2.917276 
1 1 1   28   12  -12 o   17.811   1.3691   43.439   6.4992   48.735   8.5650   36.249   9.9785   18.771   1.7178   15.935   2.4064 2.836649 2.956676 
1 1 1   28   12  -11 o   19.744   1.2979   53.226   6.8448   54.371   8.7696   51.442   10.949   19.854   1.6597   19.131   2.1692 0.7229691 2.731288 
1 1 1   28   12  -10 o   24.886   1.1836   84.027   7.9110   84.438   9.8258   83.270   13.338   24.833   1.4799   24.447   2.0503 0.3863411 2.528573 
1 1 1   28   12   -9 o   32.954   1.0830  147.102   9.5856  159.100   12.808  131.826   14.452   34.176   1.3954   30.940   1.7462 3.235895 2.235248 
1 1 1   28   12   -8 o   17.230   1.6051   40.951   7.3428   36.794   9.9726   45.872   10.852   16.070   2.3826   18.010   2.2955 -1.939730 3.308465 
1 1 1   28   12   -7 o   39.433   0.9630  210.234   10.200  214.350   13.892  205.420   15.022   39.707   1.3026   38.818   1.4408 0.8887138 1.942369 
1 1 1   28   12   -6 o   8.6836   2.5889   10.801   6.4931   12.244   9.4312   9.5003   8.9527   9.3975   3.1605   8.6002   3.0690 0.7972527 4.405429 
1 1 1   28   12   -5 o   11.915   2.3400   20.435   7.2217   17.585   11.620   22.228   9.2182   10.967   3.4981   12.285   2.8490 -1.318319 4.511503 
1 1 1   28   12   -4 o   30.291   0.9863  124.086   8.0249  115.227   11.376  132.860   11.322   29.034   1.4635   31.250   1.3489 -2.215612 1.990327 
1 1 1   28   12   -3 o   27.373   1.0628  101.439   7.8137  109.509   10.796   92.562   11.323   28.316   1.4240   25.958   1.6324 2.358341 2.166229 
1 1 1   28   12   -2 o   12.480   2.1925   22.203   7.0811   19.178   9.3717   26.229   10.810   11.380   3.0171   13.288   3.0876 -1.908425 4.316935 
1 1 1   28   12   -1 o   27.592   1.1264  103.165   8.3480  112.757   11.239   91.362   12.468   28.722   1.4617   25.722   1.8164 3.000521 2.331460 
1 1 1   28   12    0 f   18.279   1.5277   45.920   7.4317   44.431   10.103   47.675   10.970   17.778   2.1601   18.383   2.2700 -0.6048603 3.133572 
1 1 1   28   12    1 o   8.0717   2.9163   8.0856   8.1100   19.760   11.632  -2.9590   11.314   11.527   3.4715   6.8392   3.0468 4.687741 4.618855 
1 1 1   28   12    2 o   19.481   1.5699   52.182   8.1448   62.002   11.364   41.812   11.679   21.089   2.0314   17.058   2.6340 4.031338 3.326368 
1 1 1   28   12    3 o   21.405   1.4189   62.678   8.1112   66.650   10.455   56.671   12.856   21.960   1.7880   19.989   2.4455 1.970421 3.029474 
1 1 1   28   12    4 o   24.781   1.3735   83.832   9.1061   89.982   13.004   77.916   12.756   25.485   1.9137   23.661   2.0267 1.824316 2.787412 
1 1 1   28   12    5 o   36.775   0.9442  182.786   9.3258  194.225   13.204  171.400   13.173   37.800   1.3005   35.481   1.3823 2.318241 1.897945 
1 1 1   28   12    6 o   6.7475   2.6305   4.2868   6.8758   11.363   9.5869  -3.2090   9.8669   9.1836   3.1841   6.3202   2.8282 2.863428 4.258764 
1 1 1   28   12    7 o   44.572   0.8889  268.336   10.642  264.432   14.440  272.976   15.745   44.136   1.2181   44.807   1.3083 -0.6707458 1.787547 
1 1 1   28   12    8 o   13.179   2.0530   24.554   7.0301   26.675   9.5552   22.051   10.380   13.519   2.7256   12.155   3.1527 1.363585 4.167604 
1 1 1   28   12    9 o   13.038   2.1308   24.136   7.2041   33.522   9.7228   12.709   10.727   15.301   2.4484   9.6672   3.3672 5.633339 4.163280 
1 1 1   28   12   10 o   24.797   1.1940   83.445   7.9522   86.682   10.837   79.669   11.705   25.116   1.6150   23.997   1.8298 1.119074 2.440598 
1 1 1   28   12   11 o   15.934   1.7785   35.293   7.4816   40.308   10.058   29.082   11.194   16.869   2.2782   13.999   3.0623 2.869766 3.816800 
1 1 1   28   12   12 o   18.090   1.8290   45.466   8.7651   53.931   13.674   39.562   11.420   19.365   2.7027   16.559   2.6575 2.805702 3.790344 
1 1 1   28   12   13 o   8.2852   2.9582   8.7668   8.3193  -5.0922   10.757   29.389   13.122   6.3609   2.8897   13.909   3.5119 -7.548514 4.547951 
1 1 1   28   12   14 o   18.466   1.7025   47.155   8.3491   62.786   11.938   32.190   11.681   21.171   2.1282   14.746   3.0499 6.424840 3.719050 
1 1 1   28   12   15 o   15.480   1.8497   33.438   7.5385   35.771   10.249   30.687   11.128   15.788   2.5000   14.419   2.9721 1.369481 3.883747 
1 1 1   28   12   16 o   18.362   1.6338   46.532   7.9732   44.192   10.779   49.359   11.848   17.648   2.3311   18.627   2.4258 -0.9786739 3.364286 
1 1 1   28   12   17 o   39.083   1.1888  207.360   12.480  202.325   17.218  212.932   18.113   38.407   1.6691   39.379   1.7125 -0.9722366 2.391410 
1 1 1   28   12   18 o   18.723   1.9166   48.882   9.5021   36.209   11.589   74.872   16.597   15.729   2.8481   22.805   2.7663 -7.075680 3.970385 
1 1 1   28   12   19 o   39.991   1.0924  216.819   11.734  240.880   14.783  175.848   19.291   42.065   1.3084   35.554   2.0285 6.510868 2.413872 
1 1 1   28   12   20 o   10.051   3.0536   14.841   8.9711   23.058   12.114   4.8594   13.351   12.300   3.4996   8.5338   3.5426 3.766620 4.979664 
1 1 1   28   12   21 o   25.128   1.4739   86.650   9.9039   97.610   13.588   74.227   14.466   26.481   1.9235   22.851   2.3924 3.629593 3.069783 
1 1 1   28   12   22 o   21.681   1.8329   65.443   10.573   72.091   15.794   60.044   14.234   22.330   2.6872   20.368   2.6658 1.962097 3.785177 
1 1 1   28   12   23 o   10.565   2.9808   16.747   8.8262   25.443   11.736   5.4257   13.391   12.859   3.3607   8.5693   3.5519 4.289468 4.889750 
1 1 1   28   12   24 o   25.368   1.3723   88.303   9.3157  109.787   13.826   70.442   12.607   28.061   1.8447   22.312   2.1295 5.749456 2.817412 
1 1 1   28   12   25 o   18.798   1.8343   49.591   9.1430   45.518   12.902   53.699   12.958   17.494   2.8435   19.184   2.5803 -1.689554 3.839721 
1 1 1   28   12   26 o   21.582   1.5590   64.638   8.9762   70.513   11.869   56.788   13.720   22.320   2.0010   19.625   2.6724 2.694366 3.338513 
1 1 1   28   12   27 o   9.0251   2.9086   12.123   8.0180   10.647   10.855   13.894   11.894   8.9304   3.3480   9.7694   3.5314 -0.8390074 4.866148 
1 1 1   28   12   28 o   22.191   1.4612   68.339   8.6603   70.569   11.896   65.824   12.632   22.235   2.0138   21.323   2.2390 0.9119663 3.011360 
1 1 1   28   12   29 o   11.028   2.7846   18.860   8.2497   23.984   11.936   14.175   11.415   12.086   3.4851   9.6691   3.4638 2.416897 4.913664 
1 1 1   28   12   30 o   15.277   2.2376   34.400   8.9091   29.254   14.511   37.513   11.287   12.992   3.8694   15.599   2.7967 -2.607003 4.774325 
1 1 1   28   12   31 o   11.115   3.7989   21.217   13.628   24.530   31.422   20.449   15.124   11.848   5.1855   10.930   3.9773 0.9184341 6.535172 
1 1 1   28   12   32 o   6.3457   3.0598 -15.9116   15.576 -37.4000   30.054  -8.0211   18.212   7.8242   3.8704   7.5151   3.5321 0.3090854 5.239822 
1 1 1   28   12   33 o   7.1401   3.3543  -7.3429   16.391   0.0000   0.0000  -7.3429   16.391  ?   ?    7.1401   3.3543 0.000000 3.354308 
1 1 1   28   12   34 o   11.690   4.8769   30.350   25.482   0.0000   0.0000   30.350   25.482  ?   ?    11.690   4.8769 0.000000 4.876914 
1 1 1   28   13  -27 o   17.760   3.7613   52.934   17.384   52.934   17.384   0.0000   0.0000   17.760   3.7613  ?   ?  0.000000 3.761316 
1 1 1   28   13  -26 o   8.5300   3.7728   2.1420   17.043   2.1420   17.043   0.0000   0.0000   8.5300   3.7728  ?   ?  0.000000 3.772782 
1 1 1   28   13  -25 o   20.861   3.5931   69.731   19.406   69.731   19.406   0.0000   0.0000   20.861   3.5931  ?   ?  0.000000 3.593136 
1 1 1   28   13  -24 o   17.743   2.8355   47.385   13.058   36.501   17.569   60.817   19.518   14.599   4.2335   19.288   3.9015 -4.688373 5.757122 
1 1 1   28   13  -23 o   6.7613   2.9618  -0.2814   10.272  -1.0983   15.705   0.3293   13.579   8.0491   3.5874   7.7345   3.3963 0.3145995 4.940081 
1 1 1   28   13  -22 o   27.206   1.5709  102.418   11.430  104.896   19.612  101.143   14.066   26.730   2.7720   26.814   1.9668 -0.8380508E-01 3.398923 
1 1 1   28   13  -21 o   30.772   1.4850  130.077   12.274  127.015   20.336  131.831   15.393   29.657   2.5786   30.725   1.8743 -1.067257 3.187788 
1 1 1   28   13  -20 o   24.500   1.6854   83.219   11.023   85.692   18.826   81.928   13.598   24.102   2.9710   24.090   2.1233 0.1237679E-01 3.651720 
1 1 1   28   13  -19 o   21.673   2.1057   66.239   12.103   70.000   27.632   65.347   13.463   20.150   5.1008   21.384   2.3846 -1.234182 5.630705 
1 1 1   28   13  -18 o   19.517   2.1597   53.866   11.132   42.506   21.553   57.998   13.000   15.961   4.7066   20.116   2.4570 -4.155888 5.309337 
1 1 1   28   13  -17 o   18.165   1.4890   45.455   7.2012   45.703   8.8779   44.978   12.313   18.093   1.8531   17.590   2.6917 0.5027065 3.267914 
1 1 1   28   13  -16 o   18.737   1.3217   48.071   6.6089   47.618   7.7770   49.246   12.538   18.574   1.5737   18.479   2.5978 0.9460831E-01 3.037320 
1 1 1   28   13  -15 o   22.536   1.3001   69.382   7.8363   65.697   8.6699   85.825   18.316   21.871   1.4847   24.338   2.8562 -2.466925 3.218991 
1 1 1   28   13  -14 o   6.4418   2.5148   3.8948   6.2912   4.2616   8.7520   3.5026   9.0497   7.2656   2.9239   7.1905   2.9437 0.7513762E-01 4.149017 
1 1 1   28   13  -13 o   23.429   1.0976   74.430   6.9069   69.311   9.1462   81.224   10.536   22.460   1.5252   24.286   1.6246 -1.825632 2.228362 
1 1 1   28   13  -12 f   16.318   1.4904   36.676   6.4601   44.756   8.6745   26.614   9.6800   17.934   1.8264   13.459   2.7702 4.475156 3.318043 
1 1 1   28   13  -11 o   16.415   1.5163   37.138   6.6096   48.099   8.7723   22.743   10.053   18.616   1.7759   12.338   3.0507 6.278155 3.529945 
1 1 1   28   13  -10 o   8.4724   2.6861   10.141   6.8593   13.818   9.7159   6.4881   9.6852   9.8222   3.2047   8.0025   3.1213 1.819701 4.473551 
1 1 1   28   13   -9 o   57.692   0.8168  449.316   12.656  448.150   17.434  450.616   18.403   57.481   1.1292   57.607   1.1894 -0.1267433 1.640043 
1 1 1   28   13   -8 o   34.130   0.9989  157.661   9.1574  161.646   11.997  152.098   14.175   34.468   1.2958   33.328   1.5835 1.139904 2.046168 
1 1 1   28   13   -7 o   7.8970   2.6007   8.5654   6.3930   8.1862   8.9889   8.9536   9.0941   8.2496   3.0556   8.4625   3.0834 -0.2128944 4.341008 
1 1 1   28   13   -6 o   42.783   0.9593  247.579   11.023  247.082   17.294  247.919   14.306   42.513   1.5146   42.707   1.2471 -0.1934013 1.961955 
1 1 1   28   13   -5 o   20.319   1.3540   56.475   7.3473   54.491   10.286   58.542   10.499   19.759   1.9641   20.500   1.9294 -0.7408237 2.753236 
1 1 1   28   13   -4 f   5.5200   2.4531  -2.0572   7.2890 -11.4068   10.189   7.7446   10.432   5.4277   2.5781   8.4456   3.2546 -3.017925 4.152017 
1 1 1   28   13   -3 o   29.718   1.1099  119.742   8.8593  107.284   11.096  141.645   14.713   27.989   1.4813   32.069   1.7144 -4.079962 2.265735 
1 1 1   28   13   -2 o   28.072   1.2493  107.118   9.4194  119.646   12.299   89.344   14.649   29.533   1.5560   25.246   2.1818 4.286591 2.679817 
1 1 1   28   13   -1 o   45.577   0.9648  280.991   11.811  285.200   14.918  273.922   19.335   45.822   1.2121   44.715   1.6099 1.107620 2.015192 
1 1 1   28   13    0 o   22.965   1.6225   72.608   9.9432   66.575   12.370   83.626   16.716   21.787   2.1415   24.202   2.6129 -2.415672 3.378340 
1 1 1   28   13    1 o   4.8909   2.3004  -7.6291   7.7472 -10.5374   9.2590  -0.8401   14.147   5.1695   2.4561   7.9161   3.4716 -2.746561 4.252541 
1 1 1   28   13    2 o   16.611   2.0538   38.789   8.9683   55.944   10.482  -8.0696   17.324   20.020   1.9751   7.9091   3.6213 12.11123 4.124925 
1 1 1   28   13    3 o   24.637   1.2896   82.789   8.5039   94.407   11.009   65.604   13.389   26.219   1.5706   21.531   2.3536 4.687325 2.829522 
1 1 1   28   13    4 f   38.226   0.9960  197.757   10.227  224.022   13.586  163.423   15.534   40.598   1.2460   34.508   1.6759 6.089542 2.088364 
1 1 1   28   13    5 o   10.780   2.7771   17.147   8.0902   23.043   10.930   10.002   12.032   12.373   3.2478   9.2315   3.5103 3.141354 4.782303 
1 1 1   28   13    6 o   46.196   0.9655  288.689   11.980  296.270   15.397  277.058   19.071   46.695   1.2276   44.984   1.5784 1.710247 1.999613 
1 1 1   28   13    7 o   28.022   1.1699  106.580   8.8052  116.971   11.453   91.562   13.769   29.271   1.4568   25.635   2.0160 3.635351 2.487280 
1 1 1   28   13    8 o   9.4760   2.7597   13.085   7.4512   24.323   9.5280  -4.6092   11.956   12.836   2.8390   6.8002   3.0721 6.035289 4.183017 
1 1 1   28   13    9 o   7.3405   2.7644   6.0225   7.4171  -0.1065   9.2891   16.804   12.320   6.5969   2.8539   10.779   3.6124 -4.181710 4.603689 
1 1 1   28   13   10 o   23.575   1.3632   75.973   8.5951   77.777   10.997   73.139   13.780   23.726   1.7376   22.775   2.2834 0.9515553 2.869382 
1 1 1   28   13   11 o   16.111   2.1955   36.761   9.2528   44.071   11.742   24.787   15.029   17.507   2.5740   12.710   3.9685 4.797191 4.730163 
1 1 1   28   13   12 f   15.568   2.1212   34.258   8.6388   35.961   10.175   29.859   16.351   15.821   2.4755   13.809   4.1063 2.012963 4.794775 
1 1 1   28   13   13 o   12.889   2.5684   24.204   8.5791   33.146   11.598   13.400   12.749   14.961   2.9909   10.042   3.6520 4.918759 4.720433 
1 1 1   28   13   14 o   14.493   2.3460   30.113   8.8201   27.288   11.741   33.771   13.363   13.430   3.2825   14.911   3.4106 -1.480536 4.733644 
1 1 1   28   13   15 o   13.049   2.4529   24.679   8.2815   17.417   10.671   35.675   13.131   10.821   3.3384   15.386   3.2779 -4.565145 4.678656 
1 1 1   28   13   16 o   5.7187   2.5122  -1.2018   7.4357  -5.8887   9.7781   5.2249   11.450   5.8918   2.7061   8.1419   3.3196 -2.250094 4.282859 
1 1 1   28   13   17 o   22.675   1.3730   70.430   8.3226   81.711   11.322   57.167   12.276   24.287   1.7472   20.051   2.3225 4.236549 2.906306 
1 1 1   28   13   18 o   8.7201   2.8323   10.809   7.5924   6.6840   10.280   15.759   11.262   8.1342   3.2030   10.377   3.4533 -2.243185 4.710033 
1 1 1   28   13   19 o   39.819   0.9853  214.870   10.538  217.864   14.459  211.479   15.390   39.938   1.3479   39.292   1.4583 0.6456795 1.985855 
1 1 1   28   13   20 o   10.998   2.8090   18.137   8.3273   17.679   12.286   18.527   11.326   10.850   3.6068   11.033   3.4451 -0.1828156 4.987766 
1 1 1   28   13   21 o   20.941   1.7686   61.193   9.8548   65.738   16.009   58.420   12.505   21.076   2.9053   20.173   2.3520 0.9026661 3.738027 
1 1 1   28   13   22 o   25.422   1.5357   89.348   10.436   88.506   14.613   90.224   14.910   24.929   2.2051   25.156   2.2299 -0.2263393 3.136092 
1 1 1   28   13   23 o   5.6320   2.5397  -2.9301   8.1290 -16.4813   11.703   9.7053   11.300   5.4121   2.6200   8.8332   3.3916 -3.421119 4.285729 
1 1 1   28   13   24 o   26.834   1.4660   99.620   10.526  105.665   15.178   94.019   14.609   27.235   2.0909   25.647   2.1404 1.587418 2.992144 
1 1 1   28   13   25 o   12.095   2.6052   22.129   8.2131   17.913   10.954   27.542   12.412   10.643   3.3965   13.034   3.4801 -2.391614 4.862884 
1 1 1   28   13   26 o   7.0983   2.8132   5.2723   7.9780   5.2472   10.728   5.3033   11.933   7.7174   3.1873   7.9800   3.3339 -0.2625251 4.612400 
1 1 1   28   13   27 o   17.093   2.0970   42.459   9.4253   31.760   14.581   50.138   12.353   13.592   3.8299   18.248   2.5934 -4.655531 4.625411 
1 1 1   28   13   28 o   24.265   1.5241   82.506   9.8827   85.023   15.588   80.814   12.779   23.858   2.4682   23.639   2.0325 0.2195225 3.197378 
1 1 1   28   13   29 o   17.904   3.1120   51.464   14.422  -9.7680   30.452   69.167   16.374   9.2052   4.3960   20.911   3.0014 -11.70607 5.322863 
1 1 1   28   13   30 o   7.3790   3.3078   0.3821   13.559   21.870   29.636  -5.3068   15.249   11.193   4.9616   7.1177   3.3079 4.075188 5.963186 
1 1 1   28   13   31 o   7.6816   3.5843  -4.4288   18.192   0.0000   0.0000  -4.4288   18.192  ?   ?    7.6816   3.5843 0.000000 3.584293 
1 1 1   28   14  -26 o   16.043   5.0637   54.530   24.398   54.530   24.398   0.0000   0.0000   16.043   5.0637  ?   ?  0.000000 5.063696 
1 1 1   28   14  -25 o   7.7155   3.4885  -1.1002   15.455  -1.1002   15.455   0.0000   0.0000   7.7155   3.4885  ?   ?  0.000000 3.488494 
1 1 1   28   14  -24 o   9.5935   3.9790   11.299   16.822   11.299   16.822   0.0000   0.0000   9.5935   3.9790  ?   ?  0.000000 3.979030 
1 1 1   28   14  -23 o   19.211   2.9478   56.820   14.725   52.648   18.878   63.300   23.529   17.464   4.0956   18.498   4.7201 -1.033747 6.249300 
1 1 1   28   14  -22 o   10.283   3.5933   16.469   12.221   38.370   16.253 -12.0287   18.539   15.026   3.9682   7.5066   3.5391 7.519526 5.317146 
1 1 1   28   14  -21 o   13.629   3.4278   29.806   12.536   45.563   16.661   9.2461   19.032   16.645   3.8091   9.8265   4.1638 6.818690 5.643227 
1 1 1   28   14  -20 o   8.1293   3.3512   5.6864   11.831  -8.7225   16.166   22.304   17.361   7.3292   3.4061   11.787   4.2655 -4.457468 5.458572 
1 1 1   28   14  -19 o   20.082   1.9337   56.976   10.301   57.888   18.411   56.561   12.429   19.061   3.7297   19.757   2.3908 -0.6961498 4.430143 
1 1 1   28   14  -18 o   16.785   2.5970   41.383   11.330   7.3460   26.103   49.284   12.577   10.769   4.7194   18.324   2.6308 -7.554627 5.403133 
1 1 1   28   14  -17 o   11.017   3.3269   18.633   10.673   62.140   23.421   7.2310   11.990   19.169   4.6062   8.5329   3.4263 10.63597 5.740829 
1 1 1   28   14  -16 o   16.585   2.3882   39.719   10.332   24.803   17.942   47.118   12.637   12.521   4.3551   17.920   2.7102 -5.399178 5.129476 
1 1 1   28   14  -15 o   12.093   2.2532   21.182   7.0492   22.043   8.4662   19.237   12.728   12.190   2.6606   11.241   3.6680 0.9489803 4.531291 
1 1 1   28   14  -14 o   15.918   1.7031   35.325   7.1687   31.537   8.4922   44.717   13.372   14.851   2.1951   17.347   2.9772 -2.495217 3.698923 
1 1 1   28   14  -13 o   28.253   1.0942  108.389   8.3038  122.375   10.572   85.864   13.417   29.949   1.3143   24.741   2.0371 5.207121 2.424239 
1 1 1   28   14  -12 f   8.8056   2.5971   11.286   6.5623   3.9249   8.2839   23.687   10.753   7.0325   2.8395   12.487   3.1934 -5.454345 4.273222 
1 1 1   28   14  -11 o   12.225   2.2884   21.592   7.2380   31.288   10.260   11.984   10.213   14.599   2.7164   9.3471   3.2838 5.252145 4.261679 
1 1 1   28   14  -10 o   31.451   0.9715  133.935   8.2067  147.647   11.178  117.900   12.087   32.929   1.2639   29.289   1.5419 3.639652 1.993728 
1 1 1   28   14   -9 o   14.406   1.7823   29.026   6.7488   26.403   9.2380   32.029   9.8830   13.418   2.6573   14.848   2.5713 -1.429921 3.697716 
1 1 1   28   14   -8 o   20.517   1.3234   57.605   7.2538   60.450   10.007   54.454   10.529   20.857   1.8042   19.705   2.0180 1.152170 2.706877 
1 1 1   28   14   -7 o   49.283   0.8885  328.355   11.760  319.617   17.165  336.086   16.145   48.429   1.3196   49.719   1.2090 -1.290161 1.789716 
1 1 1   28   14   -6 o   23.121   1.2215   72.891   7.5588   79.367   10.401   65.641   11.005   23.994   1.6234   21.703   1.9072 2.291592 2.504557 
1 1 1   28   14   -5 o   17.296   1.7988   41.667   8.2341   37.059   11.069   47.377   12.321   15.961   2.6768   18.121   2.6064 -2.160199 3.736139 
1 1 1   28   14   -4 o   10.659   2.5671   16.694   7.2618   22.096   10.761   12.178   9.8399   12.089   3.2458   9.3763   3.2272 2.712923 4.577150 
1 1 1   28   14   -3 o   9.2871   2.7305   12.577   7.2638   13.856   10.887   11.550   9.7517   9.9143   3.3954   9.2051   3.2102 0.7091312 4.672699 
1 1 1   28   14   -2 o   21.205   1.3971   61.619   7.9127   60.022   11.500   63.055   10.904   20.671   2.1005   21.263   1.9304 -0.5916519 2.852808 
1 1 1   28   14   -1 o   27.421   1.1671  102.120   8.5954   98.456   12.722  105.196   11.659   26.670   1.7864   27.662   1.5757 -0.9917393 2.381997 
1 1 1   28   14    0 f   8.2136   2.8031   9.1378   7.4194   8.0302   9.5518   10.823   11.781   8.3064   3.1351   9.3346   3.4900 -1.028168 4.691372 
1 1 1   28   14    1 o   7.5675   2.7564   7.0189   7.2667   17.134   9.6191  -6.4282   11.091   10.725   3.1390   6.2824   2.8842 4.442940 4.262878 
1 1 1   28   14    2 o   16.424   1.9532   37.842   8.4471   28.395   10.687   53.572   13.790   13.817   2.9682   19.222   2.7493 -5.405072 4.045851 
1 1 1   28   14    3 o   13.863   2.1540   27.355   7.7599   35.406   10.577   17.967   11.420   15.624   2.6126   10.985   3.4641 4.638781 4.338881 
1 1 1   28   14    4 o   14.308   2.0763   29.001   7.7462   32.953   10.334   23.934   11.702   15.042   2.6550   12.537   3.3926 2.505136 4.308026 
1 1 1   28   14    5 o   34.980   1.0229  165.768   9.6101  174.884   12.930  154.518   14.364   35.816   1.3441   33.565   1.5933 2.251289 2.084509 
1 1 1   28   14    6 o   5.9023   2.5399   0.0835   7.2792   0.7098   9.9562  -0.6358   10.670   6.9334   2.9767   6.9358   3.0289 -0.2428532E-02 4.246807 
1 1 1   28   14    7 o   25.185   1.2055   86.228   8.1545   93.390   11.023   77.570   12.119   26.051   1.5829   23.593   1.9294 2.457455 2.495607 
1 1 1   28   14    8 o   10.833   2.5639   17.257   7.3442   11.887   9.9486   23.688   10.887   9.3061   3.2426   12.507   3.2213 -3.201006 4.570688 
1 1 1   28   14    9 o   15.270   1.8931   32.723   7.5981   21.988   10.146   46.431   11.465   12.079   3.1090   18.003   2.4335 -5.924293 3.948118 
1 1 1   28   14   10 o   11.688   2.6328   20.139   8.0670   40.526   11.693   1.6236   11.144   16.675   2.7033   7.4249   3.1674 9.250246 4.164179 
1 1 1   28   14   11 o   7.8016   2.8812   7.3847   7.9800   10.370   9.9256   1.9285   13.420   8.9098   3.2251   8.0634   3.4587 0.8463621 4.729072 
1 1 1   28   14   12 f   16.984   1.7589   40.208   7.9074   54.745   10.640   22.270   11.819   19.731   2.0369   12.051   3.4659 7.680422 4.020134 
1 1 1   28   14   13 o   17.642   1.7961   43.445   8.3921   42.153   11.925   44.713   11.813   16.984   2.7047   17.563   2.5812 -0.5782623 3.738669 
1 1 1   28   14   14 o   17.502   1.8819   42.951   8.7072   48.944   12.544   37.378   12.096   18.356   2.6185   15.841   2.9517 2.514853 3.945735 
1 1 1   28   14   15 o   6.1468   2.6104   1.0256   7.5069   1.1545   9.7685   0.8396   11.732   6.9102   2.9571   7.4223   3.2091 -0.5120721 4.363842 
1 1 1   28   14   16 o   10.920   2.6281   17.756   7.6152   23.293   10.148   10.620   11.521   12.365   3.0699   9.1497   3.4454 3.215238 4.614621 
1 1 1   28   14   17 o   16.947   1.8259   40.334   8.1796   40.541   11.051   40.082   12.165   16.660   2.5509   16.397   2.8664 0.2622356 3.837115 
1 1 1   28   14   18 o   21.624   1.4837   64.611   8.5655   64.647   11.653   64.568   12.633   21.360   2.0566   21.241   2.2486 0.1194992 3.047210 
1 1 1   28   14   19 o   7.2981   2.8128   5.9250   7.7924  -1.0360   10.487   14.508   11.644   6.7147   2.9652   9.9457   3.5053 -3.231006 4.591215 
1 1 1   28   14   20 o   6.8084   2.7987   3.4096   8.2224  -0.3188   10.325   9.8743   13.595   6.7526   2.9634   9.1909   3.6629 -2.438302 4.711577 
1 1 1   28   14   21 o   20.763   1.6651   60.361   9.2074   71.940   13.190   49.356   12.859   22.332   2.2288   18.160   2.7201 4.172121 3.516580 
1 1 1   28   14   22 o   14.632   2.3888   31.667   9.0639   40.718   14.066   25.240   11.853   15.957   3.3867   12.474   3.4307 3.482939 4.820743 
1 1 1   28   14   23 o   22.240   1.7574   69.895   10.412   90.111   16.610   56.808   13.364   24.630   2.5476   19.460   2.6237 5.170355 3.657049 
1 1 1   28   14   24 o   14.977   2.6946   34.334   10.441   20.646   15.790   44.971   13.919   11.090   4.0596   16.792   3.2030 -5.701602 5.170990 
1 1 1   28   14   25 o   4.4813   2.2021 -16.4295   9.1980 -16.1260   14.385 -16.6394   11.963   6.0869   2.9364   5.3709   2.6114 0.7160039 3.929616 
1 1 1   28   14   26 o   15.287   3.0332   37.478   12.015   22.470   22.948   43.146   14.102   11.268   4.6582   16.137   3.3627 -4.869079 5.745175 
1 1 1   28   14   27 o   9.1917   3.8167   11.334   15.503   1.1200   28.889   15.465   18.372   9.5713   4.4826   10.018   4.1569 -0.4463396 6.113370 
1 1 1   28   14   28 o   17.000   3.7094   51.091   16.461   45.980   29.466   53.410   19.847   13.458   5.3829   16.487   4.4000 -3.028189 6.952406 
1 1 1   28   14   29 o   8.6856   4.0827  -1.2040   24.341  -1.2040   24.341   0.0000   0.0000   8.6856   4.0827  ?   ?  0.000000 4.082669 
1 1 1   28   14   30 o   10.139   4.6646   16.430   29.217   0.0000   0.0000   16.430   29.217  ?   ?    10.139   4.6646 0.000000 4.664578 
1 1 1   28   15  -24 o   8.0804   3.5739   3.6369   15.293   3.6369   15.293   0.0000   0.0000   8.0804   3.5739  ?   ?  0.000000 3.573857 
1 1 1   28   15  -23 f   4.8166   2.4352 -44.2795   15.331 -44.2795   15.331   0.0000   0.0000   4.8166   2.4352  ?   ?  0.000000 2.435222 
1 1 1   28   15  -22 o   9.7121   3.9687   13.325   16.412   13.325   16.412   0.0000   0.0000   9.7121   3.9687  ?   ?  0.000000 3.968726 
1 1 1   28   15  -21 o   13.934   3.3321   31.914   12.302   29.532   16.436   34.948   18.551   12.765   4.1684   13.635   4.4272 -0.8698168 6.080737 
1 1 1   28   15  -20 o   5.4782   2.6422 -14.3355   11.631 -30.8569   16.127   3.5769   16.792   5.6604   2.8063   8.5760   3.7711 -2.915596 4.700652 
1 1 1   28   15  -19 o   8.8377   3.4529   10.133   11.867   5.2597   15.847   16.355   17.906   8.6837   3.7422   10.542   4.2029 -1.858201 5.627499 
1 1 1   28   15  -18 o   16.906   2.8198   43.491   12.353   41.427   17.358   45.609   17.584   15.496   4.1050   16.357   4.0290 -0.8606291 5.751863 
1 1 1   28   15  -17 o   8.1731   3.3690   6.0854   11.956   16.842   17.057  -4.3032   16.763   10.700   4.1509   7.8410   3.5795 2.858603 5.481140 
1 1 1   28   15  -16 o   13.881   3.4328   30.795   12.727   13.960   25.640   36.298   14.660   11.164   4.7845   14.932   3.6793 -3.767935 6.035594 
1 1 1   28   15  -15 o   23.486   1.9119   77.836   11.956   77.700   27.549   77.867   13.270   20.782   4.9970   23.350   2.1397 -2.568766 5.435798 
1 1 1   28   15  -14 o   5.8530   2.6590  -3.8532   9.1072 -23.2096   15.147   7.1054   11.397   5.9561   2.9054   8.3339   3.3427 -2.377808 4.428822 
1 1 1   28   15  -13 o   8.2420   2.7702   9.6098   7.2455   1.2145   8.9874   25.197   12.246   6.6368   2.8382   12.623   3.4935 -5.985987 4.501084 
1 1 1   28   15  -12 o   20.778   1.6471   60.043   9.1168   58.252   12.709   61.942   13.086   20.085   2.4035   20.723   2.3951 -0.6380329 3.393142 
1 1 1   28   15  -11 o   25.672   1.2018   89.871   8.2865   98.838   11.531   80.297   11.916   26.715   1.6146   23.947   1.8674 2.768682 2.468637 
1 1 1   28   15  -10 o   14.208   1.9371   28.615   7.1995   27.275   9.9253   30.102   10.459   13.491   2.8294   14.183   2.8445 -0.6917114 4.012080 
1 1 1   28   15   -9 o   21.539   1.4603   63.927   8.3981   56.951   11.490   71.928   12.305   20.018   2.1719   22.584   2.0510 -2.565718 2.987233 
1 1 1   28   15   -8 o   22.639   1.3652   70.352   8.2622   77.791   12.250   64.144   11.191   23.551   1.9543   21.363   1.9725 2.187439 2.776742 
1 1 1   28   15   -7 o   30.664   1.0834  127.739   8.9228  120.653   12.575  134.924   12.662   29.568   1.5893   31.349   1.5038 -1.781017 2.187984 
1 1 1   28   15   -6 o   11.386   2.4489   19.042   7.2670   25.587   9.5668   10.113   11.174   13.099   2.8039   9.0071   3.3928 4.091696 4.401424 
1 1 1   28   15   -5 o   13.300   2.0472   25.208   7.0784   24.126   9.8377   26.369   10.192   12.659   2.9482   13.249   2.9409 -0.5896626 4.164271 
1 1 1   28   15   -4 o   14.259   1.9265   28.721   7.1893   26.401   9.9881   31.215   10.356   13.285   2.8820   14.533   2.7540 -1.247603 3.986266 
1 1 1   28   15   -3 o   12.124   2.5559   21.639   8.0609   11.412   13.396   27.445   10.093   9.6330   3.6942   13.563   2.8605 -3.930185 4.672200 
1 1 1   28   15   -2 o   18.402   1.5201   46.762   7.4459   46.350   10.301   47.212   10.775   18.070   2.1655   18.201   2.2522 -0.1304932 3.124408 
1 1 1   28   15   -1 o   12.390   2.6085   22.639   8.4062   22.458   11.380   22.856   12.471   12.091   3.3753   12.153   3.5792 -0.6189823E-01 4.919631 
1 1 1   28   15    0 o   13.238   2.1195   25.055   7.2818   27.511   10.075   22.369   10.536   13.587   2.8517   12.116   3.1928 1.471381 4.280960 
1 1 1   28   15    1 o   11.343   2.4845   18.910   7.3600   15.863   10.154   22.283   10.683   10.325   3.2676   12.082   3.2299 -1.757011 4.594487 
1 1 1   28   15    2 o   18.396   1.7183   47.083   8.3916   34.971   11.422   61.287   12.369   15.349   2.8764   20.766   2.2539 -5.416824 3.654222 
1 1 1   28   15    3 o   5.1258   2.3807  -6.0419   7.8794 -12.0732   10.028   3.6886   12.738   5.2716   2.5189   8.1381   3.4250 -2.866561 4.251542 
1 1 1   28   15    4 o   33.739   1.0576  154.505   9.5837  174.000   13.089  131.973   14.071   35.679   1.3658   30.880   1.7031 4.798563 2.183144 
1 1 1   28   15    5 o   15.311   1.9340   33.068   7.7758   45.140   10.446   18.064   11.645   17.792   2.2352   10.935   3.5033 6.856940 4.155617 
1 1 1   28   15    6 o   6.0429   2.5873   0.5369   7.4852  -3.0157   9.4037   6.6799   12.366   6.1240   2.7493   8.5512   3.4634 -2.427147 4.421949 
1 1 1   28   15    7 o   14.660   2.0090   30.492   7.7028   44.383   10.444   13.924   11.406   17.621   2.2588   9.8967   3.4707 7.724001 4.140980 
1 1 1   28   15    8 o   25.287   1.3380   87.642   9.0551   94.828   13.136   81.133   12.500   26.051   1.8902   24.056   1.9514 1.994925 2.716774 
1 1 1   28   15    9 o   11.508   2.6750   19.752   8.1115   28.006   10.161   5.2478   13.469   13.672   2.8589   8.5173   3.5489 5.154629 4.557165 
1 1 1   28   15   10 o   14.599   2.0452   30.359   7.7994   40.927   10.523   17.474   11.619   16.825   2.3962   10.739   3.5045 6.086406 4.245403 
1 1 1   28   15   11 o   11.475   2.5691   19.572   7.7213   21.736   10.399   16.913   11.527   11.878   3.1914   10.580   3.4924 1.297930 4.730997 
1 1 1   28   15   12 o   40.392   1.0058  221.537   10.912  220.783   15.148  222.349   15.731   40.114   1.4059   40.225   1.4560 -0.1110306 2.024024 
1 1 1   28   15   13 o   16.953   1.8097   40.425   8.1130   32.551   10.682   51.157   12.471   14.737   2.8011   18.708   2.5482 -3.971098 3.786750 
1 1 1   28   15   14 o   16.261   1.9946   37.638   8.5286   54.674   12.181   21.257   11.945   19.422   2.3852   11.601   3.5233 7.820846 4.254746 
1 1 1   28   15   15 o   25.006   1.4485   86.401   9.6868   89.436   14.377   83.878   13.109   25.022   2.1604   24.315   2.0258 0.7071571 2.961591 
1 1 1   28   15   16 o   6.7309   2.7508   3.5477   7.8854  -3.1994   10.787   11.292   11.556   6.4651   2.9196   9.1521   3.4498 -2.687032 4.519402 
1 1 1   28   15   17 o   7.9057   2.9300   8.1532   8.2675   12.427   11.438   3.4773   11.964   9.3490   3.4500   7.7378   3.2909 1.611207 4.767895 
1 1 1   28   15   18 o   24.420   1.5527   83.146   10.131   61.909   15.915   97.614   13.137   20.037   3.0539   26.250   1.8755 -6.213459 3.583829 
1 1 1   28   15   19 o   6.6452   2.8202   2.1971   8.7537   6.9735   11.564  -4.2121   13.396   8.1860   3.3367   6.9920   3.1950 1.193972 4.619736 
1 1 1   28   15   20 o   8.6382   3.0161   11.066   8.6092   13.540   12.390   8.7569   11.971   9.5382   3.5766   8.5428   3.4260 0.9954157 4.952758 
1 1 1   28   15   21 o   24.439   1.6598   84.289   10.831  109.144   18.751   71.846   13.267   26.889   2.6301   22.100   2.2673 4.788893 3.472448 
1 1 1   28   15   22 o   6.1653   2.8098  -3.2479   10.275   0.3161   17.751  -5.0437   12.600   8.2524   3.7343   6.5947   3.0445 1.657648 4.818066 
1 1 1   28   15   23 f   9.2195   3.3473   13.374   10.704  -7.1979   17.754   25.120   13.416   7.4908   3.5101   11.899   3.7548 -4.408123 5.139973 
1 1 1   28   15   24 o   7.2039   3.1191   2.9788   11.114   4.8778   17.848   1.7761   14.204   8.6052   3.8306   7.6594   3.4128 0.9457331 5.130377 
1 1 1   28   15   25 o   9.3253   3.8245   13.130   15.309 -26.4000   27.221   31.416   18.515   7.7236   3.7939   12.393   4.4144 -4.669625 5.820733 
1 1 1   28   15   26 o   7.1251   3.4294 -13.5119   19.357 -16.1600   25.333  -9.7960   30.008   7.8757   3.8226   8.7349   4.2205 -0.8591547 5.694270 
1 1 1   28   15   27 o   7.0815   3.3926 -10.7744   18.453  -1.0530   24.275 -24.0800   28.400   8.5485   4.0362   7.7842   3.8338 0.7642226 5.566792 
1 1 1   28   16  -23 o   8.4295   3.9865  -2.7660   23.852  -2.7660   23.852   0.0000   0.0000   8.4295   3.9865  ?   ?  0.000000 3.986456 
1 1 1   28   16  -22 o   12.391   4.2721   31.227   17.246   31.227   17.246   0.0000   0.0000   12.391   4.2721  ?   ?  0.000000 4.272081 
1 1 1   28   16  -21 o   5.6305   2.7752 -23.6704   14.976 -23.6704   14.976   0.0000   0.0000   5.6305   2.7752  ?   ?  0.000000 2.775165 
1 1 1   28   16  -20 o   7.9117   3.5801   0.7063   16.314   0.7063   16.314   0.0000   0.0000   7.9117   3.5801  ?   ?  0.000000 3.580065 
1 1 1   28   16  -19 o   7.7750   3.2325   6.1429   11.140   1.3496   15.707   10.994   15.802   7.9323   3.5577   9.2034   3.8401 -1.271101 5.234821 
1 1 1   28   16  -18 o   8.9608   3.4770   11.563   11.971   30.721   16.952  -7.4897   16.906   12.802   4.2358   7.3315   3.4321 5.470151 5.451744 
1 1 1   28   16  -17 o   19.781   2.5435   59.115   13.201   57.602   17.881   60.927   19.571   18.404   3.7447   18.627   4.0291 -0.2226315 5.500533 
1 1 1   28   16  -16 o   7.2652   3.1909   1.1582   11.991   13.358   16.077 -14.1352   18.001   9.7844   3.9539   7.1082   3.3905 2.676139 5.208566 
1 1 1   28   16  -15 f   10.066   3.8275   15.490   14.304   4.5390   26.247   20.116   17.060   9.9645   4.5218   11.034   4.1838 -1.069701 6.160414 
1 1 1   28   16  -14 o   8.7141   4.0054  -3.2833   21.476 -12.7800   26.363   15.450   37.027   8.7805   4.1637   11.757   5.3490 -2.976721 6.778496 
1 1 1   28   16  -13 o   8.3789   3.6058   4.3893   14.672   5.8360   23.859   3.5093   18.607   9.9376   4.4259   8.9569   3.9528 0.9806795 5.934075 
1 1 1   28   16  -12 o   9.2660   3.5844   11.498   12.691   6.2228   17.274   17.685   18.707   9.1077   3.9158   10.899   4.3114 -1.790780 5.824288 
1 1 1   28   16  -11 o   11.713   3.2692   21.846   10.677   21.846   10.677   0.0000   0.0000   11.713   3.2692  ?   ?  0.000000 3.269161 
1 1 1   28   16  -10 o   9.4780   2.9389   13.663   8.2583   17.610   9.8610   4.3927   15.112   10.610   3.1966   8.5486   3.6687 2.061162 4.865946 
1 1 1   28   16   -9 o   20.219   1.5821   56.973   8.5234   52.876   13.628   59.605   10.923   18.788   2.7851   20.458   2.0140 -1.670706 3.436989 
1 1 1   28   16   -8 o   20.066   1.4723   55.814   7.8796   69.497   11.290   42.819   11.002   22.174   1.9144   17.081   2.4699 5.093206 3.124932 
1 1 1   28   16   -7 o   14.868   2.0181   31.639   7.8509   35.140   11.091   28.124   11.115   15.276   2.8066   13.457   3.1336 1.818205 4.206670 
1 1 1   28   16   -6 f   12.017   2.4560   21.420   7.6593   35.282   11.213   9.2950   10.487   15.304   2.8322   8.6067   3.2762 6.697423 4.330669 
1 1 1   28   16   -5 o   13.501   2.2372   26.486   7.8285   36.737   11.526   17.708   10.666   15.621   2.8522   10.697   3.3438 4.924669 4.395030 
1 1 1   28   16   -4 o   34.257   1.1361  159.984   10.454  177.699   17.314  149.822   13.113   35.654   1.8140   32.980   1.4804 2.673927 2.341402 
1 1 1   28   16   -3 o   8.2254   2.8320   9.4507   7.5774   9.5629   11.121   9.3535   10.352   8.7873   3.3669   8.6167   3.2610 0.1706381 4.687210 
1 1 1   28   16   -2 o   18.167   1.9463   46.708   9.3491   46.518   13.469   46.886   12.987   17.575   2.9585   17.729   2.8219 -0.1544704 4.088497 
1 1 1   28   16   -1 o   28.836   1.1982  113.514   9.2805  108.301   13.598  118.060   12.697   27.814   1.8304   29.168   1.6272 -1.353724 2.449148 
1 1 1   28   16    0 o   17.430   2.0122   43.170   9.2468   40.907   15.837   44.341   11.390   15.950   3.7584   17.415   2.5073 -1.464922 4.517996 
1 1 1   28   16    1 o   25.082   1.3906   86.612   9.3314   80.520   14.412   91.009   12.244   23.690   2.2937   25.506   1.7989 -1.815924 2.914958 
1 1 1   28   16    2 o   30.766   1.1810  129.162   9.7592  140.023   13.926  118.680   13.681   31.764   1.6378   29.167   1.7545 2.597008 2.400151 
1 1 1   28   16    3 o   15.566   2.0336   34.581   8.2986   41.124   12.047   28.674   11.448   16.590   2.8035   13.599   3.1894 2.991196 4.246375 
1 1 1   28   16    4 o   18.854   1.7772   49.888   8.8936   56.187   12.421   43.261   12.740   19.687   2.3986   16.960   2.9011 2.726723 3.764250 
1 1 1   28   16    5 o   15.516   2.0348   34.400   8.2756   49.543   11.865   20.057   11.548   18.432   2.4580   11.299   3.4707 7.132385 4.252926 
1 1 1   28   16    6 f   16.271   2.1318   38.017   9.0924   43.243   13.631   33.829   12.204   16.786   3.1387   14.786   3.1683 2.000881 4.459821 
1 1 1   28   16    7 o   4.8141   2.2941  -9.3576   8.2007 -11.1539   10.529  -6.5869   13.076   5.4836   2.6093   6.7473   3.1102 -1.263699 4.059811 
1 1 1   28   16    8 o   15.280   2.2345   33.869   8.8996   38.604   11.681   27.315   13.741   16.005   2.8203   12.934   3.7420 3.070650 4.685811 
1 1 1   28   16    9 o   7.9556   2.8825   8.4569   7.9317   12.330   10.926   4.1413   11.533   9.3137   3.3818   7.7803   3.2659 1.533453 4.701354 
1 1 1   28   16   10 o   11.702   2.6820   20.807   8.2492   28.631   11.546   12.648   11.790   13.469   3.2327   9.4542   3.4999 4.014783 4.764443 
1 1 1   28   16   11 o   28.216   1.3132  109.437   9.9518  115.490   14.870  104.527   13.394   28.535   1.9519   27.220   1.8429 1.314995 2.684374 
1 1 1   28   16   12 o   17.491   1.9095   43.631   8.8250   65.455   12.319   20.622   12.649   21.279   2.1865   11.257   3.6557 10.02190 4.259704 
1 1 1   28   16   13 o   7.6153   2.8968   7.2064   8.1955   16.727   11.563  -2.4041   11.617   10.289   3.4994   6.7547   3.0420 3.534580 4.636754 
1 1 1   28   16   14 o   13.789   2.5673   28.757   9.1583   32.099   14.260   26.411   11.948   13.773   3.7527   12.687   3.4259 1.086089 5.081349 
1 1 1   28   16   15 f   13.280   2.6479   27.006   9.1135   40.649   14.085   17.182   11.952   15.777   3.4223   10.324   3.5566 5.453132 4.935801 
1 1 1   28   16   16 o   9.4824   3.1193   14.143   9.1981   14.818   14.401   13.677   11.954   9.8939   3.8208   9.4916   3.5222 0.4022465 5.196579 
1 1 1   28   16   17 o   23.042   1.7018   75.265   10.458   73.824   13.292   77.605   16.942   22.398   2.2395   22.353   2.8896 0.4553032E-01 3.655798 
1 1 1   28   16   18 o   17.398   2.0697   44.313   9.4820   47.433   13.011   40.779   13.847   17.372   2.8900   15.655   3.3913 1.717352 4.455632 
1 1 1   28   16   19 o   15.252   2.5695   35.825   10.152   29.695   13.235   44.588   15.824   13.013   3.6425   15.949   3.7559 -2.935600 5.232129 
1 1 1   28   16   20 o   11.101   3.8288   22.221   13.854   14.745   17.422   35.076   22.846   9.8073   4.0570   12.752   4.8400 -2.945028 6.315452 
1 1 1   28   16   21 o   15.505   3.3685   41.008   13.627   25.506   18.200   60.787   20.557   11.395   4.3211   17.710   4.3526 -6.314381 6.133307 
1 1 1   28   16   22 o   9.1013   3.6418   12.969   13.494   23.386   19.096   2.5798   19.071   10.900   4.3420   8.3738   3.8209 2.526040 5.783812 
1 1 1   28   16   23 o   6.9708   3.1504   0.0257   12.589   15.028   16.813 -19.1140   18.991   9.5234   3.9663   6.6727   3.2545 2.850668 5.130625 
1 1 1   28   16   24 o   13.349   3.8712   34.684   14.689   30.870   24.682   36.776   18.279   11.353   4.7723   12.973   4.3999 -1.619986 6.491030 
1 1 1   28   16   25 o   8.4273   3.7850   7.2924   17.844   33.490   22.972 -32.5700   28.336   11.587   4.7106   7.3015   3.6364 4.285587 5.950894 
1 1 1   28   17  -21 o   10.338   4.6090   23.350   25.944   23.350   25.944   0.0000   0.0000   10.338   4.6090  ?   ?  0.000000 4.609009 
1 1 1   28   17  -20 o   12.319   4.2298   32.294   16.899   32.294   16.899   0.0000   0.0000   12.319   4.2298  ?   ?  0.000000 4.229849 
1 1 1   28   17  -19 f   10.317   4.4004   20.540   21.503   20.540   21.503   0.0000   0.0000   10.317   4.4004  ?   ?  0.000000 4.400379 
1 1 1   28   17  -18 o   7.5349   3.3325   3.2064   13.296   0.2631   15.839   10.230   24.468   7.6253   3.4805   9.5247   4.3390 -1.899441 5.562446 
1 1 1   28   17  -17 o   5.3356   2.5891 -14.3717   11.604 -21.1406   15.954  -6.7678   16.909   5.9847   2.9326   7.2081   3.3927 -1.223385 4.484492 
1 1 1   28   17  -16 o   19.418   3.1335   61.934   15.786   54.310   28.032   65.474   19.104   14.695   5.4045   19.111   3.8548 -4.415091 6.638408 
1 1 1   28   17  -15 o   8.7778   3.6479   9.8948   14.179   4.6034   18.002   18.540   23.011   8.5775   3.8305   10.552   4.5277 -1.974626 5.930705 
1 1 1   28   17  -14 o   19.122   2.5759   56.150   12.893   43.284   17.789   70.388   18.714   15.121   4.2197   20.383   3.5470 -5.262503 5.512440 
1 1 1   28   17  -13 o   7.4161   3.3644  -1.2841   14.517 -30.5700   24.199   15.181   18.145   7.2194   3.5524   10.025   4.1431 -2.805448 5.457556 
1 1 1   28   17  -12 o   24.496   2.5228   90.659   16.362  100.500   26.990   84.942   20.573   23.307   4.4741   22.626   3.4981 0.6812725 5.679267 
1 1 1   28   17  -11 o   8.4239   3.4561   8.1641   12.509  -0.6046   17.157   18.113   18.275   8.0611   3.6573   10.577   4.2361 -2.515412 5.596420 
1 1 1   28   17  -10 f   10.611   3.6146   18.784   12.337   15.336   17.217   22.423   17.687   10.138   4.0935   11.312   4.2669 -1.173899 5.913009 
1 1 1   28   17   -9 o   14.262   3.3079   33.275   12.426   40.425   13.252 -18.7400   35.745   15.834   3.2257   9.4892   4.5901 6.344617 5.610174 
1 1 1   28   17   -8 o   21.462   1.8332   65.668   10.466   67.383   11.671   58.630   23.645   21.599   2.0359   17.346   4.8734 4.252874 5.281611 
1 1 1   28   17   -7 o   12.692   2.6060   24.644   8.5864   26.169   10.830   22.063   14.090   12.738   3.1762   11.401   3.8629 1.337388 5.001063 
1 1 1   28   17   -6 o   7.3754   2.8817   6.3002   8.2664   8.8055   10.501   2.2171   13.405   8.3366   3.2505   7.7708   3.3943 0.5657315 4.699687 
1 1 1   28   17   -5 o   11.945   3.0026   22.591   9.6227   17.688   13.311   27.956   13.926   10.497   3.7426   12.813   3.7847 -2.315734 5.322719 
1 1 1   28   17   -4 o   38.961   1.1188  207.763   11.708  209.979   15.561  204.872   17.774   38.886   1.4899   38.189   1.7328 0.6967354 2.285239 
1 1 1   28   17   -3 o   10.374   3.1429   17.069   9.5131   8.7909   11.395   36.111   17.283   8.5018   3.3644   14.261   4.2171 -5.759619 5.394751 
1 1 1   28   17   -2 o   13.518   2.5652   27.615   8.9730   29.451   11.680   24.971   14.017   13.544   3.2518   12.146   3.8386 1.397751 5.030775 
1 1 1   28   17   -1 o   12.879   2.7879   25.587   9.3643   31.609   14.568   21.348   12.224   13.646   3.8224   11.393   3.5827 2.252576 5.238935 
1 1 1   28   17    0 o   9.9306   2.9466   15.382   8.4264   23.185   11.632   6.7660   12.223   11.906   3.4426   8.2783   3.4088 3.627524 4.844697 
1 1 1   28   17    1 o   16.664   2.0590   40.130   9.0197   50.502   12.122   27.263   13.501   18.418   2.5162   12.740   3.7160 5.677699 4.487750 
1 1 1   28   17    2 o   24.027   1.6110   80.870   10.336   82.869   15.725   79.349   13.716   23.647   2.5144   23.382   2.2101 0.2643394 3.347679 
1 1 1   28   17    3 o   16.366   2.0543   38.737   8.8312   38.967   12.094   38.475   12.925   15.852   2.9492   15.570   3.1977 0.2815609 4.350126 
1 1 1   28   17    4 o   18.181   1.9835   47.509   9.5287   39.655   12.269   59.445   15.126   15.970   2.9696   19.631   2.9607 -3.660656 4.193362 
1 1 1   28   17    5 o   17.999   2.2074   47.320   10.448   57.559   14.545   36.405   15.017   19.360   2.8854   14.645   3.7890 4.714499 4.762557 
1 1 1   28   17    6 o   19.886   1.8761   56.466   9.9024   75.520   12.148   18.742   17.094   22.936   1.9918   10.819   4.1670 12.11673 4.618607 
1 1 1   28   17    7 o   12.623   2.7084   24.606   8.9079   31.891   11.541   13.869   14.010   14.136   3.1229   9.7328   3.7658 4.403495 4.892207 
1 1 1   28   17    8 o   7.0289   2.8893   4.3172   8.7633   16.178   11.394 -12.8610   13.712   10.051   3.4720   6.1903   2.9544 3.861072 4.558864 
1 1 1   28   17    9 o   9.6516   3.2271   14.769   9.8318   13.875   12.441   16.256   16.045   9.5598   3.5841   10.246   4.0117 -0.6864347 5.379532 
1 1 1   28   17   10 f   12.165   2.9801   23.684   9.6600   20.413   11.802   30.325   16.814   11.025   3.5263   12.853   4.2169 -1.827576 5.496995 
1 1 1   28   17   11 o   7.7881   3.0560   7.5348   9.3274   10.603   11.532   1.7308   15.861   8.7490   3.4078   8.0845   3.6041 0.6644430 4.960062 
1 1 1   28   17   12 o   17.314   2.1604   44.209   9.8277   36.373   12.553   56.615   15.796   14.893   3.2312   18.637   3.2750 -3.744190 4.600692 
1 1 1   28   17   13 o   20.807   1.8441   62.307   10.199   68.853   13.279   52.889   15.927   21.456   2.3422   17.763   3.4626 3.693424 4.180390 
1 1 1   28   17   14 o   6.9527   3.0008   2.5643   10.222   0.7264   14.138   4.5775   14.797   7.5417   3.3794   8.1455   3.5618 -0.6037917 4.909862 
1 1 1   28   17   15 o   9.0716   3.4015   12.944   11.206   18.810   17.492   8.8598   14.594   10.400   4.1516   8.6689   3.6582 1.731086 5.533392 
1 1 1   28   17   16 o   5.5883   2.6240  -6.6976   10.009  -7.7719   12.234  -4.5221   17.409   6.1109   2.8792   7.5380   3.5136 -1.427097 4.542648 
1 1 1   28   17   17 o   8.1617   3.2552   9.2118   10.745   14.632   14.280   2.1377   16.313   9.4570   3.7587   7.9551   3.5916 1.501853 5.198808 
1 1 1   28   17   18 o   7.3082   3.2803   1.3116   13.382   34.360   23.106 -15.3668   16.415   12.180   4.8002   6.4211   3.1071 5.759360 5.718020 
1 1 1   28   17   19 f   5.6594   2.7635 -17.3499   13.804 -14.2228   16.706 -24.0800   24.508   6.5186   3.1495   7.2830   3.5820 -0.7644310 4.769707 
1 1 1   28   17   20 o   5.9416   2.8413  -9.9547   12.813  -1.4940   17.689 -19.2935   18.584   7.6279   3.5509   6.5196   3.1884 1.108209 4.772288 
1 1 1   28   17   21 o   21.879   2.6062   76.669   15.014   75.045   19.706   78.917   23.182   19.957   3.8153   19.212   4.5606 0.7448177 5.946036 
1 1 1   28   17   22 o   6.0622   2.8691  -6.6606   12.400  -9.0435   15.488  -2.4066   20.694   6.5110   3.1163   7.7962   3.6946 -1.285194 4.833431 
1 1 1   28   18  -18 o   12.820   4.2077   36.736   16.741   36.736   16.741   0.0000   0.0000   12.820   4.2077  ?   ?  0.000000 4.207733 
1 1 1   28   18  -17 o   8.5960   3.7547   10.652   16.402   10.652   16.402   0.0000   0.0000   8.5960   3.7547  ?   ?  0.000000 3.754695 
1 1 1   28   18  -16 o   20.428   2.4746   65.952   13.300   92.193   19.373   42.556   18.292   23.078   3.2125   13.867   4.3854 9.211170 5.436129 
1 1 1   28   18  -15 o   9.1538   3.5269   14.665   12.249   37.488   17.425  -7.6296   17.222   13.190   4.2912   7.0208   3.3398 6.169509 5.437651 
1 1 1   28   18  -14 o   13.336   3.3764   31.793   12.106   31.206   16.899   32.412   17.351   12.146   4.2265   12.307   4.2826 -0.1608553 6.016973 
1 1 1   28   18  -13 o   25.572   2.0065   96.954   13.670  107.246   19.299   86.590   19.367   25.748   2.8378   22.482   3.3059 3.265390 4.356809 
1 1 1   28   18  -12 f   14.102   3.7408   36.887   14.402   51.340   25.088   29.783   17.589   14.353   5.1358   11.955   4.2979 2.398295 6.696924 
1 1 1   28   18  -11 o   9.3921   3.5186   14.925   11.986 -10.0714   16.544   42.535   17.388   6.8439   3.2605   14.653   4.2008 -7.808748 5.317713 
1 1 1   28   18  -10 o   9.3125   3.6982   13.958   13.813   22.830   22.089   8.2614   17.701   10.828   4.5309   8.8283   3.8771 1.999354 5.963312 
1 1 1   28   18   -9 o   17.430   2.8169   48.484   12.738   56.647   17.204   38.581   18.949   17.879   3.7044   13.645   4.4766 4.233644 5.810556 
1 1 1   28   18   -8 o   12.411   3.9350   28.952   14.721   33.426   17.806   19.290   26.166   12.891   4.3426   10.650   4.6945 2.240291 6.395040 
1 1 1   28   18   -7 o   6.7872   3.2243 -10.2818   15.947 -10.2818   15.947   0.0000   0.0000   6.7872   3.2243  ?   ?  0.000000 3.224290 
1 1 1   28   18   -6 o   7.0325   3.0125   3.2854   10.156   10.178   11.248 -27.1300   23.629   8.4960   3.3488   7.2105   3.5405 1.285462 4.873331 
1 1 1   28   18   -5 o   9.9917   3.2344   16.676   9.9062   19.510   11.645   9.2516   18.846   10.621   3.5105   9.2242   4.0270 1.396423 5.342302 
1 1 1   28   18   -4 o   7.2076   2.9649   5.2227   9.2360   6.3767   11.179   2.7409   16.394   7.7936   3.2390   8.1677   3.6509 -0.3741274 4.880603 
1 1 1   28   18   -3 o   5.4626   2.5510  -5.9465   9.2458 -12.5347   12.525   1.9412   13.705   5.8017   2.7836   7.6067   3.3729 -1.805074 4.373188 
1 1 1   28   18   -2 o   9.3231   3.0716   14.034   8.9175   15.423   11.526   11.964   14.074   9.6869   3.4796   9.1598   3.7002 0.5270128 5.079265 
1 1 1   28   18   -1 o   22.690   1.6126   72.988   9.7637   98.141   12.832   38.403   15.047   26.123   1.8406   14.696   3.7880 11.42748 4.211552 
1 1 1   28   18    0 f   9.2818   3.1844   13.868   9.5764   35.398   13.349  -8.9631   13.746   14.376   3.4918   6.4413   3.0401 7.934960 4.629750 
1 1 1   28   18    1 o   12.494   2.9859   25.391   9.8830   14.212   13.710   37.485   14.260   9.5359   3.7153   14.665   3.6378 -5.128872 5.199718 
1 1 1   28   18    2 o   5.3774   2.5032  -5.4104   8.7899 -14.5986   11.425   7.9174   13.760   5.3180   2.5779   8.4669   3.5614 -3.148954 4.396474 
1 1 1   28   18    3 o   6.9185   3.0120   1.9887   10.478   24.206   16.595 -12.7400   13.512   11.403   4.1636   6.0490   2.8993 5.354049 5.073650 
1 1 1   28   18    4 o   30.182   1.4746  127.695   11.955  159.298   17.379   99.313   16.470   33.137   1.9614   25.651   2.4191 7.485914 3.114324 
1 1 1   28   18    5 o   9.5829   3.2448   15.141   9.9414   22.545   11.800  -2.9675   18.454   11.366   3.5112   7.9187   3.6658 3.446913 5.076103 
1 1 1   28   18    6 o   15.114   2.6276   35.639   10.280   33.378   12.491   40.384   18.094   13.996   3.3644   14.343   4.3320 -0.3470602 5.484990 
1 1 1   28   18    7 o   7.5362   3.0613   6.5812   9.6921   11.396   13.076   0.7117   14.438   8.8922   3.5755   7.5446   3.3951 1.347538 4.930638 
1 1 1   28   18    8 o   26.916   1.6445  103.262   11.832  101.910   14.083  106.507   21.816   26.377   2.0028   25.308   3.2870 1.068913 3.849141 
1 1 1   28   18    9 o   24.462   1.7642   86.203   11.513   90.742   13.674   75.150   21.340   24.787   2.0730   20.149   4.0831 4.637680 4.579186 
1 1 1   28   18   10 o   9.1514   3.1938   13.861   9.6532   27.218   12.890  -3.1990   14.567   12.217   3.6488   7.0786   3.2699 5.138166 4.899576 
1 1 1   28   18   11 o   6.1018   2.7343  -0.6741   9.2573  -8.8604   12.051   11.111   14.459   5.9160   2.8082   8.8461   3.6806 -2.930060 4.629611 
1 1 1   28   18   12 f   8.9359   3.1600   13.255   9.4712   8.0442   12.464   20.377   14.570   8.1022   3.3978   10.418   3.8840 -2.315869 5.160470 
1 1 1   28   18   13 o   4.8842   2.3827 -14.2387   10.192  -6.0329   14.823 -21.5962   14.036   6.7763   3.1855   5.4494   2.6860 1.326968 4.166782 
1 1 1   28   18   14 o   10.854   3.6088   22.123   12.299   29.866   14.982   6.1188   21.539   12.197   3.9795   8.7725   4.0245 3.424677 5.659717 
1 1 1   28   18   15 o   18.899   2.6691   57.492   13.171   64.583   19.617   51.670   17.774   18.060   4.1333   16.080   4.1022 1.980484 5.823395 
1 1 1   28   18   16 o   19.182   2.8348   60.794   14.165   48.645   19.060   75.782   21.171   14.866   4.4363   19.448   4.1776 -4.581158 6.093680 
1 1 1   28   18   17 o   16.203   3.2907   46.788   13.832   41.172   17.830   55.279   21.923   13.575   4.3334   15.026   4.8061 -1.450658 6.471250 
1 1 1   28   18   18 o   6.2823   2.9478  -4.4832   12.594   4.0751   15.693 -19.9668   21.108   7.6920   3.4928   6.7434   3.3180 0.9486561 4.817603 
1 1 1   28   19  -13 o   5.8689   2.7977  -7.5055   12.221 -15.8921   16.390   2.9961   18.340   6.1222   2.9941   7.7992   3.6257 -1.677062 4.702129 
1 1 1   28   19  -12 f   8.9162   3.5058   14.631   12.299  -2.4653   17.312   32.054   17.477   7.2597   3.4219   11.672   4.2712 -4.412588 5.472853 
1 1 1   28   19  -11 o   6.3147   2.9305  -2.7636   11.901   10.623   16.636 -16.7964   17.033   8.5378   3.7539   6.2446   3.0536 2.293192 4.839013 
1 1 1   28   19  -10 o   7.4678   3.3176   4.4914   13.321 -15.7800   21.603   16.929   16.921   7.0692   3.4530   9.4238   3.9559 -2.354627 5.250948 
1 1 1   28   19   -9 o   12.902   3.8008   33.146   14.062   29.230   23.501   35.330   17.550   10.876   4.6188   12.521   4.3099 -1.644630 6.317325 
1 1 1   28   19   -8 o   7.6116   3.4124   3.9071   14.434 -12.4200   24.803   12.268   17.749   7.7214   3.7556   8.9427   3.9060 -1.221280 5.418611 
1 1 1   28   19   -7 o   7.9396   3.3381   8.2832   12.080   18.268   16.149  -4.4000   18.201   9.7574   3.9558   7.3958   3.4929 2.361597 5.277234 
1 1 1   28   19   -6 o   10.724   3.8258   22.773   13.912   14.183   16.170   47.250   27.296   9.1794   3.8609   12.874   5.1697 -3.694693 6.452271 
1 1 1   28   19   -5 o   17.308   3.2104   51.710   14.375   51.609   17.135   51.950   26.414   16.305   3.9535   13.711   5.2041 2.594607 6.535482 
1 1 1   28   19   -4 o   19.250   2.6564   59.414   13.369   71.795   18.319   45.307   19.554   20.024   3.5355   14.254   4.5368 5.769286 5.751730 
1 1 1   28   19   -3 o   13.214   3.1759   30.377   11.132   32.158   13.943   27.248   18.486   12.915   3.7791   11.215   4.3295 1.700207 5.746862 
1 1 1   28   19   -2 o   13.991   2.8132   32.229   10.205   33.428   12.200   29.436   18.623   13.719   3.3418   11.581   4.3759 2.137487 5.506023 
1 1 1   28   19   -1 o   11.871   2.8471   23.525   8.9609   22.166   11.923   25.289   13.584   10.909   3.5496   11.406   3.7927 -0.4969769 5.194591 
1 1 1   28   19    0 o   11.065   2.9459   20.805   8.9103   30.052   11.745   8.2650   13.677   12.978   3.3474   8.2002   3.5039 4.777413 4.845863 
1 1 1   28   19    1 o   22.936   1.8330   77.092   11.198   87.523   18.267   70.812   14.173   22.886   3.0475   21.199   2.5398 1.687080 3.967088 
1 1 1   28   19    2 o   7.7646   3.0676   8.6312   9.4588   13.009   13.859   4.8136   12.941   8.9545   3.6517   7.5993   3.3268 1.355206 4.939915 
1 1 1   28   19    3 o   12.017   3.0600   24.876   9.9033   32.684   12.623   12.376   15.971   13.395   3.4779   8.9752   3.8093 4.419590 5.158129 
1 1 1   28   19    4 o   13.490   2.6174   29.352   9.1417   33.008   12.561   25.235   13.329   13.477   3.4542   11.394   3.7554 2.082800 5.102381 
1 1 1   28   19    5 o   11.822   3.1281   24.450   10.087   36.245   14.578   13.618   13.970   13.665   3.8223   9.0187   3.6708 4.646629 5.299482 
1 1 1   28   19    6 o   22.392   1.8418   73.814   10.978   89.524   16.237   60.584   14.901   23.702   2.5928   18.960   3.0279 4.741650 3.986309 
1 1 1   28   19    7 o   7.5534   3.1060   7.4635   10.131   16.587   12.144 -13.4183   18.372   9.5085   3.5457   6.7845   3.2840 2.723999 4.832860 
1 1 1   28   19    8 o   5.5722   2.5695  -3.0777   8.9368   2.7511   11.885 -10.6611   13.557   7.0549   3.1339   6.0102   2.8869 1.044688 4.260979 
1 1 1   28   19    9 o   9.0293   3.2226   14.435   9.8719   8.7395   12.350   24.515   16.429   7.9924   3.3686   10.690   4.0931 -2.697130 5.300983 
1 1 1   28   19   10 o   6.2395   2.8107   0.0977   9.9245 -17.9098   13.783   19.490   14.303   5.5170   2.7079   9.8799   3.8099 -4.362993 4.674197 
1 1 1   28   19   11 o   8.6393   3.4480   12.957   12.062   14.105   17.380   11.890   16.754   9.0054   3.8998   8.7003   3.7977 0.3050833 5.443407 
1 1 1   28   19   12 f   6.4117   2.9969  -3.4018   12.803   8.0977   16.510 -20.7502   20.278   8.1824   3.6602   6.5502   3.2286 1.632197 4.880674 
1 1 1   28   19   13 o   7.1677   3.2116   3.6025   12.767   7.2720   15.823  -3.2414   21.610   7.9742   3.5740   7.6756   3.6757 0.2985568 5.126830 
1 1 1   28   20   -5 o   10.350   3.9061   24.282   14.827   29.113   17.671   12.790   27.253   10.793   4.2144   8.8796   4.2173 1.913330 5.962097 
1 1 1   28   20   -4 o   6.8705   3.2036  -0.7408   14.492   4.4450   16.853 -15.4600   28.393   7.6676   3.5332   7.5797   3.7516 0.8785725E-01 5.153447 
1 1 1   28   20   -3 o   8.1797   3.5421   10.611   14.337   2.9652   17.011   29.360   26.638   7.5599   3.5067   10.148   4.5848 -2.587648 5.772098 
1 1 1   28   20   -2 o   15.545   3.2996   44.756   13.351   39.392   18.403   50.716   19.398   12.525   4.4075   14.372   4.5121 -1.846354 6.307581 
1 1 1   28   20   -1 o   6.4703   2.9923  -1.0986   12.250   16.294   16.866 -20.5218   17.823   9.0421   3.8780   6.0768   3.0012 2.965295 4.903663 
1 1 1   28   20    0 o   8.9897   3.5393   15.729   12.550   27.245   17.086   2.2356   18.495   10.661   4.1493   7.6718   3.5909 2.989722 5.487374 
1 1 1   28   20    1 o   14.371   2.7913   35.360   10.386   18.538   12.411   74.661   18.970   9.5542   3.5802   19.423   3.7723 -9.868880 5.200780 
1 1 1   28   20    2 o   6.0955   2.8188  -1.8698   10.870   6.7256   13.841 -15.7042   17.559   7.6332   3.3868   6.2890   3.0806 1.344196 4.578284 
1 1 1   28   20    3 o   7.4750   3.0553   8.4367   9.7297   6.6357   14.018   10.111   13.515   7.6302   3.3958   8.0561   3.4637 -0.4258542 4.850693 
1 1 1   28   20    4 o   12.972   3.0279   30.270   10.358   43.847   15.812   20.065   13.709   14.265   3.9773   9.7054   3.7335 4.559937 5.455103 
1 1 1   28   20    5 o   7.6446   3.0493   9.4903   9.4295   25.804   12.790  -9.9328   13.956   11.038   3.6806   5.9786   2.8862 5.059784 4.677293 
1 1 1   29    0  -40 o   22.055   3.4345   72.673   18.876   72.673   18.876   72.673   18.876   22.055   3.4345   22.055   3.4345 0.000000 0.000000 
1 1 1   29    0  -39 o   8.2109   4.8258   12.556   18.016   12.556   18.016   12.556   18.016   8.2109   4.8258   8.2109   4.8258 0.000000 0.000000 
1 1 1   29    0  -38 o   13.724   3.9757   31.891   12.717   31.891   12.717   31.891   12.717   13.724   3.9757   13.724   3.9757 0.000000 0.000000 
1 1 1   29    0  -37 o   29.650   1.9036  120.792   15.016  120.792   15.016  120.792   15.016   29.650   1.9036   29.650   1.9036 0.000000 0.000000 
1 1 1   29    0  -36 o   7.5941   4.1814   11.495   12.356   11.495   12.356   11.495   12.356   7.5941   4.1814   7.5941   4.1814 0.000000 0.000000 
1 1 1   29    0  -35 o   11.260   4.3934   24.154   12.687   24.154   12.687   24.154   12.687   11.260   4.3934   11.260   4.3934 0.000000 0.000000 
1 1 1   29    0  -34 o   34.208   1.7148  159.567   15.666  159.567   15.666  159.567   15.666   34.208   1.7148   34.208   1.7148 0.000000 0.000000 
1 1 1   29    0  -33 o   5.1436   3.5700 -13.7477   17.241 -13.7477   17.241 -13.7477   17.241   5.1436   3.5700   5.1436   3.5700 0.000000 0.000000 
1 1 1   29    0  -32 o   21.032   2.4245   62.558   13.223   62.558   13.223   62.558   13.223   21.032   2.4245   21.032   2.4245 0.000000 0.000000 
1 1 1   29    0  -31 o   40.981   1.5796  227.895   17.329  227.895   17.329  227.895   17.329   40.981   1.5796   40.981   1.5796 0.000000 0.000000 
1 1 1   29    0  -30 o   25.452   2.0212   89.417   13.617   89.417   13.617   89.417   13.617   25.452   2.0212   25.452   2.0212 0.000000 0.000000 
1 1 1   29    0  -29 o   97.570   2.3655  1295.97   61.909  1295.97   61.909  1295.97   61.909   97.570   2.3655   97.570   2.3655 0.000000 0.000000 
1 1 1   29    0  -28 o   5.5684   3.5050   2.2944   11.038   2.2944   11.038   2.2944   11.038   5.5684   3.5050   5.5684   3.5050 0.000000 0.000000 
1 1 1   29    0  -27 o   28.073   1.8111  107.778   13.525  107.778   13.525  107.778   13.525   28.073   1.8111   28.073   1.8111 0.000000 0.000000 
1 1 1   29    0  -26 o   4.4028   2.9823  -5.0846   10.475  -5.0846   10.475  -5.0846   10.475   4.4028   2.9823   4.4028   2.9823 0.000000 0.000000 
1 1 1   29    0  -25 o   20.314   2.2928   57.951   12.100   57.951   12.100   57.951   12.100   20.314   2.2928   20.314   2.2928 0.000000 0.000000 
1 1 1   29    0  -24 f   10.026   4.1162   19.233   10.951   19.233   10.951   19.233   10.951   10.026   4.1162   10.026   4.1162 0.000000 0.000000 
1 1 1   29    0  -23 f   48.008   1.3993  311.192   18.009  311.192   18.009  311.192   18.009   48.008   1.3993   48.008   1.3993 0.000000 0.000000 
1 1 1   29    0  -22 o   12.783   3.6807   27.060   10.960   27.060   10.960   27.060   10.960   12.783   3.6807   12.783   3.6807 0.000000 0.000000 
1 1 1   29    0  -21 o   13.453   3.5519   29.151   11.089   29.151   11.089   29.151   11.089   13.453   3.5519   13.453   3.5519 0.000000 0.000000 
1 1 1   29    0  -20 o   8.9808   4.6872   16.241   14.792   16.241   14.792   16.241   14.792   8.9808   4.6872   8.9808   4.6872 0.000000 0.000000 
1 1 1   29    0  -19 o   5.3953   3.3844   2.1991   10.192   2.1991   10.192   2.1991   10.192   5.3953   3.3844   5.3953   3.3844 0.000000 0.000000 
1 1 1   29    0  -18 o   33.471   1.5510  151.844   13.875  151.844   13.875  151.844   13.875   33.471   1.5510   33.471   1.5510 0.000000 0.000000 
1 1 1   29    0  -17 o   70.620   1.4304  672.160   27.107  672.160   27.107  672.160   27.107   70.620   1.4304   70.620   1.4304 0.000000 0.000000 
1 1 1   29    0  -16 o   30.390   1.6074  125.416   13.036  125.416   13.036  125.416   13.036   30.390   1.6074   30.390   1.6074 0.000000 0.000000 
1 1 1   29    0  -15 o   5.0410   3.2795  -0.7589   10.699  -0.7589   10.699  -0.7589   10.699   5.0410   3.2795   5.0410   3.2795 0.000000 0.000000 
1 1 1   29    0  -14 o   5.3393   3.5999  -6.4739   14.924  -6.4739   14.924  -6.4739   14.924   5.3393   3.5999   5.3393   3.5999 0.000000 0.000000 
1 1 1   29    0  -13 o   34.134   1.6841  158.038   15.355  158.038   15.355  158.038   15.355   34.134   1.6841   34.134   1.6841 0.000000 0.000000 
1 1 1   29    0  -12 o   19.932   2.1267   55.364   11.059   55.364   11.059   55.364   11.059   19.932   2.1267   19.932   2.1267 0.000000 0.000000 
1 1 1   29    0  -11 o   83.072   1.2975  928.847   28.934  928.847   28.934  928.847   28.934   83.072   1.2975   83.072   1.2975 0.000000 0.000000 
1 1 1   29    0  -10 o   27.073   1.2690   99.214   9.1813   99.214   9.1813   99.214   9.1813   27.073   1.2690   27.073   1.2690 0.000000 0.000000 
1 1 1   29    0   -9 o   31.257   1.1371  131.867   9.5176  131.867   9.5176  131.867   9.5176   31.257   1.1371   31.257   1.1371 0.000000 0.000000 
1 1 1   29    0   -8 o   17.968   1.7899   44.741   8.4414   44.741   8.4414   44.741   8.4414   17.968   1.7899   17.968   1.7899 0.000000 0.000000 
1 1 1   29    0   -7 o   83.224   1.1987  931.784   26.783  931.784   26.783  931.784   26.783   83.224   1.1987   83.224   1.1987 0.000000 0.000000 
1 1 1   29    0   -6 o   18.302   1.8071   46.395   8.6849   46.395   8.6849   46.395   8.6849   18.302   1.8071   18.302   1.8071 0.000000 0.000000 
1 1 1   29    0   -5 o   6.2971   3.6319   6.7134   9.8998   6.7134   9.8998   6.7134   9.8998   6.2971   3.6319   6.2971   3.6319 0.000000 0.000000 
1 1 1   29    0   -4 o   56.579   1.0619  430.713   16.124  430.713   16.124  430.713   16.124   56.579   1.0619   56.579   1.0619 0.000000 0.000000 
1 1 1   29    0   -3 o   62.396   1.0762  523.741   18.025  523.741   18.025  523.741   18.025   62.396   1.0762   62.396   1.0762 0.000000 0.000000 
1 1 1   29    0   -2 f   29.355   1.2057  116.424   9.4698  116.424   9.4698  116.424   9.4698   29.355   1.2057   29.355   1.2057 0.000000 0.000000 
1 1 1   29    0   -1 o   32.271   1.1729  140.546   10.136  140.546   10.136  140.546   10.136   32.271   1.1729   32.271   1.1729 0.000000 0.000000 
1 1 1   29    0    0 o   34.840   1.2620  163.829   11.774  163.829   11.774  163.829   11.774   34.840   1.2620   34.840   1.2620 0.000000 0.000000 
1 1 1   29    0    1 o   25.423   1.3264   87.610   9.0005   87.610   9.0005   87.610   9.0005   25.423   1.3264   25.423   1.3264 0.000000 0.000000 
1 1 1   29    0    2 f   59.535   1.0743  476.852   17.166  476.852   17.166  476.852   17.166   59.535   1.0743   59.535   1.0743 0.000000 0.000000 
1 1 1   29    0    3 o   5.6150   3.2235   5.3971   7.7423   5.3971   7.7423   5.3971   7.7423   5.6150   3.2235   5.6150   3.2235 0.000000 0.000000 
1 1 1   29    0    4 o   48.352   1.3017  315.036   16.877  315.036   16.877  315.036   16.877   48.352   1.3017   48.352   1.3017 0.000000 0.000000 
1 1 1   29    0    5 o  113.327   1.7616  1729.98   53.591  1729.98   53.591  1729.98   53.591  113.327   1.7616  113.327   1.7616 0.000000 0.000000 
1 1 1   29    0    6 o   37.282   1.2382  187.496   12.368  187.496   12.368  187.496   12.368   37.282   1.2382   37.282   1.2382 0.000000 0.000000 
1 1 1   29    0    7 o   43.319   1.2147  252.895   14.108  252.895   14.108  252.895   14.108   43.319   1.2147   43.319   1.2147 0.000000 0.000000 
1 1 1   29    0    8 o   40.848   1.2544  224.996   13.734  224.996   13.734  224.996   13.734   40.848   1.2544   40.848   1.2544 0.000000 0.000000 
1 1 1   29    0    9 o   11.576   3.3649   22.131   9.0816   22.131   9.0816   22.131   9.0816   11.576   3.3649   11.576   3.3649 0.000000 0.000000 
1 1 1   29    0   10 o   45.198   1.1281  275.164   13.676  275.164   13.676  275.164   13.676   45.198   1.1281   45.198   1.1281 0.000000 0.000000 
1 1 1   29    0   11 o   56.580   1.2228  431.090   18.563  431.090   18.563  431.090   18.563   56.580   1.2228   56.580   1.2228 0.000000 0.000000 
1 1 1   29    0   12 o   36.189   1.5621  177.256   15.119  177.256   15.119  177.256   15.119   36.189   1.5621   36.189   1.5621 0.000000 0.000000 
1 1 1   29    0   13 o   32.671   1.4346  144.454   12.533  144.454   12.533  144.454   12.533   32.671   1.4346   32.671   1.4346 0.000000 0.000000 
1 1 1   29    0   14 o   49.885   1.2543  335.366   16.782  335.366   16.782  335.366   16.782   49.885   1.2543   49.885   1.2543 0.000000 0.000000 
1 1 1   29    0   15 o   3.2775   2.3135  -9.8226   8.1810  -9.8226   8.1810  -9.8226   8.1810   3.2775   2.3135   3.2775   2.3135 0.000000 0.000000 
1 1 1   29    0   16 o   13.817   2.8552   28.869   9.3536   28.869   9.3536   28.869   9.3536   13.817   2.8552   13.817   2.8552 0.000000 0.000000 
1 1 1   29    0   17 o   18.085   1.9672   45.647   9.2694   45.647   9.2694   45.647   9.2694   18.085   1.9672   18.085   1.9672 0.000000 0.000000 
1 1 1   29    0   18 o   5.0598   3.1450   2.3381   8.5988   2.3381   8.5988   2.3381   8.5988   5.0598   3.1450   5.0598   3.1450 0.000000 0.000000 
1 1 1   29    0   19 o   30.657   1.5049  127.479   12.324  127.479   12.324  127.479   12.324   30.657   1.5049   30.657   1.5049 0.000000 0.000000 
1 1 1   29    0   20 o   23.327   1.8147   74.698   11.211   74.698   11.211   74.698   11.211   23.327   1.8147   23.327   1.8147 0.000000 0.000000 
1 1 1   29    0   21 o   31.633   1.5152  135.714   12.806  135.714   12.806  135.714   12.806   31.633   1.5152   31.633   1.5152 0.000000 0.000000 
1 1 1   29    0   22 o   12.494   3.6970   26.084   10.789   26.084   10.789   26.084   10.789   12.494   3.6970   12.494   3.6970 0.000000 0.000000 
1 1 1   29    0   23 f   41.678   1.6074  235.187   17.933  235.187   17.933  235.187   17.933   41.678   1.6074   41.678   1.6074 0.000000 0.000000 
1 1 1   29    0   24 f   7.2970   3.8947   10.533   10.395   10.533   10.395   10.533   10.395   7.2970   3.8947   7.2970   3.8947 0.000000 0.000000 
1 1 1   29    0   25 o   35.845   1.3001  173.702   12.480  173.702   12.480  173.702   12.480   35.845   1.3001   35.845   1.3001 0.000000 0.000000 
1 1 1   29    0   26 o   28.057   1.5055  107.034   11.271  107.034   11.271  107.034   11.271   28.057   1.5055   28.057   1.5055 0.000000 0.000000 
1 1 1   29    0   27 o   6.7307   3.6619   8.8327   9.3543   8.8327   9.3543   8.8327   9.3543   6.7307   3.6619   6.7307   3.6619 0.000000 0.000000 
1 1 1   29    0   28 o   15.888   2.4675   36.615   9.7731   36.615   9.7731   36.615   9.7731   15.888   2.4675   15.888   2.4675 0.000000 0.000000 
1 1 1   29    0   29 o   11.748   3.8787   24.189   10.874   24.189   10.874   24.189   10.874   11.748   3.8787   11.748   3.8787 0.000000 0.000000 
1 1 1   29    0   30 o   41.261   1.2523  230.073   13.850  230.073   13.850  230.073   13.850   41.261   1.2523   41.261   1.2523 0.000000 0.000000 
1 1 1   29    0   31 o   6.0154   3.6207   5.2426   10.603   5.2426   10.603   5.2426   10.603   6.0154   3.6207   6.0154   3.6207 0.000000 0.000000 
1 1 1   29    0   32 o   4.5763   3.0130  -1.4937   9.4364  -1.4937   9.4364  -1.4937   9.4364   4.5763   3.0130   4.5763   3.0130 0.000000 0.000000 
1 1 1   29    0   33 o   4.5000   3.0297  -4.1383   10.501  -4.1383   10.501  -4.1383   10.501   4.5000   3.0297   4.5000   3.0297 0.000000 0.000000 
1 1 1   29    0   34 o   8.7241   3.8971   15.233   9.7065   15.233   9.7065   15.233   9.7065   8.7241   3.8971   8.7241   3.8971 0.000000 0.000000 
1 1 1   29    0   35 o   5.7554   3.4505   4.9490   9.5536   4.9490   9.5536   4.9490   9.5536   5.7554   3.4505   5.7554   3.4505 0.000000 0.000000 
1 1 1   29    0   36 o   14.241   3.0583   31.277   10.269   31.277   10.269   31.277   10.269   14.241   3.0583   14.241   3.0583 0.000000 0.000000 
1 1 1   29    0   37 o   4.2118   2.8964  -7.1795   10.720  -7.1795   10.720  -7.1795   10.720   4.2118   2.8964   4.2118   2.8964 0.000000 0.000000 
1 1 1   29    0   38 o   5.0532   3.3030  -0.7430   11.041  -0.7430   11.041  -0.7430   11.041   5.0532   3.3030   5.0532   3.3030 0.000000 0.000000 
1 1 1   29    0   39 o   22.794   1.9207   72.171   11.567   72.171   11.567   72.171   11.567   22.794   1.9207   22.794   1.9207 0.000000 0.000000 
1 1 1   29    0   40 o   31.117   1.8566  133.262   15.391  133.262   15.391  133.262   15.391   31.117   1.8566   31.117   1.8566 0.000000 0.000000 
1 1 1   29    0   41 o   12.120   4.2489   27.263   12.533   27.263   12.533   27.263   12.533   12.120   4.2489   12.120   4.2489 0.000000 0.000000 
1 1 1   29    0   42 o   7.2788   4.3917   9.3533   15.674   9.3533   15.674   9.3533   15.674   7.2788   4.3917   7.2788   4.3917 0.000000 0.000000 
1 1 1   29    0   43 o   11.798   4.9584   29.399   15.808   29.399   15.808   29.399   15.808   11.798   4.9584   11.798   4.9584 0.000000 0.000000 
1 1 1   29    0   44 o   11.187   4.4703   25.593   13.018   25.593   13.018   25.593   13.018   11.187   4.4703   11.187   4.4703 0.000000 0.000000 
1 1 1   29    0   45 o   10.809   4.4714   24.653   12.895   24.653   12.895   24.653   12.895   10.809   4.4714   10.809   4.4714 0.000000 0.000000 
1 1 1   29    0   46 o   4.6554   3.2320  -8.8995   14.153  -8.8995   14.153  -8.8995   14.153   4.6554   3.2320   4.6554   3.2320 0.000000 0.000000 
1 1 1   29    1  -39 f   35.452   1.7038  172.377   16.224  135.656   22.396  212.925   23.534   30.851   2.7310   39.042   2.2539 -8.190355 3.540925 
1 1 1   29    1  -38 o   46.391   1.5628  293.681   19.472  298.127   27.573  289.258   27.503   46.372   2.2138   45.658   2.2427 0.7138100 3.151279 
1 1 1   29    1  -37 o   16.893   2.1125   39.918   9.3756   61.756   13.459   19.334   13.067   20.944   2.4383   11.551   3.7122 9.393181 4.441409 
1 1 1   29    1  -36 o   6.1865   2.7212  -1.7288   8.7494 -14.7182   12.286   11.637   12.463   5.8923   2.8079   9.7701   3.6020 -3.877871 4.567157 
1 1 1   29    1  -35 o   38.011   1.1790  195.512   12.037  197.302   17.047  193.732   16.997   38.042   1.6684   37.692   1.6789 0.3492928 2.366955 
1 1 1   29    1  -34 o   9.4128   2.9740   12.398   8.4145   21.069   11.738   3.2323   12.069   11.987   3.4560   8.0898   3.3640 3.896966 4.822890 
1 1 1   29    1  -33 o   5.5668   2.5279  -4.4095   8.2208 -11.6996   11.590   2.9716   11.662   5.9506   2.8033   7.9355   3.3040 -1.984851 4.333006 
1 1 1   29    1  -32 o   23.943   2.1334   79.402   13.576   76.540   19.167   82.283   19.233   23.091   3.1744   24.010   3.0512 -0.9196777 4.402981 
1 1 1   29    1  -31 o   24.819   1.4457   83.885   9.5955   84.062   13.526   83.705   13.615   24.671   2.0600   24.612   2.0790 0.5903435E-01 2.926807 
1 1 1   29    1  -30 o   13.019   2.5672   24.263   8.6580   26.327   12.273   22.218   12.216   13.368   3.4078   12.312   3.5185 1.056107 4.898256 
1 1 1   29    1  -29 o   27.186   1.3503  100.125   9.8599   85.879   14.123  113.671   13.772   24.932   2.1294   28.819   1.7880 -3.887270 2.780545 
1 1 1   29    1  -28 o   11.583   3.5910   19.202   12.330   21.795   17.985   16.903   16.937   12.584   4.3612   11.550   4.2080 1.033468 6.060344 
1 1 1   29    1  -27 o   11.322   2.6968   18.441   8.0837   25.657   11.305   10.892   11.563   13.275   3.2067   9.5318   3.4763 3.742949 4.729459 
1 1 1   29    1  -26 o   18.916   1.6817   48.982   8.4549   61.730   11.984   36.350   11.930   21.139   2.1402   15.957   2.8898 5.181980 3.596085 
1 1 1   29    1  -25 o   27.639   1.2622  103.225   9.3700   99.213   13.028  107.526   13.487   26.950   1.8103   28.064   1.7987 -1.114019 2.551949 
1 1 1   29    1  -24 o   25.029   1.3420   84.934   8.9887   76.754   12.710   93.119   12.714   23.645   2.0206   26.110   1.8244 -2.464409 2.722408 
1 1 1   29    1  -23 f   34.167   1.0969  157.451   10.066  167.755   14.271  147.247   14.202   35.201   1.5094   32.962   1.6041 2.238918 2.202611 
1 1 1   29    1  -22 o   33.715   1.1047  153.288   10.003  153.912   14.020  152.641   14.278   33.715   1.5482   33.570   1.5835 0.1458435 2.214565 
1 1 1   29    1  -21 o   16.648   1.8160   38.059   7.9887   40.938   11.354   35.237   11.243   17.102   2.5497   15.790   2.7509 1.312303 3.750794 
1 1 1   29    1  -20 o   43.814   1.0060  258.644   11.838  243.121   16.417  275.461   17.087   42.407   1.4413   45.146   1.4091 -2.739052 2.015709 
1 1 1   29    1  -19 o   45.118   1.2748  274.762   15.449  274.153   24.824  275.146   19.736   44.886   2.0591   45.077   1.6301 -0.1913261 2.626213 
1 1 1   29    1  -18 o   13.410   2.7964   25.598   9.7460   33.512   12.635   13.971   15.315   15.298   3.1788   10.902   3.9969 4.396305 5.106831 
1 1 1   29    1  -17 o   22.039   1.3973   65.869   8.2287   58.627   11.442   73.627   11.843   20.659   2.0909   23.212   1.9167 -2.553085 2.836460 
1 1 1   29    1  -16 o   22.767   1.3808   70.250   8.4040   73.888   12.218   66.983   11.578   23.244   1.9759   22.125   1.9688 1.119133 2.789327 
1 1 1   29    1  -15 o   7.9146   2.8140   7.4828   7.5200   5.3420   10.366   9.8615   10.926   8.1326   3.2118   9.2582   3.3788 -1.125544 4.661796 
1 1 1   29    1  -14 o   16.995   1.8186   39.572   8.1723   47.408   11.696   32.096   11.424   18.493   2.4121   15.040   2.9333 3.453712 3.797698 
1 1 1   29    1  -13 o   48.209   1.2352  313.389   15.994  321.504   21.266  302.820   24.268   48.758   1.6239   47.256   1.9120 1.501522 2.508510 
1 1 1   29    1  -12 o   39.107   1.1399  206.075   11.973  204.963   14.726  208.245   20.569   38.967   1.4070   39.185   1.9543 -0.2181702 2.408074 
1 1 1   29    1  -11 o   28.464   0.8353  108.997   6.3859  102.402   9.8721  113.742   8.3737   27.552   1.3340   29.060   1.0728 -1.508339 1.711876 
1 1 1   29    1  -10 o   40.814   0.7907  224.054   8.6676  224.406   12.627  223.741   11.919   40.812   1.1519   40.758   1.0888 0.5346298E-01 1.585043 
1 1 1   29    1   -9 o   18.609   1.0937   46.799   5.4426   38.122   7.6504   55.691   7.7445   16.701   1.7306   20.265   1.4321 -3.563379 2.246274 
1 1 1   29    1   -8 o   67.104   0.7706  605.562   13.889  595.941   19.538  615.390   19.748   66.523   1.0935   67.600   1.0876 -1.077797 1.542288 
1 1 1   29    1   -7 o   34.422   0.8807  159.407   8.1423  156.741   12.086  161.622   11.018   34.096   1.3197   34.636   1.1844 -0.5399818 1.773234 
1 1 1   29    1   -6 o   20.142   1.0722   54.779   5.7799   47.105   8.2029   62.346   8.1455   18.599   1.6595   21.452   1.4218 -2.852543 2.185232 
1 1 1   29    1   -5 o   5.3348   2.1999   1.1478   5.0998  -0.5016   7.1674   2.8391   7.2578   5.8618   2.5214   6.6297   2.6645 -0.7678471 3.668369 
1 1 1   29    1   -4 o   7.7843   2.3351   8.3147   5.2706   3.1293   7.4004   13.653   7.5083   6.7495   2.6983   9.8573   2.7381 -3.107785 3.844227 
1 1 1   29    1   -3 o   56.190   0.8275  424.624   12.488  424.531   17.791  424.715   17.533   56.141   1.1799   56.156   1.1624 -0.1455307E-01 1.656302 
1 1 1   29    1   -2 o   62.783   0.7673  530.003   12.939  530.697   18.400  529.324   18.198   62.784   1.0911   62.704   1.0805 0.7974625E-01 1.535629 
1 1 1   29    1   -1 o   55.990   0.8422  421.625   12.665  421.879   17.959  421.373   17.865   55.965   1.1948   55.932   1.1892 0.3282166E-01 1.685689 
1 1 1   29    1    0 o   34.319   0.8206  158.394   7.5638  160.950   10.720  155.859   10.674   34.571   1.1545   34.019   1.1682 0.5522041 1.642402 
1 1 1   29    1    1 o   57.741   0.7566  448.285   11.734  451.311   16.605  445.268   16.583   57.901   1.0677   57.512   1.0735 0.3896751 1.514094 
1 1 1   29    1    2 o   40.832   0.7728  224.182   8.4754  222.247   12.038  226.085   11.934   40.629   1.1032   40.980   1.0843 -0.3510895 1.546817 
1 1 1   29    1    3 o   29.696   0.8791  118.627   7.0116  119.044   9.9065  118.208   9.9254   29.724   1.2408   29.619   1.2476 0.1050797 1.759603 
1 1 1   29    1    4 o   14.299   1.6056   27.952   6.0599   19.348   8.5810   36.512   8.5590   11.677   2.7766   16.301   1.9967 -4.623138 3.419937 
1 1 1   29    1    5 o   26.851   0.9813   97.028   7.0768   94.817   10.560   98.830   9.5348   26.466   1.4916   27.077   1.3110 -0.6114769 1.985872 
1 1 1   29    1    6 o   49.562   0.8000  330.347   10.650  337.540   15.927  324.530   14.322   50.056   1.1846   49.094   1.0861 0.9620514 1.607197 
1 1 1   29    1    7 o   50.628   0.8044  344.737   10.938  350.686   16.331  339.896   14.730   51.019   1.1917   50.241   1.0916 0.7780266 1.616099 
1 1 1   29    1    8 o   16.982   1.4201   39.181   6.4179   39.351   9.4856   39.037   8.7158   16.898   2.1377   16.864   1.9609 0.3477859E-01 2.900819 
1 1 1   29    1    9 o   30.486   0.9440  125.078   7.7296  117.829   11.550  130.958   10.402   29.546   1.4554   31.170   1.2425 -1.623693 1.913650 
1 1 1   29    1   10 o   23.486   1.1222   74.306   7.0789   65.764   10.437   81.583   9.6334   21.973   1.7838   24.540   1.4683 -2.566473 2.310414 
1 1 1   29    1   11 o   57.054   0.9190  438.087   14.084  440.005   21.193  436.571   18.848   57.103   1.3818   56.907   1.2331 0.1956520 1.851978 
1 1 1   29    1   12 o   38.917   0.8371  203.766   8.7496  207.178   12.381  200.361   12.367   39.207   1.1757   38.555   1.1942 0.6526604 1.675834 
1 1 1   29    1   13 o   34.499   0.8823  160.170   8.1755  158.494   11.612  161.818   11.513   34.281   1.2611   34.642   1.2373 -0.3603439 1.766728 
1 1 1   29    1   14 o   11.742   1.9918   19.220   6.0571   16.814   8.5856   21.604   8.5468   10.874   2.8901   12.337   2.6578 -1.462639 3.926408 
1 1 1   29    1   15 o   39.728   0.8390  212.385   8.9524  209.463   12.701  215.270   12.620   39.413   1.1998   39.959   1.1759 -0.5458145 1.679956 
1 1 1   29    1   16 o   20.901   1.2547   59.145   7.0113   56.921   9.8601   61.419   9.9719   20.412   1.8175   21.218   1.7658 -0.8068314 2.534041 
1 1 1   29    1   17 o   30.112   0.9588  122.101   7.7546  122.755   11.083  121.474   10.854   30.150   1.3687   29.994   1.3472 0.1552162 1.920478 
1 1 1   29    1   18 o   30.674   0.9577  126.714   7.8906  123.963   11.183  129.441   11.135   30.295   1.3743   30.961   1.3390 -0.6667023 1.918809 
1 1 1   29    1   19 o   17.082   1.5603   39.806   7.0799   42.854   10.501   37.265   9.5865   17.583   2.2771   16.386   2.2366 1.196291 3.191733 
1 1 1   29    1   20 o   42.708   0.8848  245.569   10.149  255.731   15.292  237.568   13.568   43.518   1.3083   41.962   1.2039 1.556320 1.777881 
1 1 1   29    1   21 o   37.423   0.9310  188.618   9.3580  182.434   14.008  193.602   12.576   36.735   1.4197   37.873   1.2363 -1.138027 1.882563 
1 1 1   29    1   22 o   18.618   1.4886   47.195   7.3817   35.335   11.217   56.253   9.8035   15.808   2.7413   20.273   1.8198 -4.464454 3.290315 
1 1 1   29    1   23 f   52.416   0.9767  370.220   13.750  370.683   20.851  369.865   18.290   52.333   1.4834   52.322   1.3015 0.1088333E-01 1.973402 
1 1 1   29    1   24 o   22.056   1.3186   65.985   7.7759   74.007   11.943   60.081   10.245   23.238   1.9310   20.942   1.8400 2.295267 2.667282 
1 1 1   29    1   25 o   33.307   1.0188  149.582   9.1142  147.778   13.652  151.032   12.242   33.020   1.5393   33.414   1.3640 -0.3944855 2.056716 
1 1 1   29    1   26 o   14.322   1.8820   28.406   7.0645   29.496   10.243   27.416   9.7558   14.376   2.7531   13.857   2.7184 0.5195017 3.868997 
1 1 1   29    1   27 o   22.670   1.2616   69.710   7.6514   82.031   10.832   57.442   10.809   24.515   1.6548   20.412   1.9971 4.102751 2.593615 
1 1 1   29    1   28 o   15.288   1.7273   32.208   6.9685   27.370   9.6904   37.389   10.028   13.825   2.7064   16.324   2.3554 -2.498092 3.587872 
1 1 1   29    1   29 o   33.257   1.0070  149.260   8.9953  142.242   12.008  158.235   13.579   32.397   1.3800   34.146   1.4806 -1.749271 2.024011 
1 1 1   29    1   30 o   18.694   1.4373   47.689   7.1615   37.993   9.9333   58.185   10.334   16.454   2.3114   20.549   1.8938 -4.094860 2.988155 
1 1 1   29    1   31 o   16.386   1.7405   37.014   7.5433   33.491   9.9055   41.877   11.639   15.373   2.4836   17.189   2.6023 -1.815744 3.597270 
1 1 1   29    1   32 o   34.909   1.0793  164.660   10.120  167.228   14.278  162.067   14.346   35.077   1.5154   34.523   1.5471 0.5541649 2.165694 
1 1 1   29    1   33 o   30.370   1.1617  124.756   9.4758  123.018   13.089  126.670   13.736   30.012   1.6298   30.438   1.6868 -0.4255314 2.345556 
1 1 1   29    1   34 o   14.525   2.0022   29.445   7.6037   31.123   11.214   28.017   10.345   14.652   2.9516   13.911   2.8641 0.7403402 4.112789 
1 1 1   29    1   35 o   38.973   0.9936  205.085   10.401  192.877   14.533  217.904   14.892   37.686   1.4357   40.072   1.3837 -2.386276 1.993948 
1 1 1   29    1   36 o   37.584   0.9979  190.776   10.073  189.680   14.357  191.838   14.137   37.365   1.4306   37.586   1.4004 -0.2210007 2.001945 
1 1 1   29    1   37 o   15.724   1.8530   34.331   7.6756   21.309   10.724   48.009   10.991   12.009   3.2470   18.499   2.2590 -6.490006 3.955459 
1 1 1   29    1   38 o   37.226   1.0471  187.452   10.469  205.396   14.021  164.840   15.739   38.877   1.3427   34.710   1.6882 4.167477 2.157061 
1 1 1   29    1   39 f   31.660   1.3049  136.288   11.097  151.913   14.768  116.029   16.816   33.303   1.6510   28.819   2.1889 4.484203 2.741737 
1 1 1   29    1   40 o   28.148   1.4426  108.502   10.870  113.317   13.962  101.090   17.320   28.603   1.8269   26.691   2.4431 1.912144 3.050589 
1 1 1   29    1   41 o   11.696   2.8469   20.473   8.8586   41.774   12.519  -0.8898   12.537   16.816   2.8750   7.4082   3.2580 9.407938 4.345146 
1 1 1   29    1   42 o   7.2428   2.9295   4.3930   8.8344  -0.4048   12.183   9.7133   12.829   7.3326   3.2185   9.1550   3.5864 -1.822379 4.818846 
1 1 1   29    1   43 o   21.544   2.0354   65.871   11.639   69.790   16.448   61.942   16.472   21.608   2.9079   20.176   3.1418 1.432106 4.280977 
1 1 1   29    1   44 o   22.031   1.6941   68.008   9.9479   64.017   13.940   72.151   14.201   20.845   2.5425   22.234   2.4168 -1.389153 3.507895 
1 1 1   29    1   45 o   7.0014   2.9054   3.6761   8.9752   8.0025   12.681  -0.6664   12.705   8.5807   3.4955   7.2619   3.2323 1.318813 4.760892 
1 1 1   29    2  -38 f   10.005   3.5900   13.363   12.266   6.3955   17.417   20.221   17.278   9.6593   4.0310   11.910   4.2621 -2.250694 5.866428 
1 1 1   29    2  -37 o   25.052   2.1053   87.374   14.035   94.535   19.790   80.129   19.908   25.661   2.9235   23.427   3.2515 2.234581 4.372561 
1 1 1   29    2  -36 o   25.604   1.5014   89.574   10.280   86.029   14.440   93.216   14.638   24.854   2.1853   25.904   2.1226 -1.049837 3.046470 
1 1 1   29    2  -35 o   25.361   1.4759   87.770   10.010   78.851   13.984   97.143   14.336   23.797   2.2132   26.504   2.0293 -2.707165 3.002693 
1 1 1   29    2  -34 o   16.078   2.1519   36.196   9.0596   46.998   13.135   26.393   12.512   18.133   2.7860   13.330   3.4633 4.803120 4.444808 
1 1 1   29    2  -33 o   5.7614   2.5868  -3.3875   8.3274   9.1060   11.723 -16.1112   11.831   9.1129   3.4651   5.6204   2.6990 3.492494 4.392159 
1 1 1   29    2  -32 o   29.593   1.3095  118.712   10.409  145.068   15.022   94.372   14.436   32.560   1.7238   26.127   2.0742 6.432713 2.696982 
1 1 1   29    2  -31 f   18.964   2.3361   50.393   11.647   42.012   17.891   56.558   15.344   16.663   4.0394   19.869   2.9661 -3.205633 5.011479 
1 1 1   29    2  -30 o   47.263   1.2413  302.442   15.758  309.957   19.331  287.558   27.206   47.755   1.5071   45.681   2.2173 2.073772 2.681029 
1 1 1   29    2  -29 o   28.058   1.3116  106.666   9.8842  111.265   14.002  102.098   13.955   28.478   1.8403   27.250   1.9190 1.228586 2.658814 
1 1 1   29    2  -28 o   27.690   1.3230  103.875   9.8392  112.089   13.891   95.605   13.938   28.599   1.8179   26.352   1.9838 2.246897 2.690762 
1 1 1   29    2  -27 o   36.516   1.6157  181.326   15.846  166.077   22.012  197.730   22.830   34.620   2.3817   37.847   2.2561 -3.226627 3.280632 
1 1 1   29    2  -26 o   21.590   1.8445   64.016   10.593   80.786   18.429   55.740   12.946   23.903   2.9320   19.958   2.4676 3.944977 3.832184 
1 1 1   29    2  -25 o   34.821   1.1280  163.733   10.550  153.406   14.790  174.432   15.053   33.602   1.6387   35.850   1.5633 -2.247509 2.264815 
1 1 1   29    2  -24 o   32.868   1.1470  145.866   10.126  130.051   14.250  161.996   14.391   30.884   1.7248   34.560   1.5503 -3.676718 2.319121 
1 1 1   29    2  -23 o   21.597   1.4782   63.462   8.5228   56.449   12.064   70.449   12.042   20.181   2.2648   22.642   2.0007 -2.461229 3.021936 
1 1 1   29    2  -22 o   54.215   0.9931  396.198   14.462  379.250   20.327  413.571   20.580   52.938   1.4296   55.294   1.3857 -2.356281 1.990968 
1 1 1   29    2  -21 f   40.327   1.0324  219.247   11.183  218.448   15.907  220.027   15.724   40.174   1.4742   40.323   1.4519 -0.1496620 2.069102 
1 1 1   29    2  -20 o   21.416   1.4499   62.323   8.2908   62.544   11.825   62.108   11.627   21.320   2.0919   21.252   2.0630 0.6827927E-01 2.938017 
1 1 1   29    2  -19 o   14.487   2.0816   29.154   7.8669   26.489   11.448   31.539   10.829   13.552   3.1969   14.900   2.8089 -1.347890 4.255640 
1 1 1   29    2  -18 o   38.802   1.2234  203.191   12.750  204.320   22.067  202.625   15.621   38.660   2.1334   38.699   1.5029 -0.3937531E-01 2.609645 
1 1 1   29    2  -17 o   32.365   1.3016  141.440   11.314  146.514   16.172  136.576   15.835   32.801   1.8431   31.659   1.8706 1.142105 2.626050 
1 1 1   29    2  -16 o   17.576   2.7677   43.437   12.634   38.805   13.602   72.530   34.090   16.479   3.1885   21.737   5.7502 -5.258142 6.575050 
1 1 1   29    2  -15 o   20.070   1.5613   54.824   8.3500   48.324   11.826   61.285   11.791   18.655   2.4171   21.117   2.1070 -2.462435 3.206517 
1 1 1   29    2  -14 o   15.451   2.0601   33.019   8.3363   24.633   12.811   39.179   10.979   13.077   3.5542   16.746   2.5190 -3.668246 4.356363 
1 1 1   29    2  -13 o   12.236   2.4571   21.165   7.7948   6.8086   10.871   36.357   11.183   8.5658   3.3163   16.081   2.6836 -7.515436 4.266149 
1 1 1   29    2  -12 f   10.216   2.9493   14.696   8.5439   14.189   10.821   15.536   13.923   10.291   3.3832   11.022   3.8363 -0.7310104 5.114970 
1 1 1   29    2  -11 o   17.006   1.0768   39.122   4.8933   37.613   6.6920   40.857   7.1734   16.614   1.5164   17.314   1.5592 -0.7001801 2.174994 
1 1 1   29    2  -10 o   57.940   0.8569  451.755   13.335  440.339   20.879  459.620   17.329   57.116   1.3610   58.404   1.1047 -1.287651 1.752930 
1 1 1   29    2   -9 o   63.175   0.8232  536.964   13.968  513.541   21.294  554.652   18.505   61.701   1.2849   64.166   1.0737 -2.465084 1.674488 
1 1 1   29    2   -8 o   20.925   1.0770   59.138   6.0325   64.703   9.0587   54.704   8.0863   21.826   1.5554   20.066   1.5114 1.759623 2.168831 
1 1 1   29    2   -7 o   50.900   0.8345  348.560   11.408  353.686   16.407  343.762   15.873   51.225   1.1925   50.504   1.1702 0.7203522 1.670725 
1 1 1   29    2   -6 o   14.080   1.4537   27.048   5.4183   27.581   7.7953   26.549   7.5366   14.098   2.1245   13.833   2.0940 0.2655697 2.983040 
1 1 1   29    2   -5 o   16.736   1.2665   37.980   5.6509   34.140   7.9638   41.874   8.0197   15.758   1.9214   17.509   1.7278 -1.751640 2.584029 
1 1 1   29    2   -4 o   27.888   0.8918  104.655   6.6797  103.652   9.4929  105.638   9.4008   27.726   1.2747   27.992   1.2504 -0.2664356 1.785600 
1 1 1   29    2   -3 f   29.740   0.8659  119.002   6.9165  108.553   9.8262  129.262   9.7371   28.373   1.2894   30.972   1.1705 -2.599503 1.741431 
1 1 1   29    2   -2 o   40.192   0.8925  217.360   9.6343  212.689   13.744  221.873   13.509   39.716   1.2885   40.570   1.2397 -0.8544693 1.787991 
1 1 1   29    2   -1 o   22.043   1.2916   65.737   7.6135   69.606   10.514   61.471   11.039   22.617   1.7443   21.208   1.9601 1.409029 2.623860 
1 1 1   29    2    0 o   38.781   0.7900  202.284   8.2291  211.734   11.722  193.102   11.555   39.649   1.1007   37.860   1.1363 1.788300 1.582033 
1 1 1   29    2    1 o   21.904   1.0608   64.611   6.2407   56.914   8.7955   72.414   8.8563   20.459   1.6137   23.120   1.4333 -2.660372 2.158284 
1 1 1   29    2    2 o   54.316   0.7632  396.764   11.135  416.347   15.976  378.265   15.527   55.602   1.0698   52.995   1.0909 2.606754 1.527853 
1 1 1   29    2    3 f   40.842   0.8178  224.379   8.9713  220.206   13.165  227.997   12.258   40.420   1.2126   41.141   1.1093 -0.7208748 1.643484 
1 1 1   29    2    4 o   39.878   0.8243  213.924   8.8291  223.468   12.081  202.982   12.935   40.731   1.1043   38.803   1.2411 1.927170 1.661288 
1 1 1   29    2    5 o   35.095   0.8382  165.698   7.9009  168.473   11.303  163.046   11.049   35.356   1.1902   34.783   1.1826 0.5732574 1.677880 
1 1 1   29    2    6 o   23.301   1.0335   73.114   6.4684   70.239   9.1320   76.009   9.1634   22.755   1.5026   23.684   1.4475 -0.9281883 2.086369 
1 1 1   29    2    7 o   34.530   0.8900  160.454   8.2543  173.036   12.427  150.521   11.042   35.818   1.2917   33.413   1.2304 2.404774 1.783936 
1 1 1   29    2    8 o   22.624   1.1511   69.157   6.9717   75.326   10.357   64.047   9.4271   23.543   1.6484   21.702   1.6292 1.840157 2.317594 
1 1 1   29    2    9 o   7.1332   2.5003   6.1757   5.9192   9.2310   8.9401   3.7911   7.8983   8.7048   3.0710   7.0605   2.7988 1.644289 4.155067 
1 1 1   29    2   10 o   23.385   1.2065   73.928   7.5520   80.320   12.241   70.000   9.5960   24.265   1.8932   22.698   1.5839 1.566523 2.468417 
1 1 1   29    2   11 o   9.6048   2.7254   12.979   7.3566   20.672   11.137   7.0232   9.7987   12.034   3.3319   8.3509   3.1697 3.682629 4.598758 
1 1 1   29    2   12 f   14.417   1.7150   28.535   6.5106   40.934   9.8873   19.043   8.6509   17.208   2.1888   11.552   2.8141 5.655993 3.565110 
1 1 1   29    2   13 o   17.653   1.4413   42.381   6.7742   47.679   10.210   38.216   9.0540   18.613   2.0778   16.641   2.0704 1.971977 2.933231 
1 1 1   29    2   14 o   5.3811   2.3426  -1.0338   6.3381   4.4542   9.4280  -5.5594   8.5614   7.6713   3.0525   5.5829   2.5524 2.088397 3.978989 
1 1 1   29    2   15 o   24.190   1.1647   78.916   7.5674   89.581   10.782   68.562   10.623   25.683   1.5706   22.417   1.7790 3.265266 2.373087 
1 1 1   29    2   16 o   32.658   0.9300  143.623   8.1579  144.530   11.599  142.735   11.476   32.716   1.3199   32.513   1.3142 0.2029991 1.862612 
1 1 1   29    2   17 o   49.559   0.8185  330.555   10.895  324.871   15.514  336.086   15.303   49.075   1.1770   49.921   1.1413 -0.8464661 1.639484 
1 1 1   29    2   18 o   21.257   1.2594   61.213   7.1586   51.192   10.234   70.813   10.017   19.297   2.0038   22.803   1.6466 -3.506371 2.593501 
1 1 1   29    2   19 o   19.713   1.4100   52.801   7.4164   51.516   11.286   53.778   9.8393   19.305   2.2167   19.809   1.8715 -0.5033054 2.901048 
1 1 1   29    2   20 o   32.185   1.0032  139.604   8.6722  151.630   13.249  130.589   11.471   33.475   1.4736   31.081   1.3741 2.394062 2.014821 
1 1 1   29    2   21 f   12.596   2.1966   22.275   7.1611   26.370   11.002   19.264   9.4327   13.525   3.0956   11.575   3.0069 1.949270 4.315569 
1 1 1   29    2   22 o   54.734   0.9952  403.828   14.631  414.382   22.400  395.976   19.321   55.312   1.5078   54.121   1.3292 1.191151 2.009982 
1 1 1   29    2   23 o   62.940   0.8756  533.606   14.803  526.198   21.907  539.829   20.080   62.386   1.3074   63.228   1.1824 -0.8412743 1.762778 
1 1 1   29    2   24 o   25.300   1.2091   86.479   8.2163  101.262   12.627   75.624   10.820   27.238   1.7350   23.525   1.7244 3.712177 2.446203 
1 1 1   29    2   25 o   12.549   2.2627   22.239   7.3462   5.3706   10.915   36.205   9.9321   8.2197   3.2801   16.064   2.3734 -7.844384 4.048757 
1 1 1   29    2   26 o   29.549   1.1342  117.951   9.0020  116.103   13.913  119.281   11.807   29.138   1.7863   29.653   1.4824 -0.5155888 2.321288 
1 1 1   29    2   27 o   5.6773   2.4377  -0.1716   6.6786   2.4943   9.2027  -3.1378   9.7074   7.1374   2.9503   6.3374   2.8228 0.7999825 4.083139 
1 1 1   29    2   28 o   17.901   1.5053   43.820   7.1705   39.340   10.085   48.401   10.197   16.750   2.3026   18.678   2.0672 -1.928102 3.094378 
1 1 1   29    2   29 o   36.552   0.9955  180.344   9.7730  181.400   14.395  179.442   13.310   36.549   1.4664   36.379   1.3622 0.1702194 2.001508 
1 1 1   29    2   30 o   14.080   2.0004   27.693   7.3523   28.834   10.834   26.719   10.010   14.091   2.9569   13.588   2.8345 0.5027285 4.096031 
1 1 1   29    2   31 f   34.459   1.1955  160.693   11.065  153.195   14.431  171.391   17.237   33.543   1.6017   35.364   1.8208 -1.821476 2.425084 
1 1 1   29    2   32 o   23.703   1.2954   76.363   8.2155   76.031   11.729   76.683   11.511   23.499   1.8739   23.614   1.8292 -0.1148071 2.618659 
1 1 1   29    2   33 o   19.373   1.5056   51.329   7.7730   39.218   10.928   63.734   11.059   16.631   2.5257   21.482   1.9375 -4.850801 3.183244 
1 1 1   29    2   34 o   39.742   0.9866  213.279   10.531  211.199   14.906  215.352   14.882   39.437   1.4072   39.828   1.3911 -0.3908081 1.978771 
1 1 1   29    2   35 o   18.684   1.5887   47.904   7.8970   48.898   11.011   46.851   11.332   18.687   2.2383   18.243   2.3687 0.4444199 3.258971 
1 1 1   29    2   36 o   9.0348   2.8631   11.460   7.7939   6.0416   10.183   19.125   12.111   8.0896   3.1870   11.438   3.5610 -3.348851 4.778926 
1 1 1   29    2   37 o   37.175   0.9890  186.831   9.8756  197.762   14.077  176.238   13.858   38.130   1.3745   35.975   1.4342 2.154995 1.986479 
1 1 1   29    2   38 f   42.453   0.9437  243.659   10.761  243.839   15.164  243.476   15.273   42.329   1.3338   42.293   1.3445 0.3596878E-01 1.893876 
1 1 1   29    2   39 o   19.957   1.8185   55.394   9.6407   47.330   12.636   66.627   14.913   18.071   2.6850   21.520   2.6351 -3.448965 3.762087 
1 1 1   29    2   40 o   31.649   1.4188  137.099   12.061  133.962   14.603  143.833   21.394   31.085   1.7562   31.688   2.5348 -0.6032314 3.083749 
1 1 1   29    2   41 o   10.626   3.0930   17.185   9.3617   20.188   13.192   14.139   13.287   11.407   3.7348   10.082   3.7189 1.324656 5.270594 
1 1 1   29    2   42 o   18.675   2.0298   49.633   10.018   49.357   13.608   49.959   14.801   18.125   2.8925   18.054   3.1680 0.7102394E-01 4.289818 
1 1 1   29    2   43 o   21.338   1.8150   64.244   10.303   57.560   14.061   71.994   15.142   19.603   2.7458   22.059   2.6059 -2.456024 3.785526 
1 1 1   29    2   44 o   20.394   1.9608   59.516   10.608   59.539   16.371   59.500   13.928   19.426   3.2527   19.889   2.6751 -0.4638557 4.211434 
1 1 1   29    3  -37 o   7.9165   3.3336   2.8465   12.078 -17.8269   17.719   20.787   16.506   7.1636   3.4018   11.933   4.1757 -4.768993 5.385942 
1 1 1   29    3  -36 o   23.692   2.2219   78.609   13.974   90.968   20.081   67.006   19.457   25.073   3.0443   21.206   3.5409 3.866222 4.669632 
1 1 1   29    3  -35 o   19.984   1.7644   55.115   9.3730   55.594   13.008   54.598   13.518   19.810   2.5003   19.573   2.6386 0.2373562 3.635102 
1 1 1   29    3  -34 o   13.936   2.4995   27.805   9.0122   20.167   12.513   36.040   12.991   11.723   3.6147   15.654   3.1979 -3.930955 4.826211 
1 1 1   29    3  -33 o   18.049   1.9018   45.135   9.0810   44.446   12.722   45.850   12.966   17.613   2.7816   17.892   2.7891 -0.2788086 3.939038 
1 1 1   29    3  -32 o   13.477   2.5163   26.003   8.7739   31.292   12.361   20.634   12.456   14.579   3.2408   11.868   3.5964 2.710712 4.841193 
1 1 1   29    3  -31 o   22.285   1.6188   68.020   9.6232   73.924   13.805   62.439   13.422   23.032   2.2608   21.096   2.4120 1.935503 3.305895 
1 1 1   29    3  -30 o   40.018   1.1262  216.592   12.105  240.282   17.549  195.092   16.718   42.016   1.5551   37.829   1.6454 4.186760 2.263993 
1 1 1   29    3  -29 o   17.638   2.7153   44.349   12.451   46.635   17.816   42.167   17.408   17.628   3.8689   16.718   3.9410 0.9100952 5.522711 
1 1 1   29    3  -28 o   11.586   2.7107   19.447   8.2857   13.523   11.605   25.608   11.834   10.084   3.5028   13.171   3.3403 -3.086982 4.840164 
1 1 1   29    3  -27 o   35.635   1.1436  171.707   10.946  155.120   15.339  188.919   15.625   33.690   1.7006   37.269   1.5609 -3.578541 2.308350 
1 1 1   29    3  -26 o   11.341   3.1038   18.711   9.7296   16.100   12.164   23.348   16.212   10.781   3.5890   12.712   4.1393 -1.930711 5.478568 
1 1 1   29    3  -25 o   7.6110   3.0486   4.4247   9.4667   18.847   16.223  -3.0213   11.657   11.813   4.1394   7.0187   3.1115 4.794340 5.178398 
1 1 1   29    3  -24 f   25.622   1.3561   89.158   9.2994   83.173   13.055   95.323   13.249   24.584   1.9943   26.362   1.8836 -1.777975 2.743221 
1 1 1   29    3  -23 o   39.716   1.0694  212.900   11.408  214.178   16.102  211.611   16.166   39.737   1.5086   39.494   1.5240 0.2428093 2.144407 
1 1 1   29    3  -22 o   7.5708   2.8559   6.0042   7.9237   4.4181   10.978   7.7290   11.448   8.0579   3.2634   8.8349   3.4081 -0.7769709 4.718598 
1 1 1   29    3  -21 o   28.617   1.2492  110.668   9.6016  100.662   13.533  120.810   13.625   27.127   1.8688   29.771   1.7112 -2.644327 2.533853 
1 1 1   29    3  -20 o   45.620   1.0288  280.636   12.606  283.578   17.814  277.685   17.842   45.767   1.4491   45.284   1.4669 0.4825401 2.062020 
1 1 1   29    3  -19 f   35.029   1.2955  165.822   12.189  151.118   16.974  181.476   17.514   33.267   1.9076   36.544   1.7843 -3.276474 2.612056 
1 1 1   29    3  -18 o   45.980   1.0107  284.973   12.482  281.431   17.724  288.457   17.581   45.606   1.4470   46.178   1.4174 -0.5727310 2.025549 
1 1 1   29    3  -17 f   19.751   1.7322   53.333   9.0963   51.915   15.082   54.143   11.404   19.143   3.0346   19.801   2.1804 -0.6582088 3.736673 
1 1 1   29    3  -16 o   26.269   1.5536   93.756   10.913   83.353   18.052   99.748   13.700   24.441   2.8005   27.023   1.8996 -2.581989 3.383956 
1 1 1   29    3  -15 o   40.542   1.1070  221.646   12.054  224.800   16.091  217.613   18.197   40.766   1.4696   40.063   1.6911 0.7035332 2.240465 
1 1 1   29    3  -14 o   11.803   2.9198   19.973   9.2057   16.956   11.315   25.881   15.832   11.031   3.4433   13.426   4.0516 -2.395242 5.317129 
1 1 1   29    3  -13 o   38.630   1.1457  201.260   11.887  206.807   15.823  194.073   18.010   39.099   1.5068   37.823   1.7728 1.275749 2.326626 
1 1 1   29    3  -12 o   50.525   0.8153  343.555   11.064  339.647   13.738  350.770   18.666   50.207   1.0187   50.957   1.3638 -0.7492561 1.702289 
1 1 1   29    3  -11 f   11.461   1.4686   18.044   4.4169   19.603   6.1218   16.351   6.3791   11.853   1.9937   10.750   2.2799 1.102305 3.028676 
1 1 1   29    3  -10 o   43.005   0.8604  248.935   9.9383  243.646   12.113  259.831   17.385   42.521   1.0606   43.840   1.4764 -1.318890 1.817864 
1 1 1   29    3   -9 o   50.428   0.7614  342.115   10.313  338.146   14.284  346.438   14.906   50.094   1.0616   50.699   1.0946 -0.6050301 1.524881 
1 1 1   29    3   -8 o   25.544   0.9815   87.876   6.7338   90.047   9.6447   85.811   9.4058   25.782   1.3980   25.167   1.3970 0.6155205 1.976330 
1 1 1   29    3   -7 o   50.716   0.8223  346.104   11.201  339.697   15.678  352.786   16.010   50.195   1.1629   51.152   1.1653 -0.9574776 1.646271 
1 1 1   29    3   -6 f   29.651   0.9135  118.355   7.2747  126.057   11.194  112.724   9.5715   30.555   1.3640   28.908   1.2327 1.647003 1.838477 
1 1 1   29    3   -5 o   31.069   0.9188  129.942   7.6671  136.611   11.783  125.045   10.097   31.808   1.3792   30.448   1.2346 1.359949 1.851094 
1 1 1   29    3   -4 o   38.861   0.8134  203.190   8.4897  205.742   12.403  200.940   11.645   39.064   1.1821   38.613   1.1229 0.4511414 1.630410 
1 1 1   29    3   -3 o   11.967   1.8723   19.874   5.8209   27.530   8.5466   13.250   7.9499   14.028   2.3516   9.7318   2.8552 4.295959 3.698974 
1 1 1   29    3   -2 o   48.908   0.8097  321.824   10.637  312.490   15.985  329.241   14.249   48.135   1.2364   49.434   1.0732 -1.299164 1.637196 
1 1 1   29    3   -1 o   34.118   0.9030  156.676   8.2750  168.930   11.253  142.250   12.210   35.398   1.1836   32.457   1.4006 2.940495 1.833760 
1 1 1   29    3    0 o   32.818   1.0238  145.057   9.0246  134.121   13.365  154.223   12.235   31.453   1.5871   33.803   1.3476 -2.349541 2.082078 
1 1 1   29    3    1 o   17.693   1.3412   42.488   6.3260   39.882   8.7030   45.407   9.2111   17.038   1.9361   18.198   1.9131 -1.160185 2.721873 
1 1 1   29    3    2 o   47.021   0.7775  297.430   9.8189  290.542   13.878  304.334   13.894   46.433   1.1128   47.526   1.0884 -1.092831 1.556601 
1 1 1   29    3    3 o   26.100   1.0377   91.760   7.2745   90.491   10.312   93.017   10.264   25.835   1.4924   26.199   1.4645 -0.3638000 2.090916 
1 1 1   29    3    4 o   20.926   1.1554   59.205   6.4687   53.466   9.0953   65.078   9.2017   19.796   1.7279   21.881   1.5762 -2.084877 2.338850 
1 1 1   29    3    5 o   29.310   0.9236  115.655   7.2713  115.077   10.418  116.204   10.154   29.199   1.3283   29.346   1.2882 -0.1469078 1.850379 
1 1 1   29    3    6 f   16.330   1.4415   36.302   6.2578   35.999   8.9173   36.596   8.7838   16.138   2.1076   16.285   2.0539 -0.1467056 2.942868 
1 1 1   29    3    7 o   19.954   1.1975   53.888   6.3882   42.149   9.0287   65.656   9.0400   17.514   1.9526   21.982   1.5409 -4.468292 2.487358 
1 1 1   29    3    8 o   33.601   0.9126  151.995   8.2364  162.282   12.364  143.787   11.044   34.671   1.3277   32.644   1.2596 2.026936 1.830088 
1 1 1   29    3    9 o   39.906   0.8635  214.342   9.2557  226.424   13.943  204.824   12.376   40.962   1.2673   38.971   1.1823 1.990585 1.733199 
1 1 1   29    3   10 o   30.963   1.0923  129.219   9.0838  117.981   13.663  138.122   12.161   29.454   1.7347   31.972   1.4161 -2.517534 2.239306 
1 1 1   29    3   11 f   31.453   0.9600  133.239   8.1100  142.013   12.304  126.498   10.784   32.418   1.4131   30.609   1.3117 1.808891 1.928069 
1 1 1   29    3   12 o   13.723   1.8497   26.009   6.6439   35.013   9.9546   18.777   8.9218   15.829   2.4181   11.455   2.8977 4.374683 3.774115 
1 1 1   29    3   13 o   58.171   0.8429  455.479   13.170  448.112   19.518  461.637   17.844   57.617   1.2613   58.508   1.1355 -0.8913841 1.697070 
1 1 1   29    3   14 o   63.116   0.9225  536.480   15.639  540.355   23.594  533.443   20.887   63.232   1.3892   62.867   1.2369 0.3646812 1.860101 
1 1 1   29    3   15 o   34.471   0.9680  160.075   8.9621  154.904   13.393  164.268   12.060   33.840   1.4735   34.877   1.2874 -1.037613 1.956724 
1 1 1   29    3   16 o   42.406   0.8893  242.152   10.128  246.198   15.220  238.937   13.569   42.688   1.3275   42.077   1.2007 0.6111946 1.789905 
1 1 1   29    3   17 f   16.729   1.5911   38.250   7.0630   30.918   10.439   44.441   9.5921   14.762   2.7335   17.954   2.0245 -3.191871 3.401540 
1 1 1   29    3   18 o   23.082   1.2586   72.172   7.7735   67.062   11.428   76.572   10.605   22.114   1.9438   23.701   1.6767 -1.586620 2.567022 
1 1 1   29    3   19 f   26.397   1.1353   94.025   8.0491  103.096   11.886   86.339   10.940   27.527   1.6146   25.181   1.6262 2.346821 2.291598 
1 1 1   29    3   20 o   46.449   0.8907  290.632   11.113  290.620   16.521  290.641   15.018   46.362   1.3267   46.391   1.2053 -0.2911377E-01 1.792465 
1 1 1   29    3   21 o   63.773   0.9852  548.308   16.876  529.017   25.326  563.714   22.632   62.478   1.5092   64.568   1.3050 -2.090298 1.995214 
1 1 1   29    3   22 o   45.466   0.9035  278.557   11.033  251.619   16.211  301.805   15.060   43.108   1.4001   47.266   1.1862 -4.158161 1.835027 
1 1 1   29    3   23 o   38.221   1.0069  197.064   10.337  181.798   15.215  210.149   14.087   36.600   1.5477   39.405   1.3310 -2.804119 2.041311 
1 1 1   29    3   24 f   20.050   1.5258   54.876   8.1556   53.425   13.062   55.803   10.441   19.502   2.5551   20.117   1.9571 -0.6147137 3.218534 
1 1 1   29    3   25 o   9.1009   2.9843   11.271   8.4219   1.3449   13.837   17.111   10.614   8.2886   3.5325   10.930   3.3217 -2.641651 4.848944 
1 1 1   29    3   26 o   43.532   0.9800  255.736   11.458  261.483   18.380  252.082   14.654   43.856   1.5603   43.150   1.2644 0.7051125 2.008341 
1 1 1   29    3   27 o   15.693   1.8455   34.101   7.6302   35.902   11.956   32.863   9.9108   15.776   2.9295   15.211   2.5135 0.5646095 3.859992 
1 1 1   29    3   28 o   21.841   1.3451   64.926   7.8522   81.474   11.473   50.345   10.770   24.366   1.7651   19.015   2.1462 5.350836 2.778799 
1 1 1   29    3   29 o   11.546   2.3569   19.072   7.0616   17.465   10.181   20.562   9.8030   10.972   3.2345   11.852   3.0588 -0.8792887 4.451816 
1 1 1   29    3   30 o   58.117   0.9333  455.811   14.568  470.927   20.219  439.492   21.009   58.949   1.2770   56.906   1.3745 2.042171 1.876176 
1 1 1   29    3   31 o   17.114   1.7006   40.345   7.7136   34.930   10.762   46.067   11.062   15.627   2.6592   18.112   2.3277 -2.484909 3.534078 
1 1 1   29    3   32 o   29.983   1.2101  121.734   9.7450  117.213   13.544  126.586   14.032   29.246   1.7319   30.399   1.7257 -1.152666 2.444908 
1 1 1   29    3   33 o   50.180   0.9413  339.906   12.687  330.797   16.963  351.471   19.112   49.395   1.2785   50.868   1.3989 -1.472717 1.895117 
1 1 1   29    3   34 o   19.171   1.5440   50.386   7.8829   47.269   10.894   53.811   11.420   18.353   2.2577   19.616   2.2059 -1.262772 3.156447 
1 1 1   29    3   35 o   30.380   1.1068  124.940   9.0310  123.809   12.532  126.162   13.026   30.088   1.5560   30.357   1.6033 -0.2685146 2.234208 
1 1 1   29    3   36 o   22.191   1.4743   67.429   8.7374   67.574   11.515   67.231   13.414   22.053   1.9646   21.855   2.3208 0.1985188 3.040667 
1 1 1   29    3   37 o   9.5461   2.8879   13.233   8.0362   6.9210   10.443   22.397   12.583   8.2722   3.2371   12.156   3.5994 -3.883691 4.840941 
1 1 1   29    3   38 o   25.062   1.4604   86.201   9.7879   89.396   13.534   82.698   14.173   25.286   2.0093   24.219   2.2028 1.067297 2.981535 
1 1 1   29    3   39 o   9.9686   3.0712   14.793   9.0350   2.3546   12.370   29.014   13.227   7.8217   3.3370   13.618   3.5720 -5.796004 4.888209 
1 1 1   29    3   40 o   37.813   1.3078  195.642   13.282  190.727   17.297  202.705   20.735   37.074   1.7370   37.941   2.0422 -0.8669090 2.681036 
1 1 1   29    3   41 o   16.684   2.3118   40.427   10.081   47.540   13.070   29.980   15.840   17.804   2.8278   13.400   4.0545 4.403405 4.943225 
1 1 1   29    3   42 o   8.5733   3.1083   10.239   9.2250   8.8730   12.942   11.650   13.153   8.8362   3.5556   9.3785   3.6432 -0.5423031 5.090718 
1 1 1   29    3   43 o   32.977   1.4876  150.993   13.176  137.941   19.192  162.630   18.122   30.715   2.3441   33.723   2.0099 -3.007267 3.087744 
1 1 1   29    3   44 o   32.828   1.6708  151.945   14.683  144.987   24.668  155.763   18.273   30.437   3.0589   32.811   2.0842 -2.374193 3.701482 
1 1 1   29    4  -36 o   13.943   3.3349   29.474   12.321   29.228   17.289   29.729   17.562   13.628   4.2568   13.728   4.2906 -0.1002159 6.043942 
1 1 1   29    4  -35 o   9.2708   3.5323   9.9416   12.198 -10.7427   16.791   33.060   17.751   7.5366   3.4917   14.513   4.2690 -6.976232 5.515094 
1 1 1   29    4  -34 o   8.4405   3.4158   5.6941   12.018   20.475   16.464 -11.1632   17.583   11.964   4.1712   7.7332   3.5793 4.230700 5.496423 
1 1 1   29    4  -33 o   26.792   1.3870   97.834   9.9464  108.160   14.056   87.478   14.077   28.006   1.8796   25.087   2.1087 2.918856 2.824764 
1 1 1   29    4  -32 o   20.469   1.7576   57.725   9.5691   73.744   13.636   42.181   13.432   22.986   2.2370   17.029   3.0486 5.957247 3.781260 
1 1 1   29    4  -31 o   10.398   2.9232   15.703   8.5041   15.609   11.904   15.801   12.153   10.584   3.5508   10.654   3.5877 -0.7035160E-01 5.047782 
1 1 1   29    4  -30 o   18.114   1.8907   45.435   9.0632   48.455   13.082   42.647   12.568   18.429   2.7252   17.236   2.8117 1.192884 3.915627 
1 1 1   29    4  -29 o   10.828   2.8900   17.085   8.5621   13.305   12.138   20.828   12.079   10.081   3.5761   11.899   3.5273 -1.817657 5.022973 
1 1 1   29    4  -28 o   18.999   2.6253   51.209   13.038   44.168   18.167   58.688   18.724   17.056   4.0297   19.917   3.6340 -2.861225 5.426274 
1 1 1   29    4  -27 o   33.226   1.2833  149.632   11.453  148.505   15.065  151.175   17.628   32.942   1.7086   33.128   1.9904 -0.1860542 2.623157 
1 1 1   29    4  -26 o   24.544   1.4390   82.095   9.4446   79.863   13.268   84.388   13.447   24.019   2.0771   24.706   2.0449 -0.6867580 2.914778 
1 1 1   29    4  -25 o   31.127   1.4279  131.542   11.938  123.829   14.647  146.802   20.604   30.047   1.8236   32.495   2.3772 -2.448530 2.996073 
1 1 1   29    4  -24 o   45.662   1.2015  282.099   14.736  283.842   18.404  278.986   24.599   45.708   1.4990   45.100   2.0307 0.6086960 2.524094 
1 1 1   29    4  -23 o   31.273   1.4099  132.637   11.842  126.977   20.148  135.625   14.638   30.187   2.5077   31.498   1.7369 -1.311157 3.050510 
1 1 1   29    4  -22 o   23.536   1.6173   75.656   10.162   68.250   13.165   86.575   15.984   22.176   2.2409   24.940   2.4165 -2.763992 3.295598 
1 1 1   29    4  -21 o   12.551   2.5086   22.474   8.1613   16.454   11.274   29.104   11.830   10.823   3.4448   14.140   3.1908 -3.317079 4.695530 
1 1 1   29    4  -20 o   74.640   1.0551  751.783   21.152  742.959   30.036  760.464   29.792   74.014   1.5109   74.895   1.4810 -0.8812408 2.115705 
1 1 1   29    4  -19 f   11.413   2.9048   18.788   8.9273   21.725   13.646   16.591   11.803   12.297   3.7721   10.925   3.5299 1.371409 5.166164 
1 1 1   29    4  -18 o   34.997   1.1083  165.293   10.418  170.073   15.216  161.075   14.292   35.405   1.6001   34.468   1.5438 0.9371643 2.223475 
1 1 1   29    4  -17 o   50.254   0.9978  340.472   13.468  321.002   18.854  360.754   19.244   48.694   1.4416   51.636   1.3875 -2.942356 2.000876 
1 1 1   29    4  -16 o   21.102   1.6148   60.736   9.0832   34.061   14.776   76.938   11.516   15.257   3.6541   23.720   1.8215 -8.462916 4.082958 
1 1 1   29    4  -15 o   24.519   1.5851   81.815   10.383   80.263   18.394   82.541   12.579   23.912   2.9249   24.553   1.9228 -0.6403275 3.500266 
1 1 1   29    4  -14 f   14.399   2.2738   29.014   8.5022   23.125   12.651   33.865   11.482   12.651   3.5684   15.422   2.8778 -2.771091 4.584214 
1 1 1   29    4  -13 o   38.581   1.0474  200.671   10.854  195.106   15.253  206.380   15.449   37.966   1.4958   39.052   1.4728 -1.086170 2.099209 
1 1 1   29    4  -12 o   26.558   0.9909   95.043   7.0681  104.826   8.0322   61.471   14.880   27.883   1.0725   20.971   2.7048 6.912407 2.909642 
1 1 1   29    4  -11 o   33.490   0.8161  150.966   7.3412  154.339   9.6714  146.381   11.276   33.835   1.0642   32.924   1.2752 0.9114914 1.660909 
1 1 1   29    4  -10 o   28.000   0.9707  105.625   7.3005  106.396   9.0406  104.180   12.377   28.079   1.1987   27.673   1.6731 0.4060993 2.058187 
1 1 1   29    4   -9 o   20.756   1.0930   58.244   6.0720   54.096   8.1654   63.375   9.0818   19.934   1.5369   21.578   1.5779 -1.643845 2.202734 
1 1 1   29    4   -8 o   59.358   0.8717  474.351   13.897  464.516   18.954  485.785   20.437   58.673   1.2027   59.985   1.2684 -1.312237 1.747989 
1 1 1   29    4   -7 o   44.728   0.8689  269.333   10.439  280.204   14.273  256.832   15.306   45.577   1.1660   43.611   1.3067 1.966812 1.751284 
1 1 1   29    4   -6 o   42.115   0.7703  238.649   8.7138  245.036   12.528  232.663   12.128   42.633   1.0941   41.544   1.0869 1.089367 1.542184 
1 1 1   29    4   -5 o   23.340   1.0065   73.395   6.3098   79.764   8.9758   67.173   8.8719   24.258   1.3833   22.237   1.4941 2.021416 2.036177 
1 1 1   29    4   -4 o   38.752   0.8180  202.100   8.5144  200.220   12.388  203.784   11.722   38.525   1.1972   38.877   1.1226 -0.3519897 1.641186 
1 1 1   29    4   -3 o   17.673   1.2876   42.384   6.0698   39.656   8.6383   45.045   8.5307   16.980   1.9283   18.141   1.7735 -1.161163 2.619872 
1 1 1   29    4   -2 o   42.572   0.9389  244.064   10.736  237.958   16.133  248.917   14.383   41.959   1.4315   42.948   1.2469 -0.9885063 1.898362 
1 1 1   29    4   -1 o   26.881   1.0107   97.348   7.2971   96.779   10.825   97.822   9.8793   26.707   1.5153   26.875   1.3732 -0.1683960 2.044922 
1 1 1   29    4    0 o   31.718   0.9503  135.491   8.0960  137.899   12.348  133.676   10.722   31.941   1.4394   31.471   1.2685 0.4702454 1.918537 
1 1 1   29    4    1 o   48.959   0.8457  322.622   11.120  313.022   17.080  329.686   14.651   48.148   1.3208   49.453   1.1030 -1.305634 1.720789 
1 1 1   29    4    2 o   24.502   1.3310   81.310   8.7267   90.631   13.329   74.317   11.545   25.756   1.9410   23.326   1.8582 2.429352 2.687051 
1 1 1   29    4    3 o   42.224   0.8651  239.994   9.8108  239.670   13.871  240.319   13.878   42.145   1.2253   42.203   1.2244 -0.5715179E-01 1.732203 
1 1 1   29    4    4 o   49.103   0.8160  324.479   10.761  324.618   15.806  324.359   14.693   49.053   1.1997   49.049   1.1153 0.4482269E-02 1.637987 
1 1 1   29    4    5 o   13.934   1.7151   26.704   6.2833   21.668   9.0144   31.462   8.7629   12.315   2.7899   15.030   2.2390 -2.714851 3.577238 
1 1 1   29    4    6 o   26.853   1.0032   97.149   7.2357  101.653   10.220   92.622   10.246   27.392   1.3937   26.131   1.4657 1.260616 2.022542 
1 1 1   29    4    7 o   27.726   0.9773  103.561   7.2782  106.527   10.424  100.740   10.167   28.077   1.3823   27.268   1.3928 0.8093948 1.962280 
1 1 1   29    4    8 o   13.955   1.6610   26.750   6.1033   23.350   8.5985   30.203   8.6646   12.828   2.5850   14.711   2.2656 -1.883205 3.437293 
1 1 1   29    4    9 o   4.2928   2.0481  -8.6206   6.5772 -22.4393   9.4881   4.1625   9.1257   4.3234   2.1450   7.5074   2.9982 -3.184040 3.686433 
1 1 1   29    4   10 o   31.963   0.9816  137.649   8.4267  139.434   12.520  136.170   11.394   32.108   1.4518   31.748   1.3362 0.3609009 1.973075 
1 1 1   29    4   11 o   31.852   0.9811  136.695   8.3937  138.992   12.596  134.861   11.257   32.054   1.4631   31.594   1.3266 0.4596024 1.974925 
1 1 1   29    4   12 o   39.091   0.9080  205.806   9.5337  202.715   14.254  208.309   12.824   38.726   1.3704   39.284   1.2154 -0.5578613 1.831736 
1 1 1   29    4   13 o   51.557   0.8858  357.962   12.267  387.439   19.678  339.226   15.688   53.535   1.3685   50.139   1.1650 3.396252 1.797208 
1 1 1   29    4   14 f   40.579   0.9651  221.878   10.519  223.781   15.920  220.403   14.013   40.665   1.4576   40.390   1.2917 0.2751541 1.947583 
1 1 1   29    4   15 o   20.130   1.3923   55.063   7.4813   40.764   11.471   65.649   9.8693   17.035   2.5885   21.932   1.6884 -4.897030 3.090463 
1 1 1   29    4   16 o   21.870   1.3248   64.890   7.7451   49.482   11.823   76.474   10.251   18.853   2.3884   23.692   1.6207 -4.839109 2.886359 
1 1 1   29    4   17 o   16.065   1.7597   35.480   7.4689   45.735   11.599   28.216   9.7620   18.091   2.4501   14.083   2.6787 4.008595 3.630270 
1 1 1   29    4   18 o   26.127   1.2010   92.207   8.4280   91.614   13.086   92.627   11.017   25.866   1.8969   26.086   1.5799 -0.2199364 2.468631 
1 1 1   29    4   19 f   51.444   0.9222  356.666   12.743  337.734   20.121  369.346   16.466   49.915   1.5008   52.293   1.1724 -2.378689 1.904424 
1 1 1   29    4   20 o   49.238   1.0626  327.175   14.053  318.154   22.834  332.676   17.830   48.350   1.7583   49.579   1.3390 -1.229065 2.210101 
1 1 1   29    4   21 o   36.832   1.0396  183.072   10.284  162.445   15.275  200.176   13.909   34.568   1.6452   38.450   1.3468 -3.881935 2.126141 
1 1 1   29    4   22 o   7.8639   2.7493   7.7752   7.1549   9.1650   11.220   6.8228   9.2886   9.0631   3.4026   8.1027   3.0835 0.9603767 4.591907 
1 1 1   29    4   23 o   11.085   2.6612   17.733   7.8227   20.167   11.770   15.808   10.470   11.778   3.4795   10.565   3.3145 1.213210 4.805524 
1 1 1   29    4   24 o   30.332   1.1737  124.441   9.5626  112.222   14.448  133.965   12.756   28.584   1.8926   31.398   1.5126 -2.814058 2.422792 
1 1 1   29    4   25 o   16.175   1.8066   36.168   7.7146   41.264   11.496   31.993   10.405   17.053   2.5915   14.944   2.6914 2.109506 3.736292 
1 1 1   29    4   26 o   49.760   0.9116  334.045   12.184  345.246   18.284  325.099   16.341   50.450   1.3493   48.993   1.2418 1.456875 1.833732 
1 1 1   29    4   27 o   31.684   1.0899  135.718   9.2753  137.186   13.827  134.516   12.506   31.685   1.6303   31.455   1.4803 0.2296276 2.202091 
1 1 1   29    4   28 o   30.753   1.1888  128.042   9.8197  111.444   13.366  147.503   14.474   28.506   1.7543   32.889   1.6385 -4.383640 2.400454 
1 1 1   29    4   29 o   6.9324   2.8039   3.3317   8.0927   6.8342   11.003  -0.7963   11.945   8.4705   3.3205   7.3929   3.2172 1.077662 4.623435 
1 1 1   29    4   30 o   19.179   1.9752   51.015   10.029   55.059   13.203   45.498   15.422   19.734   2.5507   17.580   3.3888 2.153267 4.241493 
1 1 1   29    4   31 o   26.876   1.1766   97.800   8.4936  118.659   11.972   76.661   12.052   29.487   1.5167   23.563   1.9210 5.924129 2.447613 
1 1 1   29    4   32 o   37.708   1.1057  192.380   11.198  203.058   15.414  180.443   16.296   38.625   1.4858   36.348   1.6692 2.277615 2.234694 
1 1 1   29    4   33 o   35.958   1.1350  175.072   10.962  172.668   14.333  178.459   17.015   35.602   1.4989   36.099   1.7548 -0.4973907 2.307869 
1 1 1   29    4   34 o   7.0816   2.7479   4.8595   7.4766   2.3348   10.416   7.5433   10.739   7.4089   3.1065   8.5120   3.2960 -1.103062 4.529218 
1 1 1   29    4   35 o   20.668   1.4708   58.564   8.1112   63.448   11.380   53.522   11.564   21.333   2.0099   19.486   2.2508 1.846535 3.017549 
1 1 1   29    4   36 o   19.768   1.5455   53.810   8.1404   56.677   11.403   50.831   11.625   20.066   2.1490   18.913   2.3383 1.153286 3.175819 
1 1 1   29    4   37 o   26.642   1.3879   97.252   9.8969  109.554   14.006   84.982   13.987   28.059   1.8691   24.563   2.1415 3.496597 2.842456 
1 1 1   29    4   38 o   32.628   1.2228  145.168   10.716  142.190   15.027  148.249   15.286   31.993   1.7555   32.674   1.7481 -0.6810226 2.477412 
1 1 1   29    4   39 o   33.172   1.2059  150.240   10.744  155.716   15.353  144.983   15.041   33.453   1.7145   32.258   1.7425 1.194809 2.444545 
1 1 1   29    4   40 f   5.3520   2.5092  -7.5516   9.0928  -8.7120   13.006  -6.4421   12.717   6.4880   3.0285   6.6447   3.0644 -0.1566906 4.308407 
1 1 1   29    4   41 o   7.2014   3.1096   1.7509   10.987 -14.6238   15.948   16.541   15.157   6.7000   3.1946   10.455   3.9485 -3.755060 5.078926 
1 1 1   29    4   42 o   9.4451   3.3597   13.605   10.721   30.353   14.512  -6.5144   15.906   13.282   3.8465   7.3261   3.3957 5.956148 5.130873 
1 1 1   29    4   43 o   25.561   1.8495   93.397   12.611  103.012   19.736   86.763   16.395   25.765   2.9025   23.957   2.5892 1.808218 3.889502 
1 1 1   29    5  -35 o   7.2914   3.1462   0.6372   11.231 -19.5375   15.317   24.093   16.515   6.3485   3.0543   12.502   4.1825 -6.153865 5.179006 
1 1 1   29    5  -34 o   23.094   2.1890   74.908   13.416   49.212   19.231   99.271   18.725   17.703   4.1215   26.338   2.6845 -8.635014 4.918671 
1 1 1   29    5  -33 o   18.383   2.5818   48.345   12.396   43.819   17.097   53.363   17.999   16.896   3.8529   18.773   3.7012 -1.877575 5.342589 
1 1 1   29    5  -32 o   26.287   1.4733   94.447   10.360   97.803   14.596   91.040   14.707   26.533   2.0644   25.552   2.1632 0.9807739 2.990227 
1 1 1   29    5  -31 o   15.840   2.2300   35.380   9.2253   27.059   13.363   42.958   12.751   13.403   3.6247   17.247   2.8523 -3.844069 4.612396 
1 1 1   29    5  -30 o   10.447   2.9399   15.895   8.5971   28.962   12.253   3.2241   12.066   13.961   3.3167   8.0488   3.3567 5.911857 4.718917 
1 1 1   29    5  -29 o   19.190   1.8225   50.873   9.2812   57.994   13.019   43.513   13.235   20.290   2.4377   17.347   2.9460 2.943159 3.823741 
1 1 1   29    5  -28 o   6.5979   2.7656   1.5355   8.2513  -3.7990   11.539   7.1170   11.803   6.8350   3.0585   8.7014   3.4303 -1.866438 4.595800 
1 1 1   29    5  -27 o   8.6640   3.1898   8.9485   9.7686   7.7210   16.859   9.5688   11.985   9.8672   4.0262   9.2352   3.5055 0.6320200 5.338433 
1 1 1   29    5  -26 o   30.230   1.4720  124.298   11.952  130.027   14.526  112.289   21.032   30.787   1.7639   28.143   2.8204 2.644327 3.326556 
1 1 1   29    5  -25 f   10.993   3.1364   17.629   9.7157   32.262   12.414  -5.4991   15.607   14.808   3.2136   7.8371   3.5280 6.971032 4.772230 
1 1 1   29    5  -24 o   17.327   2.0222   41.768   9.2340   59.821   12.750   21.851   13.392   20.668   2.3378   12.195   3.7361 8.473510 4.407223 
1 1 1   29    5  -23 f   15.381   2.5636   33.702   10.218   28.501   12.714   43.190   17.172   13.864   3.4325   16.956   3.8575 -3.091802 5.163553 
1 1 1   29    5  -22 f   25.661   1.5407   89.864   10.570   85.256   16.466   93.095   13.786   24.666   2.5208   25.984   1.9904 -1.318256 3.211930 
1 1 1   29    5  -21 o   30.305   1.4158  124.605   11.524  114.036   19.303  130.458   14.365   28.567   2.5422   30.882   1.7389 -2.314121 3.080038 
1 1 1   29    5  -20 o   33.441   1.1431  151.154   10.268  140.102   14.557  162.096   14.484   32.029   1.6982   34.535   1.5615 -2.505924 2.307003 
1 1 1   29    5  -19 o   28.839   1.2572  112.523   9.7383  119.413   13.916  105.909   13.633   29.553   1.7611   27.804   1.8359 1.748835 2.543972 
1 1 1   29    5  -18 o   9.6520   2.8680   13.196   7.9788   19.179   11.805   8.1638   10.826   11.554   3.5012   8.7710   3.3311 2.782708 4.832670 
1 1 1   29    5  -17 o   20.310   1.5648   56.313   8.4703   60.707   12.560   52.649   11.471   20.911   2.2729   19.469   2.2341 1.441813 3.187067 
1 1 1   29    5  -16 o   15.208   2.0827   32.183   8.2837   34.502   11.840   29.959   11.594   15.512   2.9496   14.393   3.0912 1.118435 4.272677 
1 1 1   29    5  -15 o   24.930   1.3339   84.310   8.8994   81.401   12.914   86.941   12.281   24.344   1.9926   25.208   1.8262 -0.8636227 2.702854 
1 1 1   29    5  -14 o   25.407   1.4323   87.675   9.7346   90.302   15.755   86.052   12.381   25.558   2.3204   25.076   1.8513 0.4821072 2.968417 
1 1 1   29    5  -13 o   65.267   1.0797  574.682   18.927  552.961   28.988  590.823   24.988   63.811   1.6914   66.072   1.4081 -2.261009 2.200767 
1 1 1   29    5  -12 o   56.586   0.8430  431.186   12.813  434.355   16.052  425.621   21.269   56.750   1.0531   56.082   1.4120 0.6683044 1.761493 
1 1 1   29    5  -11 o   17.241   1.2445   40.358   5.7244   38.872   8.8271   41.437   7.5201   16.774   1.9986   17.405   1.6275 -0.6309357 2.577402 
1 1 1   29    5  -10 o   17.753   1.2711   42.796   6.0213   39.728   7.7759   47.389   9.5159   17.022   1.7246   18.560   1.9375 -1.538065 2.593862 
1 1 1   29    5   -9 o   34.027   0.8251  155.879   7.5405  152.628   10.252  159.711   11.130   33.633   1.1349   34.394   1.2048 -0.7613716 1.655124 
1 1 1   29    5   -8 o   13.170   1.8101   23.992   6.2337   21.368   7.9366   28.218   10.072   12.266   2.4939   14.075   2.7627 -1.809234 3.721868 
1 1 1   29    5   -7 o   27.979   1.0812  105.572   8.1256  103.158   9.8285  110.787   14.443   27.629   1.3244   28.478   1.8992 -0.8493195 2.315381 
1 1 1   29    5   -6 f   43.905   0.9152  259.648   10.793  264.708   14.091  252.466   16.787   44.287   1.1846   43.198   1.4468 1.088665 1.869902 
1 1 1   29    5   -5 o   39.474   0.8072  209.736   8.5579  206.205   12.061  213.317   12.145   39.094   1.1486   39.765   1.1371 -0.6703568 1.616279 
1 1 1   29    5   -4 o   17.566   1.3063   41.912   6.1190   41.439   8.6216   42.393   8.6860   17.362   1.8788   17.565   1.8699 -0.2028599 2.650763 
1 1 1   29    5   -3 o   14.967   1.6942   30.760   6.6908   43.926   10.718   22.353   8.5646   17.784   2.2975   12.529   2.6290 5.255157 3.491420 
1 1 1   29    5   -2 o   4.7973   2.1483  -2.4461   5.7038  -5.9700   8.0895   1.0379   8.0436   5.3207   2.4503   6.4874   2.7255 -1.166667 3.665031 
1 1 1   29    5   -1 o   8.8575   2.4205   11.095   5.9225   11.602   8.3402   10.580   8.4116   9.2418   2.9652   8.9528   2.9848 0.2889147 4.207329 
1 1 1   29    5    0 o   35.269   0.8675  167.481   8.2179  178.017   11.697  157.210   11.549   36.318   1.1991   34.121   1.2601 2.197277 1.739455 
1 1 1   29    5    1 o   6.4217   2.4843   3.7189   6.0963  -0.1424   8.7413   7.3755   8.5064   6.5162   2.7932   8.0958   2.9772 -1.579524 4.082337 
1 1 1   29    5    2 o   21.200   1.2261   60.869   6.9518   53.347   9.4820   69.611   10.222   19.739   1.8085   22.593   1.6970 -2.853554 2.480019 
1 1 1   29    5    3 o   13.815   1.7500   26.301   6.3476   18.107   8.9059   34.761   9.0497   11.239   2.9228   15.815   2.1891 -4.575977 3.651698 
1 1 1   29    5    4 o   25.975   1.2266   91.085   8.5576   89.835   12.597   92.156   11.662   25.649   1.8408   26.016   1.6779 -0.3668308 2.490712 
1 1 1   29    5    5 o   36.789   0.8899  182.264   8.7931  185.804   12.068  178.259   12.838   37.101   1.2111   36.323   1.3159 0.7778778 1.788397 
1 1 1   29    5    6 f   53.562   0.8018  386.150   11.535  389.058   16.461  383.344   16.169   53.700   1.1412   53.307   1.1293 0.3933220 1.605532 
1 1 1   29    5    7 o   37.185   0.8911  186.221   8.9003  184.772   13.018  187.494   12.196   36.979   1.3106   37.266   1.2185 -0.2868500 1.789541 
1 1 1   29    5    8 o   27.495   1.1797  102.036   8.7122  115.211   12.909   91.013   11.807   29.100   1.6584   25.842   1.7107 3.257935 2.382657 
1 1 1   29    5    9 o   30.978   0.9696  129.314   8.0675  126.408   11.735  131.918   11.109   30.566   1.4294   31.242   1.3239 -0.6755447 1.948288 
1 1 1   29    5   10 o   36.250   0.9121  177.017   8.8801  164.415   12.964  188.156   12.188   34.866   1.3844   37.329   1.2157 -2.462559 1.842369 
1 1 1   29    5   11 o   43.923   0.9027  259.888   10.650  272.360   16.652  251.255   13.854   44.873   1.3816   43.138   1.1957 1.734959 1.827163 
1 1 1   29    5   12 o   32.769   1.0346  144.804   9.1059  142.891   14.768  145.978   11.566   32.396   1.7032   32.861   1.3104 -0.4655952 2.148993 
1 1 1   29    5   13 o   57.570   0.9640  446.715   14.906  453.392   24.090  442.572   18.974   57.832   1.5509   57.236   1.2343 0.5961151 1.982103 
1 1 1   29    5   14 o   31.997   1.0016  138.043   8.6076  134.373   12.610  141.244   11.779   31.492   1.4908   32.311   1.3572 -0.8195686 2.016056 
1 1 1   29    5   15 o   8.8805   2.6343   11.069   6.7354   13.511   9.8950   8.9610   9.1942   9.9377   3.2337   8.6290   3.1068 1.308720 4.484315 
1 1 1   29    5   16 o   7.7078   2.6945   7.4100   6.8723  -9.1553   9.8865   22.897   9.5594   5.6280   2.6315   12.599   2.8868 -6.970846 3.906208 
1 1 1   29    5   17 o   13.759   1.9709   26.353   7.0756   17.551   10.235   34.412   9.7928   11.059   3.2382   15.642   2.4081 -4.582813 4.035436 
1 1 1   29    5   18 o   34.491   0.9933  160.474   9.2019  182.275   13.784  142.946   12.359   36.678   1.3992   32.478   1.4168 4.200775 1.991250 
1 1 1   29    5   19 o   28.834   1.2749  112.508   9.8732  104.186   15.255  118.507   12.952   27.500   2.0808   29.474   1.6426 -1.974894 2.650953 
1 1 1   29    5   20 o   13.138   2.2098   24.336   7.5208   26.395   11.382   22.740   10.020   13.431   3.2005   12.497   3.0191 0.9342012 4.399749 
1 1 1   29    5   21 o   30.456   1.0947  125.335   8.9547  122.036   12.142  129.269   13.259   29.931   1.5153   30.781   1.6094 -0.8490276 2.210487 
1 1 1   29    5   22 f   26.108   1.2189   92.263   8.5471   85.456   12.662   97.962   11.585   24.916   1.9064   26.775   1.6185 -1.858540 2.500825 
1 1 1   29    5   23 f   4.9654   2.3324  -7.8885   7.9220  -5.8595   11.333  -9.8276   11.078   6.5138   2.9618   5.9616   2.7869 0.5522881 4.066815 
1 1 1   29    5   24 o   8.5169   2.8683   9.6944   7.7676   14.806   10.992   4.5951   10.978   10.311   3.4107   8.0283   3.2592 2.282296 4.717617 
1 1 1   29    5   25 f   43.047   1.0003  250.298   11.566  247.697   16.102  253.069   16.624   42.703   1.4039   43.153   1.4343 -0.4498787 2.006989 
1 1 1   29    5   26 o   24.050   1.3181   78.703   8.4824   69.453   12.367   86.919   11.656   22.368   2.0825   25.162   1.7354 -2.793577 2.710738 
1 1 1   29    5   27 o   32.128   1.1678  139.753   10.078  142.656   13.833  136.469   14.711   32.348   1.5921   31.547   1.7429 0.8011665 2.360678 
1 1 1   29    5   28 o   17.592   1.8734   42.881   8.7157   41.227   11.913   44.786   12.785   16.970   2.7044   17.670   2.7860 -0.7002068 3.882791 
1 1 1   29    5   29 o   18.996   2.1226   50.340   10.644   44.933   14.598   56.476   15.554   17.520   3.2209   19.779   3.0238 -2.258808 4.417881 
1 1 1   29    5   30 o   22.024   1.5390   66.401   9.0466   59.115   12.352   74.832   13.287   20.540   2.2772   23.182   2.1588 -2.641796 3.137813 
1 1 1   29    5   31 o   14.784   2.1100   30.738   8.1406   30.828   11.910   30.659   11.152   14.448   3.1573   14.474   2.9683 -0.2638245E-01 4.333554 
1 1 1   29    5   32 o   15.578   2.0957   34.099   8.5462   25.478   11.299   45.625   13.065   13.074   3.2352   17.772   2.8321 -4.697686 4.299664 
1 1 1   29    5   33 o   36.185   1.0149  177.151   9.8642  170.984   13.858  183.486   14.044   35.411   1.4570   36.694   1.4250 -1.283844 2.038003 
1 1 1   29    5   34 o   31.999   1.0881  138.790   9.3513  138.075   13.074  139.538   13.381   31.772   1.5320   31.929   1.5603 -0.1570244 2.186692 
1 1 1   29    5   35 o   26.241   1.2610   93.754   8.8878   97.234   12.370   90.040   12.778   26.504   1.7475   25.440   1.8835 1.064512 2.569255 
1 1 1   29    5   36 o   16.163   2.1576   37.220   9.1331   48.251   12.808   25.808   13.027   18.163   2.7082   12.845   3.6204 5.318411 4.521266 
1 1 1   29    5   37 o   12.667   2.7337   24.028   9.0276   24.864   12.574   23.139   12.969   12.551   3.5637   12.103   3.6703 0.4480143 5.115734 
1 1 1   29    5   38 o   19.551   1.9391   54.106   10.048   45.306   15.407   60.621   13.256   16.941   3.5017   20.394   2.4705 -3.453062 4.285468 
1 1 1   29    5   39 o   20.267   1.9796   58.512   10.638   65.798   15.409   51.876   14.705   20.927   2.8127   18.353   3.0930 2.574207 4.180630 
1 1 1   29    5   40 o   7.8742   3.0955   7.2086   9.5871  -0.5965   13.816   14.458   13.315   7.5347   3.3609   9.8719   3.7065 -2.337238 5.003420 
1 1 1   29    5   41 o   10.536   3.4900   18.172   11.507   10.821   15.232   27.945   17.563   9.3135   3.8166   12.418   4.3094 -3.104916 5.756533 
1 1 1   29    6  -34 o   14.575   3.7609   33.444   14.821   29.683   17.577   42.700   27.571   13.575   4.2993   15.619   5.4006 -2.044647 6.902951 
1 1 1   29    6  -33 o   27.509   1.9604  105.406   14.390  126.892   20.884   85.986   19.855   29.777   2.6386   24.170   3.1322 5.607506 4.095452 
1 1 1   29    6  -32 o   10.833   3.6046   17.028   12.270   24.713   17.216   9.0943   17.492   12.750   4.2703   10.042   4.0996 2.707982 5.919662 
1 1 1   29    6  -31 o   27.887   1.5114  106.455   11.278  106.888   18.058  106.178   14.441   27.516   2.4697   27.675   1.9554 -0.1589375 3.150053 
1 1 1   29    6  -30 o   23.443   1.5525   75.332   9.7202   73.857   13.894   76.746   13.603   22.945   2.2850   23.434   2.1864 -0.4896297 3.162542 
1 1 1   29    6  -29 o   36.194   1.1791  177.529   11.463  156.437   16.145  198.969   16.278   33.735   1.7882   38.178   1.5874 -4.443005 2.391163 
1 1 1   29    6  -28 o   8.5298   3.3082   7.4248   10.832   8.1291   15.161   6.6905   15.482   9.5703   3.8494   9.4038   3.8501 0.1665211 5.444343 
1 1 1   29    6  -27 o   15.490   2.2410   33.848   9.0529   32.008   12.795   35.693   12.811   14.681   3.3223   15.578   3.1695 -0.8975525 4.591681 
1 1 1   29    6  -26 o   17.660   2.2490   43.819   10.426   15.202   18.252   57.678   12.702   11.265   4.3139   20.247   2.3812 -8.981958 4.927518 
1 1 1   29    6  -25 o   13.023   2.8650   24.767   9.7496   45.968   14.072   5.1960   13.520   17.786   3.0558   8.7423   3.5907 9.044174 4.714968 
1 1 1   29    6  -24 o   43.448   1.2866  256.074   15.015  268.789   18.043  227.433   27.079   44.429   1.5119   40.315   2.5133 4.114857 2.933018 
1 1 1   29    6  -23 o   40.162   1.1095  218.219   11.969  223.871   16.839  212.449   17.015   40.539   1.5465   39.470   1.6050 1.069164 2.228827 
1 1 1   29    6  -22 o   24.197   1.6892   80.317   10.909   95.252   13.633   53.726   18.191   26.274   1.9457   18.989   3.6996 7.284666 4.180057 
1 1 1   29    6  -21 o   34.301   1.1967  159.302   11.025  158.407   15.582  160.200   15.603   34.062   1.7031   34.257   1.6957 -0.1946831 2.403354 
1 1 1   29    6  -20 o   18.637   1.8245   47.937   9.0156   52.433   12.996   43.765   12.518   19.255   2.5775   17.502   2.7538 1.753185 3.771895 
1 1 1   29    6  -19 o   31.358   1.3829  133.420   11.647  132.738   19.663  133.789   14.456   30.883   2.3891   31.267   1.7281 -0.3838100 2.948574 
1 1 1   29    6  -18 o   13.366   2.4048   25.399   8.3155   25.480   12.395   25.333   11.213   13.132   3.4642   13.139   3.2059 -0.6718636E-02 4.720013 
1 1 1   29    6  -17 o   43.274   1.0481  252.870   12.182  254.822   17.343  250.969   17.114   43.319   1.4906   42.993   1.4820 0.3261032 2.101949 
1 1 1   29    6  -16 f   28.705   1.2568  111.504   9.6901  108.560   14.218  114.057   13.241   28.129   1.8930   28.889   1.7142 -0.7606258 2.553747 
1 1 1   29    6  -15 o   19.263   1.6521   50.826   8.4650   37.389   12.028   64.015   11.916   16.160   2.8766   21.519   2.0879 -5.359894 3.554407 
1 1 1   29    6  -14 o   7.0962   2.7612   4.5740   7.5649  -7.1155   11.306   14.050   10.179   6.3781   2.9222   10.092   3.2796 -3.713709 4.392653 
1 1 1   29    6  -13 o   17.820   1.9019   43.796   8.9625   40.394   14.759   45.783   11.280   16.649   3.4151   18.095   2.3786 -1.446484 4.161816 
1 1 1   29    6  -12 o   30.778   0.8417  127.604   6.9576  137.783   10.657  120.042   9.1852   31.924   1.2429   29.813   1.1471 2.111526 1.691316 
1 1 1   29    6  -11 o   13.414   1.4704   24.670   5.2111   21.675   7.5047   27.459   7.2415   12.369   2.3447   14.054   1.9727 -1.684789 3.064226 
1 1 1   29    6  -10 o   80.155   0.8365  865.336   18.010  874.893   25.669  856.071   25.275   80.478   1.1875   79.610   1.1821 0.8682861 1.675552 
1 1 1   29    6   -9 o   29.150   0.9132  114.501   7.1496  113.789   10.848  115.048   9.5062   28.994   1.3930   29.181   1.2129 -0.1876869 1.847049 
1 1 1   29    6   -8 o   40.822   0.8138  224.394   8.9231  227.441   12.193  220.880   13.094   41.052   1.1058   40.437   1.2056 0.6151543 1.635892 
1 1 1   29    6   -7 f   23.720   1.0506   75.890   6.6932   81.772   9.2914   69.545   9.6499   24.538   1.4158   22.587   1.6010 1.951681 2.137236 
1 1 1   29    6   -6 f   57.989   0.8473  452.877   13.197  442.450   17.188  467.854   20.599   57.258   1.1176   58.827   1.3037 -1.568996 1.717188 
1 1 1   29    6   -5 o   21.761   1.1883   64.130   6.9189   67.163   9.3399   60.441   10.300   22.202   1.5765   20.998   1.8449 1.203447 2.426762 
1 1 1   29    6   -4 o   17.654   1.5452   42.557   7.2534   36.531   10.476   48.106   10.053   16.124   2.5000   18.672   2.0376 -2.548130 3.225182 
1 1 1   29    6   -3 o   36.436   0.9831  178.954   9.6207  168.311   11.395  205.367   17.951   35.304   1.2017   38.885   1.7188 -3.580887 2.097262 
1 1 1   29    6   -2 o   6.2399   2.5193   2.4860   6.5209  -7.1448   8.5647   15.769   10.058   5.3557   2.4857   10.584   3.2371 -5.228757 4.081354 
1 1 1   29    6   -1 o   17.245   1.4779   40.560   6.7792   45.868   8.9976   33.591   10.311   18.270   1.8595   15.428   2.5792 2.841796 3.179642 
1 1 1   29    6    0 o   30.879   1.0289  128.569   8.5336  129.918   11.885  127.133   12.260   30.983   1.4282   30.638   1.4899 0.3443432 2.063841 
1 1 1   29    6    1 o   30.312   1.0391  123.899   8.4596  119.586   10.849  130.591   13.512   29.736   1.3583   30.985   1.6294 -1.249094 2.121288 
1 1 1   29    6    2 o   54.795   0.8396  404.319   12.357  413.538   16.662  393.050   18.421   55.358   1.1206   53.933   1.2717 1.425869 1.694931 
1 1 1   29    6    3 o   15.961   1.5315   34.831   6.4849   26.453   8.9439   44.118   9.4165   13.664   2.5302   17.883   1.9944 -4.218903 3.221741 
1 1 1   29    6    4 o   42.280   0.8319  240.707   9.4465  251.955   13.403  229.605   13.316   43.203   1.1550   41.233   1.2024 1.969540 1.667288 
1 1 1   29    6    5 o   38.747   0.8643  202.211   8.9952  208.371   12.731  196.069   12.712   39.279   1.2067   38.095   1.2423 1.183563 1.731917 
1 1 1   29    6    6 f   18.986   1.5342   49.165   7.7565   58.434   11.106   40.338   10.838   20.597   2.0340   16.970   2.4486 3.626863 3.183213 
1 1 1   29    6    7 f   37.111   0.9995  185.693   9.9625  210.475   15.348  167.648   13.097   39.424   1.4494   35.198   1.3853 4.226261 2.004969 
1 1 1   29    6    8 o   15.223   1.7277   31.885   6.9392   41.461   9.3009   19.864   10.421   17.313   2.0392   11.728   3.2132 5.584855 3.805712 
1 1 1   29    6    9 o   18.173   1.4181   44.982   6.8671   43.777   9.6057   46.241   9.8210   17.792   2.0474   18.295   2.0329 -0.5034161 2.885253 
1 1 1   29    6   10 o   56.469   0.8161  429.425   12.378  448.897   17.556  410.177   17.455   57.662   1.1336   55.107   1.1793 2.554947 1.635799 
1 1 1   29    6   11 o   17.671   1.4466   42.580   6.8057   42.077   9.4008   43.134   9.8656   17.434   2.0465   17.634   2.1258 -0.1999989 2.950806 
1 1 1   29    6   12 o   15.607   1.6915   33.488   6.9771   33.848   9.7891   33.117   9.9469   15.507   2.4301   15.314   2.5048 0.1931095 3.489907 
1 1 1   29    6   13 o   25.319   1.1512   86.599   7.8288   84.297   11.701   88.464   10.534   24.823   1.7666   25.486   1.5461 -0.6628380 2.347633 
1 1 1   29    6   14 o   32.652   1.0772  143.939   9.4469  143.055   12.958  144.942   13.802   32.475   1.4855   32.669   1.5730 -0.1937943 2.163562 
1 1 1   29    6   15 o   13.392   2.1601   25.192   7.5057   23.501   10.064   27.312   11.267   12.722   2.9948   13.696   3.1311 -0.9734192 4.332717 
1 1 1   29    6   16 f   26.184   1.2614   92.779   8.8708   91.048   12.350   94.623   12.750   25.778   1.7949   26.275   1.8178 -0.4969769 2.554635 
1 1 1   29    6   17 o   14.567   2.0744   29.652   7.8866   27.291   10.888   32.258   11.440   13.695   3.0393   14.941   2.9554 -1.245856 4.239299 
1 1 1   29    6   18 o   10.243   3.1544   14.926   9.5320   40.198   17.472   4.2176   11.374   16.328   4.0126   8.0838   3.3037 8.244675 5.197591 
1 1 1   29    6   19 o   31.391   1.1635  133.297   9.8100  139.119   13.384  126.538   14.421   31.977   1.5583   30.389   1.7745 1.587370 2.361614 
1 1 1   29    6   20 o   9.8029   2.6584   13.862   7.1762   16.242   10.096   11.431   10.203   10.627   3.2418   9.3674   3.2826 1.259148 4.613538 
1 1 1   29    6   21 o   20.648   1.4894   58.272   8.2047   56.240   10.560   61.367   13.033   20.150   1.9766   20.926   2.3602 -0.7758808 3.078523 
1 1 1   29    6   22 o   12.121   2.5157   21.154   7.9216   24.372   10.296   16.484   12.402   12.889   3.0259   10.841   3.6243 2.047400 4.721421 
1 1 1   29    6   23 o   35.445   1.0397  169.819   9.8982  171.736   13.209  167.364   14.948   35.557   1.3831   35.038   1.5883 0.5187988 2.106153 
1 1 1   29    6   24 o   14.668   1.9359   30.026   7.4406   34.474   10.455   25.462   10.591   15.521   2.5999   13.158   3.0555 2.363291 4.011971 
1 1 1   29    6   25 o   22.841   1.3141   71.037   8.0280   70.164   11.215   71.954   11.497   22.543   1.8691   22.823   1.8925 -0.2798176 2.659898 
1 1 1   29    6   26 o   23.287   1.2981   73.811   8.0871   81.603   11.363   65.814   11.512   24.361   1.7483   21.788   1.9891 2.573425 2.648221 
1 1 1   29    6   27 o   34.708   1.1472  163.105   10.694  168.722   14.732  156.850   15.548   35.179   1.5592   33.824   1.7171 1.354950 2.319345 
1 1 1   29    6   28 o   6.9181   2.8990   1.8416   9.0614   4.3589   13.548  -0.1959   12.189   8.6017   3.5696   7.5328   3.2640 1.068943 4.836857 
1 1 1   29    6   29 o   22.719   1.4325   70.513   8.6965   75.322   12.772   66.356   11.875   23.277   2.0642   21.843   2.0479 1.433720 2.907742 
1 1 1   29    6   30 o   6.2722   2.6410   1.1925   7.5795   2.3451   11.138   0.1985   10.344   7.6186   3.2044   7.0197   3.0242 0.5988827 4.406137 
1 1 1   29    6   31 o   18.306   1.8350   46.524   8.9013   41.348   13.192   50.850   12.060   16.784   3.0383   18.925   2.4286 -2.141388 3.889640 
1 1 1   29    6   32 o   37.909   1.1085  194.834   11.287  182.491   15.745  207.884   16.189   36.499   1.6061   38.984   1.5462 -2.484722 2.229365 
1 1 1   29    6   33 o   15.850   2.0079   35.382   8.3565   32.472   12.438   37.776   11.282   14.667   3.2435   16.101   2.7047 -1.433687 4.223250 
1 1 1   29    6   34 o   28.549   1.3240  111.258   10.153  101.473   16.241  117.536   13.008   26.759   2.2814   29.162   1.6676 -2.402658 2.825954 
1 1 1   29    6   35 o   20.633   1.7624   59.406   9.6730   60.888   15.616   58.484   12.322   20.234   2.9610   20.203   2.3123 0.3049469E-01 3.756906 
1 1 1   29    6   36 o   8.6880   3.1145   10.345   9.2299   15.883   13.478   5.4534   12.666   10.402   3.7592   8.3082   3.4499 2.093740 5.102314 
1 1 1   29    6   37 o   7.4580   2.9771   5.5488   8.9941   13.970   13.153  -1.8462   12.326   9.8935   3.6900   7.0867   3.1669 2.806715 4.862621 
1 1 1   29    6   38 o   5.9352   2.7396  -5.6200   10.196  -8.1359   13.208  -1.9103   16.039   6.5572   3.0578   7.9054   3.5660 -1.348243 4.697457 
1 1 1   29    6   39 o   6.2526   2.8650  -4.4422   10.871 -18.7759   14.841   12.150   15.968   6.0609   2.9381   9.6612   3.9275 -3.600247 4.904843 
1 1 1   29    6   40 o   7.2930   3.1475   2.6532   11.245  -8.2862   18.776   8.7708   14.041   7.6896   3.6053   8.7782   3.6376 -1.088589 5.121547 
1 1 1   29    7  -33 o   12.777   4.2085   26.204   16.741   26.204   16.741   0.0000   0.0000   12.777   4.2085  ?   ?  0.000000 4.208459 
1 1 1   29    7  -32 o   21.185   2.3239   63.912   13.006   70.834   19.456   58.320   17.489   21.613   3.4688   19.587   3.4503 2.026140 4.892619 
1 1 1   29    7  -31 o   10.607   3.9567   14.897   15.125   3.7530   27.929   19.521   17.992   11.016   4.8531   11.741   4.3280 -0.7252312 6.502644 
1 1 1   29    7  -30 o   6.6869   2.9363  -1.2990   10.150   0.9565   16.390  -2.7023   12.928   8.6924   3.7756   7.3354   3.2631 1.356981 4.990280 
1 1 1   29    7  -29 o   32.279   1.2653  141.576   10.970  145.982   15.632  137.299   15.399   32.541   1.7954   31.542   1.8255 0.9991322 2.560463 
1 1 1   29    7  -28 o   12.455   2.9163   22.869   9.5837   35.193   14.461   13.216   12.798   15.245   3.5908   10.078   3.6600 5.167446 5.127285 
1 1 1   29    7  -27 o   41.280   1.1223  230.786   12.443  237.700   17.817  224.203   17.386   41.718   1.5901   40.513   1.5978 1.204922 2.254166 
1 1 1   29    7  -26 o   31.487   1.2646  134.544   10.695  149.794   15.253  119.792   15.001   33.034   1.7250   29.460   1.9061 3.574125 2.570770 
1 1 1   29    7  -25 o   25.885   1.5635   91.725   10.819   91.306   17.176   92.001   13.930   25.435   2.5485   25.759   2.0299 -0.3242893 3.258090 
1 1 1   29    7  -24 o   33.520   1.3295  152.609   11.969  148.623   18.218  155.636   15.876   32.752   2.0818   33.665   1.7620 -0.9120865 2.727334 
1 1 1   29    7  -23 o   9.3109   3.0253   12.109   8.6622   25.329   12.185  -1.3992   12.317   13.014   3.4354   7.3930   3.2408 5.620929 4.722827 
1 1 1   29    7  -22 o   11.437   3.1246   19.272   9.8709   12.215   11.814   35.591   17.964   9.7563   3.5206   15.175   4.2424 -5.418825 5.512926 
1 1 1   29    7  -21 o   26.526   1.5559   96.239   11.037  110.920   13.750   69.645   18.506   28.395   1.8123   21.874   3.2487 6.521400 3.720014 
1 1 1   29    7  -20 o   10.059   2.9473   14.630   8.4757   27.661   11.689   0.1831   12.308   13.666   3.2347   7.6322   3.2934 6.034214 4.616289 
1 1 1   29    7  -19 o   16.572   1.9677   38.229   8.5874   40.863   12.448   35.837   11.862   16.836   2.8547   15.721   2.9167 1.115283 4.081233 
1 1 1   29    7  -18 o   19.592   1.6718   52.755   8.7129   45.451   12.160   60.460   12.490   17.878   2.6092   20.792   2.2736 -2.913942 3.460817 
1 1 1   29    7  -17 o   13.073   2.7814   24.786   9.4661  -1.1424   16.979   36.480   11.403   8.7050   3.8107   15.936   2.7642 -7.231246 4.707695 
1 1 1   29    7  -16 o   32.504   1.3391  143.306   11.691  150.337   20.508  139.921   14.230   32.886   2.3369   31.992   1.6618 0.8944721 2.867533 
1 1 1   29    7  -15 o   26.678   1.3325   96.498   9.5478   88.441   13.994  103.513   13.059   25.290   2.0787   27.474   1.7792 -2.184877 2.736147 
1 1 1   29    7  -14 o   23.336   1.3971   74.135   8.7164   81.306   12.835   67.997   11.875   24.280   1.9855   22.182   2.0152 2.098497 2.828951 
1 1 1   29    7  -13 o   24.230   0.9866   79.234   6.4207   78.599   7.6511   80.747   11.806   24.107   1.1817   24.251   1.8260 -0.1437817 2.174955 
1 1 1   29    7  -12 o   31.407   0.8950  132.995   7.5501  130.538   12.263  134.495   9.5813   31.011   1.4723   31.547   1.1308 -0.5353489 1.856407 
1 1 1   29    7  -11 f   20.732   1.1779   58.296   6.5320   57.552   8.6335   59.292   9.9893   20.520   1.5786   20.773   1.8084 -0.2537479 2.400466 
1 1 1   29    7  -10 o   16.182   1.3493   35.708   5.8109   31.022   8.2987   40.216   8.1393   14.898   2.1350   17.084   1.8009 -2.186212 2.793133 
1 1 1   29    7   -9 o   5.4211   2.2228   1.4713   5.1698   1.2455   7.4342   1.6828   7.1942   6.2775   2.6278   6.2841   2.6039 -0.6564140E-02 3.699447 
1 1 1   29    7   -8 o   28.494   0.9028  109.440   6.9096  110.141   9.8703  108.766   9.6760   28.530   1.2881   28.354   1.2705 0.1758308 1.809228 
1 1 1   29    7   -7 o   36.669   0.8279  181.136   8.1544  175.284   11.582  186.887   11.482   36.012   1.1975   37.194   1.1494 -1.182201 1.659822 
1 1 1   29    7   -6 o   54.515   0.7762  400.185   11.365  392.769   16.102  407.548   16.043   53.932   1.1116   54.944   1.0871 -1.011822 1.554792 
1 1 1   29    7   -5 o   13.482   2.0858   25.423   7.3090   30.030   11.390   22.198   9.5298   14.415   3.0377   12.391   2.9126 2.024179 4.208423 
1 1 1   29    7   -4 o   29.693   1.1022  119.033   8.7900  121.815   10.720  113.323   15.357   30.002   1.3303   28.732   2.0025 1.269554 2.404063 
1 1 1   29    7   -3 o   17.009   1.4260   39.464   6.4546   39.169   8.9385   39.784   9.3306   16.816   2.0194   16.930   2.0968 -0.1136189 2.911115 
1 1 1   29    7   -2 o   57.962   0.8349  452.532   12.998  450.855   17.446  454.624   19.485   57.784   1.1241   57.987   1.2511 -0.2034950 1.681896 
1 1 1   29    7   -1 o   19.458   1.3116   51.448   6.8148   57.283   9.7168   45.799   9.5602   20.438   1.7881   18.210   1.9868 2.227428 2.672967 
1 1 1   29    7    0 o   14.820   1.6940   30.233   6.6220   36.793   9.3560   23.647   9.3737   16.245   2.2009   12.822   2.8003 3.423619 3.561723 
1 1 1   29    7    1 o   18.536   1.3334   46.731   6.5943   43.420   9.0979   50.396   9.5715   17.737   1.9414   19.137   1.8867 -1.399836 2.707151 
1 1 1   29    7    2 o   8.5878   2.5488   10.343   6.3041   9.8146   8.7499   10.914   9.0906   8.7626   3.0417   9.1180   3.1028 -0.3554478 4.344998 
1 1 1   29    7    3 o   9.7522   2.4581   13.606   6.4365   6.4980   8.5012   23.154   9.8526   7.8417   2.9581   12.653   2.9530 -4.811158 4.179793 
1 1 1   29    7    4 o   8.0327   2.6086   8.6881   6.4405   8.3994   8.6331   9.0504   9.6717   8.3586   3.0104   8.7388   3.1805 -0.3802538 4.379280 
1 1 1   29    7    5 o   26.999   1.0693   98.384   7.7545  101.997   10.353   93.767   11.703   27.404   1.4114   26.212   1.6711 1.191650 2.187351 
1 1 1   29    7    6 o   41.577   0.9439  233.067   10.541  232.486   14.922  233.645   14.892   41.442   1.3406   41.547   1.3345 -0.1046791 1.891600 
1 1 1   29    7    7 o   19.279   1.5167   50.731   7.7901   51.425   9.6406   49.425   13.224   19.328   1.8809   18.703   2.7114 0.6251678 3.299899 
1 1 1   29    7    8 o   31.359   1.0961  132.791   9.2319  125.807   12.926  140.064   13.190   30.392   1.5890   32.124   1.5287 -1.731638 2.204949 
1 1 1   29    7    9 o   19.089   1.6021   49.854   8.1384   43.934   10.294   59.723   13.291   17.761   2.2052   20.673   2.4407 -2.912043 3.289402 
1 1 1   29    7   10 o   21.136   1.3642   60.766   7.7028   57.151   10.062   65.883   11.972   20.383   1.8584   21.838   2.0655 -1.455376 2.778516 
1 1 1   29    7   11 f   7.9789   2.7454   8.1884   7.1207   0.1035   9.1717   20.456   11.298   6.6769   2.8616   11.852   3.3824 -5.175372 4.430452 
1 1 1   29    7   12 o   52.110   0.8745  366.052   12.240  362.652   16.201  370.573   18.683   51.792   1.1646   52.301   1.3300 -0.5094948 1.767804 
1 1 1   29    7   13 o   15.770   1.7838   34.348   7.4229   27.498   9.7120   43.972   11.511   13.836   2.7104   17.660   2.4963 -3.824460 3.684822 
1 1 1   29    7   14 o   33.750   1.1138  153.961   10.097  158.015   13.433  148.696   15.308   34.110   1.4662   32.973   1.7346 1.137711 2.271240 
1 1 1   29    7   15 o   22.008   1.4438   66.049   8.4872   65.845   11.801   66.268   12.215   21.811   2.0380   21.859   2.1066 -0.4868126E-01 2.931114 
1 1 1   29    7   16 o   11.600   2.5136   19.375   7.6054   36.726   10.661   1.3930   10.853   16.071   2.5553   7.4209   3.1444 8.650152 4.051711 
1 1 1   29    7   17 o   24.713   1.3318   83.083   8.8076   67.327   13.847   93.789   11.414   21.918   2.3909   26.180   1.6314 -4.261843 2.894444 
1 1 1   29    7   18 o   26.865   1.2766   97.855   9.2116   87.807   12.614  109.336   13.484   25.246   1.8736   28.216   1.7885 -2.969906 2.590194 
1 1 1   29    7   19 o   13.422   2.1333   25.413   7.4331   30.511   10.729   20.708   10.308   14.498   2.8568   11.854   3.1742 2.644613 4.270435 
1 1 1   29    7   20 o   11.850   2.3331   20.106   7.1612   15.458   10.095   24.815   10.161   10.382   3.2543   13.007   2.9732 -2.625008 4.408004 
1 1 1   29    7   21 o   5.3904   2.4134  -2.7335   7.1949  -2.5551   10.154  -2.9135   10.197   6.5428   2.9020   6.5040   2.8953 0.3880167E-01 4.099349 
1 1 1   29    7   22 o   31.077   1.0528  130.607   8.7875  126.580   12.222  134.916   12.643   30.487   1.4926   31.474   1.4956 -0.9868870 2.113002 
1 1 1   29    7   23 o   14.764   1.9112   30.417   7.4009   33.293   10.300   27.347   10.641   15.229   2.6122   13.648   2.9860 1.580397 3.967286 
1 1 1   29    7   24 o   27.395   1.1594  101.660   8.5307  102.757   11.832  100.472   12.311   27.387   1.6157   27.050   1.7031 0.3367367 2.347555 
1 1 1   29    7   25 o   34.238   1.0239  158.491   9.4157  139.037   12.958  180.253   13.705   31.941   1.5104   36.405   1.4016 -4.464230 2.060533 
1 1 1   29    7   26 o   20.357   1.4706   56.722   7.9865   48.926   10.970   65.512   11.649   18.665   2.2326   21.711   2.0209 -3.046434 3.011377 
1 1 1   29    7   27 o   29.829   1.2641  120.773   10.127  116.125   14.254  125.512   14.392   29.023   1.8380   30.201   1.7821 -1.177296 2.560068 
1 1 1   29    7   28 o   21.803   1.3940   64.956   8.1205   64.263   11.391   65.672   11.579   21.494   1.9960   21.726   2.0070 -0.2319641 2.830573 
1 1 1   29    7   29 o   12.808   2.2500   23.443   7.4579   16.902   10.207   30.934   10.923   10.720   3.2573   14.514   2.9035 -3.793974 4.363504 
1 1 1   29    7   30 o   18.865   1.7845   49.386   8.9346   60.714   12.926   39.023   12.363   20.697   2.3679   16.305   2.9309 4.392424 3.767880 
1 1 1   29    7   31 o   24.229   1.3897   80.374   9.0060   83.889   13.361   77.447   12.192   24.486   2.0504   23.569   1.9433 0.9165077 2.824977 
1 1 1   29    7   32 o   25.339   1.4728   88.237   9.9807   88.223   14.302   88.250   13.935   25.021   2.1489   25.057   2.0896 -0.3566170E-01 2.997387 
1 1 1   29    7   33 o   10.132   2.9198   15.414   8.3803   25.910   12.932   7.8167   11.003   12.836   3.6035   8.4668   3.3201 4.368952 4.899810 
1 1 1   29    7   34 o   15.792   2.2354   35.949   9.2167   35.876   14.902   35.994   11.729   14.948   3.7250   15.442   2.9352 -0.4937201 4.742479 
1 1 1   29    7   35 o   15.816   2.6155   37.164   10.722   27.500   14.656   48.293   15.728   12.909   3.8987   17.490   3.4706 -4.580665 5.219693 
1 1 1   29    7   36 o   6.9130   2.9618   1.8017   9.8194  -2.6981   13.578   6.7347   14.217   7.2669   3.2792   8.6929   3.6361 -1.425985 4.896362 
1 1 1   29    7   37 o   23.277   1.8047   76.748   11.195   62.317   16.858   88.133   14.973   19.840   3.2779   24.571   2.2953 -4.730417 4.001660 
1 1 1   29    7   38 o   12.774   3.3971   27.068   11.857   33.928   15.729   18.039   18.046   13.834   4.0040   10.662   4.2293 3.172060 5.824039 
1 1 1   29    7   39 o   7.2910   3.2456   0.4597   12.812 -10.4855   18.455   10.644   17.801   7.3960   3.5004   9.4351   4.0136 -2.039097 5.325566 
1 1 1   29    8  -31 o   35.746   2.2578  181.156   21.566  164.700   30.598  197.400   30.400   32.879   3.5196   36.452   3.1355 -3.573486 4.713681 
1 1 1   29    8  -30 o   11.570   3.5540   20.484   12.109   28.235   17.337   13.101   16.921   13.290   4.2763   10.445   4.1104 2.845418 5.931474 
1 1 1   29    8  -29 o   31.528   1.4689  135.969   12.439  136.632   21.431  135.633   15.276   30.918   2.6050   31.286   1.8258 -0.3684196 3.181145 
1 1 1   29    8  -28 o   26.566   1.6718   97.255   11.868   88.080   20.555  101.843   14.536   24.468   3.2049   27.033   2.0164 -2.565802 3.786443 
1 1 1   29    8  -27 o   23.057   1.6269   73.165   10.010   64.361   14.066   82.201   14.250   21.264   2.5113   24.205   2.2165 -2.940237 3.349508 
1 1 1   29    8  -26 o   13.678   2.4914   26.958   8.8156   25.249   12.701   28.547   12.246   12.913   3.5512   13.780   3.3428 -0.8676357 4.877041 
1 1 1   29    8  -25 o   33.843   1.2327  155.451   11.205  143.324   15.623  168.294   16.079   32.253   1.8108   35.044   1.7082 -2.790882 2.489378 
1 1 1   29    8  -24 f   50.283   1.0629  342.169   14.355  329.711   20.499  354.159   20.109   49.146   1.5529   50.979   1.4686 -1.833115 2.137373 
1 1 1   29    8  -23 f   17.861   2.2365   44.894   10.494   54.506   19.313   40.868   12.500   18.912   3.9305   16.785   2.8761 2.126619 4.870341 
1 1 1   29    8  -22 o   22.635   1.6015   70.317   9.6734   70.894   13.712   69.744   13.649   22.475   2.3040   22.286   2.3139 0.1889133 3.265373 
1 1 1   29    8  -21 o   29.064   1.3247  114.772   10.341  107.076   14.504  122.730   14.748   27.822   1.9533   29.839   1.8493 -2.016895 2.689841 
1 1 1   29    8  -20 o   23.120   2.0472   74.299   12.582   72.970   13.188   87.770   41.983   22.862   2.1738   22.071   6.5835 0.7910824 6.933142 
1 1 1   29    8  -19 o   14.989   3.2648   33.340   12.772   33.340   12.772   0.0000   0.0000   14.989   3.2648  ?   ?  0.000000 3.264797 
1 1 1   29    8  -18 o   30.714   1.2627  127.993   10.417  121.226   14.580  135.048   14.888   29.669   1.8388   31.346   1.7755 -1.677469 2.556085 
1 1 1   29    8  -17 f   12.431   2.6264   22.396   8.4942   7.3570   12.431   35.569   11.634   8.8680   3.5125   15.657   2.8722 -6.789320 4.537363 
1 1 1   29    8  -16 o   17.287   1.8329   41.402   8.3804   31.180   11.960   51.261   11.746   14.544   3.1525   19.086   2.3404 -4.541543 3.926322 
1 1 1   29    8  -15 o   24.700   1.4204   83.208   9.3837   89.833   13.935   77.712   12.693   25.460   2.0554   23.684   2.0144 1.775953 2.877952 
1 1 1   29    8  -14 o   10.424   3.0377   15.762   9.0255 -10.6952   15.018   30.721   11.292   7.1149   3.2984   14.502   2.9981 -7.387552 4.457317 
1 1 1   29    8  -13 o   51.553   0.9135  358.665   12.648  366.400   16.956  348.961   18.992   52.009   1.2138   50.686   1.3950 1.322483 1.849178 
1 1 1   29    8  -12 o   27.865   0.9039  104.768   6.7651  103.858   9.4681  105.717   9.6697   27.681   1.2735   27.924   1.2893 -0.2435207 1.812180 
1 1 1   29    8  -11 o   24.336   1.0737   80.051   7.0180   85.918   9.1498   71.667   10.938   25.128   1.3608   22.828   1.7985 2.300108 2.255282 
1 1 1   29    8  -10 f   50.534   0.8525  344.323   11.572  335.148   18.617  350.100   14.772   49.691   1.3949   50.895   1.0806 -1.203953 1.764472 
1 1 1   29    8   -9 f   11.788   2.0395   19.587   6.2236   24.957   8.7262   14.027   8.8787   13.198   2.5540   9.9315   3.0420 3.266428 3.972001 
1 1 1   29    8   -8 o   23.509   1.0776   74.679   6.8041   75.933   10.235   73.686   9.1082   23.561   1.6274   23.248   1.4662 0.3127861 2.190428 
1 1 1   29    8   -7 o   36.332   0.8318  177.906   8.1172  180.581   11.661  175.391   11.307   36.536   1.1882   36.011   1.1690 0.5245667 1.666866 
1 1 1   29    8   -6 o   23.907   1.0495   77.189   6.7390   74.882   9.7448   79.305   9.3297   23.418   1.5582   24.130   1.4462 -0.7115612 2.125870 
1 1 1   29    8   -5 o   16.281   1.5432   36.339   6.6678   45.426   10.575   30.343   8.5905   18.040   2.2300   14.689   2.2490 3.351216 3.167208 
1 1 1   29    8   -4 o   15.186   1.9830   32.078   7.8949   33.298   9.5209   29.394   14.125   15.364   2.3845   14.064   3.6923 1.299304 4.395315 
1 1 1   29    8   -3 o   13.418   1.9019   25.074   6.6625   25.661   8.9388   24.341   9.9937   13.396   2.5779   12.947   2.9409 0.4493227 3.910785 
1 1 1   29    8   -2 o   31.888   0.9550  137.176   8.1794  142.736   11.276  131.002   11.883   32.467   1.2931   31.077   1.4236 1.390100 1.923181 
1 1 1   29    8   -1 o   51.551   0.9356  358.434   12.954  367.715   17.436  347.000   19.354   52.128   1.2453   50.579   1.4247 1.548908 1.892237 
1 1 1   29    8    0 o   8.8337   2.5629   11.061   6.4374   9.1025   8.9333   13.176   9.2845   8.5825   3.0653   9.7415   3.1289 -1.159008 4.380247 
1 1 1   29    8    1 o   25.652   1.0721   88.871   7.3868   94.527   10.497   83.322   10.397   26.346   1.4895   24.709   1.5747 1.636539 2.167583 
1 1 1   29    8    2 o   28.744   1.0316  111.545   7.9648  108.360   11.078  114.952   11.460   28.219   1.4666   29.065   1.4728 -0.8462448 2.078478 
1 1 1   29    8    3 o   23.043   1.1767   71.983   7.2584   69.128   10.119   75.010   10.417   22.468   1.6892   23.415   1.6673 -0.9471779 2.373425 
1 1 1   29    8    4 o   29.940   0.9884  120.975   7.9488  114.096   11.165  128.044   11.319   28.999   1.4335   30.733   1.3712 -1.734772 1.983707 
1 1 1   29    8    5 o   14.572   1.8337   29.434   7.0180   38.564   10.468   21.980   9.4583   16.541   2.4286   12.299   2.9088 4.242108 3.789350 
1 1 1   29    8    6 o   40.072   0.9229  216.585   9.9333  222.494   13.185  208.829   15.105   40.551   1.2106   39.227   1.4337 1.323765 1.876404 
1 1 1   29    8    7 o   5.6617   2.4026   0.4221   6.3521  -5.2946   8.6316   7.1754   9.3816   5.6066   2.5630   8.1905   3.1032 -2.583996 4.024823 
1 1 1   29    8    8 o   30.193   1.0030  123.075   8.1336  128.482   11.245  117.144   11.779   30.781   1.3602   29.324   1.5005 1.457161 2.025249 
1 1 1   29    8    9 f   28.449   1.0615  109.351   8.1108  123.033   11.286   94.735   11.664   30.111   1.3955   26.316   1.6587 3.794519 2.167649 
1 1 1   29    8   10 f   31.777   1.1109  136.527   9.4817  140.288   14.368  133.626   12.620   32.033   1.6758   31.351   1.4987 0.6815758 2.248190 
1 1 1   29    8   11 o   22.029   1.5554   66.368   9.1437   58.337   12.192   76.692   13.824   20.438   2.2586   23.479   2.2183 -3.041172 3.165845 
1 1 1   29    8   12 o   42.227   0.8875  240.550   10.066  248.436   13.932  231.939   14.558   42.831   1.2110   41.355   1.3107 1.476070 1.784530 
1 1 1   29    8   13 o   35.651   1.0263  171.741   9.8268  172.541   14.128  170.991   13.678   35.616   1.4768   35.468   1.4358 0.1479950 2.059702 
1 1 1   29    8   14 o   7.8175   2.6961   7.9236   6.8694   11.367   9.4158   4.0047   10.044   9.2152   3.1577   7.6473   3.1126 1.567843 4.433851 
1 1 1   29    8   15 o   23.785   1.2882   76.963   8.1989   77.401   11.966   76.576   11.257   23.676   1.8976   23.585   1.7904 0.9189224E-01 2.608883 
1 1 1   29    8   16 o   5.5890   2.5085  -3.1137   7.8249   4.4803   12.359  -8.1944   10.109   8.3360   3.4295   5.7798   2.6885 2.556172 4.357739 
1 1 1   29    8   17 f   30.408   1.1547  125.225   9.4309  109.984   12.646  144.326   14.157   28.321   1.6698   32.512   1.6211 -4.191040 2.327313 
1 1 1   29    8   18 o   20.268   1.4835   56.239   8.0197   57.206   11.610   55.357   11.091   20.228   2.1708   19.918   2.1050 0.3097610 3.023821 
1 1 1   29    8   19 o   33.007   1.0700  147.407   9.4864  139.598   13.793  154.418   13.068   31.931   1.6134   33.680   1.4446 -1.748621 2.165657 
1 1 1   29    8   20 o   23.459   1.3174   74.983   8.2673   89.676   11.707   60.370   11.676   25.539   1.7167   20.798   2.1199 4.741434 2.727795 
1 1 1   29    8   21 o   18.634   1.5625   47.705   7.7482   41.965   10.737   53.941   11.192   17.209   2.3874   19.632   2.1581 -2.423248 3.218221 
1 1 1   29    8   22 o   15.460   1.8689   33.288   7.6028   28.567   10.497   38.498   11.027   13.972   2.8924   16.394   2.5902 -2.422305 3.882648 
1 1 1   29    8   23 f   15.947   1.8502   35.373   7.7778   45.958   10.973   24.686   11.026   18.045   2.3177   12.880   3.2011 5.164379 3.952044 
1 1 1   29    8   24 f   7.1601   2.7389   5.3002   7.3516   13.295   10.245  -3.1859   10.555   9.7851   3.2941   6.5703   2.9337 3.214822 4.411099 
1 1 1   29    8   25 o   35.364   1.0110  169.151   9.6027  185.160   13.587  153.171   13.574   36.890   1.3712   33.507   1.5083 3.383183 2.038444 
1 1 1   29    8   26 o   7.7047   3.0335   5.5519   9.2200   11.078   13.503   0.7247   12.620   9.7331   3.7145   7.7534   3.3404 1.979675 4.995566 
1 1 1   29    8   27 o   35.490   1.0817  170.649   10.311  167.702   15.032  173.268   14.171   35.001   1.5990   35.625   1.4810 -0.6242523 2.179423 
1 1 1   29    8   28 o   8.3915   2.8498   9.5809   7.6686   0.8884   10.771   18.517   10.921   7.2232   3.0985   11.136   3.3660 -3.912419 4.574986 
1 1 1   29    8   29 o   6.1388   2.6316   0.3956   7.7601  -5.0325   11.006   5.7612   10.943   6.4197   2.9190   8.1190   3.2687 -1.699319 4.382296 
1 1 1   29    8   30 o   21.351   1.4858   62.759   8.4671   46.397   11.594   81.461   12.395   17.946   2.4708   24.146   1.9273 -6.200108 3.133607 
1 1 1   29    8   31 o   26.641   1.2582   96.859   9.0033  113.244   13.025   81.865   12.459   28.570   1.7051   24.161   1.9362 4.408175 2.579946 
1 1 1   29    8   32 o   33.532   1.1488  153.251   10.346  152.302   13.779  154.477   15.666   33.232   1.5437   33.299   1.7579 -0.6624603E-01 2.339428 
1 1 1   29    8   33 o   20.368   1.6623   57.962   9.0147   61.348   13.475   55.220   12.128   20.477   2.5021   19.501   2.3639 0.9760456 3.442179 
1 1 1   29    8   34 o   14.589   2.4146   31.463   9.1306   42.075   12.705   20.127   13.131   16.565   2.9643   11.173   3.7294 5.392549 4.764006 
1 1 1   29    8   35 o   15.296   2.4205   34.774   9.6134   37.202   12.555   31.334   14.946   15.348   3.1511   13.531   3.8993 1.817427 5.013400 
1 1 1   29    8   36 o   21.203   2.0647   65.078   11.609   86.432   16.700   45.107   16.150   23.938   2.6414   16.300   3.7647 7.637671 4.598921 
1 1 1   29    8   37 o   13.782   3.6459   32.729   13.705   27.130   20.195   37.509   18.658   11.986   4.5503   13.993   4.4294 -2.006213 6.350155 
1 1 1   29    8   38 o   5.9755   2.8334  -9.5993   12.205 -12.5392   17.252  -6.6535   17.270   6.9375   3.3119   7.4119   3.4695 -0.4744411 4.796451 
1 1 1   29    9  -30 o   11.214   4.2307   18.550   17.390   18.550   17.390   0.0000   0.0000   11.214   4.2307  ?   ?  0.000000 4.230724 
1 1 1   29    9  -29 o   14.471   3.8033   33.517   14.976   23.301   18.328   54.040   25.979   12.216   4.3878   17.358   5.1791 -5.142196 6.787907 
1 1 1   29    9  -28 o   29.002   1.8262  116.985   14.153  103.220   19.852  131.209   20.181   26.612   2.8204   30.275   2.5043 -3.662558 3.771790 
1 1 1   29    9  -27 f   34.950   1.3880  166.854   13.029  176.007   22.391  162.168   16.021   35.257   2.3784   34.246   1.7475 1.010891 2.951354 
1 1 1   29    9  -26 o   24.385   1.7567   82.304   11.429   76.761   19.711   85.112   14.028   22.707   3.3309   24.625   2.1423 -1.917917 3.960329 
1 1 1   29    9  -25 o   40.111   1.1356  218.273   12.234  220.183   17.298  216.361   17.304   40.084   1.6068   39.727   1.6217 0.3568764 2.282902 
1 1 1   29    9  -24 o   20.150   1.8009   56.276   9.6442   52.121   13.812   60.229   13.473   18.983   2.7924   20.572   2.4889 -1.589743 3.740577 
1 1 1   29    9  -23 o   13.364   2.5661   25.872   8.8761   16.254   12.939   34.421   12.199   10.738   3.7005   15.256   3.0831 -4.518294 4.816528 
1 1 1   29    9  -22 o   42.446   1.2932  244.853   14.743  240.666   27.528  246.538   17.458   41.361   2.4895   42.492   1.5296 -1.130840 2.921912 
1 1 1   29    9  -21 o   12.342   2.7510   22.303   8.8863   17.740   12.809   26.536   12.338   11.089   3.6826   13.272   3.4348 -2.182741 5.035807 
1 1 1   29    9  -20 o   11.881   2.8020   20.730   8.7964   18.142   12.763   23.072   12.141   11.185   3.6741   12.392   3.4958 -1.207388 5.071466 
1 1 1   29    9  -19 o   33.944   1.2153  156.322   11.080  142.073   15.821  170.035   15.521   32.099   1.8428   35.255   1.6392 -3.155361 2.466354 
1 1 1   29    9  -18 o   7.3826   3.0512   3.1136   9.8416  -5.2475   11.987   20.406   17.239   6.7593   3.0628   12.001   4.2612 -5.242090 5.247715 
1 1 1   29    9  -17 o   18.383   2.2009   47.487   10.651   51.801   13.214   39.488   17.994   19.027   2.6583   15.932   4.1599 3.094892 4.936774 
1 1 1   29    9  -16 o   46.957   1.2205  299.125   15.393  306.260   18.833  284.767   26.716   47.402   1.4792   45.310   2.1953 2.092438 2.647122 
1 1 1   29    9  -15 o   29.120   1.2744  115.124   9.9672  117.467   14.409  112.974   13.802   29.186   1.8476   28.638   1.8036 0.5480251 2.581944 
1 1 1   29    9  -14 o   11.145   1.8133   17.455   5.2415   14.821   5.9767   26.229   10.908   10.148   2.2517   13.309   3.1077 -3.161679 3.837705 
1 1 1   29    9  -13 o   53.012   0.9255  379.538   13.178  375.925   17.286  384.552   20.364   52.649   1.2224   53.157   1.4263 -0.5071869 1.878464 
1 1 1   29    9  -12 o   56.899   0.7700  436.461   11.768  441.492   16.584  431.359   16.700   57.120   1.0810   56.453   1.1014 0.6673927 1.543237 
1 1 1   29    9  -11 o   22.953   1.1274   71.326   6.9506   79.444   10.304   64.547   9.4156   24.074   1.6026   21.682   1.6287 2.392145 2.284946 
1 1 1   29    9  -10 o   15.964   1.4843   34.984   6.2912   39.742   9.0928   30.614   8.7136   16.867   2.0492   14.704   2.2802 2.163364 3.065703 
1 1 1   29    9   -9 o   16.797   1.4773   38.688   6.5974   52.074   10.261   29.254   8.6140   19.356   2.0026   14.360   2.3119 4.996498 3.058613 
1 1 1   29    9   -8 o   10.432   2.3436   15.668   6.4064   18.178   9.8531   13.830   8.4321   11.135   3.1522   9.8138   2.9557 1.320819 4.321189 
1 1 1   29    9   -7 o   8.3688   2.4927   9.9157   6.0216   12.658   9.1058   7.7846   8.0274   9.5281   3.1021   8.0092   2.9002 1.518915 4.246676 
1 1 1   29    9   -6 o   6.8541   2.5565   5.1642   6.3139  -4.7389   10.171   11.374   8.0538   6.2449   2.8262   9.0455   2.9151 -2.800678 4.060197 
1 1 1   29    9   -5 o   20.503   1.3278   57.272   7.2726   53.176   9.7522   62.403   10.916   19.612   1.8741   21.240   1.9346 -1.628067 2.693533 
1 1 1   29    9   -4 o   27.774   0.9988  104.199   7.4510   95.380   10.610  112.780   10.466   26.435   1.5005   28.825   1.3518 -2.389999 2.019639 
1 1 1   29    9   -3 o   30.635   1.0283  126.810   8.4608  134.545   12.046  119.278   11.886   31.467   1.4253   29.572   1.5014 1.894361 2.070187 
1 1 1   29    9   -2 o   47.801   0.9029  308.307   11.593  302.496   16.177  314.442   16.622   47.238   1.2750   48.158   1.2850 -0.9202042 1.810222 
1 1 1   29    9   -1 o   22.371   1.3398   68.141   8.0131   64.316   10.254   74.142   12.844   21.618   1.7818   23.119   2.0910 -1.501629 2.747176 
1 1 1   29    9    0 o   35.580   0.9991  170.988   9.5481  178.838   12.543  160.172   14.723   36.319   1.2858   34.283   1.5989 2.035896 2.051807 
1 1 1   29    9    1 o   33.481   0.9686  151.359   8.7102  159.007   12.083  143.085   12.567   34.239   1.3139   32.447   1.4420 1.792152 1.950842 
1 1 1   29    9    2 o   36.079   0.9087  175.648   8.8059  176.389   12.420  174.900   12.487   36.070   1.2820   35.914   1.2945 0.1559181 1.821871 
1 1 1   29    9    3 o   5.4497   2.3600  -0.5497   6.3650   1.2873   8.7768  -2.5877   9.2444   6.7335   2.8389   6.2279   2.7654 0.5055900 3.963195 
1 1 1   29    9    4 o   18.153   1.5378   45.176   7.4274   54.078   11.037   37.808   10.041   19.705   2.1187   16.365   2.3520 3.339382 3.165542 
1 1 1   29    9    5 o   15.931   1.7695   35.115   7.4437   37.665   9.5146   31.093   11.951   16.374   2.2207   14.545   3.1502 1.828552 3.854290 
1 1 1   29    9    6 o   26.339   1.1058   93.851   7.8230   94.672   10.887   92.975   11.249   26.320   1.5469   26.062   1.6149 0.2580929 2.236225 
1 1 1   29    9    7 o   5.5562   2.3890  -0.1519   6.4298   7.6790   8.8012  -9.1154   9.4161   8.1486   3.0225   5.4167   2.5439 2.731969 3.950584 
1 1 1   29    9    8 o   22.236   1.2493   67.239   7.4309   64.417   10.315   70.284   10.715   21.619   1.7925   22.592   1.7801 -0.9729424 2.526220 
1 1 1   29    9    9 o   10.018   2.6263   14.561   7.1529   7.5261   9.7999   22.583   10.464   8.3273   3.1677   12.362   3.1442 -4.034677 4.463239 
1 1 1   29    9   10 o   33.874   0.9865  155.041   8.9752  154.696   12.538  155.404   12.854   33.737   1.3836   33.804   1.4157 -0.6763077E-01 1.979564 
1 1 1   29    9   11 o   24.533   1.2522   81.844   8.2239   95.057   10.976   64.929   12.418   26.357   1.5573   21.566   2.1735 4.791698 2.673838 
1 1 1   29    9   12 o   19.254   1.4320   50.712   7.3523   48.338   10.120   53.366   10.699   18.614   2.0587   19.565   2.0673 -0.9511719 2.917564 
1 1 1   29    9   13 o   39.707   0.9682  213.043   10.326  203.076   15.174  221.641   14.092   38.615   1.4630   40.401   1.2987 -1.786026 1.956236 
1 1 1   29    9   14 o   17.587   1.7595   42.789   8.1999   38.045   10.953   48.840   12.369   16.297   2.5887   18.521   2.5543 -2.223627 3.636773 
1 1 1   29    9   15 o   28.325   1.1914  108.775   9.0641  106.504   13.246  110.775   12.430   27.811   1.7827   28.421   1.6352 -0.6093369 2.419087 
1 1 1   29    9   16 o   23.945   1.3284   78.154   8.5100   75.951   12.023   80.367   12.047   23.413   1.9290   24.108   1.8753 -0.6952076 2.690342 
1 1 1   29    9   17 o   14.168   2.1500   28.377   7.9249   40.861   11.580   17.381   10.868   16.870   2.6425   10.900   3.3702 5.970729 4.282599 
1 1 1   29    9   18 o   30.247   1.1370  123.966   9.2368  113.994   13.113  133.787   13.013   28.799   1.7028   31.304   1.5477 -2.504751 2.301078 
1 1 1   29    9   19 o   10.890   2.7582   17.389   8.0761   23.026   11.623   12.128   11.230   12.394   3.3926   9.6163   3.4366 2.777362 4.829076 
1 1 1   29    9   20 o   6.1501   2.5924   1.0834   7.3164  -0.5522   10.327   2.7316   10.367   6.8875   2.9943   7.4617   3.1116 -0.5742507 4.318367 
1 1 1   29    9   21 o   14.489   2.0629   29.559   7.8013   39.469   11.339   20.653   10.750   16.569   2.6363   11.772   3.2785 4.797163 4.207003 
1 1 1   29    9   22 o   18.331   1.6671   46.378   8.1185   50.783   11.592   42.137   11.374   18.958   2.3252   17.161   2.5447 1.796768 3.447009 
1 1 1   29    9   23 o   6.5690   2.6720   2.8943   7.3962  -0.0829   10.287   6.0803   10.642   6.9400   3.0028   8.1649   3.2449 -1.224920 4.421098 
1 1 1   29    9   24 o   16.016   1.8981   35.838   8.0066   39.482   11.257   32.108   11.390   16.551   2.6194   14.750   2.9777 1.800713 3.965844 
1 1 1   29    9   25 o   11.701   2.8802   20.314   8.9911   35.476   12.541   4.2807   12.897   15.434   3.1324   8.3502   3.4754 7.083785 4.678682 
1 1 1   29    9   26 o   18.584   1.6600   47.795   8.1988   37.035   11.221   60.117   12.008   15.939   2.7187   20.643   2.1997 -4.703662 3.497159 
1 1 1   29    9   27 f   7.9374   2.8347   8.1267   7.6391   2.6841   10.420   14.452   11.233   7.3980   3.1048   10.061   3.4489 -2.662874 4.640536 
1 1 1   29    9   28 o   14.246   2.3475   29.318   8.6693   40.130   11.338   14.098   13.452   16.580   2.6341   10.168   3.7432 6.412101 4.577113 
1 1 1   29    9   29 o   34.715   1.1033  163.911   10.287  165.709   13.571  161.484   15.772   34.744   1.4543   34.108   1.7273 0.6366463 2.257976 
1 1 1   29    9   30 o   17.900   1.8030   45.028   8.5502   61.870   11.955   27.391   12.234   20.815   2.1703   13.179   3.4247 7.635298 4.054476 
1 1 1   29    9   31 o   9.1931   2.9803   12.606   8.4086   7.9366   11.135   18.802   12.826   8.4102   3.3266   10.944   3.6857 -2.534073 4.964955 
1 1 1   29    9   32 o   8.5001   3.0761   10.050   9.0290   12.129   12.523   7.7989   13.030   9.3966   3.5793   8.6623   3.5376 0.7343187 5.032517 
1 1 1   29    9   33 o   10.920   3.0750   18.909   9.4022   28.191   14.184   11.634   12.557   12.883   3.8231   9.2269   3.5666 3.656212 5.228406 
1 1 1   29    9   34 o   8.9557   3.1525   12.100   9.4153   21.979   13.878   3.6751   12.816   11.363   3.8338   7.8264   3.3690 3.536233 5.103795 
1 1 1   29    9   35 f   18.730   2.8640   54.711   13.950   45.272   20.770   62.469   18.829   15.166   4.6539   19.075   3.8085 -3.909186 6.013637 
1 1 1   29    9   36 o   17.410   3.0376   48.747   13.688   51.935   19.469   45.631   19.247   16.538   4.3316   15.306   4.4290 1.232337 6.195026 
1 1 1   29   10  -29 o   13.802   4.2733   32.797   17.467   32.797   17.467   0.0000   0.0000   13.802   4.2733  ?   ?  0.000000 4.273348 
1 1 1   29   10  -28 o   37.400   2.3554  200.885   23.540  200.885   23.540   0.0000   0.0000   37.400   2.3554  ?   ?  0.000000 2.355396 
1 1 1   29   10  -27 o   28.451   2.1557  114.786   16.351  116.980   20.360  110.800   27.440   28.298   2.7120   26.361   4.0013 1.936888 4.833758 
1 1 1   29   10  -26 o   14.395   2.7685   30.773   10.315   39.535   18.303   26.694   12.487   15.498   4.2634   13.078   3.4901 2.420378 5.509771 
1 1 1   29   10  -25 o   24.159   1.7313   80.964   11.160   66.747   18.627   88.925   13.938   20.985   3.4228   25.150   2.0821 -4.164827 4.006313 
1 1 1   29   10  -24 o   19.867   2.0410   55.464   10.736   42.287   18.490   62.166   13.187   16.222   4.2079   20.877   2.3950 -4.654957 4.841703 
1 1 1   29   10  -23 o   22.345   1.8941   69.520   11.261   78.205   18.682   64.564   14.113   23.069   3.0931   21.242   2.5229 1.827238 3.991514 
1 1 1   29   10  -22 o   23.566   1.5825   76.404   9.9587   74.819   14.101   77.981   14.067   23.013   2.3126   23.527   2.2536 -0.5137806 3.229022 
1 1 1   29   10  -21 f   25.706   1.5676   90.752   10.772  101.647   17.822   84.481   13.521   26.765   2.5084   24.599   2.0655 2.166313 3.249395 
1 1 1   29   10  -20 o   17.999   2.1404   45.576   10.145   45.426   16.510   45.666   12.859   17.269   3.6725   17.749   2.7894 -0.4800282 4.611711 
1 1 1   29   10  -19 o   10.078   3.0027   14.841   8.7372   28.019   12.964   3.8742   11.827   13.581   3.5237   8.0417   3.3359 5.539689 4.852283 
1 1 1   29   10  -18 o   7.1013   2.8359   4.1726   8.1647   4.0012   12.117   4.3151   11.050   8.1415   3.3769   7.9254   3.2496 0.2160769 4.686542 
1 1 1   29   10  -17 o   31.922   1.3578  138.686   11.642  138.634   15.159  138.760   18.178   31.716   1.7868   31.548   2.1582 0.1686649 2.801898 
1 1 1   29   10  -16 o   9.1849   3.0847   11.659   8.9839   19.914   12.528   2.9200   12.890   11.579   3.6247   8.1618   3.4407 3.417510 4.997678 
1 1 1   29   10  -15 o   31.156   1.2562  131.846   10.512  109.588   14.960  153.552   14.773   28.099   1.9952   33.488   1.6425 -5.389294 2.584289 
1 1 1   29   10  -14 f   29.065   1.0146  114.289   7.9209  115.730   9.0883  109.733   16.155   29.215   1.1582   28.042   2.1615 1.172632 2.452278 
1 1 1   29   10  -13 o   18.069   1.2471   44.535   6.0153   45.067   7.7394   43.723   9.5601   18.084   1.6102   17.672   2.0524 0.4126263 2.608627 
1 1 1   29   10  -12 o   21.424   1.2357   62.508   7.0801   68.502   8.4473   48.355   12.981   22.384   1.4123   18.333   2.7184 4.050812 3.063398 
1 1 1   29   10  -11 o   14.018   1.5913   27.185   5.8853   37.314   7.8388   14.098   8.9100   16.388   1.8112   9.8824   3.0508 6.505440 3.547894 
1 1 1   29   10  -10 o   39.123   0.8591  206.616   9.0277  213.409   12.166  198.292   13.467   39.683   1.1415   38.196   1.3126 1.486927 1.739549 
1 1 1   29   10   -9 o   26.359   1.0224   93.986   7.2387   91.504   9.9974   96.721   10.495   25.877   1.4441   26.597   1.4749 -0.7198906 2.064166 
1 1 1   29   10   -8 o   20.975   1.1803   59.836   6.6228   57.902   9.3022   61.823   9.4313   20.493   1.7055   21.191   1.6706 -0.6977043 2.387330 
1 1 1   29   10   -7 o   24.721   1.1996   82.883   7.9651   86.204   13.324   81.037   9.9358   24.920   2.0077   24.325   1.5285 0.5950565 2.523354 
1 1 1   29   10   -6 o   45.593   0.9247  280.785   11.324  273.020   15.642  289.336   16.414   44.833   1.2990   46.142   1.3244 -1.309856 1.855124 
1 1 1   29   10   -5 o   25.988   1.1358   91.487   7.9277  103.412   12.640   83.754   10.179   27.425   1.7248   24.731   1.5400 2.694244 2.312224 
1 1 1   29   10   -4 o   12.947   2.0714   23.681   6.9602   24.892   10.727   22.801   9.1471   12.957   3.1198   12.482   2.7977 0.4754076 4.190440 
1 1 1   29   10   -3 o   32.267   1.0484  140.847   9.0859  170.605   15.213  124.348   11.328   35.341   1.6027   30.233   1.3950 5.107204 2.124798 
1 1 1   29   10   -2 o   22.071   1.4137   66.550   8.3364   70.279   11.890   62.944   11.692   22.501   1.9878   21.255   2.0744 1.246403 2.873029 
1 1 1   29   10   -1 o   38.481   1.0082  200.205   10.420  203.688   14.933  196.898   14.548   38.681   1.4373   38.035   1.4240 0.6453972 2.023284 
1 1 1   29   10    0 o   39.744   0.9601  213.430   10.249  223.242   14.119  202.502   14.900   40.546   1.2965   38.568   1.4384 1.978397 1.936458 
1 1 1   29   10    1 o   12.188   2.4001   21.360   7.5776   31.037   9.7659   6.7201   12.012   14.697   2.5674   8.6394   3.4431 6.057560 4.294919 
1 1 1   29   10    2 o   28.973   1.0928  113.630   8.5044  111.699   11.520  115.943   12.607   28.587   1.5057   29.087   1.6201 -0.4998016 2.211769 
1 1 1   29   10    3 o   46.174   0.9029  287.881   11.197  287.348   16.568  288.330   15.192   45.981   1.3415   46.104   1.2268 -0.1233368 1.817928 
1 1 1   29   10    4 o   13.233   2.1358   24.787   7.3325   22.942   9.5356   27.456   11.470   12.493   2.8979   13.592   3.1956 -1.099023 4.313877 
1 1 1   29   10    5 o   20.889   1.3467   59.555   7.5156   72.805   10.496   45.610   10.767   22.998   1.7114   17.989   2.2796 5.008986 2.850486 
1 1 1   29   10    6 o   7.3775   2.6998   6.4357   6.9827   3.8479   9.5156   9.4550   10.279   7.4389   3.0289   8.8454   3.2692 -1.406549 4.456676 
1 1 1   29   10    7 o   8.1653   2.7652   8.9335   7.2197   1.2864   10.210   16.581   10.210   7.1617   3.0429   10.658   3.2618 -3.496425 4.460764 
1 1 1   29   10    8 o   41.814   0.9512  236.263   10.683  232.494   14.015  241.488   16.503   41.382   1.2610   42.097   1.4596 -0.7154694 1.928830 
1 1 1   29   10    9 o   10.353   2.5010   15.586   6.8767   8.5337   9.3443   23.918   10.157   8.4393   3.1175   12.713   3.0193 -4.273839 4.339981 
1 1 1   29   10   10 o   22.675   1.3258   70.129   8.0393   57.805   11.341   82.576   11.398   20.335   2.1071   24.479   1.7450 -4.144514 2.735807 
1 1 1   29   10   11 o   17.945   1.5782   44.325   7.5291   50.564   10.525   37.785   10.775   19.008   2.0965   16.235   2.5555 2.772417 3.305376 
1 1 1   29   10   12 o   24.199   1.2641   79.745   8.1879   86.121   11.371   72.879   11.799   25.013   1.7028   22.917   1.9350 2.095272 2.577539 
1 1 1   29   10   13 o   29.553   1.1107  118.326   8.8165  114.629   12.511  121.972   12.426   28.904   1.6181   29.841   1.5557 -0.9376755 2.244655 
1 1 1   29   10   14 f   8.1646   2.9953   8.0686   8.6030   16.652   12.301  -0.1483   12.036   10.784   3.6096   7.4610   3.2381 3.322837 4.849210 
1 1 1   29   10   15 o   28.413   1.2295  109.601   9.3830  125.022   13.757   96.187   12.830   30.150   1.7058   26.389   1.8213 3.761108 2.495407 
1 1 1   29   10   16 o   29.032   1.3307  114.643   10.376   96.595   17.686  124.115   12.813   26.101   2.5556   30.086   1.5913 -3.984568 3.010551 
1 1 1   29   10   17 o   23.985   1.5920   79.010   10.198   75.474   14.763   82.237   14.104   23.112   2.4138   24.238   2.1901 -1.125692 3.259297 
1 1 1   29   10   18 o   22.627   1.5707   70.314   9.4865   79.378   14.495   63.523   12.547   23.758   2.3004   21.261   2.2303 2.496458 3.204057 
1 1 1   29   10   19 o   50.700   0.9717  347.632   13.232  352.820   19.149  342.892   18.305   50.887   1.4010   50.187   1.3579 0.6992111 1.951130 
1 1 1   29   10   20 o   11.929   2.4711   20.651   7.6572   15.506   10.691   26.070   10.972   10.358   3.3608   13.207   3.1392 -2.849349 4.598914 
1 1 1   29   10   21 f   26.198   1.2326   93.260   8.6731   95.842   12.088   90.520   12.452   26.362   1.7165   25.573   1.8248 0.7888985 2.505214 
1 1 1   29   10   22 o   10.278   2.7268   15.565   7.6518   9.7353   10.533   22.079   11.134   8.8982   3.3054   12.088   3.3253 -3.189551 4.688599 
1 1 1   29   10   23 o   17.972   1.8363   45.022   8.7395   45.833   11.561   43.941   13.351   17.878   2.4738   17.259   2.9884 0.6197453 3.879427 
1 1 1   29   10   24 o   9.0275   3.0786   11.338   8.9497   13.640   10.854   6.4476   15.819   9.8304   3.3891   9.2609   3.8512 0.5695305 5.130110 
1 1 1   29   10   25 o   13.023   2.3395   24.562   7.8827   22.475   10.950   26.808   11.357   12.121   3.2825   13.257   3.2213 -1.136521 4.599063 
1 1 1   29   10   26 o   5.4277   2.4753  -4.1437   7.9900  -7.4245   10.404   0.5722   12.474   5.8866   2.7346   7.5684   3.2907 -1.681789 4.278632 
1 1 1   29   10   27 o   35.587   1.1674  172.616   11.158  179.813   14.580  162.442   17.336   36.148   1.5017   34.064   1.9024 2.084053 2.423707 
1 1 1   29   10   28 o   6.7691   2.7222   3.9886   7.5811  -2.2899   10.467   10.916   10.995   6.5205   2.9158   9.0479   3.3738 -2.527421 4.459206 
1 1 1   29   10   29 o   16.830   1.8431   40.116   8.1953   28.851   11.325   52.499   11.874   13.576   3.1643   18.971   2.3830 -5.394445 3.961251 
1 1 1   29   10   30 o   14.963   2.0565   32.336   8.0465   50.341   11.294   13.773   11.467   18.561   2.3157   9.6252   3.4693 8.936129 4.171119 
1 1 1   29   10   31 o   5.1979   2.4429  -7.2812   8.7094   3.0134   12.123 -18.2635   12.521   7.6251   3.2795   5.4575   2.6576 2.167515 4.221121 
1 1 1   29   10   32 o   6.2667   2.7800  -0.7560   9.3214  -8.9922   13.506   6.7363   12.881   6.4714   3.0417   8.3028   3.4660 -1.831408 4.611350 
1 1 1   29   10   33 o   14.306   3.3750   34.114   12.759   23.825   23.849   38.239   15.101   11.497   4.7506   14.792   3.7852 -3.295543 6.074193 
1 1 1   29   10   34 o   7.9043   3.5306   1.9115   15.301 -40.7200   33.824   12.881   17.157   8.1304   4.0365   9.5724   3.9983 -1.441997 5.681533 
1 1 1   29   10   35 o   22.486   2.9359   81.093   17.308   24.180   31.962  104.707   20.588   11.199   5.0443   25.364   3.0856 -14.16554 5.913263 
1 1 1   29   11  -28 o   10.972   4.5979   16.490   22.798   16.490   22.798   0.0000   0.0000   10.972   4.5979  ?   ?  0.000000 4.597915 
1 1 1   29   11  -27 o   10.967   4.1309   18.623   16.564   18.623   16.564   0.0000   0.0000   10.967   4.1309  ?   ?  0.000000 4.130928 
1 1 1   29   11  -26 o   18.929   3.6062   57.077   17.665   57.077   17.665   0.0000   0.0000   18.929   3.6062  ?   ?  0.000000 3.606196 
1 1 1   29   11  -25 o   13.115   3.6659   27.661   13.415   35.547   17.232   15.530   21.372   14.559   4.1844   11.084   4.5291 3.475375 6.166162 
1 1 1   29   11  -24 o   25.871   1.7005   93.056   11.750   80.485   19.629  100.076   14.669   23.041   3.2630   26.620   2.0679 -3.578682 3.863052 
1 1 1   29   11  -23 o   22.924   1.8149   73.326   11.083   64.011   18.466   78.571   13.856   20.422   3.4920   23.521   2.2195 -3.098410 4.137644 
1 1 1   29   11  -22 o   33.406   1.4313  152.794   12.842  166.679   22.170  145.783   15.755   34.210   2.4286   32.395   1.8180 1.814854 3.033689 
1 1 1   29   11  -21 o   35.649   1.3616  173.534   13.037  156.896   22.208  182.282   16.104   33.167   2.5115   36.397   1.6473 -3.229996 3.003563 
1 1 1   29   11  -20 o   5.9473   2.6513  -2.4083   8.5830 -14.3145   13.214   6.2810   11.289   6.1468   2.9244   8.2950   3.3268 -2.148201 4.429412 
1 1 1   29   11  -19 o   20.789   1.9882   60.444   10.966   47.976   21.831   64.653   12.683   17.100   4.6365   21.395   2.2402 -4.294979 5.149358 
1 1 1   29   11  -18 f   47.793   1.0867  309.697   13.950  294.603   20.157  323.571   19.325   46.346   1.6193   48.655   1.4788 -2.309383 2.192906 
1 1 1   29   11  -17 o   17.616   1.9481   43.402   9.0635   45.712   13.517   41.514   12.217   17.658   2.9543   16.885   2.7914 0.7726822 4.064444 
1 1 1   29   11  -16 o   35.308   1.1858  169.252   11.245  155.819   15.994  182.384   15.814   33.608   1.7782   36.484   1.6138 -2.876194 2.401301 
1 1 1   29   11  -15 o   11.104   1.9511   17.498   5.6064   15.201   6.0014   33.247   15.714   10.258   2.2410   14.625   3.9203 -4.367745 4.515591 
1 1 1   29   11  -14 o   39.477   0.9906  210.858   10.503  216.247   13.674  203.104   16.403   39.880   1.2766   38.521   1.5854 1.359074 2.035443 
1 1 1   29   11  -13 o   11.018   1.9366   17.216   5.5216   21.702   7.2251   10.916   8.5615   12.299   2.2708   8.9124   3.0112 3.386578 3.771482 
1 1 1   29   11  -12 o   30.474   0.9910  125.646   8.1112  123.044   11.908  127.897   11.079   30.022   1.4768   30.650   1.3457 -0.6287766 1.997979 
1 1 1   29   11  -11 o   26.727   1.0193   96.691   7.3175  101.635   9.8867   90.702   10.882   27.323   1.3472   25.699   1.5843 1.623846 2.079623 
1 1 1   29   11  -10 o   30.125   0.9497  122.709   7.6842  128.169   10.487  116.381   11.291   30.706   1.2716   29.210   1.4392 1.495565 1.920472 
1 1 1   29   11   -9 o   46.901   0.8892  297.172   11.201  310.104   14.303  276.660   18.013   47.831   1.1133   45.014   1.4899 2.817043 1.859890 
1 1 1   29   11   -8 o   26.098   1.2256   92.497   8.5913   86.141   11.503  100.514   12.919   24.994   1.7241   26.980   1.7930 -1.985552 2.487459 
1 1 1   29   11   -7 o   18.241   1.4405   45.645   7.0001   45.818   9.3224   45.420   10.599   18.122   1.9458   17.931   2.2504 0.1906567 2.974941 
1 1 1   29   11   -6 o   18.801   1.4920   48.546   7.4724   55.237   10.620   41.986   10.516   19.889   2.0158   17.198   2.3371 2.691587 3.086351 
1 1 1   29   11   -5 o   5.0115   2.2623  -2.9886   6.4693 -13.6144   9.7040   5.5120   8.6795   5.0414   2.4269   7.5491   2.9520 -2.507720 3.821500 
1 1 1   29   11   -4 o   7.1707   2.6966   5.6939   7.0531  -0.7664   11.631   9.4510   8.8700   7.2428   3.1628   8.5671   3.0550 -1.324243 4.397322 
1 1 1   29   11   -3 f   28.306   1.1245  108.602   8.5491  115.206   12.566  102.913   11.664   28.967   1.6217   27.383   1.5928 1.583231 2.273095 
1 1 1   29   11   -2 o   21.724   1.2950   64.379   7.5217   72.673   10.962   56.999   10.340   22.927   1.7943   20.244   1.9249 2.683485 2.631510 
1 1 1   29   11   -1 o   14.942   1.7807   31.080   7.0056   39.034   9.8875   23.062   9.9275   16.599   2.2778   12.466   3.0010 4.132750 3.767602 
1 1 1   29   11    0 o   7.0836   2.6299   5.7352   6.6665   3.0075   9.2901   8.6309   9.5718   7.1858   2.9667   8.4917   3.1516 -1.305923 4.328293 
1 1 1   29   11    1 o   8.5430   2.7215   10.257   7.0351   13.480   9.2618   5.8617   10.816   9.7160   3.1256   8.1610   3.2623 1.554932 4.517963 
1 1 1   29   11    2 o   17.509   1.8545   42.645   8.5886   45.815   12.580   39.876   11.755   17.825   2.7132   16.599   2.7315 1.225243 3.849991 
1 1 1   29   11    3 f   42.654   0.9788  246.064   11.214  251.090   14.399  238.315   17.878   42.994   1.2469   41.736   1.5949 1.258305 2.024443 
1 1 1   29   11    4 o   33.678   1.0066  153.465   9.1057  142.580   12.268  166.818   13.588   32.346   1.4121   34.975   1.4465 -2.628979 2.021429 
1 1 1   29   11    5 o   28.807   1.1104  112.466   8.5913  106.471   11.624  119.685   12.755   27.865   1.5593   29.527   1.6144 -1.661884 2.244505 
1 1 1   29   11    6 o   13.176   2.1468   24.666   7.3358   29.770   10.206   19.211   10.551   14.281   2.7607   11.354   3.2775 2.926653 4.285246 
1 1 1   29   11    7 o   31.789   1.0400  136.809   8.8800  135.140   11.959  138.860   13.258   31.488   1.4140   31.872   1.5487 -0.3836899 2.097139 
1 1 1   29   11    8 o   5.2038   2.3363  -2.6946   6.7915  -6.5284   9.1688   1.9659   10.109   5.6061   2.5912   7.2301   3.0475 -1.623992 4.000195 
1 1 1   29   11    9 o   8.6617   2.7393   10.609   7.1374   18.548   9.4838   0.2391   10.839   11.174   3.0669   7.1556   3.0892 4.018572 4.353071 
1 1 1   29   11   10 o   20.513   1.4155   57.625   7.7512   58.017   10.494   57.153   11.499   20.414   1.9371   20.176   2.1552 0.2374077 2.897787 
1 1 1   29   11   11 o   22.354   1.3448   68.260   8.0365   67.313   11.040   69.327   11.721   22.019   1.8849   22.313   1.9762 -0.2935524 2.730984 
1 1 1   29   11   12 o   16.879   1.7202   39.494   7.6897   48.895   10.522   28.717   11.266   18.651   2.1391   13.886   3.0992 4.765373 3.765756 
1 1 1   29   11   13 o   5.5689   2.4851  -2.4430   7.5624   1.9023   9.4670 -10.1051   12.571   7.0204   2.9536   6.3756   2.9765 0.6447639 4.193200 
1 1 1   29   11   14 o   22.502   1.3731   69.224   8.2592   81.057   11.245   55.362   12.171   24.231   1.7393   19.776   2.3364 4.455162 2.912740 
1 1 1   29   11   15 o   5.3391   2.4042  -3.0472   7.2540   4.3244   9.5722 -12.9911   11.118   7.5203   3.0467   5.6057   2.6712 1.914608 4.051919 
1 1 1   29   11   16 o   15.297   1.9960   32.891   8.0057   29.454   10.868   36.968   11.838   14.108   2.9624   15.883   2.8809 -1.775510 4.132270 
1 1 1   29   11   17 o   12.970   2.7109   24.677   9.1395   23.237   12.092   26.596   13.958   12.368   3.4888   13.141   3.7628 -0.7730703 5.131268 
1 1 1   29   11   18 f   26.581   1.3506   96.530   9.6109   95.019   13.260   98.202   13.949   26.156   1.9005   26.560   1.9694 -0.4044952 2.736891 
1 1 1   29   11   19 o   18.986   1.9870   50.488   9.9821   51.259   15.121   49.893   13.289   18.591   3.1402   18.534   2.7532 0.5645180E-01 4.176215 
1 1 1   29   11   20 o   23.060   1.4311   72.943   8.8199   79.159   12.359   66.491   12.591   23.818   1.9489   21.708   2.1894 2.109352 2.931149 
1 1 1   29   11   21 o   8.9422   3.1305   10.899   9.2776   11.802   11.396   9.1251   15.978   9.4508   3.4504   9.6831   3.9316 -0.2322664 5.230914 
1 1 1   29   11   22 o   6.1959   2.7411  -1.6724   9.0029   2.5861   12.114  -6.9268   13.456   7.8061   3.3155   6.9164   3.1759 0.8896813 4.591186 
1 1 1   29   11   23 o   8.7354   3.0104   10.626   8.5632   8.4081   10.649   14.686   14.406   8.5287   3.2878   10.355   3.8618 -1.826283 5.071776 
1 1 1   29   11   24 o   19.877   1.5904   54.827   8.4194   50.161   11.550   60.118   12.299   18.653   2.3581   20.488   2.2732 -1.835510 3.275363 
1 1 1   29   11   25 o   6.8130   2.7434   3.9954   7.7102  -3.0854   10.556   12.093   11.288   6.4435   2.9010   9.3599   3.4315 -2.916410 4.493465 
1 1 1   29   11   26 o   21.521   1.5432   64.367   8.8608   59.147   11.876   70.921   13.308   20.268   2.2177   22.180   2.2657 -1.911337 3.170483 
1 1 1   29   11   27 o   13.032   2.3926   25.188   8.0663   31.570   11.300   18.557   11.518   14.250   3.0447   10.804   3.4866 3.446155 4.628875 
1 1 1   29   11   28 o   10.100   2.8176   15.819   7.9327   21.470   10.864   9.3664   11.610   11.529   3.3251   8.6662   3.4066 2.862484 4.760388 
1 1 1   29   11   29 o   23.266   1.3578   75.070   8.4483   67.863   11.630   83.121   12.293   21.708   2.0178   24.119   1.9132 -2.411547 2.780644 
1 1 1   29   11   30 o   10.767   3.1181   18.808   9.5361   20.614   13.846   17.179   13.153   10.995   3.8257   10.259   3.7127 0.7362986 5.331061 
1 1 1   29   11   31 o   21.114   2.4319   67.067   13.539   36.876   23.037   82.997   16.734   13.263   4.8958   23.187   2.7399 -9.924136 5.610363 
1 1 1   29   11   32 o   8.2757   3.6151   5.2696   15.208   0.0000   0.0000   5.2696   15.208  ?   ?    8.2757   3.6151 0.000000 3.615118 
1 1 1   29   11   33 o   11.342   4.3389   25.545   18.451   0.0000   0.0000   25.545   18.451  ?   ?    11.342   4.3389 0.000000 4.338850 
1 1 1   29   12  -26 o   11.183   4.2089   20.840   17.189   20.840   17.189   0.0000   0.0000   11.183   4.2089  ?   ?  0.000000 4.208926 
1 1 1   29   12  -25 o   11.493   4.2818   21.905   17.701   21.905   17.701   0.0000   0.0000   11.493   4.2818  ?   ?  0.000000 4.281787 
1 1 1   29   12  -24 o   12.684   4.2319   27.588   16.908   27.588   16.908   0.0000   0.0000   12.684   4.2319  ?   ?  0.000000 4.231900 
1 1 1   29   12  -23 o   12.043   3.5906   23.383   12.490   22.119   16.821   24.937   18.647   11.709   4.2037   12.258   4.4231 -0.5486441 6.102014 
1 1 1   29   12  -22 o   24.027   1.9297   81.407   12.348   92.247   18.591   72.850   16.519   24.938   2.8254   22.122   2.8461 2.816502 4.010382 
1 1 1   29   12  -21 o   22.199   1.8690   69.174   11.040   82.096   19.587   63.157   13.366   23.278   3.2189   20.901   2.4260 2.376911 4.030740 
1 1 1   29   12  -20 o   18.021   2.2083   46.407   10.465   46.290   18.570   46.461   12.668   16.829   4.1373   17.753   2.7453 -0.9240818 4.965301 
1 1 1   29   12  -19 o   10.732   3.2582   17.455   10.216 -10.9570   17.770   31.481   12.486   7.6351   3.5559   14.305   3.3146 -6.669442 4.861180 
1 1 1   29   12  -18 o   9.2741   3.3825   11.410   10.948 -20.2000   26.935   17.665   11.982   8.8913   4.2141   10.854   3.5597 -1.963174 5.516297 
1 1 1   29   12  -17 o   24.238   1.7083   81.372   11.050   62.823   18.925   90.967   13.611   20.243   3.6133   25.490   2.0042 -5.247070 4.131896 
1 1 1   29   12  -16 o   10.455   2.9980   16.303   8.8549   14.806   13.341   17.482   11.839   10.352   3.7402   10.845   3.5375 -0.4927359 5.148112 
1 1 1   29   12  -15 o   23.964   1.1053   77.938   7.1141   76.672   8.4508   81.018   13.180   23.676   1.3343   24.046   2.0607 -0.3692017 2.454963 
1 1 1   29   12  -14 o   8.4802   2.5671   10.336   6.3484   16.788   7.1287 -14.3915   13.956   10.696   2.5223   6.3721   3.0239 4.324284 3.937805 
1 1 1   29   12  -13 o   27.962   0.9725  105.828   7.3041  120.546   9.9713   88.788   10.729   29.768   1.2471   25.404   1.5803 4.364286 2.013096 
1 1 1   29   12  -12 o   12.566   1.8673   22.241   6.1106   27.962   7.9406   13.933   9.5687   14.013   2.1807   9.8262   3.1786 4.186748 3.854705 
1 1 1   29   12  -11 o   25.037   1.0950   85.001   7.3636   85.719   9.6875   84.018   11.332   25.013   1.4482   24.662   1.7216 0.3508091 2.249709 
1 1 1   29   12  -10 o   11.287   2.1731   18.294   6.3487   24.148   8.6358   11.408   9.3654   12.866   2.5888   9.1309   3.1481 3.734591 4.075824 
1 1 1   29   12   -9 o   34.318   0.9820  159.387   9.0513  158.277   13.080  160.407   12.538   34.053   1.4301   34.307   1.3607 -0.2544403 1.973962 
1 1 1   29   12   -8 o   17.335   1.4784   41.341   6.8177   36.271   9.2116   47.481   10.138   15.996   2.2024   18.380   2.0909 -2.383750 3.036841 
1 1 1   29   12   -7 o   16.924   1.6389   39.627   7.3564   43.648   9.6371   34.013   11.388   17.620   2.0762   15.206   2.8939 2.413687 3.561588 
1 1 1   29   12   -6 f   14.418   1.7784   29.015   6.7413   30.765   9.5952   27.310   9.4731   14.586   2.5417   13.673   2.6752 0.9120579 3.690114 
1 1 1   29   12   -5 o   20.251   1.4342   56.237   7.7506   56.389   12.367   56.140   9.9463   19.938   2.3548   20.092   1.8644 -0.1539288 3.003517 
1 1 1   29   12   -4 o   23.027   1.3077   72.394   8.0542   70.232   11.808   74.275   11.014   22.444   1.9791   23.164   1.7840 -0.7199726 2.664520 
1 1 1   29   12   -3 o   22.264   1.3301   67.734   7.9176   58.717   10.673   78.771   11.807   20.515   1.9608   23.828   1.8596 -3.313454 2.702430 
1 1 1   29   12   -2 o   42.388   0.9779  243.121   11.134  238.023   15.689  248.293   15.802   41.777   1.3982   42.678   1.3786 -0.9008293 1.963507 
1 1 1   29   12   -1 o   7.9752   2.9292   7.7309   8.2309  -1.5259   11.305   18.174   12.007   7.0129   3.0887   11.085   3.5580 -4.072093 4.711630 
1 1 1   29   12    0 f   26.684   1.2355   96.779   8.8548   90.620   11.089  107.614   14.709   25.664   1.6170   27.813   1.9819 -2.149670 2.557882 
1 1 1   29   12    1 o   9.7225   3.1825   13.505   9.5789   18.374   14.455   9.6923   12.791   11.281   3.9098   9.2968   3.5979 1.984644 5.313324 
1 1 1   29   12    2 o   17.995   2.1845   45.709   10.342   41.619   10.658  111.700   42.809   17.080   2.3885   24.652   6.4066 -7.572206 6.837334 
1 1 1   29   12    3 o   11.337   2.8703   19.062   8.7489   19.556   10.465   17.915   15.946   11.423   3.2537   11.315   4.0890 0.1075726 5.225582 
1 1 1   29   12    4 o   6.7216   2.7654   2.7103   8.0358   5.8572   9.7211  -4.0800   14.280   7.8718   3.1099   7.5370   3.3854 0.3348026 4.597005 
1 1 1   29   12    5 o   34.360   1.1561  160.232   10.670  158.141   13.688  163.470   17.033   34.014   1.4982   34.379   1.8515 -0.3646507 2.381765 
1 1 1   29   12    6 f   25.756   1.3124   90.532   9.0490  101.125   11.506   73.360   14.650   27.128   1.5861   22.731   2.4377 4.396969 2.908239 
1 1 1   29   12    7 o   22.081   1.4274   66.799   8.4198   82.721   10.932   43.579   13.201   24.495   1.6716   17.229   2.9593 7.265356 3.398798 
1 1 1   29   12    8 o   20.967   1.4686   60.333   8.2183   58.053   10.410   64.105   13.389   20.411   1.9215   21.256   2.3864 -0.8453293 3.063845 
1 1 1   29   12    9 o   25.344   1.3486   87.750   9.1468   89.167   11.200   84.912   15.849   25.443   1.6478   24.463   2.4448 0.9796715 2.948301 
1 1 1   29   12   10 o   28.847   1.2359  113.128   9.5756  128.085   11.928   86.019   16.059   30.625   1.4501   24.611   2.4624 6.014112 2.857695 
1 1 1   29   12   11 o   8.9175   2.9824   11.075   8.3978   9.6261   11.199   12.936   12.693   8.9877   3.3941   9.9304   3.6390 -0.9427299 4.976190 
1 1 1   29   12   12 o   24.535   1.4567   82.521   9.5562   92.327   11.603   61.844   16.848   25.872   1.6788   20.453   3.1695 5.419031 3.586680 
1 1 1   29   12   13 o   5.3681   2.4390  -3.8784   7.6669  -1.3242   9.6093  -8.3523   12.718   6.4895   2.8532   6.5836   3.0461 -0.9415960E-01 4.173672 
1 1 1   29   12   14 o   7.2537   2.8379   5.1263   8.0252   1.5593   10.225   10.848   12.950   7.1592   3.0436   9.5188   3.6365 -2.359623 4.742106 
1 1 1   29   12   15 o   29.099   1.2686  115.299   9.9155  113.769   12.938  117.478   15.436   28.709   1.6852   29.021   1.9923 -0.3115616 2.609450 
1 1 1   29   12   16 o   15.841   1.9661   35.326   8.1853   36.921   10.876   33.243   12.430   15.924   2.6351   14.830   3.2136 1.094476 4.155828 
1 1 1   29   12   17 o   18.689   1.7272   48.563   8.5718   61.424   12.607   37.505   11.690   20.781   2.2970   15.945   2.8334 4.836872 3.647526 
1 1 1   29   12   18 o   27.928   1.2632  106.339   9.4753  110.270   13.914  102.939   12.940   28.144   1.8509   27.225   1.7793 0.9186516 2.567474 
1 1 1   29   12   19 o   16.690   1.9583   39.302   8.6120   60.734   12.574   20.366   11.819   20.617   2.3105   11.497   3.5076 9.119637 4.200196 
1 1 1   29   12   20 o   6.6518   2.7137   3.2250   7.6571  -7.6823   10.278   16.830   11.479   5.8044   2.7036   10.568   3.4850 -4.763727 4.410764 
1 1 1   29   12   21 o   10.202   2.9979   15.779   8.7582   9.5324   12.770   21.328   12.035   9.0774   3.5713   11.661   3.5355 -2.583323 5.025302 
1 1 1   29   12   22 o   21.547   1.6185   64.616   9.2981   74.821   13.598   55.653   12.743   22.839   2.2457   19.531   2.4854 3.307791 3.349668 
1 1 1   29   12   23 o   18.144   1.7808   46.378   8.5667   45.037   11.992   47.776   12.242   17.407   2.6486   17.958   2.6148 -0.5507030 3.721845 
1 1 1   29   12   24 o   7.2590   2.9236   5.0126   8.7581   0.1392   11.645   11.360   13.289   7.1470   3.1416   9.3441   3.6530 -2.197168 4.818101 
1 1 1   29   12   25 o   25.100   1.4876   87.631   9.9839   91.159   12.944   82.450   15.686   25.317   1.9178   23.611   2.5121 1.706194 3.160439 
1 1 1   29   12   26 o   8.7952   2.9004   11.735   7.9504   2.1216   10.850   22.882   11.684   7.1696   3.0930   11.766   3.4641 -4.595982 4.643985 
1 1 1   29   12   27 o   23.220   1.5298   75.573   9.4873   71.405   13.545   79.587   13.293   21.978   2.3301   23.375   2.1410 -1.397358 3.164390 
1 1 1   29   12   28 o   6.6523   2.9111   0.9107   9.9011   21.346   19.631  -6.0615   11.466   11.067   4.4044   6.1669   2.8668 4.900341 5.255218 
1 1 1   29   12   29 o   20.052   2.8212   63.073   14.774  115.200   33.640   50.615   16.445   22.963   5.5219   17.078   3.6928 5.885618 6.642908 
1 1 1   29   12   30 o   9.0354   3.6477   11.972   13.669 -15.7300   30.227   19.094   15.326   8.6247   4.1836   10.372   3.9576 -1.747246 5.758920 
1 1 1   29   12   31 o   12.482   4.5109   33.305   19.406   0.0000   0.0000   33.305   19.406  ?   ?    12.482   4.5109 0.000000 4.510890 
1 1 1   29   13  -25 o   10.228   4.5339   11.960   24.746   11.960   24.746   0.0000   0.0000   10.228   4.5339  ?   ?  0.000000 4.533916 
1 1 1   29   13  -24 o   7.2258   3.3614  -6.6864   15.807  -6.6864   15.807   0.0000   0.0000   7.2258   3.3614  ?   ?  0.000000 3.361405 
1 1 1   29   13  -23 o   8.3700   3.6631   3.5192   15.679   3.5192   15.679   0.0000   0.0000   8.3700   3.6631  ?   ?  0.000000 3.663083 
1 1 1   29   13  -22 o   27.439   1.9720  107.497   14.436  101.410   19.473  114.925   21.511   25.837   2.8537   27.386   2.9720 -1.549280 4.120270 
1 1 1   29   13  -21 o   10.237   3.5540   16.321   11.946   31.798   16.237  -1.9421   17.637   13.568   4.1050   8.2300   3.7234 5.337731 5.542067 
1 1 1   29   13  -20 o   14.689   3.3606   34.319   12.971   22.051   17.334   49.932   19.555   11.651   4.2552   17.023   4.2811 -5.372320 6.036071 
1 1 1   29   13  -19 o   17.954   2.8545   48.501   13.304   41.500   17.755   57.464   20.090   15.667   4.1525   18.546   4.1382 -2.879451 5.862371 
1 1 1   29   13  -18 o   7.2046   3.0049   3.2969   9.6701   16.631   16.187  -4.1030   12.058   10.748   4.0753   6.7591   3.0663 3.989304 5.100050 
1 1 1   29   13  -17 o   13.527   3.0428   27.991   10.787   37.580   24.978   25.793   11.960   14.526   5.1323   12.808   3.4144 1.717955 6.164330 
1 1 1   29   13  -16 o   14.722   3.3126   33.539   12.782   0.0000   0.0000   33.539   12.782  ?   ?    14.722   3.3126 0.000000 3.312561 
1 1 1   29   13  -15 o   14.578   2.9561   31.986   11.179   8.6090   23.525   38.804   12.705   10.653   4.5747   16.036   3.0613 -5.383822 5.504485 
1 1 1   29   13  -14 o   9.3710   2.5856   12.988   6.7199   13.841   8.1613   11.193   11.842   9.6557   2.9078   9.3292   3.4969 0.3264971 4.547963 
1 1 1   29   13  -13 o   18.914   1.3950   49.197   7.0365   50.204   8.8998   47.517   11.492   18.975   1.7665   18.173   2.4142 0.8026581 2.991515 
1 1 1   29   13  -12 o   19.631   1.4003   52.964   7.3347   47.707   9.1324   62.519   12.311   18.461   1.8675   20.994   2.2169 -2.532646 2.898614 
1 1 1   29   13  -11 o   7.4364   2.6096   7.2244   6.4488   10.373   8.2972   2.4209   10.249   8.6628   2.9642   7.2910   3.0705 1.371800 4.267867 
1 1 1   29   13  -10 o   34.296   0.9939  159.375   9.1555  164.278   13.269  154.919   12.649   34.657   1.4255   33.666   1.3988 0.9903831 1.997179 
1 1 1   29   13   -9 o   31.882   0.9704  137.658   8.3099  129.295   11.213  147.849   12.378   30.776   1.3564   32.892   1.4010 -2.116405 1.950085 
1 1 1   29   13   -8 o   11.604   2.3460   19.561   7.0604   15.198   8.8676   27.117   11.670   10.127   3.0269   13.345   3.2791 -3.218583 4.462558 
1 1 1   29   13   -7 o   25.957   1.1096   91.459   7.7360   94.357   10.774   88.376   11.115   26.195   1.5381   25.306   1.6442 0.8889446 2.251452 
1 1 1   29   13   -6 o   32.625   1.0189  144.229   8.9283  143.852   13.165  144.551   12.149   32.408   1.5124   32.536   1.3902 -0.1278305 2.054322 
1 1 1   29   13   -5 o   9.4780   2.5955   13.185   6.8016   12.924   9.5818   13.450   9.6565   9.5329   3.1858   9.6817   3.1966 -0.1488447 4.513041 
1 1 1   29   13   -4 o   6.4364   2.6076   2.9926   7.0118   2.3038   9.4811   3.8242   10.417   7.0680   2.9637   7.6168   3.1429 -0.5488105 4.319893 
1 1 1   29   13   -3 o   18.160   1.5972   45.578   7.7111   35.029   11.223   55.010   10.612   15.441   2.8097   19.803   2.0236 -4.361949 3.462595 
1 1 1   29   13   -2 o   14.013   2.0790   27.862   7.5874   21.834   11.435   32.603   10.141   11.981   3.3973   14.967   2.6181 -2.986170 4.289014 
1 1 1   29   13   -1 o   16.853   1.9193   39.794   8.5326   54.248   13.976   31.204   10.774   19.318   2.7730   14.533   2.8619 4.785205 3.984918 
1 1 1   29   13    0 o   8.6822   2.9465   10.392   8.1979   0.6999   11.979   18.928   11.243   7.5192   3.2469   11.217   3.4208 -3.698092 4.716387 
1 1 1   29   13    1 o   35.752   1.0313  173.218   9.9034  170.607   12.817  177.085   15.601   35.369   1.3492   35.914   1.6173 -0.5454521 2.106189 
1 1 1   29   13    2 o   24.343   1.2396   80.826   8.0783   92.216   11.268   68.779   11.588   25.865   1.6303   22.190   1.9646 3.674898 2.552926 
1 1 1   29   13    3 o   19.653   1.6180   53.367   8.4651   53.278   10.591   53.523   14.086   19.473   2.0560   19.160   2.8217 0.3125763 3.491321 
1 1 1   29   13    4 o   35.827   1.0884  174.132   10.473  159.678   14.231  191.208   15.468   34.130   1.5524   37.353   1.5418 -3.223179 2.187931 
1 1 1   29   13    5 o   11.255   2.5385   18.595   7.4912   24.024   10.017   11.706   11.284   12.664   2.9923   9.4362   3.4352 3.228156 4.555745 
1 1 1   29   13    6 o   29.289   1.1476  116.522   9.0278  120.468   12.014  111.403   13.683   29.620   1.5152   28.350   1.8064 1.270252 2.357677 
1 1 1   29   13    7 o   24.136   1.3085   79.630   8.4513   83.370   11.175   74.634   12.916   24.551   1.7054   23.044   2.1103 1.506233 2.713198 
1 1 1   29   13    8 o   31.852   1.0784  137.649   9.2255  145.375   12.698  129.010   13.426   32.600   1.4502   30.592   1.6400 2.007956 2.189228 
1 1 1   29   13    9 o   9.3657   2.7721   12.863   7.4648   16.355   9.9019   8.2650   11.362   10.476   3.2131   8.6908   3.3832 1.785467 4.665884 
1 1 1   29   13   10 o   32.853   1.1310  146.629   9.9800  163.868   14.645  131.681   13.637   34.542   1.5784   30.893   1.6495 3.649532 2.283026 
1 1 1   29   13   11 o   14.594   2.1800   30.419   8.2834   33.020   10.458   26.039   13.570   14.998   2.6951   12.911   3.7140 2.087077 4.588824 
1 1 1   29   13   12 o   6.7999   2.7124   4.0099   7.4607   9.2775   9.9537  -2.7437   11.271   8.6272   3.2115   6.7801   3.0292 1.847104 4.414681 
1 1 1   29   13   13 o   32.088   1.0922  139.879   9.4132  141.062   12.928  138.543   13.733   32.061   1.5013   31.680   1.6193 0.3808784 2.208181 
1 1 1   29   13   14 o   7.9176   2.8461   8.1296   7.7128   8.5713   10.591   7.6308   11.254   8.5588   3.2842   8.4916   3.3489 0.6724358E-01 4.690497 
1 1 1   29   13   15 o   16.902   1.8571   40.152   8.2920   36.720   10.967   44.733   12.670   15.787   2.6824   17.389   2.8084 -1.602128 3.883618 
1 1 1   29   13   16 o   25.516   1.3010   89.247   8.8871   92.840   12.095   85.033   13.101   25.815   1.7549   24.568   2.0029 1.247314 2.662896 
1 1 1   29   13   17 o   5.6042   2.5383  -3.4167   8.2225   4.0725   11.454 -11.3795   11.811   7.8169   3.2662   5.9068   2.7969 1.910062 4.300076 
1 1 1   29   13   18 o   10.441   2.8727   16.608   8.3086   16.303   11.652   16.924   11.851   10.364   3.5129   10.522   3.5428 -0.1578035 4.989171 
1 1 1   29   13   19 o   6.3463   2.7103   1.2032   8.1752   5.8060   11.556  -3.4087   11.567   8.0890   3.3207   6.6808   3.0196 1.408202 4.488299 
1 1 1   29   13   20 o   17.594   1.8973   43.989   8.8240   56.102   11.459   26.338   13.832   19.714   2.2017   12.625   3.7819 7.089090 4.376055 
1 1 1   29   13   21 o   16.799   1.8890   40.232   8.3758   55.249   11.602   23.889   12.104   19.489   2.2583   12.098   3.5156 7.391511 4.178468 
1 1 1   29   13   22 o   24.846   1.3949   85.582   9.2710   88.498   13.440   82.934   12.805   24.840   2.0323   24.067   1.9990 0.7730179 2.850667 
1 1 1   29   13   23 o   42.403   1.1063  246.226   12.600  260.463   18.592  234.132   17.136   43.154   1.6040   40.961   1.5576 2.192898 2.235810 
1 1 1   29   13   24 o   8.1172   2.9757   9.3180   8.4880   5.1147   12.948   12.486   11.240   8.0343   3.4205   9.1529   3.4116 -1.118552 4.831018 
1 1 1   29   13   25 o   8.1098   3.0797   9.0651   9.2530   30.766   14.871  -4.6446   11.820   13.087   3.9216   6.4213   2.9589 6.665494 4.912601 
1 1 1   29   13   26 o   8.6243   3.2239   11.114   10.051 -14.4801   18.776   21.394   11.900   7.1115   3.4110   11.112   3.5395 -4.000155 4.915625 
1 1 1   29   13   27 o   14.528   4.0257   39.542   16.251   35.840   28.831   41.266   19.675   12.390   5.1798   14.149   4.5559 -1.759219 6.898314 
1 1 1   29   13   28 f   7.5050   3.4345  -0.8664   15.553  -2.7910   26.628   0.1302   19.162   8.8458   4.1918   8.1730   3.7666 0.6727724 5.635424 
1 1 1   29   13   29 o   9.7163   4.1771   15.569   19.652   0.0000   0.0000   15.569   19.652  ?   ?    9.7163   4.1771 0.000000 4.177093 
1 1 1   29   14  -23 o   8.3817   3.7095   4.5148   16.502   4.5148   16.502   0.0000   0.0000   8.3817   3.7095  ?   ?  0.000000 3.709544 
1 1 1   29   14  -22 o   7.4374   3.4137  -3.0540   15.525  -3.0540   15.525   0.0000   0.0000   7.4374   3.4137  ?   ?  0.000000 3.413709 
1 1 1   29   14  -21 o   5.7961   2.8372 -21.7410   14.817 -21.7410   14.817   0.0000   0.0000   5.7961   2.8372  ?   ?  0.000000 2.837192 
1 1 1   29   14  -20 o   13.166   3.5193   29.174   12.684   33.848   17.415   23.892   18.512   13.552   4.2782   11.600   4.3675 1.951571 6.113772 
1 1 1   29   14  -19 o   11.076   3.5648   20.331   12.047   11.601   16.026   31.670   18.266   9.5555   3.9153   13.135   4.3985 -3.579362 5.888669 
1 1 1   29   14  -18 o   10.431   3.5644   17.426   11.997   20.868   16.321   13.380   17.695   11.225   4.1245   10.067   4.1182 1.157787 5.828483 
1 1 1   29   14  -17 o   12.559   3.5761   25.991   12.643   26.005   17.392   25.976   18.413   12.273   4.2867   12.249   4.3981 0.2385426E-01 6.141574 
1 1 1   29   14  -16 o   12.575   3.5228   25.736   12.373   37.842   17.357   13.226   17.644   14.791   4.1824   10.165   4.1300 4.626153 5.877852 
1 1 1   29   14  -15 o   11.006   3.9467   19.004   14.823   37.160   26.016   10.276   18.038   14.087   5.2022   9.8447   4.1048 4.242222 6.626644 
1 1 1   29   14  -14 o   10.586   3.3979   17.428   10.951  -8.6570   25.773   23.174   12.097   9.2130   4.2879   12.031   3.5199 -2.818099 5.547588 
1 1 1   29   14  -13 o   21.559   1.8784   65.491   10.769   57.860   17.699   69.977   13.569   19.150   3.5724   22.022   2.3295 -2.871637 4.264824 
1 1 1   29   14  -12 o   26.653   1.2468   97.126   8.9258  105.171   11.514   85.012   14.129   27.556   1.5621   24.417   2.1773 3.139872 2.679711 
1 1 1   29   14  -11 o   11.818   2.3909   20.562   7.3285   22.519   9.3580   17.459   11.785   12.167   2.9039   10.687   3.5315 1.480234 4.572071 
1 1 1   29   14  -10 o   31.008   1.0713  130.746   8.9221  144.346   12.600  117.066   12.636   32.415   1.4472   29.066   1.6251 3.349279 2.176034 
1 1 1   29   14   -9 o   15.672   1.8795   34.656   7.7534   36.647   11.426   32.957   10.556   15.684   2.8158   14.894   2.7397 0.7903404 3.928718 
1 1 1   29   14   -8 o   7.9633   2.8104   8.4792   7.4876  -0.3584   10.044   19.537   11.234   6.7213   2.9369   11.256   3.4166 -4.534617 4.505373 
1 1 1   29   14   -7 o   7.5607   2.7685   7.1377   7.3442 -10.9117   11.255   20.524   9.6922   5.7941   2.7396   11.601   3.0648 -5.806628 4.110733 
1 1 1   29   14   -6 f   12.739   2.2518   23.490   7.4232   27.528   10.557   19.541   10.440   13.493   2.9915   11.293   3.2603 2.200026 4.424741 
1 1 1   29   14   -5 o   33.790   1.0212  154.941   9.2681  160.500   12.423  147.963   13.919   34.258   1.3501   32.783   1.5807 1.474472 2.078796 
1 1 1   29   14   -4 o   9.8900   2.5999   14.520   6.9974   18.911   9.8356   10.020   9.9572   11.147   3.1472   8.7812   3.2223 2.365329 4.504266 
1 1 1   29   14   -3 o   14.961   1.8372   31.476   7.2275   32.677   10.050   30.189   10.401   14.931   2.6005   14.240   2.8193 0.6916275 3.835495 
1 1 1   29   14   -2 o   9.5742   2.9157   13.560   8.1721   28.637   13.273   4.3557   10.371   13.518   3.5937   7.6579   3.1450 5.860433 4.775525 
1 1 1   29   14   -1 o   23.322   1.3404   74.570   8.3615   89.196   12.301   62.009   11.400   25.303   1.8223   20.972   2.0501 4.331110 2.742888 
1 1 1   29   14    0 o   18.790   1.6470   49.017   8.2284   45.874   10.619   53.739   13.017   17.921   2.2562   19.246   2.5833 -1.325884 3.429864 
1 1 1   29   14    1 o   24.945   1.3229   85.229   8.8315   84.759   13.104   85.620   11.954   24.571   2.0030   24.795   1.8075 -0.2245159 2.697957 
1 1 1   29   14    2 o   20.417   1.6232   57.768   8.8279   49.117   13.639   64.004   11.581   18.225   2.8822   21.309   2.0487 -3.083921 3.536137 
1 1 1   29   14    3 o   21.698   1.3883   64.683   8.0489   67.815   11.057   61.152   11.739   22.014   1.8883   20.782   2.1334 1.232204 2.849056 
1 1 1   29   14    4 o   15.918   2.0319   35.920   8.4890   37.448   11.136   33.802   13.115   15.958   2.6941   14.803   3.3738 1.155564 4.317534 
1 1 1   29   14    5 o   25.207   1.3044   87.010   8.8013   78.419   11.376   99.823   13.892   23.720   1.7989   26.694   1.9511 -2.974230 2.653826 
1 1 1   29   14    6 f   14.392   2.0615   29.520   7.7413   33.007   10.434   25.249   11.547   14.950   2.6975   12.774   3.3309 2.176221 4.286218 
1 1 1   29   14    7 o   9.0682   2.8071   12.069   7.5374   9.6475   9.7922   15.591   11.807   8.6503   3.1922   10.296   3.5357 -1.645741 4.763500 
1 1 1   29   14    8 o   32.315   1.1768  142.276   10.214  136.153   14.183  148.872   14.720   31.332   1.6916   32.775   1.6778 -1.442848 2.382551 
1 1 1   29   14    9 o   10.378   2.7513   16.186   7.7934   22.000   10.286   8.3480   11.942   11.958   3.1562   8.7297   3.4475 3.228599 4.674063 
1 1 1   29   14   10 o   24.667   1.3152   83.481   8.6821   94.179   11.784   70.780   12.840   26.025   1.6951   22.300   2.1713 3.725262 2.754601 
1 1 1   29   14   11 o   5.5997   2.4919  -1.8325   7.5463   10.604   9.9629 -18.5707   11.558   8.8660   3.2278   5.2161   2.5430 3.649917 4.109184 
1 1 1   29   14   12 o   19.310   1.6493   51.994   8.4721   47.994   11.533   56.683   12.487   18.169   2.4237   19.780   2.3995 -1.610605 3.410533 
1 1 1   29   14   13 o   27.024   1.2305   99.859   8.9317   94.652   11.758  106.963   13.734   26.056   1.6891   27.597   1.8638 -1.540504 2.515347 
1 1 1   29   14   14 o   5.0889   2.3568  -5.2573   7.6389  -0.0499   10.432 -11.2788   11.217   6.8238   2.9871   5.6956   2.7053 1.128219 4.030041 
1 1 1   29   14   15 o   23.603   1.4224   77.054   8.9752   83.459   12.608   70.472   12.780   24.265   1.9510   22.144   2.1768 2.120806 2.923168 
1 1 1   29   14   16 o   7.1623   2.8306   5.3433   8.0563  -2.5735   10.972   14.606   11.868   6.5788   2.9601   9.8653   3.5321 -3.286526 4.608482 
1 1 1   29   14   17 o   14.576   2.4300   31.569   9.1782   44.383   14.243   22.469   12.003   16.734   3.2861   11.724   3.5254 5.010246 4.819425 
1 1 1   29   14   18 o   7.0513   2.9974   2.7106   9.9156   2.8050   18.087   2.6701   11.856   8.7567   3.8791   7.5176   3.2382 1.239089 5.053092 
1 1 1   29   14   19 o   6.7684   2.8722   2.5135   9.0772   1.6136   11.917   3.7572   14.010   7.3396   3.2033   8.0935   3.5031 -0.7538886 4.746877 
1 1 1   29   14   20 o   5.8737   2.6256  -1.5189   8.4801  -6.7160   12.018   3.6342   11.967   6.2880   2.9271   7.6197   3.2672 -1.331702 4.386658 
1 1 1   29   14   21 o   26.974   1.3637  101.209   9.8477  103.106   14.736   99.678   13.237   26.632   2.0765   26.362   1.8819 0.2698097 2.802393 
1 1 1   29   14   22 o   26.018   1.4297   94.701   9.9527   95.681   14.322   93.786   13.840   25.569   2.1042   25.367   2.0489 0.2020531 2.936899 
1 1 1   29   14   23 o   12.129   3.1349   24.490   10.287   32.892   15.408   17.733   13.817   13.299   3.9932   10.179   3.7848 3.119896 5.501866 
1 1 1   29   14   24 o   23.836   1.8839   82.516   11.963   75.731   19.909   86.349   14.965   20.796   3.6999   23.885   2.3638 -3.088562 4.390513 
1 1 1   29   14   25 o   10.493   3.9319   20.445   14.968   21.440   27.022   20.005   17.979   10.697   4.7399   10.389   4.1872 0.3078508 6.324450 
1 1 1   29   14   26 o   6.3244   3.1023 -21.7293   17.999   21.230   24.725 -70.1600   26.252   10.459   4.5880   6.0030   3.0511 4.455822 5.509899 
1 1 1   29   14   27 f   6.9911   3.3415  -9.3262   17.673 -12.5500   23.333  -4.9880   27.068   7.6358   3.6972   8.4759   4.0734 -0.8400803 5.501079 
1 1 1   29   15  -22 o   17.714   5.1589   73.200   26.039   73.200   26.039   0.0000   0.0000   17.714   5.1589  ?   ?  0.000000 5.158947 
1 1 1   29   15  -21 o   6.6791   3.1616  -8.5525   15.067  -8.5525   15.067   0.0000   0.0000   6.6791   3.1616  ?   ?  0.000000 3.161615 
1 1 1   29   15  -20 o   11.732   4.2440   27.023   17.184   27.023   17.184   0.0000   0.0000   11.732   4.2440  ?   ?  0.000000 4.243977 
1 1 1   29   15  -19 o   9.1704   3.8501   11.105   16.032   11.105   16.032   0.0000   0.0000   9.1704   3.8501  ?   ?  0.000000 3.850051 
1 1 1   29   15  -18 o   7.1468   3.1403   1.6233   11.626   1.8417   16.447   1.4051   16.437   8.1125   3.6393   8.0622   3.6258 0.5026340E-01 5.137222 
1 1 1   29   15  -17 o   13.783   3.3182   31.626   12.136   35.538   16.150   26.553   18.394   13.934   4.0643   11.893   4.3773 2.041507 5.973216 
1 1 1   29   15  -16 o   11.697   3.6418   23.498   12.666   24.714   17.505   22.162   18.349   11.686   4.2749   11.237   4.3202 0.4488554 6.077768 
1 1 1   29   15  -15 o   8.3300   3.3594   8.1809   11.581   15.661   15.887  -0.3010   16.917   10.132   3.9843   8.1047   3.6585 2.027240 5.409148 
1 1 1   29   15  -14 o   7.3444   3.3661  -4.1378   15.019   5.6450   25.810  -9.1465   18.468   9.9875   4.5127   7.6172   3.5727 2.370326 5.755736 
1 1 1   29   15  -13 o   8.5090   3.9404  -5.2380   21.348 -43.5200   26.553   64.730   35.898   7.2468   3.5942   16.401   6.1002 -9.154255 7.080249 
1 1 1   29   15  -12 o   8.1047   3.5592   2.1000   14.915  -0.4305   24.900   3.5159   18.626   9.4884   4.3434   8.9394   3.9494 0.5490761 5.870525 
1 1 1   29   15  -11 f   14.644   3.3020   34.294   12.678   27.040   17.001   43.379   19.027   12.482   4.2432   15.604   4.3674 -3.122253 6.089253 
1 1 1   29   15  -10 o   13.541   2.8551   28.204   10.057   26.214   11.665   33.966   19.849   12.760   3.3579   13.711   4.5852 -0.9507389 5.683314 
1 1 1   29   15   -9 o   9.5795   3.0134   14.042   8.6470   10.055   10.141   24.663   16.552   8.6549   3.2376   12.113   4.1846 -3.458124 5.290890 
1 1 1   29   15   -8 o   12.448   2.5569   23.265   8.2627   26.281   12.762   21.089   10.842   12.709   3.5839   11.517   3.3215 1.191735 4.886380 
1 1 1   29   15   -7 f   14.078   2.0777   28.592   7.6200   25.211   11.069   31.638   10.506   12.635   3.2448   14.441   2.8096 -1.806204 4.292161 
1 1 1   29   15   -6 o   23.394   1.3760   75.509   8.6082   86.813   12.291   64.626   12.060   24.826   1.8567   21.236   2.1437 3.590151 2.835943 
1 1 1   29   15   -5 o   7.8618   2.7840   8.4088   7.3535  -4.0904   10.622   19.911   10.190   6.3077   2.8679   11.278   3.2101 -4.970431 4.304574 
1 1 1   29   15   -4 o   21.605   1.4587   64.603   8.4154   60.963   12.241   67.865   11.588   20.572   2.2522   21.871   1.9945 -1.299545 3.008441 
1 1 1   29   15   -3 o   20.947   1.6272   61.162   9.0833   78.179   14.939   51.182   11.441   23.202   2.4334   18.803   2.3142 4.399441 3.358181 
1 1 1   29   15   -2 o   13.899   2.1952   27.999   7.9225   40.727   11.470   16.385   10.956   16.557   2.6700   10.340   3.4045 6.216385 4.326648 
1 1 1   29   15   -1 o   24.046   1.4634   79.935   9.4068   92.961   12.828   64.782   13.836   25.712   1.8703   21.072   2.4929 4.639620 3.116465 
1 1 1   29   15    0 o   24.479   1.4141   82.673   9.2583   95.510   14.750   74.327   11.893   25.887   2.1405   22.934   1.9492 2.953554 2.895041 
1 1 1   29   15    1 o   38.748   1.1496  204.853   11.964  232.896   18.073  182.978   15.962   40.981   1.6420   36.328   1.6359 4.652115 2.317768 
1 1 1   29   15    2 o   18.893   1.6662   49.896   8.3689   42.581   11.905   57.042   11.767   16.911   2.7127   19.910   2.2393 -2.998863 3.517519 
1 1 1   29   15    3 o   9.5588   2.9717   13.793   8.4371   15.335   13.020   12.676   11.078   10.205   3.6938   9.4405   3.4087 0.7647753 5.026291 
1 1 1   29   15    4 o   18.215   1.7712   46.662   8.5557   56.052   12.366   38.040   11.850   19.633   2.3947   15.853   2.8895 3.779940 3.752809 
1 1 1   29   15    5 o   10.121   2.9622   15.695   8.5662   14.632   11.692   16.928   12.586   9.9317   3.5112   10.510   3.6481 -0.5787592 5.063257 
1 1 1   29   15    6 o   23.143   1.5261   74.347   9.4329   89.601   13.145   58.150   13.545   25.157   1.9608   19.847   2.6037 5.310873 3.259478 
1 1 1   29   15    7 f   28.674   1.4008  113.226   10.788  134.765   16.427   96.890   14.306   30.839   1.9939   26.086   2.0586 4.753393 2.865862 
1 1 1   29   15    8 o   9.2140   3.0413   12.716   8.7409   2.9558   10.898   30.315   14.634   7.4102   3.1460   13.493   3.8492 -6.082403 4.971298 
1 1 1   29   15    9 o   17.971   1.8752   45.864   8.9182   64.809   12.379   25.423   12.859   21.184   2.2082   12.459   3.6244 8.724862 4.244153 
1 1 1   29   15   10 o   35.311   1.1203  170.398   10.625  189.937   15.647  153.678   14.474   36.968   1.5758   33.220   1.6222 3.748749 2.261604 
1 1 1   29   15   11 f   11.484   2.8233   20.441   8.6474   18.934   12.263   21.930   12.196   10.837   3.6035   11.572   3.5687 -0.7351685 5.071590 
1 1 1   29   15   12 o   24.129   1.4826   81.040   9.5620   84.273   13.506   77.791   13.539   24.189   2.0997   23.156   2.2034 1.032701 3.043641 
1 1 1   29   15   13 o   38.116   1.0775  198.647   11.031  202.634   15.916  194.961   15.303   38.132   1.5540   37.431   1.5221 0.7013054 2.175292 
1 1 1   29   15   14 o   8.5490   2.9996   10.797   8.5202  -4.4827   12.025   26.203   12.074   6.5622   3.0092   12.553   3.4667 -5.990626 4.590579 
1 1 1   29   15   15 o   8.3743   2.9710   10.294   8.3783   10.249   11.830   10.338   11.867   8.7626   3.4406   8.7846   3.4470 -0.2192020E-01 4.870258 
1 1 1   29   15   16 o   6.6358   2.8027   2.7583   8.5784  -8.6303   12.239   13.757   12.028   6.1334   2.8868   9.4597   3.5285 -3.326242 4.558900 
1 1 1   29   15   17 o   16.925   2.5768   43.796   11.344   46.319   15.535   40.914   16.605   16.498   3.6064   15.035   4.0299 1.463050 5.407965 
1 1 1   29   15   18 o   23.566   1.7162   79.192   10.788   76.737   16.316   81.100   14.381   22.176   2.8018   23.296   2.3296 -1.119833 3.643787 
1 1 1   29   15   19 o   11.617   3.0991   22.447   9.8485   12.394   12.886   36.566   15.272   9.0922   3.5842   14.145   3.8958 -5.052284 5.293749 
1 1 1   29   15   20 o   9.4015   3.4893   14.561   11.733   4.1599   17.596   22.890   15.745   8.4191   3.7715   11.045   4.0522 -2.625858 5.535720 
1 1 1   29   15   21 o   15.965   3.0091   41.897   12.430   39.853   15.579   45.477   20.620   14.593   3.9000   14.516   4.6630 0.7728672E-01 6.078931 
1 1 1   29   15   22 o   19.479   2.7504   60.712   13.989   67.091   19.132   53.382   20.508   19.093   3.8634   15.878   4.5652 3.214576 5.980513 
1 1 1   29   15   23 o   13.758   3.6086   34.963   13.500   51.000   18.140   15.056   20.211   15.957   4.1819   9.5822   4.1772 6.374360 5.910781 
1 1 1   29   15   24 o   7.7264   3.4525   4.2546   14.647   13.700   23.244  -1.9662   18.864   9.4486   4.2746   7.7045   3.6127 1.744160 5.596780 
1 1 1   29   16  -20 o   9.7277   3.8201   17.952   14.587   17.952   14.587   0.0000   0.0000   9.7277   3.8201  ?   ?  0.000000 3.820143 
1 1 1   29   16  -19 o   6.9973   3.3124  -6.7563   16.543  -6.7563   16.543   0.0000   0.0000   6.9973   3.3124  ?   ?  0.000000 3.312407 
1 1 1   29   16  -18 o   7.9261   3.7850  -7.4660   22.568  -7.4660   22.568   0.0000   0.0000   7.9261   3.7850  ?   ?  0.000000 3.784951 
1 1 1   29   16  -17 o   7.8328   3.4464   4.5543   14.044   24.591   17.050 -37.7300   24.769   11.096   4.1884   6.8005   3.3890 4.295524 5.387771 
1 1 1   29   16  -16 o   7.6940   3.2741   5.7258   11.854  -7.8573   16.372   20.693   17.186   7.0105   3.3115   10.525   4.1424 -3.514533 5.303329 
1 1 1   29   16  -15 o   10.842   3.9528   21.733   14.948   53.690   26.253   6.4025   18.184   14.902   5.2621   8.7289   3.8771 6.172783 6.536113 
1 1 1   29   16  -14 o   20.372   2.9186   66.228   15.513   58.132   19.043   82.200   26.747   17.753   4.0793   19.747   5.0292 -1.993681 6.475649 
1 1 1   29   16  -13 o   7.4461   3.2301   3.3370   11.964   4.9229   16.057   1.3578   17.938   8.3714   3.6842   8.2610   3.7447 0.1103296 5.253175 
1 1 1   29   16  -12 o   10.510   3.9061   19.083   14.714   43.870   24.938   5.8478   18.224   14.029   5.1069   8.8284   3.9032 5.200327 6.427673 
1 1 1   29   16  -11 o   10.613   3.8859   19.362   14.469   38.740   23.945   8.2192   18.158   13.459   4.9868   9.1412   3.9724 4.318031 6.375600 
1 1 1   29   16  -10 o   9.7163   3.8133   14.381   14.526   0.6176   23.807   22.545   18.335   9.1401   4.2071   11.242   4.3193 -2.101485 6.029602 
1 1 1   29   16   -9 o   33.778   1.7221  161.652   15.572  178.414   21.369  142.669   22.740   34.794   2.2995   30.446   2.8126 4.348383 3.632920 
1 1 1   29   16   -8 o   18.439   3.3900   55.556   16.170   59.229   17.879   39.050   37.905   18.758   3.6801   13.174   5.7321 5.583370 6.811785 
1 1 1   29   16   -7 o   7.8572   3.1100   7.3659   9.7387   6.3696   10.713   12.110   23.376   7.8362   3.2048   10.281   4.4868 -2.444797 5.513781 
1 1 1   29   16   -6 o   10.067   2.9747   16.088   8.6018   8.6480   11.016   27.713   13.769   8.3454   3.3062   12.678   3.7678 -4.332474 5.012732 
1 1 1   29   16   -5 o   13.250   2.5272   26.659   8.6656   24.155   11.017   30.723   14.034   12.144   3.2941   13.386   3.7523 -1.241261 4.993082 
1 1 1   29   16   -4 o   11.133   2.9213   19.603   8.8449   24.110   11.659   13.492   13.576   12.066   3.4334   9.6203   3.7113 2.445275 5.055919 
1 1 1   29   16   -3 o   6.5643   2.7965   2.0180   8.6658  -7.2475   11.320   15.136   13.469   6.0554   2.8261   9.9437   3.7290 -3.888304 4.678976 
1 1 1   29   16   -2 o   14.162   2.4782   30.162   9.0830   39.277   11.868   17.275   14.112   15.925   2.8807   10.413   3.8339 5.512131 4.795478 
1 1 1   29   16   -1 o   10.680   2.9734   18.056   8.8438   21.571   11.505   12.980   13.827   11.441   3.4540   9.5719   3.7306 1.869473 5.084044 
1 1 1   29   16    0 o   14.904   2.4043   33.127   9.2968   32.258   12.202   34.331   14.354   14.127   3.2789   14.250   3.7129 -0.1229095 4.953437 
1 1 1   29   16    1 o   14.338   2.5339   31.031   9.4012   36.380   13.461   25.936   13.136   14.908   3.4326   12.390   3.6796 2.518106 5.032073 
1 1 1   29   16    2 o   14.463   2.4316   31.315   9.1108   42.184   11.873   15.753   14.208   16.604   2.7592   10.119   3.8226 6.484567 4.714361 
1 1 1   29   16    3 o   24.145   1.4665   81.245   9.4653   72.950   13.005   90.590   13.803   22.381   2.1914   25.061   2.0691 -2.679575 3.013925 
1 1 1   29   16    4 o   5.6572   2.5986  -4.3895   9.0199   0.7600   13.034  -9.1226   12.496   7.4751   3.3031   6.2004   2.9179 1.274647 4.407314 
1 1 1   29   16    5 o   22.535   1.8734   72.520   11.236   82.445   19.118   67.282   13.888   22.818   3.2080   21.238   2.4814 1.580029 4.055700 
1 1 1   29   16    6 o   13.084   2.6272   26.280   8.9118   31.252   12.002   20.169   13.305   13.846   3.2781   10.958   3.7536 2.887235 4.983511 
1 1 1   29   16    7 o   17.047   2.3442   43.210   10.449   58.314   12.401   6.2422   19.401   19.808   2.3784   9.2103   4.0516 10.59812 4.698156 
1 1 1   29   16    8 o   9.0526   3.0721   12.703   8.9118   10.982   11.789   14.998   13.613   8.8827   3.4496   9.8342   3.7352 -0.9514818 5.084388 
1 1 1   29   16    9 o   14.491   2.7011   32.510   10.126   30.389   13.028   35.747   16.095   13.352   3.5656   14.072   4.0437 -0.7205448 5.391212 
1 1 1   29   16   10 o   6.4641   2.8467   0.2440   9.6011   15.770   11.718 -31.4680   16.747   9.8573   3.5118   5.7233   2.8412 4.134008 4.517244 
1 1 1   29   16   11 o   20.317   1.9435   59.793   10.476   56.106   12.834   67.153   18.136   19.190   2.5534   20.061   3.4927 -0.8709507 4.326490 
1 1 1   29   16   12 o   16.996   2.2516   43.112   10.025   44.905   12.998   40.480   15.752   16.741   3.0009   15.033   3.8762 1.708001 4.902099 
1 1 1   29   16   13 o   7.5899   3.0406   6.9119   9.4179   3.0656   12.132   12.744   14.939   7.4392   3.2398   9.3423   3.7985 -1.903119 4.992505 
1 1 1   29   16   14 o   7.5051   3.0134   6.7507   9.2735   20.349   12.014 -13.2941   14.586   10.767   3.5661   6.2459   2.9987 4.521173 4.659270 
1 1 1   29   16   15 o   9.7514   3.3205   16.096   10.411   17.130   14.840   15.093   14.611   9.9759   3.8712   9.6082   3.8074 0.3676929 5.429774 
1 1 1   29   16   16 o   8.4656   3.2480   10.869   10.359   20.299   12.807  -6.9740   17.616   10.584   3.6795   7.3168   3.4497 3.267655 5.043759 
1 1 1   29   16   17 o   15.570   2.8795   39.518   11.599   39.528   15.795   39.506   17.087   14.367   3.9640   14.031   4.2034 0.3360243 5.777745 
1 1 1   29   16   18 o   16.380   3.0118   44.669   12.762   78.423   18.852   16.116   17.339   21.231   3.4223   9.6576   4.0254 11.57357 5.283585 
1 1 1   29   16   19 o   10.033   3.8926   19.185   15.001   10.303   18.199   38.010   26.494   8.8791   3.9143   12.016   4.9895 -3.136840 6.341661 
1 1 1   29   16   20 o   8.4319   3.4993   10.681   13.021   8.4144   17.340   13.611   19.718   8.5053   3.7815   9.2499   4.0763 -0.7446136 5.560183 
1 1 1   29   16   21 f   24.078   2.3379   90.458   14.929  112.648   19.916   61.999   22.555   25.944   2.9081   16.068   4.8330 9.876440 5.640445 
1 1 1   29   17  -17 o   11.564   4.1784   30.264   16.650   30.264   16.650   0.0000   0.0000   11.564   4.1784  ?   ?  0.000000 4.178406 
1 1 1   29   17  -16 o   6.3801   3.0744 -11.2779   15.664 -11.2779   15.664   0.0000   0.0000   6.3801   3.0744  ?   ?  0.000000 3.074357 
1 1 1   29   17  -15 o   15.435   3.1299   41.253   12.531   38.002   17.500   44.674   17.952   13.146   4.3015   14.391   4.3080 -1.245617 6.087801 
1 1 1   29   17  -14 o   11.213   3.6267   24.039   12.457   38.613   17.556   9.2575   17.680   13.371   4.3034   8.6631   3.8366 4.707558 5.765273 
1 1 1   29   17  -13 o   6.5253   2.9863  -1.7156   11.761  -3.2390   16.776  -0.2428   16.494   7.3393   3.4304   7.5709   3.4910 -0.2316337 4.894372 
1 1 1   29   17  -12 o   16.782   2.9112   46.353   12.646   48.155   17.294   44.281   18.541   15.680   4.0705   14.485   4.3875 1.194945 5.984874 
1 1 1   29   17  -11 o   7.3352   3.3010   1.3498   13.650   3.0530   22.436   0.3490   17.199   8.7028   4.0334   7.8153   3.5893 0.8875113 5.399264 
1 1 1   29   17  -10 o   10.507   3.6042   20.076   12.268   12.081   17.267   28.225   17.432   9.1906   3.9323   11.722   4.2693 -2.531092 5.804300 
1 1 1   29   17   -9 o   18.967   3.1684   60.004   15.572   94.500   27.154   43.100   19.008   21.225   4.8668   14.390   4.4582 6.835128 6.600088 
1 1 1   29   17   -8 o   11.161   3.6218   22.580   12.416   19.166   17.231   26.267   17.906   10.294   4.1167   11.449   4.2984 -1.155040 5.951803 
1 1 1   29   17   -7 o   5.2049   2.5547 -18.9323   12.267 -30.7684   16.679  -4.9849   18.105   5.6467   2.8086   7.5959   3.5546 -1.949221 4.530265 
1 1 1   29   17   -6 o   10.595   3.9417   20.439   14.991   24.305   17.424   9.4220   29.412   11.218   4.2342   9.9892   4.6256 1.229082 6.270918 
1 1 1   29   17   -5 o   15.028   3.1629   37.549   12.363   49.482   14.277   1.7770   24.718   17.282   3.1934   9.0729   4.2149 8.208770 5.288029 
1 1 1   29   17   -4 o   24.083   1.7235   83.099   11.075   84.762   13.169   79.081   20.471   24.006   2.0624   21.291   3.7148 2.715111 4.248952 
1 1 1   29   17   -3 o   10.593   3.0409   18.621   9.1060   31.034   11.499  -2.2582   14.913   13.615   3.1987   7.3171   3.3538 6.297646 4.634622 
1 1 1   29   17   -2 o   21.054   1.8753   64.249   10.494   59.471   14.632   69.311   15.058   19.313   2.9110   21.061   2.7259 -1.748152 3.988064 
1 1 1   29   17   -1 o   26.143   1.4613   96.082   10.220   91.580   13.669  101.788   15.389   24.985   2.0551   26.179   2.2092 -1.193565 3.017253 
1 1 1   29   17    0 o   19.953   1.8978   57.825   10.048   65.732   12.734   44.776   16.358   20.925   2.3039   15.722   3.8941 5.202755 4.524606 
1 1 1   29   17    1 o   10.370   3.0767   17.858   9.1871   18.891   11.999   16.393   14.282   10.436   3.5646   9.9039   3.8105 0.5319347 5.217935 
1 1 1   29   17    2 o   16.262   2.4100   40.305   10.208   44.823   13.956   35.109   14.968   16.376   3.2872   13.849   3.8728 2.527644 5.079778 
1 1 1   29   17    3 o   20.896   1.7988   62.956   9.9975   67.589   13.253   56.836   15.230   21.139   2.3753   18.615   3.1590 2.524786 3.952385 
1 1 1   29   17    4 o   12.827   3.0189   27.091   10.228   10.615   14.338   44.164   14.595   8.8864   3.6786   16.020   3.4906 -7.133692 5.071151 
1 1 1   29   17    5 o   8.2501   3.1655   9.8708   9.8390   12.951   11.669   2.2937   18.301   9.0677   3.4548   8.3359   3.7801 0.7318211 5.121027 
1 1 1   29   17    6 o   7.7806   3.1344   7.5869   10.069   3.5699   14.159   11.697   14.323   7.8191   3.4495   9.0228   3.6996 -1.203701 5.058303 
1 1 1   29   17    7 o   5.2828   2.4849  -6.5761   9.0426  -6.1726   11.774  -7.1564   14.119   6.1384   2.8707   6.6175   3.1102 -0.4790587 4.232490 
1 1 1   29   17    8 o   21.942   2.0013   70.888   11.665   74.936   15.454   65.526   17.783   21.825   2.6933   19.431   3.5376 2.394173 4.446231 
1 1 1   29   17    9 o   14.627   2.7071   34.145   10.243   43.865   12.784   16.711   17.120   16.308   3.0301   9.8737   4.0463 6.434093 5.055105 
1 1 1   29   17   10 o   14.877   2.4980   34.608   9.6282   45.631   12.748   19.973   14.689   16.683   2.9531   10.362   3.8926 6.321325 4.886048 
1 1 1   29   17   11 o   8.8338   3.2214   12.875   9.9291   10.479   12.539   16.902   16.258   8.5081   3.4720   9.7783   3.9674 -1.270162 5.272147 
1 1 1   29   17   12 o   9.5853   3.1697   15.888   9.4930   32.393   12.533  -6.3253   14.539   13.417   3.4565   6.6818   3.1454 6.735117 4.673428 
1 1 1   29   17   13 o   15.690   2.6658   39.621   10.833   54.130   15.653   26.287   15.006   17.455   3.4611   11.412   3.9821 6.042496 5.276033 
1 1 1   29   17   14 o   12.209   3.5178   27.793   12.166   23.254   14.824   37.155   21.290   10.745   3.9334   12.381   4.6787 -1.636195 6.112445 
1 1 1   29   17   15 o   8.3644   3.3349   11.158   11.273  -3.4679   15.035   29.943   17.039   6.9383   3.2444   11.668   4.2253 -4.729554 5.327214 
1 1 1   29   17   16 o   16.933   3.1914   50.252   13.982   41.680   18.251   62.433   21.756   13.556   4.3903   16.427   4.6956 -2.871151 6.428385 
1 1 1   29   17   17 o   8.1342   3.6428   7.3670   16.403   37.770   27.261  -9.8867   20.536   11.332   4.8957   7.2184   3.4887 4.113495 6.011542 
1 1 1   29   18  -12 o   6.4379   2.9769  -1.5133   12.119 -17.4014   16.320   18.017   18.094   6.0129   2.9504   9.3582   4.0152 -3.345311 4.982633 
1 1 1   29   18  -11 o   6.6883   3.0597   0.0853   12.330   11.475   17.111 -12.2160   17.783   8.5958   3.7922   6.6169   3.2095 1.978909 4.968070 
1 1 1   29   18  -10 o   7.1479   3.1755   3.6888   12.205  -7.4437   17.027   15.453   17.503   6.8501   3.2757   9.1525   3.9386 -2.302458 5.122738 
1 1 1   29   18   -9 o   7.5606   3.3391   5.3591   13.301   22.180   20.691  -6.4877   17.365   10.042   4.3008   7.0049   3.3381 3.037230 5.444216 
1 1 1   29   18   -8 o   5.0457   2.4853 -18.1182   11.943 -30.9979   16.357  -3.4083   17.480   5.4045   2.7026   7.2912   3.4373 -1.886728 4.372515 
1 1 1   29   18   -7 o   8.2314   3.5614   8.9189   14.468   30.980   24.301  -3.1955   18.008   11.036   4.6919   7.4109   3.4922 3.625174 5.848854 
1 1 1   29   18   -6 o   9.5037   3.5535   16.744   12.214   18.513   16.324   14.495   18.409   9.7477   3.9678   9.2371   4.0068 0.5105495 5.638981 
1 1 1   29   18   -5 o   9.9552   3.7682   19.178   13.825   28.145   16.377  -3.0600   25.791   11.440   4.1424   8.3634   4.0078 3.076900 5.763883 
1 1 1   29   18   -4 o   12.943   3.9117   33.634   14.750   45.049   17.281   2.9930   28.312   14.743   4.1748   8.9448   4.2625 5.798277 5.966359 
1 1 1   29   18   -3 o   13.391   3.8641   35.376   14.668   20.215   17.205   75.730   28.068   10.073   4.0834   16.736   5.4463 -6.662277 6.807025 
1 1 1   29   18   -2 o   5.3206   2.5462  -9.2579   10.331  -7.0013   12.594 -13.9009   18.064   6.1310   2.8986   6.7198   3.2535 -0.5887671 4.357458 
1 1 1   29   18   -1 f   13.175   2.9795   29.512   10.296   30.269   12.241   27.680   19.039   12.826   3.4694   11.159   4.3697 1.666985 5.579557 
1 1 1   29   18    0 o   25.407   1.5785   92.726   10.719  102.779   13.865   77.789   16.899   26.275   1.9791   21.558   2.9999 4.717043 3.593911 
1 1 1   29   18    1 f   14.315   2.5055   32.608   9.2821   40.022   12.317   22.864   14.121   15.276   3.1077   10.734   3.8518 4.542101 4.949154 
1 1 1   29   18    2 o   16.433   2.3742   42.182   10.175   65.767   15.121   22.664   13.756   19.909   2.9139   10.722   3.8065 9.187642 4.793793 
1 1 1   29   18    3 o   9.0231   3.1980   14.129   9.7055   14.169   14.138   14.093   13.348   9.0869   3.6950   9.0471   3.6214 0.3976154E-01 5.173705 
1 1 1   29   18    4 o   12.161   3.0364   25.599   9.8878   25.837   12.425   25.187   16.327   11.623   3.6051   10.927   4.1041 0.6964331 5.462637 
1 1 1   29   18    5 o   5.2788   2.4837  -5.7836   9.0461 -12.2661   11.962   2.8776   13.826   5.4987   2.6587   7.4099   3.3296 -1.911250 4.260874 
1 1 1   29   18    6 o   13.201   3.0230   30.061   10.488   39.553   14.841   20.591   14.824   14.225   3.8085   10.143   3.8870 4.082072 5.441791 
1 1 1   29   18    7 o   7.2202   3.0417   5.9254   10.062   18.195   14.399  -5.7844   14.067   9.6918   3.7988   6.5175   3.0758 3.174320 4.887887 
1 1 1   29   18    8 o   21.773   1.8719   70.459   10.840   81.363   13.766   52.659   17.588   22.907   2.2671   16.065   4.0711 6.842180 4.659748 
1 1 1   29   18    9 o   7.6697   3.1006   8.6156   9.8906  -3.3040   12.256   30.869   16.747   6.3444   2.9542   11.705   4.1953 -5.360101 5.131033 
1 1 1   29   18   10 o   17.315   2.1938   46.511   9.9740   45.307   13.187   48.119   15.247   15.980   3.1841   15.835   3.6585 0.1457491 4.850099 
1 1 1   29   18   11 o   6.8645   3.0738   2.4481   11.675   7.4714   14.355  -7.3694   20.068   7.8897   3.4774   7.2629   3.4947 0.6267905 4.930030 
1 1 1   29   18   12 o   11.739   3.6990   28.301   13.023   37.219   16.390   13.024   21.451   12.814   4.1614   8.8945   4.0561 3.919456 5.811123 
1 1 1   29   19   -2 o   6.8994   3.1999   0.3226   14.158  -8.3051   16.856   20.990   26.088   6.6003   3.1827   9.3971   4.3532 -2.796842 5.392525 
1 1 1   29   19   -1 o   6.3206   2.9561  -2.6193   12.491  -1.0550   17.268  -4.3364   18.091   7.2053   3.4027   7.0597   3.3761 0.1456060 4.793382 
1 1 1   29   19    0 o   16.915   3.0697   51.148   13.433   82.676   18.646   17.130   19.368   20.946   3.4332   9.0723   4.0168 11.87380 5.284076 
1 1 1   29   19    1 o   6.0334   2.8601  -5.4275   12.418  -3.0289   16.934  -8.2183   18.265   7.0047   3.3261   6.8186   3.2941 0.1861463 4.681290 
1 1 1   29   19    2 o   7.5469   3.1020   8.8145   10.100   9.8703   12.187   6.4989   18.048   7.8870   3.3363   7.9333   3.6558 -0.4626751E-01 4.949368 
1 1 1   30    0  -38 o   13.676   5.1315   36.195   17.604   36.195   17.604   36.195   17.604   13.676   5.1315   13.676   5.1315 0.000000 0.000000 
1 1 1   30    0  -37 o   7.9836   4.7295   11.423   17.549   11.423   17.549   11.423   17.549   7.9836   4.7295   7.9836   4.7295 0.000000 0.000000 
1 1 1   30    0  -36 o   15.801   3.7008   39.695   13.650   39.695   13.650   39.695   13.650   15.801   3.7008   15.801   3.7008 0.000000 0.000000 
1 1 1   30    0  -35 o   16.546   3.3415   41.932   13.155   41.932   13.155   41.932   13.155   16.546   3.3415   16.546   3.3415 0.000000 0.000000 
1 1 1   30    0  -34 o   9.4117   4.3759   18.176   12.276   18.176   12.276   18.176   12.276   9.4117   4.3759   9.4117   4.3759 0.000000 0.000000 
1 1 1   30    0  -33 o   16.641   3.2993   42.167   13.103   42.167   13.103   42.167   13.103   16.641   3.2993   16.641   3.2993 0.000000 0.000000 
1 1 1   30    0  -32 o   38.651   1.6135  203.067   16.683  203.067   16.683  203.067   16.683   38.651   1.6135   38.651   1.6135 0.000000 0.000000 
1 1 1   30    0  -31 o   35.408   2.3688  173.046   22.296  173.046   22.296  173.046   22.296   35.408   2.3688   35.408   2.3688 0.000000 0.000000 
1 1 1   30    0  -30 o   5.5656   3.5715   0.9680   12.128   0.9680   12.128   0.9680   12.128   5.5656   3.5715   5.5656   3.5715 0.000000 0.000000 
1 1 1   30    0  -29 o   8.2327   4.2118   13.945   11.785   13.945   11.785   13.945   11.785   8.2327   4.2118   8.2327   4.2118 0.000000 0.000000 
1 1 1   30    0  -28 o   58.602   1.4630  464.354   22.995  464.354   22.995  464.354   22.995   58.602   1.4630   58.602   1.4630 0.000000 0.000000 
1 1 1   30    0  -27 o   6.4719   4.1067   2.6823   15.497   2.6823   15.497   2.6823   15.497   6.4719   4.1067   6.4719   4.1067 0.000000 0.000000 
1 1 1   30    0  -26 o   4.5092   3.0513  -5.0534   10.907  -5.0534   10.907  -5.0534   10.907   4.5092   3.0513   4.5092   3.0513 0.000000 0.000000 
1 1 1   30    0  -25 o   20.306   2.3632   58.146   12.433   58.146   12.433   58.146   12.433   20.306   2.3632   20.306   2.3632 0.000000 0.000000 
1 1 1   30    0  -24 o   47.714   1.4260  307.686   18.238  307.686   18.238  307.686   18.238   47.714   1.4260   47.714   1.4260 0.000000 0.000000 
1 1 1   30    0  -23 o   8.3705   4.1116   14.223   11.005   14.223   11.005   14.223   11.005   8.3705   4.1116   8.3705   4.1116 0.000000 0.000000 
1 1 1   30    0  -22 o   5.2102   3.3326   0.8284   10.455   0.8284   10.455   0.8284   10.455   5.2102   3.3326   5.2102   3.3326 0.000000 0.000000 
1 1 1   30    0  -21 o   24.571   1.9348   83.033   12.587   83.033   12.587   83.033   12.587   24.571   1.9348   24.571   1.9348 0.000000 0.000000 
1 1 1   30    0  -20 o   22.516   1.9972   70.063   11.860   70.063   11.860   70.063   11.860   22.516   1.9972   22.516   1.9972 0.000000 0.000000 
1 1 1   30    0  -19 o   6.9298   3.8420   9.0862   10.513   9.0862   10.513   9.0862   10.513   6.9298   3.8420   6.9298   3.8420 0.000000 0.000000 
1 1 1   30    0  -18 o   5.7280   3.6468   1.4281   12.341   1.4281   12.341   1.4281   12.341   5.7280   3.6468   5.7280   3.6468 0.000000 0.000000 
1 1 1   30    0  -17 o   7.6786   4.4577   10.104   15.065   10.104   15.065   10.104   15.065   7.6786   4.4577   7.6786   4.4577 0.000000 0.000000 
1 1 1   30    0  -16 o   12.853   3.8029   27.596   11.417   27.596   11.417   27.596   11.417   12.853   3.8029   12.853   3.8029 0.000000 0.000000 
1 1 1   30    0  -15 o   14.969   3.1156   34.003   11.045   34.003   11.045   34.003   11.045   14.969   3.1156   14.969   3.1156 0.000000 0.000000 
1 1 1   30    0  -14 o   52.544   1.3706  372.368   19.313  372.368   19.313  372.368   19.313   52.544   1.3706   52.544   1.3706 0.000000 0.000000 
1 1 1   30    0  -13 o   5.0826   3.2878  -0.2191   10.549  -0.2191   10.549  -0.2191   10.549   5.0826   3.2878   5.0826   3.2878 0.000000 0.000000 
1 1 1   30    0  -12 o   55.933   2.0208  423.726   30.268  423.726   30.268  423.726   30.268   55.933   2.0208   55.933   2.0208 0.000000 0.000000 
1 1 1   30    0  -11 o   25.631   1.2574   89.014   8.6089   89.014   8.6089   89.014   8.6089   25.631   1.2574   25.631   1.2574 0.000000 0.000000 
1 1 1   30    0  -10 f   39.852   1.3537  214.446   14.452  214.446   14.452  214.446   14.452   39.852   1.3537   39.852   1.3537 0.000000 0.000000 
1 1 1   30    0   -9 o   16.626   1.7523   38.458   7.6259   38.458   7.6259   38.458   7.6259   16.626   1.7523   16.626   1.7523 0.000000 0.000000 
1 1 1   30    0   -8 o   34.950   1.1190  164.759   10.480  164.759   10.480  164.759   10.480   34.950   1.1190   34.950   1.1190 0.000000 0.000000 
1 1 1   30    0   -7 f   19.474   1.7099   52.244   8.7852   52.244   8.7852   52.244   8.7852   19.474   1.7099   19.474   1.7099 0.000000 0.000000 
1 1 1   30    0   -6 o   64.745   1.0925  564.090   18.986  564.090   18.986  564.090   18.986   64.745   1.0925   64.745   1.0925 0.000000 0.000000 
1 1 1   30    0   -5 f   47.069   1.0729  298.318   13.548  298.318   13.548  298.318   13.548   47.069   1.0729   47.069   1.0729 0.000000 0.000000 
1 1 1   30    0   -4 o   53.288   1.0600  382.202   15.158  382.202   15.158  382.202   15.158   53.288   1.0600   53.288   1.0600 0.000000 0.000000 
1 1 1   30    0   -3 o   12.293   2.6847   23.073   7.7636   23.073   7.7636   23.073   7.7636   12.293   2.6847   12.293   2.6847 0.000000 0.000000 
1 1 1   30    0   -2 o   63.327   1.2151  539.898   20.651  539.898   20.651  539.898   20.651   63.327   1.2151   63.327   1.2151 0.000000 0.000000 
1 1 1   30    0   -1 o   26.300   1.6995   94.295   11.891   94.295   11.891   94.295   11.891   26.300   1.6995   26.300   1.6995 0.000000 0.000000 
1 1 1   30    0    0 o   7.5205   3.4816   11.184   7.7674   11.184   7.7674   11.184   7.7674   7.5205   3.4816   7.5205   3.4816 0.000000 0.000000 
1 1 1   30    0    1 o   3.6940   2.5061  -3.9310   7.4571  -3.9310   7.4571  -3.9310   7.4571   3.6940   2.5061   3.6940   2.5061 0.000000 0.000000 
1 1 1   30    0    2 o   13.931   2.3427   28.287   8.0212   28.287   8.0212   28.287   8.0212   13.931   2.3427   13.931   2.3427 0.000000 0.000000 
1 1 1   30    0    3 o   15.526   2.1470   34.305   8.4649   34.305   8.4649   34.305   8.4649   15.526   2.1470   15.526   2.1470 0.000000 0.000000 
1 1 1   30    0    4 o   19.234   1.8156   51.145   9.1875   51.145   9.1875   51.145   9.1875   19.234   1.8156   19.234   1.8156 0.000000 0.000000 
1 1 1   30    0    5 f   14.180   2.4212   29.380   8.4141   29.380   8.4141   29.380   8.4141   14.180   2.4212   14.180   2.4212 0.000000 0.000000 
1 1 1   30    0    6 o   56.974   1.0892  436.907   16.654  436.907   16.654  436.907   16.654   56.974   1.0892   56.974   1.0892 0.000000 0.000000 
1 1 1   30    0    7 f   36.000   1.1895  174.857   11.473  174.857   11.473  174.857   11.473   36.000   1.1895   36.000   1.1895 0.000000 0.000000 
1 1 1   30    0    8 o   12.323   2.8773   23.564   8.2789   23.564   8.2789   23.564   8.2789   12.323   2.8773   12.323   2.8773 0.000000 0.000000 
1 1 1   30    0    9 o   70.801   1.1482  674.657   21.822  674.657   21.822  674.657   21.822   70.801   1.1482   70.801   1.1482 0.000000 0.000000 
1 1 1   30    0   10 f   65.492   1.1354  577.334   19.959  577.334   19.959  577.334   19.959   65.492   1.1354   65.492   1.1354 0.000000 0.000000 
1 1 1   30    0   11 o   4.9795   3.1651   1.0764   9.2493   1.0764   9.2493   1.0764   9.2493   4.9795   3.1651   4.9795   3.1651 0.000000 0.000000 
1 1 1   30    0   12 o   7.0069   3.5981   9.7924   8.6188   9.7924   8.6188   9.7924   8.6188   7.0069   3.5981   7.0069   3.5981 0.000000 0.000000 
1 1 1   30    0   13 o   25.971   1.4622   91.668   10.126   91.668   10.126   91.668   10.126   25.971   1.4622   25.971   1.4622 0.000000 0.000000 
1 1 1   30    0   14 o   11.229   3.2915   20.927   8.6236   20.927   8.6236   20.927   8.6236   11.229   3.2915   11.229   3.2915 0.000000 0.000000 
1 1 1   30    0   15 o   28.960   1.4618  113.789   11.304  113.789   11.304  113.789   11.304   28.960   1.4618   28.960   1.4618 0.000000 0.000000 
1 1 1   30    0   16 o   6.9807   3.5896   9.7349   8.5851   9.7349   8.5851   9.7349   8.5851   6.9807   3.5896   6.9807   3.5896 0.000000 0.000000 
1 1 1   30    0   17 o   29.361   1.3717  116.810   10.763  116.810   10.763  116.810   10.763   29.361   1.3717   29.361   1.3717 0.000000 0.000000 
1 1 1   30    0   18 o   14.897   2.5324   32.486   9.2537   32.486   9.2537   32.486   9.2537   14.897   2.5324   14.897   2.5324 0.000000 0.000000 
1 1 1   30    0   19 o   5.6038   3.3371   4.6699   8.8176   4.6699   8.8176   4.6699   8.8176   5.6038   3.3371   5.6038   3.3371 0.000000 0.000000 
1 1 1   30    0   20 o   36.640   1.2784  181.381   12.546  181.381   12.546  181.381   12.546   36.640   1.2784   36.640   1.2784 0.000000 0.000000 
1 1 1   30    0   21 o   49.985   1.1663  336.793   15.638  336.793   15.638  336.793   15.638   49.985   1.1663   49.985   1.1663 0.000000 0.000000 
1 1 1   30    0   22 o   21.502   2.0447   64.162   11.564   64.162   11.564   64.162   11.564   21.502   2.0447   21.502   2.0447 0.000000 0.000000 
1 1 1   30    0   23 o   25.878   1.5713   91.296   10.829   91.296   10.829   91.296   10.829   25.878   1.5713   25.878   1.5713 0.000000 0.000000 
1 1 1   30    0   24 o   48.329   1.1804  315.020   15.302  315.020   15.302  315.020   15.302   48.329   1.1804   48.329   1.1804 0.000000 0.000000 
1 1 1   30    0   25 o   24.576   1.6765   82.671   10.948   82.671   10.948   82.671   10.948   24.576   1.6765   24.576   1.6765 0.000000 0.000000 
1 1 1   30    0   26 o   6.6849   3.6864   8.6122   9.6209   8.6122   9.6209   8.6122   9.6209   6.6849   3.6864   6.6849   3.6864 0.000000 0.000000 
1 1 1   30    0   27 o   7.2034   3.7452   10.495   9.4164   10.495   9.4164   10.495   9.4164   7.2034   3.7452   7.2034   3.7452 0.000000 0.000000 
1 1 1   30    0   28 o   3.7775   2.6323  -8.7612   9.6229  -8.7612   9.6229  -8.7612   9.6229   3.7775   2.6323   3.7775   2.6323 0.000000 0.000000 
1 1 1   30    0   29 o   6.4019   3.7512   6.9122   10.827   6.9122   10.827   6.9122   10.827   6.4019   3.7512   6.4019   3.7512 0.000000 0.000000 
1 1 1   30    0   30 o   48.215   1.2334  314.009   15.948  314.009   15.948  314.009   15.948   48.215   1.2334   48.215   1.2334 0.000000 0.000000 
1 1 1   30    0   31 o   3.8676   2.6765  -7.4631   9.5103  -7.4631   9.5103  -7.4631   9.5103   3.8676   2.6765   3.8676   2.6765 0.000000 0.000000 
1 1 1   30    0   32 o   7.6852   3.8490   12.132   9.7215   12.132   9.7215   12.132   9.7215   7.6852   3.8490   7.6852   3.8490 0.000000 0.000000 
1 1 1   30    0   33 o   13.747   3.1914   29.663   10.250   29.663   10.250   29.663   10.250   13.747   3.1914   13.747   3.1914 0.000000 0.000000 
1 1 1   30    0   34 o   4.2832   2.9426  -7.2243   11.002  -7.2243   11.002  -7.2243   11.002   4.2832   2.9426   4.2832   2.9426 0.000000 0.000000 
1 1 1   30    0   35 o   47.357   1.4230  303.840   18.064  303.840   18.064  303.840   18.064   47.357   1.4230   47.357   1.4230 0.000000 0.000000 
1 1 1   30    0   36 o   5.0251   3.2562   0.0531   10.408   0.0531   10.408   0.0531   10.408   5.0251   3.2562   5.0251   3.2562 0.000000 0.000000 
1 1 1   30    0   37 o   29.666   1.6334  120.382   12.925  120.382   12.925  120.382   12.925   29.666   1.6334   29.666   1.6334 0.000000 0.000000 
1 1 1   30    0   38 o   16.632   2.8143   41.193   11.492   41.193   11.492   41.193   11.492   16.632   2.8143   16.632   2.8143 0.000000 0.000000 
1 1 1   30    0   39 o   17.367   3.0581   45.535   12.944   45.535   12.944   45.535   12.944   17.367   3.0581   17.367   3.0581 0.000000 0.000000 
1 1 1   30    0   40 o   7.5596   4.3981   11.334   14.714   11.334   14.714   11.334   14.714   7.5596   4.3981   7.5596   4.3981 0.000000 0.000000 
1 1 1   30    0   41 o   29.201   1.9735  118.757   15.316  118.757   15.316  118.757   15.316   29.201   1.9735   29.201   1.9735 0.000000 0.000000 
1 1 1   30    0   42 o   10.097   4.4563   21.802   12.697   21.802   12.697   21.802   12.697   10.097   4.4563   10.097   4.4563 0.000000 0.000000 
1 1 1   30    0   43 o   24.207   2.3026   84.026   14.660   84.026   14.660   84.026   14.660   24.207   2.3026   24.207   2.3026 0.000000 0.000000 
1 1 1   30    0   44 o   21.464   2.9703   69.808   16.189   69.808   16.189   69.808   16.189   21.464   2.9703   21.464   2.9703 0.000000 0.000000 
1 1 1   30    1  -37 o   13.630   3.3276   28.013   12.076   34.870   17.201   21.349   16.957   14.904   4.1460   12.092   4.2322 2.811572 5.924595 
1 1 1   30    1  -36 o   7.4915   3.2354   0.2372   11.898   5.8963   16.876  -5.3556   16.777   9.5295   3.9717   8.1005   3.6512 1.429011 5.394944 
1 1 1   30    1  -35 o   11.399   2.9403   19.086   9.0613   31.338   12.875   7.0603   12.755   14.497   3.3703   8.8810   3.5453 5.616479 4.891627 
1 1 1   30    1  -34 o   24.173   1.5529   79.925   10.029   79.131   13.960   80.772   14.418   23.835   2.2055   24.063   2.2573 -0.2274151 3.155910 
1 1 1   30    1  -33 o   54.004   1.0649  394.220   15.446  389.513   21.956  398.832   21.734   53.496   1.5280   54.148   1.4944 -0.6518135 2.137319 
1 1 1   30    1  -32 o   44.129   1.1129  263.348   13.190  230.200   18.231  299.762   19.108   41.087   1.6520   46.942   1.5155 -5.855053 2.241836 
1 1 1   30    1  -31 o   24.499   1.4751   81.872   9.6616   74.649   13.481   89.500   13.854   23.172   2.1920   25.443   2.0445 -2.271214 2.997509 
1 1 1   30    1  -30 o   38.390   1.2465  199.632   12.854  228.927   20.343  180.164   16.583   40.900   1.8518   36.337   1.6991 4.562939 2.513186 
1 1 1   30    1  -29 o   20.629   2.4171   59.690   13.139   75.478   19.325   46.119   17.917   22.877   3.2354   17.519   3.9071 5.357628 5.072778 
1 1 1   30    1  -28 o   27.620   1.3402  103.429   9.9418  105.997   13.953  100.781   14.169   27.773   1.8816   27.050   1.9635 0.7223492 2.719568 
1 1 1   30    1  -27 o   12.624   2.5437   22.845   8.3268   22.852   11.519   22.838   12.051   12.467   3.3627   12.459   3.4718 0.8632660E-02 4.833270 
1 1 1   30    1  -26 o   14.578   3.1590   30.996   12.012   28.423   16.781   33.698   17.202   13.822   4.1712   14.960   4.1405 -1.137933 5.877318 
1 1 1   30    1  -25 o   44.367   1.2162  266.221   14.493  239.548   23.799  281.944   18.272   41.734   2.1303   45.578   1.4926 -3.844173 2.601176 
1 1 1   30    1  -24 o   5.3508   2.4343  -4.4109   7.6688 -13.2334   10.809   4.5311   10.882   5.5399   2.6382   8.0392   3.2515 -2.499366 4.187148 
1 1 1   30    1  -23 o   12.965   2.3703   23.794   7.9501   23.261   11.384   24.302   11.107   12.635   3.3136   12.922   3.2138 -0.2867956 4.616070 
1 1 1   30    1  -22 o   26.507   1.2759   94.989   9.0834   95.464   12.779   94.504   12.913   26.424   1.8115   26.283   1.8409 0.1412163 2.582720 
1 1 1   30    1  -21 o   19.600   1.6160   52.466   8.4314   50.240   11.893   54.715   11.955   18.991   2.3841   19.859   2.2827 -0.8677597 3.300711 
1 1 1   30    1  -20 o   6.8372   2.7250   3.4900   7.5245   0.1994   10.570   6.8716   10.715   7.1950   3.0774   8.5018   3.2922 -1.306818 4.506558 
1 1 1   30    1  -19 o   19.481   1.5760   51.757   8.1755   58.609   11.871   45.574   11.276   20.603   2.1781   18.090   2.3784 2.513603 3.225063 
1 1 1   30    1  -18 o   19.800   1.5885   53.455   8.3767   56.542   11.899   50.422   11.794   20.226   2.2273   19.054   2.3547 1.171463 3.241207 
1 1 1   30    1  -17 o   49.593   0.9978  331.430   13.291  312.107   18.456  352.250   19.157   48.038   1.4304   51.043   1.3974 -3.004105 1.999678 
1 1 1   30    1  -16 o   37.927   1.3465  194.361   13.717  196.566   21.776  192.910   17.661   37.906   2.1477   37.708   1.7438 0.1985855 2.766469 
1 1 1   30    1  -15 o   39.169   1.8396  208.339   19.354  227.476   22.160  146.800   39.738   40.882   2.0181   31.586   4.8382 9.296484 5.242183 
1 1 1   30    1  -14 o   32.555   1.2014  142.999   10.505  144.405   13.900  141.125   16.043   32.659   1.5846   32.184   1.8639 0.4746284 2.446429 
1 1 1   30    1  -13 o   30.909   1.2292  128.918   10.205  126.941   16.314  130.189   13.080   30.487   2.0034   30.974   1.5775 -0.4865875 2.549907 
1 1 1   30    1  -12 o   33.662   1.2305  152.894   11.125  141.305   16.320  162.954   15.205   32.203   1.8952   34.690   1.6319 -2.486412 2.500997 
1 1 1   30    1  -11 o   44.645   0.7473  268.139   8.9610  269.664   12.301  266.416   13.080   44.739   1.0237   44.458   1.0954 0.2806320 1.499293 
1 1 1   30    1  -10 o   45.992   0.8182  284.643   10.107  281.812   14.542  287.289   14.058   45.712   1.1844   46.162   1.1338 -0.4501648 1.639588 
1 1 1   30    1   -9 o   34.361   0.8750  158.923   8.0751  169.221   10.458  143.718   12.708   35.434   1.0989   32.612   1.4508 2.822330 1.819947 
1 1 1   30    1   -8 o   15.638   1.4040   33.293   5.8345   47.465   8.7917   22.139   7.7997   18.632   1.7784   12.533   2.4045 6.098922 2.990706 
1 1 1   30    1   -7 o   25.387   1.0901   86.847   7.4332   88.301   11.425   85.780   9.7881   25.485   1.6785   25.156   1.4549 0.3294849 2.221234 
1 1 1   30    1   -6 o   59.349   0.7865  473.865   12.537  471.510   18.248  475.971   17.255   59.143   1.1487   59.435   1.0809 -0.2918205 1.577303 
1 1 1   30    1   -5 o   53.285   0.7581  381.910   10.850  380.302   15.301  383.537   15.389   53.130   1.0723   53.355   1.0738 -0.2252808 1.517514 
1 1 1   30    1   -4 o   8.2506   2.3295   9.5270   5.3888   6.0305   7.5713   13.117   7.6714   7.5256   2.8010   9.6711   2.7955 -2.145443 3.957314 
1 1 1   30    1   -3 o   34.105   0.8082  156.484   7.4037  153.961   10.356  159.121   10.589   33.799   1.1407   34.360   1.1474 -0.5610161 1.617976 
1 1 1   30    1   -2 o   28.580   0.9025  109.942   6.9281  109.930   9.9351  109.953   9.6659   28.545   1.2958   28.552   1.2604 -0.6559372E-02 1.807719 
1 1 1   30    1   -1 o   9.1646   2.5522   11.816   6.5146   12.508   9.3075   11.151   9.1214   9.6569   3.1359   9.2549   3.1082 0.4019823 4.415318 
1 1 1   30    1    0 o   33.469   1.0511  150.883   9.4483  163.377   13.439  138.669   13.287   34.782   1.4385   32.030   1.5444 2.751472 2.110580 
1 1 1   30    1    1 o   20.004   1.1687   54.121   6.2521   52.344   8.8951   55.856   8.7894   19.592   1.7074   20.257   1.6292 -0.6645870 2.359986 
1 1 1   30    1    2 o   9.3990   2.2713   12.505   5.6700   20.460   8.0731   4.7623   7.9651   12.013   2.5792   7.3144   2.8368 4.698517 3.834002 
1 1 1   30    1    3 o   28.753   0.9890  111.327   7.6380  114.904   10.870  107.838   10.735   29.174   1.3872   28.224   1.4206 0.9498482 1.985573 
1 1 1   30    1    4 o   48.208   0.7756  312.626   10.043  308.716   14.156  316.587   14.251   47.865   1.1011   48.473   1.0946 -0.6073112 1.552599 
1 1 1   30    1    5 o   37.388   0.8162  188.072   8.1960  182.908   11.544  193.320   11.638   36.835   1.1668   37.872   1.1441 -1.036610 1.634180 
1 1 1   30    1    6 o   55.583   0.7815  415.618   11.667  418.040   16.507  413.200   16.494   55.697   1.1034   55.373   1.1090 0.3243370 1.564415 
1 1 1   30    1    7 o   24.587   1.0341   81.431   6.8291   83.961   9.8404   79.081   9.4849   24.883   1.4791   24.148   1.4694 0.7348385 2.084862 
1 1 1   30    1    8 o   32.393   0.8875  141.237   7.7216  152.879   10.967  129.791   10.874   33.668   1.2127   31.011   1.3055 2.656719 1.781867 
1 1 1   30    1    9 o   35.853   0.8605  173.008   8.2865  175.701   11.700  170.296   11.738   36.093   1.2069   35.530   1.2300 0.5624390 1.723216 
1 1 1   30    1   10 o   15.337   1.7344   32.271   7.0190   20.982   10.035   43.085   9.8215   12.099   3.0800   17.673   2.1109 -5.573960 3.733915 
1 1 1   30    1   11 o   61.180   0.7979  503.648   13.112  515.865   18.761  491.982   18.333   61.857   1.1292   60.408   1.1299 1.449017 1.597463 
1 1 1   30    1   12 o   36.912   0.8530  183.391   8.4572  183.206   11.964  183.576   11.957   36.851   1.2087   36.888   1.2068 -0.3744125E-01 1.708022 
1 1 1   30    1   13 o   27.749   1.0031  103.743   7.4767  102.470   10.531  105.037   10.616   27.497   1.4309   27.841   1.4245 -0.3443928 2.019065 
1 1 1   30    1   14 o   7.9397   2.5140   8.5257   6.0101   7.9587   8.3667   9.1302   8.6391   8.2241   2.9634   8.5967   3.0202 -0.3726234 4.231253 
1 1 1   30    1   15 o   21.957   1.2436   65.280   7.3036   74.980   10.373   55.744   10.285   23.466   1.6564   20.163   1.9225 3.303123 2.537705 
1 1 1   30    1   16 o   70.719   0.8367  673.228   15.892  665.996   22.363  680.607   22.589   70.255   1.1851   71.022   1.1842 -0.7667389 1.675333 
1 1 1   30    1   17 o   12.997   1.9071   23.439   6.4594   30.275   9.1871   16.757   9.0837   14.687   2.4128   10.836   3.0122 3.850259 3.859390 
1 1 1   30    1   18 o   19.108   1.3652   49.604   6.9604   45.946   9.9675   53.085   9.7241   18.247   2.0705   19.676   1.8621 -1.429729 2.784687 
1 1 1   30    1   19 o   16.193   1.5895   35.871   6.8239   26.707   9.5102   45.596   9.7970   13.702   2.6802   18.179   2.0418 -4.477130 3.369349 
1 1 1   30    1   20 o   33.174   0.9552  148.311   8.5112  158.021   12.171  139.017   11.907   34.189   1.3254   32.058   1.3829 2.131023 1.915453 
1 1 1   30    1   21 o   8.1214   2.8160   8.3294   7.4985  -1.5524   10.557   18.391   10.653   6.9027   3.0137   11.332   3.2995 -4.429327 4.468737 
1 1 1   30    1   22 o   40.550   0.8905  221.540   9.6988  225.224   13.732  217.874   13.701   40.821   1.2524   40.145   1.2706 0.6753502 1.784112 
1 1 1   30    1   23 o   21.990   1.2595   65.596   7.4085   71.778   10.513   59.499   10.441   22.911   1.7210   20.808   1.8889 2.103258 2.555364 
1 1 1   30    1   24 o   13.948   1.9313   27.045   7.0413   27.644   9.8574   26.421   10.061   13.891   2.7394   13.542   2.8560 0.3483915 3.957456 
1 1 1   30    1   25 o   18.218   1.5370   45.382   7.4505   44.650   10.711   46.070   10.371   17.879   2.2825   18.200   2.1639 -0.3206520 3.145215 
1 1 1   30    1   26 o   36.360   0.9427  178.329   9.2063  183.712   12.998  172.912   13.041   36.828   1.3141   35.718   1.3593 1.109592 1.890682 
1 1 1   30    1   27 o   30.708   1.0733  127.397   8.8529  127.493   13.357  127.322   11.823   30.559   1.6332   30.627   1.4372 -0.6809998E-01 2.175529 
1 1 1   30    1   28 o   7.4088   2.7784   5.9612   7.4768   18.040   10.025  -9.1809   11.224   11.139   3.1887   6.0886   2.8324 5.050192 4.264997 
1 1 1   30    1   29 o   12.010   2.3391   20.579   7.2742   18.695   10.663   22.219   9.9485   11.328   3.3020   12.324   3.0274 -0.9961443 4.479723 
1 1 1   30    1   30 o   8.8363   2.7312   10.958   7.1386   13.466   10.241   8.5875   9.9561   9.8937   3.2932   8.6351   3.2124 1.258610 4.600475 
1 1 1   30    1   31 o   31.217   1.2575  132.026   10.544  121.485   15.817  140.456   14.145   29.685   1.9953   32.057   1.6484 -2.371393 2.588201 
1 1 1   30    1   32 o   13.954   2.0436   27.286   7.4324   29.915   10.395   24.537   10.631   14.394   2.7895   12.928   3.1014 1.466319 4.171370 
1 1 1   30    1   33 o   15.771   1.8127   34.456   7.5393   37.345   10.738   31.648   10.588   16.200   2.5523   14.817   2.7619 1.382616 3.760687 
1 1 1   30    1   34 o   10.488   2.8047   16.008   8.0543   16.167   11.288   15.843   11.496   10.661   3.4528   10.597   3.4873 0.6358719E-01 4.907408 
1 1 1   30    1   35 o   7.3034   2.7836   5.5702   7.5768  -7.0706   10.054   22.184   11.527   5.8913   2.7197   12.211   3.3928 -6.319768 4.348292 
1 1 1   30    1   36 o   21.310   1.5667   62.332   8.9045   49.163   11.229   84.642   14.615   18.676   2.2864   24.593   2.2371 -5.917526 3.198727 
1 1 1   30    1   37 o   36.184   1.0795  177.388   10.491  191.737   14.170  159.980   15.608   37.504   1.4067   34.141   1.7020 3.363472 2.208096 
1 1 1   30    1   38 o   22.016   1.6585   66.966   9.7353   57.031   13.272   78.538   14.324   19.936   2.5359   23.565   2.2921 -3.629248 3.418294 
1 1 1   30    1   39 o   9.1033   3.0647   11.754   8.8682   7.9989   12.311   15.803   12.786   8.7913   3.4913   10.468   3.6744 -1.676498 5.068550 
1 1 1   30    1   40 o   18.028   2.3611   46.886   11.158   63.340   16.217   32.094   15.377   20.577   3.0245   14.076   3.9214 6.500731 4.952221 
1 1 1   30    1   41 o   21.505   2.0510   65.739   11.703   48.940   16.509   82.705   16.592   17.538   3.6247   23.727   2.6488 -6.189028 4.489364 
1 1 1   30    1   42 o   13.022   2.8202   25.954   9.5787   27.615   13.395   24.216   13.703   12.964   3.6772   12.125   3.7900 0.8397589 5.280695 
1 1 1   30    1   43 o   31.859   1.3308  139.927   11.388  122.135   15.632  160.049   16.624   29.236   2.0028   33.630   1.8475 -4.394587 2.724775 
1 1 1   30    1   44 o   22.146   1.7172   69.447   10.135   70.328   14.212   68.535   14.456   21.699   2.4832   21.340   2.5740 0.3583260 3.576593 
1 1 1   30    2  -36 o   20.639   2.4598   60.638   13.367   49.530   18.870   71.827   18.939   17.811   4.0375   22.020   3.3040 -4.209099 5.217129 
1 1 1   30    2  -35 o   18.060   2.7593   47.052   12.960   45.701   18.503   48.354   18.157   17.158   4.0755   17.745   3.9146 -0.5872574 5.651013 
1 1 1   30    2  -34 o   32.892   1.2575  146.819   11.109  150.827   15.928  143.021   15.503   33.114   1.7975   32.243   1.7973 0.8705864 2.541930 
1 1 1   30    2  -33 o   21.213   1.7058   61.903   9.6367   42.887   13.138   84.047   14.178   17.205   2.9492   24.571   2.1706 -7.365477 3.661889 
1 1 1   30    2  -32 o   44.748   1.0931  270.834   13.138  256.424   18.189  286.554   18.998   43.382   1.5610   45.868   1.5421 -2.485813 2.194248 
1 1 1   30    2  -31 o   38.397   1.1478  199.512   11.838  222.054   17.306  179.694   16.228   40.365   1.5963   36.288   1.6650 4.076946 2.306570 
1 1 1   30    2  -30 o   30.410   1.2917  125.390   10.551  131.710   15.075  119.322   14.772   30.972   1.8201   29.454   1.8770 1.517933 2.614557 
1 1 1   30    2  -29 o   23.781   1.5166   77.249   9.6366   73.596   13.616   80.917   13.641   22.984   2.2338   24.150   2.1246 -1.165609 3.082809 
1 1 1   30    2  -28 o   25.064   2.0815   86.978   13.886   83.837   19.416   90.266   19.866   24.195   3.0560   25.143   3.0010 -0.9486294 4.283106 
1 1 1   30    2  -27 o   21.658   1.5986   64.218   9.2334   57.052   12.699   72.254   13.449   20.167   2.3910   22.785   2.2261 -2.618042 3.266890 
1 1 1   30    2  -26 o   22.019   1.5382   66.255   9.0399   69.212   12.826   63.336   12.744   22.323   2.1664   21.314   2.2605 1.008722 3.131034 
1 1 1   30    2  -25 f   23.872   1.6931   78.052   10.785   76.083   13.340   81.768   18.326   23.431   2.1435   24.001   2.9018 -0.5700951 3.607593 
1 1 1   30    2  -24 o   10.908   3.4206   16.942   11.152   29.529   16.353   6.0000   15.247   14.054   4.0869   9.3348   3.8212 4.719673 5.594999 
1 1 1   30    2  -23 o   11.889   2.6476   20.345   8.2372   14.011   11.812   26.340   11.493   10.260   3.5357   13.418   3.2283 -3.157072 4.787749 
1 1 1   30    2  -22 o   28.901   1.2744  113.008   9.8924  124.969   14.296  102.019   13.703   30.239   1.7679   27.279   1.8817 2.959909 2.581873 
1 1 1   30    2  -21 o   19.432   1.6284   51.648   8.4210   55.821   12.088   47.712   11.738   20.038   2.2868   18.466   2.4253 1.571749 3.333385 
1 1 1   30    2  -20 o   17.861   1.7913   43.835   8.4777   36.763   11.960   50.977   12.018   16.047   2.8808   19.116   2.3932 -3.069052 3.745176 
1 1 1   30    2  -19 o   26.188   1.3014   92.731   9.1538   91.145   12.897   94.340   12.995   25.804   1.8736   26.259   1.8543 -0.4556675 2.636101 
1 1 1   30    2  -18 o   10.177   3.1617   14.468   9.5525   6.4630   13.062   23.672   14.006   8.9818   3.5869   12.794   3.7995 -3.811990 5.225188 
1 1 1   30    2  -17 o   30.733   1.1784  127.513   9.7271  133.295   14.093  122.253   13.442   31.293   1.6829   29.967   1.6768 1.326403 2.375702 
1 1 1   30    2  -16 o   47.743   1.0200  307.286   13.079  306.527   18.802  307.997   18.206   47.586   1.4711   47.712   1.4207 -0.1266937 2.045071 
1 1 1   30    2  -15 o   8.5712   3.1052   8.6407   9.2040  -6.9983   15.141   17.806   11.591   7.6462   3.4554   11.252   3.4807 -3.605450 4.904633 
1 1 1   30    2  -14 o   75.714   1.1265  773.298   22.909  770.307   35.265  775.482   30.132   75.334   1.7429   75.698   1.4820 -0.3635406 2.287779 
1 1 1   30    2  -13 o   19.861   1.8567   54.053   9.7895   60.678   11.997   40.851   16.935   20.983   2.1596   16.709   3.8523 4.273125 4.416320 
1 1 1   30    2  -12 o   50.929   1.1563  349.906   15.817  354.277   19.438  341.339   27.211   51.189   1.4138   50.069   2.0234 1.119820 2.468423 
1 1 1   30    2  -11 f   8.5963   1.8872   10.426   4.2379   19.061   6.2355   3.0146   5.7772   11.664   2.0659   6.1114   2.4028 5.552766 3.168862 
1 1 1   30    2  -10 o   4.0044   1.8573  -4.0903   4.7705 -11.6464   8.1289  -0.1209   5.8918   4.6592   2.2373   5.3708   2.2974 -0.7115669 3.206822 
1 1 1   30    2   -9 o   16.740   1.2120   38.007   5.4127   42.990   7.6888   33.112   7.6210   17.742   1.6318   15.507   1.8673 2.235406 2.479846 
1 1 1   30    2   -8 o   18.534   1.2647   46.581   6.2580   47.430   8.0313   45.268   9.9846   18.646   1.6197   18.118   2.0901 0.5279312 2.644250 
1 1 1   30    2   -7 o   28.096   1.0742  106.401   8.1066   98.683   10.723  116.696   12.384   26.973   1.4858   29.321   1.5784 -2.347666 2.167727 
1 1 1   30    2   -6 o   48.762   0.7805  319.933   10.222  322.542   14.116  317.056   14.823   48.919   1.0744   48.490   1.1381 0.4284706 1.565098 
1 1 1   30    2   -5 o   12.321   1.7926   21.008   5.7582   23.360   8.3644   18.888   7.9388   12.852   2.5131   11.515   2.6252 1.337155 3.634159 
1 1 1   30    2   -4 o   28.766   0.9560  111.440   7.3862  118.129   11.241  106.358   9.7987   29.567   1.4154   28.069   1.2997 1.498194 1.921652 
1 1 1   30    2   -3 o   16.939   1.3906   39.018   6.2710   29.595   9.4158   46.529   8.4069   14.510   2.5066   18.453   1.7158 -3.942760 3.037597 
1 1 1   30    2   -2 o   48.615   0.8878  318.164   11.593  301.747   17.065  332.232   15.797   47.271   1.3441   49.632   1.1850 -2.360767 1.791849 
1 1 1   30    2   -1 o   61.887   0.8115  515.383   13.489  514.803   19.864  515.881   18.376   61.779   1.1971   61.864   1.1059 -0.8433151E-01 1.629776 
1 1 1   30    2    0 o   31.234   0.8892  131.329   7.4595  138.167   10.696  124.854   10.408   32.000   1.2445   30.416   1.2740 1.584152 1.780985 
1 1 1   30    2    1 o   24.976   1.0110   84.032   6.7820   82.474   9.6236   85.569   9.5592   24.659   1.4595   25.125   1.4223 -0.4662304 2.037934 
1 1 1   30    2    2 o   36.675   1.0146  181.201   9.9946  178.169   14.178  184.195   14.092   36.307   1.4539   36.921   1.4210 -0.6141052 2.032974 
1 1 1   30    2    3 o   10.816   2.2148   16.509   6.2176   24.050   8.8151   9.0434   8.7710   13.026   2.6104   8.6065   3.0413 4.419752 4.007945 
1 1 1   30    2    4 o   34.530   0.8548  160.489   7.9278  163.654   11.251  157.369   11.172   34.831   1.2027   34.154   1.2179 0.6773415 1.711642 
1 1 1   30    2    5 o   31.610   0.8928  134.523   7.5802  143.601   10.886  125.977   10.562   32.622   1.2424   30.549   1.2872 2.072641 1.788957 
1 1 1   30    2    6 o   43.914   0.8040  259.512   9.4827  253.678   13.263  265.613   13.564   43.374   1.1384   44.382   1.1378 -1.008671 1.609548 
1 1 1   30    2    7 o   29.811   0.9299  119.678   7.4461  122.307   10.684  117.195   10.383   30.095   1.3218   29.460   1.3122 0.6345024 1.862492 
1 1 1   30    2    8 o   19.541   1.2385   51.737   6.4668   58.305   9.1089   45.063   9.1823   20.681   1.6537   18.114   1.9164 2.567244 2.531251 
1 1 1   30    2    9 o   53.612   0.8291  386.863   11.939  404.252   17.968  373.116   15.976   54.732   1.2223   52.600   1.1308 2.131634 1.665155 
1 1 1   30    2   10 o   25.109   1.1305   85.026   7.6245   84.429   10.169   85.794   11.523   24.932   1.5259   25.096   1.7198 -0.1637363 2.299155 
1 1 1   30    2   11 f   8.7895   2.4859   10.872   6.1310   11.542   8.8681   10.259   8.4856   9.2998   3.0630   8.8784   2.9979 0.4214287 4.285922 
1 1 1   30    2   12 o   28.013   0.9835  105.730   7.4002  108.486   10.477  102.987   10.454   28.331   1.3768   27.563   1.4169 0.7680588 1.975665 
1 1 1   30    2   13 o   22.897   1.1568   70.911   7.0913   70.505   9.8964   71.340   10.166   22.752   1.6303   22.880   1.6658 -0.1280708 2.330773 
1 1 1   30    2   14 o   41.067   0.9048  227.146   9.9803  241.931   14.183  212.643   14.047   42.328   1.2475   39.671   1.3183 2.657349 1.814977 
1 1 1   30    2   15 o   42.168   0.8526  239.422   9.6565  239.248   13.622  239.597   13.691   42.098   1.2047   42.128   1.2100 -0.2975464E-01 1.707441 
1 1 1   30    2   16 o   14.103   1.8030   27.454   6.6733   21.001   9.2948   34.320   9.5871   12.085   2.9004   15.665   2.3512 -3.579154 3.733668 
1 1 1   30    2   17 o   8.3001   2.5905   9.4469   6.4044   7.5697   9.0200   11.355   9.0950   8.2541   3.0602   9.2613   3.1037 -1.007189 4.358676 
1 1 1   30    2   18 o   34.013   0.9453  155.911   8.6358  143.558   12.117  168.661   12.311   32.573   1.3850   35.322   1.2976 -2.749405 1.897901 
1 1 1   30    2   19 o   43.106   0.8651  250.290   10.016  240.462   14.089  260.336   14.244   42.183   1.2435   43.899   1.2080 -1.716290 1.733652 
1 1 1   30    2   20 o   50.324   0.8417  341.122   11.377  343.913   16.130  338.360   16.049   50.455   1.1902   50.045   1.1939 0.4099159 1.685863 
1 1 1   30    2   21 o   29.589   1.0990  118.200   8.7340  116.299   11.712  120.581   13.109   29.247   1.4959   29.744   1.6473 -0.4965725 2.225210 
1 1 1   30    2   22 o   12.917   2.0381   23.355   6.8362   15.987   9.7127   30.588   9.6235   10.585   3.1687   14.687   2.5310 -4.101978 4.055451 
1 1 1   30    2   23 o   19.322   1.4192   50.887   7.3134   61.520   10.427   40.590   10.261   21.151   1.8540   17.026   2.3028 4.124928 2.956410 
1 1 1   30    2   24 o   8.4932   2.7966   9.7344   7.3928  -3.0216   11.162   19.704   9.8676   6.8505   3.0404   11.628   3.1021 -4.777481 4.343631 
1 1 1   30    2   25 f   22.114   1.4490   66.671   8.5590   80.607   13.842   58.044   10.891   24.117   2.1597   20.483   2.0052 3.633778 2.947105 
1 1 1   30    2   26 o   38.876   0.9674  204.001   10.101  194.581   14.829  212.156   13.797   37.847   1.4588   39.566   1.2982 -1.719170 1.952834 
1 1 1   30    2   27 o   30.217   1.0686  123.399   8.6729  125.968   12.657  121.126   11.908   30.385   1.5561   29.850   1.4852 0.5347500 2.151150 
1 1 1   30    2   28 o   8.2300   2.8477   8.7752   7.6663   8.7593   10.327   8.7947   11.442   8.7463   3.2681   8.9825   3.4215 -0.2362881 4.731451 
1 1 1   30    2   29 o   23.812   1.2832   77.081   8.1768   82.843   11.742   71.655   11.394   24.550   1.7931   22.797   1.8774 1.752584 2.596165 
1 1 1   30    2   30 o   16.276   2.1653   37.118   9.2305   27.660   13.891   44.598   12.352   13.588   3.7043   17.685   2.6848 -4.096915 4.574982 
1 1 1   30    2   31 o   29.837   1.0817  120.369   8.6688  116.553   12.069  124.435   12.459   29.219   1.5434   30.194   1.5414 -0.9749470 2.181284 
1 1 1   30    2   32 o   18.727   1.5848   48.127   7.8965   55.410   10.926   40.164   11.425   19.960   2.0681   16.778   2.6211 3.182760 3.338725 
1 1 1   30    2   33 o   21.517   1.5786   63.464   9.0596   54.209   11.813   76.681   14.117   19.656   2.2799   23.422   2.2727 -3.765230 3.219138 
1 1 1   30    2   34 o   27.374   1.2027  101.598   8.8426  100.153   12.406  103.090   12.607   26.994   1.7200   27.387   1.7227 -0.3933640 2.434357 
1 1 1   30    2   35 o   34.774   1.0669  163.718   9.9645  171.756   13.487  154.057   14.787   35.509   1.4141   33.548   1.6410 1.961311 2.166248 
1 1 1   30    2   36 o   28.476   1.2020  110.140   9.1932  107.759   12.197  113.271   13.988   27.991   1.6294   28.614   1.8297 -0.6226482 2.450039 
1 1 1   30    2   37 o   23.265   1.6509   74.778   10.249   59.493   13.400   96.329   15.911   20.367   2.5021   26.098   2.2931 -5.731213 3.393964 
1 1 1   30    2   38 o   13.539   2.8197   27.348   9.9204   29.105   13.007   24.904   15.338   13.658   3.5227   12.548   4.0208 1.110001 5.345644 
1 1 1   30    2   39 o   18.440   1.9636   48.066   9.5755   31.661   13.299   65.726   13.798   14.167   3.5124   21.313   2.4553 -7.145494 4.285513 
1 1 1   30    2   40 o   10.859   3.1133   18.282   9.5503   15.157   12.917   22.050   14.184   10.154   3.6786   11.707   3.8746 -1.553390 5.342708 
1 1 1   30    2   41 o   26.035   1.6441   94.737   11.438  105.609   18.160   87.589   14.726   26.779   2.5559   24.614   2.2524 2.164324 3.406772 
1 1 1   30    2   42 o   16.781   2.4491   41.881   10.714   45.569   16.515   39.202   14.078   16.452   3.8121   15.505   3.4675 0.9470940 5.153210 
1 1 1   30    2   43 o   22.163   1.6918   69.507   9.9946   61.156   14.145   77.833   14.124   20.026   2.6985   22.962   2.3220 -2.935619 3.560005 
1 1 1   30    3  -35 o   16.643   2.9439   40.782   12.679   51.098   17.565   29.561   18.319   18.249   3.7100   13.678   4.3953 4.571225 5.751744 
1 1 1   30    3  -34 o   19.595   2.7197   55.269   13.928   64.402   19.596   45.943   19.800   20.658   3.6659   17.031   4.3214 3.627151 5.666905 
1 1 1   30    3  -33 o   16.603   2.8636   40.040   12.309   25.301   17.323   55.068   17.492   12.963   4.2816   19.207   3.5205 -6.243412 5.543110 
1 1 1   30    3  -32 o   9.2622   3.0258   11.957   8.6604   5.6108   12.096   18.632   12.405   8.4586   3.4256   11.313   3.6150 -2.854077 4.980238 
1 1 1   30    3  -31 o   19.335   1.8515   51.714   9.4975   36.596   13.039   68.798   13.861   15.773   3.1876   22.138   2.3679 -6.364942 3.970868 
1 1 1   30    3  -30 o   14.569   2.3624   30.138   8.9280   25.285   12.521   35.157   12.734   13.016   3.5039   15.471   3.1708 -2.455128 4.725661 
1 1 1   30    3  -29 o   26.814   1.3857   97.911   9.9455   97.632   14.145   98.185   13.986   26.580   1.9960   26.666   1.9666 -0.8651543E-01 2.802059 
1 1 1   30    3  -28 o   6.3623   2.7041   0.6673   8.0673  -1.4652   11.593   2.6691   11.233   7.1826   3.1465   7.7365   3.2337 -0.5539131 4.511868 
1 1 1   30    3  -27 o   16.929   2.8500   41.252   12.498   43.041   18.059   39.607   17.315   16.810   4.0481   16.132   4.0128 0.6779671 5.699948 
1 1 1   30    3  -26 o   11.671   3.1121   19.990   9.9343   35.521   12.192 -10.6939   17.137   15.629   3.0136   7.7144   3.5576 7.914391 4.662437 
1 1 1   30    3  -25 o   17.685   1.8737   43.287   8.7646   50.867   12.607   36.196   12.193   18.970   2.5380   15.798   2.9830 3.172117 3.916550 
1 1 1   30    3  -24 o   9.5327   3.0108   12.761   8.6246   19.434   12.023   5.6880   12.378   11.562   3.5397   8.5915   3.4703 2.970895 4.957053 
1 1 1   30    3  -23 o   17.596   2.1914   43.250   10.133   25.779   12.618   74.976   17.003   13.191   3.5026   22.998   2.8112 -9.807025 4.491157 
1 1 1   30    3  -22 o   32.736   1.3509  145.273   11.878  138.906   20.079  148.700   14.732   31.620   2.3817   32.999   1.6675 -1.379417 2.907443 
1 1 1   30    3  -21 o   39.513   1.1851  211.129   12.577  202.500   16.532  222.985   19.379   38.589   1.5950   40.431   1.7846 -1.841621 2.393483 
1 1 1   30    3  -20 o   53.415   1.0082  385.017   14.465  389.100   20.839  381.221   20.093   53.562   1.4486   53.030   1.4107 0.5316620 2.021993 
1 1 1   30    3  -19 o   24.178   1.4165   79.487   9.1585   73.377   13.028   85.455   12.877   23.047   2.1287   24.943   1.9374 -1.895412 2.878325 
1 1 1   30    3  -18 o   53.206   1.1317  382.302   16.173  356.218   23.419  406.085   22.361   51.179   1.7036   54.713   1.5216 -3.534264 2.284249 
1 1 1   30    3  -17 o   19.607   1.6654   52.594   8.6875   56.376   12.604   49.170   11.991   20.120   2.3782   18.756   2.4379 1.364429 3.405774 
1 1 1   30    3  -16 o   33.539   1.1381  151.868   10.253  152.635   14.536  151.108   14.463   33.535   1.6138   33.367   1.6138 0.1681862 2.282284 
1 1 1   30    3  -15 o   17.963   1.7548   44.266   8.3585   48.910   12.240   40.208   11.442   18.700   2.4994   16.896   2.6050 1.804094 3.610107 
1 1 1   30    3  -14 o   16.629   2.0577   38.290   8.9945   33.271   14.355   41.533   11.541   15.082   3.5946   17.191   2.5790 -2.108652 4.424096 
1 1 1   30    3  -13 o   20.311   1.8363   56.550   9.9097   61.895   17.776   54.140   11.937   20.824   3.2871   19.758   2.2918 1.065928 4.007212 
1 1 1   30    3  -12 o   33.314   1.2112  149.852   10.837  137.985   16.739  158.416   14.220   31.767   1.9715   34.194   1.5484 -2.426283 2.506828 
1 1 1   30    3  -11 f   20.317   0.9859   55.633   5.3801   57.918   7.4702   53.171   7.7550   20.655   1.3540   19.767   1.4712 0.8879547 1.999469 
1 1 1   30    3  -10 o   32.131   1.0102  139.153   8.7178  129.380   10.626  159.276   15.248   30.948   1.2783   34.270   1.6565 -3.322018 2.092403 
1 1 1   30    3   -9 o   6.7146   2.3540   5.4963   5.2468   2.3347   7.2396   8.9940   7.6149   6.4730   2.6395   8.3527   2.8398 -1.879766 3.877001 
1 1 1   30    3   -8 o   24.617   1.0470   81.697   6.9225   80.555   10.096   82.710   9.5103   24.341   1.5523   24.686   1.4406 -0.3453255 2.117755 
1 1 1   30    3   -7 o   10.794   2.1971   16.465   6.1535   14.243   7.6707   20.477   10.307   10.010   2.7626   11.931   3.1645 -1.920262 4.200700 
1 1 1   30    3   -6 o   11.849   1.8681   19.529   5.7486   13.793   7.6617   26.917   8.6957   9.8656   2.7750   13.826   2.4303 -3.960640 3.688738 
1 1 1   30    3   -5 f   10.115   2.1118   14.454   5.5522   14.353   7.7554   14.561   7.9523   10.051   2.7795   10.125   2.8198 -0.7374859E-01 3.959413 
1 1 1   30    3   -4 o   34.887   0.8345  163.843   7.8195  166.083   11.091  161.628   11.026   35.084   1.1769   34.609   1.1862 0.4750404 1.670994 
1 1 1   30    3   -3 o   39.455   0.8078  209.522   8.5609  205.218   12.193  213.707   12.023   39.002   1.1639   39.806   1.1245 -0.8045387 1.618402 
1 1 1   30    3   -2 o   31.439   1.0107  133.196   8.5343  124.237   12.076  142.137   12.063   30.303   1.4836   32.428   1.3850 -2.124939 2.029596 
1 1 1   30    3   -1 o   60.960   0.8193  500.192   13.415  506.865   19.958  494.691   18.119   61.284   1.2125   60.567   1.1138 0.7172203 1.646393 
1 1 1   30    3    0 o   26.675   1.0138   95.888   7.2632   96.575   10.644   95.289   9.9361   26.676   1.4915   26.514   1.4002 0.1623096 2.045765 
1 1 1   30    3    1 o   25.891   1.0514   90.357   7.3112   86.367   10.810   93.720   9.9256   25.201   1.6054   26.292   1.4107 -1.091297 2.137130 
1 1 1   30    3    2 o   34.100   1.0099  156.700   9.2493  167.002   14.564  149.735   11.974   35.123   1.5438   33.291   1.3392 1.832447 2.043662 
1 1 1   30    3    3 o   8.1815   2.5360   9.1679   6.1499   12.976   9.1906   6.0806   8.2757   9.7447   3.1113   7.7103   2.9162 2.034447 4.264310 
1 1 1   30    3    4 o   16.097   1.7174   35.532   7.3108   40.262   10.179   30.494   10.507   17.021   2.2842   14.654   2.7709 2.367013 3.591026 
1 1 1   30    3    5 f   32.257   0.9637  140.177   8.3493  131.468   11.738  149.096   11.878   31.184   1.4015   33.219   1.3313 -2.035700 1.932991 
1 1 1   30    3    6 o   32.673   0.9425  143.805   8.2709  139.964   12.170  147.102   11.275   32.174   1.4082   33.005   1.2719 -0.8308754 1.897603 
1 1 1   30    3    7 o   25.058   1.1066   84.683   7.4477   85.552   10.918   83.927   10.185   25.073   1.6302   24.852   1.5334 0.2212105 2.237987 
1 1 1   30    3    8 o   18.760   1.3675   47.819   6.8428   37.772   9.9496   56.835   9.4260   16.466   2.3136   20.393   1.7375 -3.927179 2.893349 
1 1 1   30    3    9 o   56.852   0.9322  435.393   14.234  439.759   21.343  431.896   19.104   57.028   1.3934   56.552   1.2577 0.4762955 1.877062 
1 1 1   30    3   10 o   30.590   0.9898  126.112   8.1323  132.944   12.021  120.346   11.043   31.349   1.4277   29.834   1.3781 1.514891 1.984279 
1 1 1   30    3   11 f   32.464   0.9611  142.014   8.3807  145.120   12.260  139.291   11.482   32.757   1.3935   32.102   1.3317 0.6548119 1.927501 
1 1 1   30    3   12 o   13.438   1.8853   25.029   6.6173   25.385   9.5921   24.705   9.1408   13.328   2.7699   13.165   2.6762 0.1627741 3.851539 
1 1 1   30    3   13 o   16.185   1.6817   35.926   7.2038   44.528   10.684   28.756   9.7549   17.900   2.2735   14.232   2.6494 3.667692 3.491122 
1 1 1   30    3   14 o   39.312   0.9060  208.208   9.5665  217.379   14.146  200.479   12.986   40.099   1.3134   38.519   1.2552 1.579166 1.816773 
1 1 1   30    3   15 o   41.799   0.8900  235.369   9.9917  240.219   14.774  231.280   13.564   42.151   1.3050   41.377   1.2205 0.7742805 1.786782 
1 1 1   30    3   16 o   30.505   1.0278  125.506   8.4206  134.551   12.500  117.990   11.394   31.513   1.4768   29.516   1.4372 1.996059 2.060722 
1 1 1   30    3   17 o   37.148   0.9412  186.019   9.3906  164.189   13.641  205.684   12.947   34.810   1.4590   39.010   1.2357 -4.200329 1.911933 
1 1 1   30    3   18 o   20.210   1.4007   55.580   7.5561   71.921   11.078   41.363   10.333   22.909   1.8153   17.213   2.2919 5.695873 2.923705 
1 1 1   30    3   19 o   25.475   1.1917   87.715   8.1537   87.963   12.116   87.510   11.023   25.348   1.7911   25.324   1.6292 0.2413559E-01 2.421291 
1 1 1   30    3   20 o   22.237   1.5012   67.412   8.9139   67.073   12.891   67.722   12.339   21.992   2.2125   22.133   2.1008 -0.1409531 3.050969 
1 1 1   30    3   21 o   7.8785   2.7116   7.9802   6.9467   4.1028   9.9762   11.630   9.6788   7.6870   3.1117   9.3696   3.2015 -1.682667 4.464584 
1 1 1   30    3   22 o   10.818   2.5123   16.843   7.1596   27.021   10.259   7.1810   9.9961   13.659   2.8869   8.3374   3.1926 5.321481 4.304282 
1 1 1   30    3   23 o   17.135   1.7754   40.501   8.0523   26.507   12.607   50.144   10.465   13.376   3.4769   18.997   2.0852 -5.621174 4.054275 
1 1 1   30    3   24 o   7.0731   2.7161   4.9526   7.2475   11.679   10.056  -2.3184   10.455   9.4107   3.2611   6.7018   2.9600 2.708815 4.404137 
1 1 1   30    3   25 o   22.341   1.2995   67.896   7.7644   59.263   10.791   77.165   11.181   20.695   1.9649   23.699   1.7693 -3.004204 2.644065 
1 1 1   30    3   26 o   39.252   0.9266  207.935   9.7693  217.582   13.695  197.941   13.940   40.064   1.2727   38.188   1.3590 1.875881 1.861907 
1 1 1   30    3   27 o   28.438   1.1166  109.401   8.5287  110.368   11.959  108.400   12.166   28.420   1.5728   28.152   1.6158 0.2686348 2.254864 
1 1 1   30    3   28 o   30.248   1.2257  123.968   9.9584  129.039   12.350  114.544   16.836   30.795   1.4932   28.718   2.1994 2.076216 2.658415 
1 1 1   30    3   29 o   8.6795   3.0303   9.7790   8.6907   12.272   11.061   5.7569   14.049   9.6804   3.4159   8.9692   3.6693 0.7112408 5.013199 
1 1 1   30    3   30 o   36.471   1.0467  179.817   10.253  180.562   13.565  178.825   15.661   36.456   1.3853   36.208   1.6103 0.2486343 2.124195 
1 1 1   30    3   31 o   21.698   1.4072   64.263   8.1563   70.378   11.404   57.859   11.670   22.565   1.8992   20.356   2.1679 2.209633 2.882165 
1 1 1   30    3   32 o   26.119   1.3198   92.887   9.2286   86.187   12.697  100.390   13.437   24.971   1.9076   26.976   1.8659 -2.005510 2.668437 
1 1 1   30    3   33 o   7.7588   2.8901   6.9193   8.0640   1.1472   10.506   15.197   12.581   7.2248   3.0786   10.490   3.6470 -3.264864 4.772624 
1 1 1   30    3   34 o   21.960   1.5249   66.192   8.9384   65.384   11.663   67.341   13.915   21.647   2.0297   21.804   2.4166 -0.1576595 3.155896 
1 1 1   30    3   35 o   21.116   1.5011   61.282   8.4580   58.231   11.989   64.305   11.934   20.302   2.2357   21.404   2.1031 -1.102123 3.069423 
1 1 1   30    3   36 o   9.4146   2.8989   12.977   8.0508   15.019   10.894   10.521   11.950   10.156   3.3969   9.2468   3.5027 0.9091606 4.879302 
1 1 1   30    3   37 f   29.728   1.3955  121.063   11.143  119.612   14.882  122.915   16.809   29.248   1.9049   29.502   2.1357 -0.2546520 2.861762 
1 1 1   30    3   38 o   15.644   2.4262   35.725   9.8645   39.499   13.237   31.011   14.793   16.036   3.1857   13.809   3.8460 2.226615 4.994042 
1 1 1   30    3   39 o   29.278   1.4068  118.028   11.063  129.774   15.712  106.481   15.579   30.313   1.9400   27.301   2.1417 3.012011 2.889702 
1 1 1   30    3   40 o   27.988   1.4803  108.738   11.088   89.906   14.816  132.717   16.718   24.926   2.2368   30.481   2.0540 -5.554926 3.036798 
1 1 1   30    3   41 o   22.661   1.9554   73.543   11.785   73.660   17.723   73.450   15.779   21.684   3.1339   22.027   2.7251 -0.3429756 4.153012 
1 1 1   30    3   42 o   7.0993   3.0263   3.0479   10.160 -26.9124   16.304   22.067   12.991   5.8770   2.8965   11.348   3.7057 -5.471223 4.703420 
1 1 1   30    4  -34 o   12.277   3.4355   23.061   11.775   27.336   16.614   18.747   16.690   13.173   4.1807   11.460   4.1769 1.712505 5.909770 
1 1 1   30    4  -33 o   27.126   1.9631  102.326   14.206  112.713   20.114   91.988   20.066   28.059   2.7023   25.126   3.0349 2.933601 4.063606 
1 1 1   30    4  -32 o   13.867   3.2949   28.872   12.091   17.847   16.596   41.343   17.651   11.420   4.1647   16.296   4.0503 -4.876927 5.809399 
1 1 1   30    4  -31 o   19.508   1.8550   52.755   9.6025   59.465   13.531   45.946   13.630   20.469   2.5140   17.772   2.9593 2.696569 3.883020 
1 1 1   30    4  -30 o   9.0832   3.0069   11.383   8.5420   11.997   12.169   10.787   11.993   9.7500   3.5647   9.4607   3.5245 0.2893343 5.012875 
1 1 1   30    4  -29 o   25.864   1.4202   91.246   9.8284   91.380   14.281   91.126   13.547   25.655   2.0906   25.662   1.9808 -0.6734848E-02 2.879996 
1 1 1   30    4  -28 o   22.156   1.5944   67.291   9.4251   64.221   13.253   70.432   13.406   21.393   2.3450   22.449   2.2538 -1.056477 3.252489 
1 1 1   30    4  -27 o   17.550   1.9382   42.793   8.9838   45.152   12.862   40.545   12.554   17.733   2.7927   16.746   2.8959 0.9870682 4.023138 
1 1 1   30    4  -26 o   29.708   1.4792  120.108   11.803  119.946   20.535  120.188   14.424   29.162   2.6506   29.563   1.8254 -0.4015903 3.218382 
1 1 1   30    4  -25 o   37.902   1.3216  194.959   13.454  193.627   16.117  198.021   24.438   37.684   1.5923   37.665   2.4286 0.1863480E-01 2.904053 
1 1 1   30    4  -24 o   5.5613   2.5829  -7.4419   9.2725  -3.2268   11.951 -13.8183   14.698   7.0444   3.1353   6.7289   3.1660 0.3155451 4.455709 
1 1 1   30    4  -23 o   47.355   1.0600  303.126   13.482  307.056   19.221  299.320   18.916   47.503   1.5065   46.903   1.5015 0.6001587 2.126994 
1 1 1   30    4  -22 o   10.447   3.1870   15.685   9.7574   10.266   11.916   26.711   16.998   9.3849   3.5098   13.385   4.2268 -4.000097 5.494035 
1 1 1   30    4  -21 o   5.6495   2.5789  -5.1347   8.6989 -10.6922   13.604  -1.2904   11.314   6.7080   3.1198   7.1362   3.1177 -0.4281392 4.410579 
1 1 1   30    4  -20 o   29.813   1.4326  120.671   11.472  122.977   19.646  119.479   14.131   29.680   2.4874   29.524   1.7905 0.1563015 3.064775 
1 1 1   30    4  -19 o   49.023   1.0229  324.488   13.468  324.157   19.301  324.803   18.803   48.859   1.4708   48.922   1.4310 -0.6309891E-01 2.052054 
1 1 1   30    4  -18 o   6.6155   2.7190   2.2988   7.7593   5.1435   11.186  -0.3389   10.772   8.2201   3.3064   7.1319   3.0793 1.088209 4.518263 
1 1 1   30    4  -17 o   32.784   1.1485  145.243   10.113  143.636   14.323  146.840   14.280   32.454   1.6486   32.863   1.6178 -0.4082222 2.309797 
1 1 1   30    4  -16 o   40.642   1.0613  222.972   11.585  219.973   16.744  225.726   16.046   40.250   1.5488   40.797   1.4644 -0.5465546 2.131466 
1 1 1   30    4  -15 o   17.059   1.8555   40.124   8.3645   41.183   11.853   39.074   11.806   17.056   2.6753   16.583   2.7467 0.4736614 3.834270 
1 1 1   30    4  -14 o   15.068   2.1111   31.647   8.3094   40.430   12.250   24.161   11.309   16.864   2.8029   12.876   3.2652 3.987762 4.303240 
1 1 1   30    4  -13 o   11.326   2.8535   18.493   8.6764   40.187   13.675   3.8743   11.225   16.703   3.1638   8.0232   3.2809 8.680128 4.557841 
1 1 1   30    4  -12 o   27.620   1.0114  102.882   7.5033  110.046   9.2735   89.302   12.768   28.540   1.2098   25.537   1.8746 3.003027 2.231108 
1 1 1   30    4  -11 o   52.506   0.7681  371.122   10.833  362.488   15.979  378.464   14.735   51.816   1.1482   52.971   1.0357 -1.155727 1.546263 
1 1 1   30    4  -10 o   17.957   1.2702   43.795   6.0867   51.855   7.9664   32.491   9.4343   19.501   1.5334   15.212   2.3876 4.288078 2.837545 
1 1 1   30    4   -9 o   19.434   1.1599   51.168   6.0271   56.653   8.6701   46.038   8.3844   20.377   1.5969   18.331   1.7231 2.046019 2.349325 
1 1 1   30    4   -8 o   19.658   1.2046   52.377   6.3297   54.330   9.7433   50.951   8.3259   19.902   1.8437   19.315   1.6199 0.5869789 2.454192 
1 1 1   30    4   -7 o   36.974   0.8430  184.093   8.3717  190.984   11.522  176.387   12.184   37.618   1.1404   36.133   1.2555 1.485054 1.696072 
1 1 1   30    4   -6 o   36.040   0.9552  175.038   9.2463  174.094   11.381  176.872   15.858   35.911   1.1800   36.109   1.6351 -0.1987114 2.016382 
1 1 1   30    4   -5 o   36.152   0.9335  176.088   9.0639  180.110   11.771  170.228   14.207   36.523   1.1999   35.456   1.4919 1.067951 1.914500 
1 1 1   30    4   -4 o   46.488   0.9023  291.108   11.267  282.612   13.862  307.651   19.342   45.766   1.1277   47.661   1.5109 -1.895348 1.885342 
1 1 1   30    4   -3 o   25.489   1.1133   87.651   7.6217   86.036   11.369   88.969   10.272   25.123   1.6947   25.589   1.5011 -0.4668064 2.263921 
1 1 1   30    4   -2 f   34.590   0.8677  161.125   8.0614  163.731   11.517  158.621   11.288   34.820   1.2314   34.273   1.2262 0.5468254 1.737823 
1 1 1   30    4   -1 o   21.619   1.1406   63.242   6.5997   61.815   9.1874   64.765   9.4866   21.292   1.6186   21.794   1.6325 -0.5021286 2.298871 
1 1 1   30    4    0 o   19.777   1.2637   53.049   6.6779   59.562   9.3298   46.207   9.5624   20.887   1.6772   18.317   1.9749 2.570278 2.591020 
1 1 1   30    4    1 o   16.143   1.5517   35.623   6.6450   27.006   9.4226   44.148   9.3726   13.790   2.6402   17.897   1.9831 -4.107794 3.302014 
1 1 1   30    4    2 f   43.602   0.8420  255.985   9.8607  242.538   13.369  272.026   14.602   42.390   1.1743   44.885   1.2112 -2.495697 1.686986 
1 1 1   30    4    3 o   51.281   0.8017  354.009   11.042  361.348   15.627  346.690   15.605   51.751   1.1242   50.686   1.1463 1.065102 1.605561 
1 1 1   30    4    4 o   9.2995   2.4380   12.300   6.1639   12.091   8.7774   12.505   8.6580   9.4285   3.0437   9.5347   3.0172 -0.1062002 4.285781 
1 1 1   30    4    5 o   44.231   0.8184  263.395   9.7223  273.453   13.900  253.762   13.603   45.013   1.1497   43.359   1.1681 1.654346 1.638990 
1 1 1   30    4    6 o   24.004   1.2298   78.024   7.9021   70.157   10.878   86.813   11.498   22.649   1.8031   25.231   1.7067 -2.582375 2.482791 
1 1 1   30    4    7 o   46.680   0.8515  293.441   10.676  297.062   14.722  289.425   15.505   46.910   1.1685   46.286   1.2472 0.6235809 1.709044 
1 1 1   30    4    8 o   29.986   1.1102  121.326   8.9412  105.857   12.419  137.973   12.883   27.878   1.6662   31.914   1.5029 -4.035685 2.243893 
1 1 1   30    4    9 o   19.066   1.3731   49.425   6.9845   44.279   9.7031   54.959   10.062   17.899   2.0556   20.004   1.8953 -2.104567 2.796043 
1 1 1   30    4   10 o   10.119   2.3757   14.606   6.3464   9.9778   8.8299   19.551   9.1278   8.8343   3.0562   11.648   2.9225 -2.813182 4.228620 
1 1 1   30    4   11 o   36.497   0.8922  179.464   8.7460  178.674   12.349  180.260   12.388   36.358   1.2646   36.519   1.2630 -0.1612167 1.787267 
1 1 1   30    4   12 o   44.503   0.8771  266.821   10.484  275.215   15.429  259.619   14.291   45.119   1.2731   43.835   1.2138 1.283825 1.759048 
1 1 1   30    4   13 o   18.719   1.4294   47.731   7.1325   46.274   9.7295   49.424   10.487   18.302   2.0125   18.899   2.1015 -0.5965462 2.909723 
1 1 1   30    4   14 o   40.615   0.8713  222.255   9.5044  230.872   13.447  213.653   13.436   41.331   1.2113   39.750   1.2585 1.581161 1.746681 
1 1 1   30    4   15 o   21.873   1.2576   64.911   7.3568   69.370   10.447   60.526   10.361   22.511   1.7414   20.990   1.8570 1.520885 2.545768 
1 1 1   30    4   16 o   20.473   1.3118   56.964   7.1758   67.189   10.014   46.175   10.287   22.159   1.6955   18.234   2.1412 3.924747 2.731220 
1 1 1   30    4   17 o   27.506   1.0727  102.165   7.9249  112.803   11.220   91.573   11.195   28.802   1.4550   25.903   1.6172 2.898180 2.175442 
1 1 1   30    4   18 o   7.0100   2.6483   5.1234   6.8202  -2.5525   9.4642   13.416   9.8369   6.3358   2.8064   9.8655   3.2249 -3.529715 4.274999 
1 1 1   30    4   19 o   17.949   1.9428   44.589   9.2165   46.176   13.572   43.230   12.556   17.955   2.9142   17.409   2.7786 0.5461216 4.026583 
1 1 1   30    4   20 o   37.726   0.9380  192.037   9.5043  185.415   13.258  199.038   13.632   36.981   1.3347   38.319   1.3245 -1.337296 1.880395 
1 1 1   30    4   21 o   24.088   1.3075   78.883   8.4276   69.930   12.449   86.457   11.450   22.461   2.0874   25.116   1.7075 -2.655399 2.696861 
1 1 1   30    4   22 o   35.685   0.9751  171.936   9.3458  182.778   13.126  160.786   13.310   36.707   1.3313   34.399   1.4406 2.308346 1.961560 
1 1 1   30    4   23 o   8.0931   2.8335   8.3650   7.6011   14.597   9.8910  -0.6242   11.879   10.148   3.2264   7.3981   3.2139 2.749942 4.553977 
1 1 1   30    4   24 o   20.822   1.4905   59.282   8.2805   58.619   10.965   60.161   12.632   20.555   2.0119   20.724   2.3085 -0.1686230 3.062194 
1 1 1   30    4   25 o   32.069   1.1040  139.132   9.5091  142.425   12.628  134.820   14.451   32.360   1.4529   31.360   1.7223 1.000134 2.253243 
1 1 1   30    4   26 o   29.357   1.1046  116.604   8.7097  128.322   12.363  105.059   12.272   30.701   1.4993   27.691   1.6576 3.010393 2.235076 
1 1 1   30    4   27 o   5.9518   2.5566  -0.0349   7.3511  -3.7026   10.208   3.9166   10.595   6.3975   2.8687   7.7783   3.1848 -1.380721 4.286348 
1 1 1   30    4   28 o   25.604   1.4120   89.386   9.6731   86.796   13.179   92.411   14.242   25.050   1.9748   25.815   2.0715 -0.7651062 2.861976 
1 1 1   30    4   29 o   25.279   1.3412   87.032   9.0740   91.546   11.910   80.786   14.009   25.812   1.7279   24.074   2.1906 1.737955 2.790004 
1 1 1   30    4   30 o   21.078   1.5460   60.906   8.6911   49.007   11.427   77.237   13.387   18.644   2.3329   23.543   2.1404 -4.898436 3.166027 
1 1 1   30    4   31 o   7.8621   2.8142   7.7187   7.5333   6.6111   10.478   8.9039   10.839   8.2532   3.2388   8.8230   3.3373 -0.5698338 4.650517 
1 1 1   30    4   32 o   8.6639   2.8475   10.416   7.6657   12.230   10.522   8.3646   11.190   9.5229   3.3339   8.7549   3.3717 0.7680283 4.741617 
1 1 1   30    4   33 o   23.020   1.3805   72.493   8.4964   59.990   11.763   86.130   12.285   20.659   2.1515   24.925   1.8482 -4.266293 2.836369 
1 1 1   30    4   34 o   31.829   1.1130  137.531   9.5147  136.848   13.314  138.244   13.602   31.583   1.5695   31.691   1.6032 -0.1086788 2.243593 
1 1 1   30    4   35 o   12.703   2.4672   23.614   8.1144   18.034   11.207   29.763   11.764   10.908   3.4304   13.965   3.2043 -3.057008 4.694202 
1 1 1   30    4   36 o   5.5749   2.5600  -5.0441   8.7432  -3.7623   12.346  -6.3337   12.384   6.9186   3.1240   6.6233   3.0433 0.2952991 4.361344 
1 1 1   30    4   37 o   9.1565   3.1713   12.111   9.5093   5.4450   12.712   20.582   14.330   8.2924   3.4507   11.407   3.8955 -3.115035 5.204080 
1 1 1   30    4   38 f   10.205   3.4872   16.053   11.484   1.3226   16.275   30.658   16.206   8.3726   3.6958   13.409   4.1102 -5.036532 5.527453 
1 1 1   30    4   39 o   8.2026   3.2219   8.0673   10.378 -18.7724   13.737   43.743   15.838   5.7859   2.8098   16.237   3.7125 -10.45091 4.655881 
1 1 1   30    4   40 o   11.617   3.1195   21.752   9.9389   28.232   14.977   16.652   13.286   12.688   3.9617   10.217   3.7263 2.470361 5.438764 
1 1 1   30    4   41 o   10.201   3.3033   17.099   10.332   11.145   14.725   22.874   14.501   9.1976   3.7589   11.394   3.9180 -2.196701 5.429555 
1 1 1   30    5  -33 o   31.348   2.0892  137.927   17.490  150.669   21.781  114.800   29.344   32.458   2.5181   26.924   4.1944 5.533747 4.892199 
1 1 1   30    5  -32 o   12.840   3.4446   25.235   12.125   30.765   17.178   19.744   17.118   13.911   4.2253   11.701   4.2354 2.210025 5.982636 
1 1 1   30    5  -31 o   11.955   3.4502   21.593   11.694   16.863   15.946   27.098   17.202   11.120   4.0782   13.222   4.2602 -2.102466 5.897565 
1 1 1   30    5  -30 o   10.836   3.1753   17.347   9.8373   27.590   15.600   10.585   12.675   13.388   4.0177   9.4886   3.6042 3.899216 5.397398 
1 1 1   30    5  -29 f   9.6742   3.0152   13.425   8.6799   13.209   12.440   13.631   12.117   10.028   3.6136   10.080   3.5732 -0.5246353E-01 5.081885 
1 1 1   30    5  -28 o   24.382   1.4964   81.320   9.7526   79.753   13.878   82.849   13.708   23.901   2.1859   24.394   2.1131 -0.4927540 3.040329 
1 1 1   30    5  -27 o   23.204   1.5924   73.823   9.8643   63.609   13.994   83.909   13.906   21.208   2.5052   24.554   2.1298 -3.346096 3.288161 
1 1 1   30    5  -26 o   20.074   1.7463   55.558   9.3217   57.805   13.197   53.321   13.168   20.220   2.4821   19.364   2.5973 0.8562355 3.592626 
1 1 1   30    5  -25 o   38.683   1.3311  203.211   13.830  185.584   23.721  212.288   17.022   36.421   2.4390   39.437   1.6070 -3.016121 2.920764 
1 1 1   30    5  -24 o   41.960   1.1849  238.537   13.354  243.680   20.319  234.626   17.717   42.171   1.7939   41.468   1.5907 0.7024841 2.397603 
1 1 1   30    5  -23 o   16.088   2.4736   36.814   10.346   36.170   12.119   38.544   19.870   15.761   2.9716   15.719   4.4856 0.4243279E-01 5.380637 
1 1 1   30    5  -22 o   40.182   1.1010  218.451   11.883  228.956   16.640  207.520   16.974   41.003   1.5109   38.996   1.6206 2.007137 2.215665 
1 1 1   30    5  -21 o   28.749   1.4860  112.767   11.436  122.641   14.387   95.822   18.846   29.877   1.8012   26.004   2.7395 3.872381 3.278611 
1 1 1   30    5  -20 o   32.914   1.2331  146.792   10.901  142.404   15.045  151.642   15.816   32.230   1.7445   33.249   1.7775 -1.018974 2.490531 
1 1 1   30    5  -19 o   19.001   1.7614   49.752   8.8874   34.405   12.878   63.708   12.281   15.297   3.2353   21.392   2.1673 -6.094790 3.894145 
1 1 1   30    5  -18 f   49.173   1.1601  327.169   15.322  316.329   25.446  333.335   19.191   48.012   1.9732   49.533   1.4425 -1.520565 2.444246 
1 1 1   30    5  -17 o   14.640   2.3376   30.301   8.8826   27.755   12.812   32.659   12.326   13.678   3.4792   14.940   3.1700 -1.262281 4.706736 
1 1 1   30    5  -16 o   8.3374   2.9050   8.9016   7.9849  -8.1033   11.833   23.119   10.820   6.4207   2.9593   12.552   3.1997 -6.131399 4.358392 
1 1 1   30    5  -15 o   9.4682   2.9772   12.540   8.4416   6.2567   12.127   18.447   11.758   8.6582   3.4567   11.330   3.5057 -2.671371 4.923310 
1 1 1   30    5  -14 o   21.784   1.4917   64.717   8.6754   66.138   12.540   63.412   12.015   21.841   2.1661   21.397   2.1184 0.4444504 3.029809 
1 1 1   30    5  -13 o   30.679   1.1812  127.241   9.7331  122.987   13.980  131.244   13.559   29.996   1.7427   31.023   1.6330 -1.026291 2.388235 
1 1 1   30    5  -12 o   39.651   0.8531  211.858   9.0851  215.453   11.177  204.857   15.597   39.953   1.0416   38.855   1.4945 1.098209 1.821667 
1 1 1   30    5  -11 o   35.270   0.8597  167.626   8.1440  168.328   13.071  167.180   10.412   35.251   1.3806   35.185   1.1017 0.6527710E-01 1.766288 
1 1 1   30    5  -10 o   72.783   0.8977  713.982   17.549  703.390   24.624  724.915   25.017   72.112   1.2714   73.206   1.2723 -1.094643 1.798644 
1 1 1   30    5   -9 o   32.294   0.8718  140.523   7.5616  134.620   11.293  145.321   10.181   31.538   1.3331   32.799   1.1557 -1.261143 1.764293 
1 1 1   30    5   -8 o   30.623   0.9737  126.452   8.0085  130.851   11.013  121.515   11.667   31.098   1.3185   29.945   1.4506 1.153414 1.960267 
1 1 1   30    5   -7 o   39.207   0.7987  206.994   8.4106  207.925   11.995  206.093   11.797   39.240   1.1381   39.069   1.1242 0.1706161 1.599669 
1 1 1   30    5   -6 o   6.4566   2.3789   4.6019   5.4349   4.8877   7.8122   4.3338   7.5660   7.2572   2.8109   7.0452   2.7558 0.2119799 3.936432 
1 1 1   30    5   -5 o   16.789   1.4346   38.449   6.4072   34.296   8.6367   43.532   9.5549   15.706   2.1000   17.740   2.0426 -2.034115 2.929574 
1 1 1   30    5   -4 o   6.1890   2.5056   2.3847   6.4689   0.7348   9.7229   3.6950   8.6650   6.9969   2.9711   7.2400   2.9108 -0.2431474 4.159323 
1 1 1   30    5   -3 o   27.378   1.1974  101.259   8.8053  104.109   10.220   93.048   17.347   27.736   1.3719   25.871   2.5289 1.865143 2.877022 
1 1 1   30    5   -2 o   24.053   1.1353   78.107   7.3344   88.498   9.8105   64.941   11.043   25.523   1.4369   21.748   1.9099 3.775051 2.390048 
1 1 1   30    5   -1 o   28.951   1.0967  113.118   8.5278  107.275   10.537  124.214   14.520   28.152   1.3935   30.162   1.8005 -2.010220 2.276787 
1 1 1   30    5    0 o   19.809   1.4580   53.435   7.7031   57.894   10.004   46.942   12.073   20.544   1.8322   18.302   2.5230 2.242491 3.118130 
1 1 1   30    5    1 o   24.544   1.1920   81.367   7.8581   76.035   10.132   89.416   12.448   23.617   1.6068   25.568   1.8246 -1.950617 2.431292 
1 1 1   30    5    2 o   41.559   0.8746  232.673   9.7624  234.964   13.009  229.719   14.771   41.713   1.1611   41.209   1.3345 0.5045319 1.768919 
1 1 1   30    5    3 o   15.735   1.6699   33.997   6.9498   30.781   9.0715   38.566   10.813   14.800   2.3615   16.561   2.5096 -1.761617 3.445939 
1 1 1   30    5    4 o   11.216   2.2739   17.848   6.6159   14.488   8.6160   22.676   10.328   10.105   2.9747   12.510   3.0915 -2.405130 4.290203 
1 1 1   30    5    5 o   20.991   1.3000   59.812   7.2930   61.641   9.5551   57.260   11.288   21.233   1.6894   20.362   2.0937 0.8712959 2.690309 
1 1 1   30    5    6 o   33.981   0.9608  155.673   8.7692  156.851   11.585  154.094   13.420   34.060   1.2663   33.718   1.4818 0.3424416 1.949166 
1 1 1   30    5    7 o   29.123   1.1248  114.516   8.7981  125.290   12.264  103.093   12.629   30.398   1.5021   27.482   1.7195 2.916029 2.283202 
1 1 1   30    5    8 o   6.0535   2.5563   0.6961   7.1341   0.7091   9.9239   0.6823   10.263   7.0534   2.9985   7.1594   3.0465 -0.1059675 4.274611 
1 1 1   30    5    9 o   23.897   1.2063   77.373   7.7174   77.297   10.808   77.451   11.024   23.782   1.7033   23.797   1.7367 -0.1561165E-01 2.432502 
1 1 1   30    5   10 o   24.901   1.1139   83.732   7.4501   82.687   10.308   84.875   10.780   24.631   1.5662   24.944   1.6178 -0.3130226 2.251737 
1 1 1   30    5   11 o   19.504   1.4674   51.870   7.6308   47.390   10.151   57.691   11.571   18.494   2.0796   20.409   2.1428 -1.914738 2.986033 
1 1 1   30    5   12 o   6.8978   2.6534   4.5741   6.9239   6.5528   8.8508   1.4534   11.115   7.9328   3.0121   7.5447   3.1886 0.3880095 4.386371 
1 1 1   30    5   13 o   16.210   1.6892   36.140   7.2467   38.736   9.4221   32.381   11.339   16.671   2.1547   14.993   2.9207 1.677107 3.629472 
1 1 1   30    5   14 o   24.072   1.2419   78.610   8.0023   88.902   10.643   65.225   12.138   25.531   1.5595   21.707   2.1085 3.824179 2.622574 
1 1 1   30    5   15 o   34.207   0.9943  157.928   9.1349  153.042   12.026  164.592   14.046   33.607   1.3323   34.810   1.5023 -1.202808 2.007922 
1 1 1   30    5   16 o   25.009   1.2008   84.633   8.0659   86.551   10.621   82.019   12.397   25.175   1.5788   24.411   1.9059 0.7634754 2.474910 
1 1 1   30    5   17 o   4.6142   2.1961  -9.1679   7.4656   4.6810   9.8545 -27.8228   11.437   7.7525   3.1086   4.6630   2.3204 3.089519 3.879144 
1 1 1   30    5   18 f   6.4943   2.7636   0.6060   8.4460   4.1845   10.908  -4.7520   13.347   7.9353   3.2383   7.2887   3.2735 0.6466103 4.604582 
1 1 1   30    5   19 o   5.9677   2.5418   0.3819   7.1564  -3.2791   9.5289   5.1185   10.839   6.2279   2.7837   8.0895   3.2544 -1.861626 4.282482 
1 1 1   30    5   20 o   17.950   1.5789   44.229   7.5348   48.611   10.520   39.614   10.797   18.663   2.1372   16.713   2.4805 1.950871 3.274217 
1 1 1   30    5   21 o   24.297   1.3028   80.318   8.4714   70.221   11.039   94.785   13.213   22.567   1.8371   26.222   1.8887 -3.654545 2.634789 
1 1 1   30    5   22 o   8.6130   2.8929   10.007   7.9014   2.1845   10.371   20.829   12.199   7.3933   3.0999   11.877   3.5501 -4.484141 4.713048 
1 1 1   30    5   23 o   4.6491   2.2095  -8.9350   7.5048 -10.3151   9.6634  -6.8376   11.913   5.3752   2.5406   6.5649   3.0048 -1.189622 3.934908 
1 1 1   30    5   24 o   29.253   1.1832  115.937   9.2968  113.559   12.419  118.968   14.022   28.801   1.6119   29.419   1.7829 -0.6181049 2.403553 
1 1 1   30    5   25 o   36.669   0.9938  181.705   9.7875  188.199   13.567  174.658   14.134   37.218   1.3572   35.819   1.4691 1.399448 2.000042 
1 1 1   30    5   26 o   20.900   1.4353   59.698   8.0083   55.328   11.052   64.530   11.620   19.919   2.0972   21.551   2.0315 -1.631401 2.919831 
1 1 1   30    5   27 o   25.423   1.2380   87.659   8.4532   98.071   11.902   77.060   12.008   26.735   1.6658   23.605   1.9104 3.130119 2.534607 
1 1 1   30    5   28 o   8.6770   2.8184   10.444   7.5180   17.120   10.314   2.8772   10.981   10.819   3.2713   7.6735   3.2014 3.145923 4.577191 
1 1 1   30    5   29 f   20.044   1.5325   55.140   8.1881   50.070   11.498   60.357   11.663   18.833   2.3221   20.780   2.1194 -1.946760 3.143866 
1 1 1   30    5   30 o   17.889   1.7223   44.288   8.1729   43.726   11.264   44.914   11.877   17.511   2.4629   17.706   2.5729 -0.1949692 3.561703 
1 1 1   30    5   31 o   18.991   1.6511   49.821   8.3384   36.931   11.400   64.650   12.228   15.920   2.7664   21.458   2.1505 -5.538019 3.503988 
1 1 1   30    5   32 o   26.276   1.2377   93.939   8.7350   81.691   12.119  107.182   12.602   24.235   1.8764   27.864   1.6918 -3.628811 2.526443 
1 1 1   30    5   33 o   16.308   1.8760   37.333   8.0677   38.352   11.230   36.245   11.598   16.190   2.6760   15.638   2.8668 0.5515461 3.921722 
1 1 1   30    5   34 o   17.689   1.7693   43.784   8.2937   52.105   11.893   35.904   11.572   19.021   2.3799   15.497   2.8865 3.524831 3.741062 
1 1 1   30    5   35 o   33.800   1.3019  156.438   11.819  143.485   17.849  166.552   15.773   31.825   2.0999   34.645   1.6951 -2.819197 2.698687 
1 1 1   30    5   36 o   20.394   1.8011   58.565   9.7644   69.257   14.027   48.514   13.601   21.790   2.4386   17.888   2.9324 3.901857 3.813842 
1 1 1   30    5   37 o   27.066   1.5872  102.199   11.488  120.190   17.052   87.244   15.546   28.862   2.2165   24.423   2.4010 4.439375 3.267684 
1 1 1   30    5   38 o   6.7311   2.9042   1.4677   9.5682   2.9960   13.313  -0.1653   13.761   7.8688   3.4103   7.5426   3.3601 0.3262577 4.787579 
1 1 1   30    5   39 o   17.740   2.8532   48.864   13.134   67.619   16.599   17.466   21.477   20.695   3.0801   10.728   4.4767 9.967189 5.433936 
1 1 1   30    5   40 o   8.4527   3.3751   9.3585   11.563   23.660   15.104 -10.8887   17.971   11.454   3.9951   7.2444   3.4360 4.209080 5.269484 
1 1 1   30    6  -32 o   11.763   4.2634   20.951   17.353   20.951   17.353   0.0000   0.0000   11.763   4.2634  ?   ?  0.000000 4.263363 
1 1 1   30    6  -31 o   20.364   2.4275   59.420   13.016   59.383   18.699   59.456   18.128   19.607   3.6861   19.706   3.5559 -0.9946251E-01 5.121699 
1 1 1   30    6  -30 o   14.457   3.7755   32.592   14.820   46.040   26.648   26.571   17.831   16.372   5.3053   13.046   4.3456 3.326186 6.857873 
1 1 1   30    6  -29 o   22.125   1.9061   68.088   11.217   68.734   18.910   67.737   13.933   21.475   3.3911   21.845   2.4150 -0.3700256 4.163141 
1 1 1   30    6  -28 o   17.497   1.9989   42.835   9.2255   38.683   12.776   47.359   13.336   16.201   3.0478   18.063   2.8427 -1.861570 4.167771 
1 1 1   30    6  -27 o   11.215   3.1594   18.639   9.9234   16.025   14.373   21.019   13.717   10.850   3.8868   11.894   3.8014 -1.044355 5.436752 
1 1 1   30    6  -26 o   24.922   1.4864   84.965   9.9045   73.232   14.054   96.541   13.960   22.827   2.3247   26.389   1.9842 -3.561600 3.056331 
1 1 1   30    6  -25 o   13.107   2.6071   24.871   8.8554   40.127   12.653   10.223   12.398   16.603   2.9453   9.4048   3.5664 7.197783 4.625354 
1 1 1   30    6  -24 o   24.342   1.5962   81.243   10.378   68.751   15.715   90.906   13.821   21.952   2.7237   25.599   2.0268 -3.646706 3.395078 
1 1 1   30    6  -23 o   39.968   1.2111  216.599   13.001  211.379   19.999  220.420   17.109   39.212   1.8989   40.183   1.5852 -0.9710159 2.473637 
1 1 1   30    6  -22 o   22.522   1.6235   69.631   9.7549   82.003   13.857   57.476   13.735   24.260   2.1488   20.102   2.6051 4.158630 3.377000 
1 1 1   30    6  -21 o   44.197   1.2339  264.914   14.648  260.079   17.535  276.076   26.645   43.692   1.4942   44.632   2.2227 -0.9395599 2.678279 
1 1 1   30    6  -20 o   8.0065   3.0764   6.6660   9.3010   17.990   11.511 -14.6335   15.787   11.116   3.4736   6.9572   3.2757 4.158389 4.774530 
1 1 1   30    6  -19 o   29.979   1.4144  122.223   11.389  126.710   13.901  113.063   19.860   30.392   1.7099   28.291   2.6442 2.101103 3.148933 
1 1 1   30    6  -18 o   38.613   1.1004  201.738   11.412  202.439   16.174  201.042   16.104   38.535   1.5627   38.402   1.5613 0.1326637 2.209023 
1 1 1   30    6  -17 o   54.686   1.0165  404.142   14.931  394.470   21.047  413.943   21.185   53.852   1.4551   55.178   1.4295 -1.325436 2.039794 
1 1 1   30    6  -16 o   45.128   1.1464  275.633   13.896  292.516   22.464  265.170   17.685   46.223   1.8094   44.145   1.4915 2.078407 2.344896 
1 1 1   30    6  -15 o   9.7093   3.1568   13.148   9.4309   3.1394   15.819   18.667   11.747   8.9860   3.8012   11.338   3.5034 -2.351912 5.169423 
1 1 1   30    6  -14 o   26.931   1.3160   98.358   9.5193   90.670   13.535  105.885   13.391   25.629   1.9815   27.769   1.8052 -2.140062 2.680542 
1 1 1   30    6  -13 o   17.787   1.7471   43.593   8.2389   37.193   12.261   48.862   11.125   16.040   2.9548   18.689   2.2624 -2.649040 3.721427 
1 1 1   30    6  -12 o   25.232   0.9951   85.951   6.7436   83.866   8.1571   90.453   11.986   24.891   1.2201   25.687   1.7477 -0.7960320 2.131439 
1 1 1   30    6  -11 o   25.397   0.8879   86.979   6.0567   82.708   8.4052   91.591   8.7352   24.680   1.2723   26.009   1.2504 -1.328913 1.783870 
1 1 1   30    6  -10 o   8.3089   2.2710   9.8228   5.2128   3.6294   7.7715   14.888   7.0283   6.9165   2.7651   10.166   2.5720 -3.249364 3.776420 
1 1 1   30    6   -9 o   19.415   1.2781   51.253   6.6277   59.814   11.102   46.513   8.2615   20.803   2.0120   18.405   1.6901 2.398405 2.627637 
1 1 1   30    6   -8 o   30.795   0.9595  127.931   7.9364  120.116   11.281  135.589   11.167   29.761   1.4113   31.641   1.3140 -1.879316 1.928313 
1 1 1   30    6   -7 o   6.3619   2.4172   4.0584   5.7022   11.910   8.2680  -3.0640   7.8746   9.2721   2.9500   5.6438   2.5260 3.628306 3.883712 
1 1 1   30    6   -6 o   11.421   1.9164   18.284   5.6706   18.530   8.2118   18.060   7.8400   11.328   2.7308   11.195   2.6487 0.1333046 3.804327 
1 1 1   30    6   -5 o   9.9215   2.2379   14.047   5.8215   18.488   8.4095   9.9599   8.0669   11.310   2.7864   8.6738   2.9230 2.636642 4.038294 
1 1 1   30    6   -4 f   28.936   1.1129  113.094   8.6492  108.785   12.980  116.535   11.599   28.216   1.7210   29.271   1.4802 -1.055649 2.269984 
1 1 1   30    6   -3 o   8.5809   2.5378   10.360   6.2582   25.036   8.6885  -5.4635   9.0216   13.253   2.5332   5.7483   2.6249 7.504626 3.647895 
1 1 1   30    6   -2 o   35.340   0.9209  168.385   8.7408  175.067   11.819  160.317   12.986   35.981   1.2229   34.394   1.4058 1.587093 1.863276 
1 1 1   30    6   -1 o   51.096   0.8764  351.858   12.028  349.225   15.577  355.746   18.928   50.842   1.1407   51.245   1.3752 -0.4031143 1.786694 
1 1 1   30    6    0 o   27.051   1.1149   98.834   8.1006  101.089   11.090   96.255   11.861   27.250   1.5213   26.551   1.6718 0.6990280 2.260336 
1 1 1   30    6    1 o   33.165   0.9230  148.292   8.2219  148.216   11.550  148.371   11.707   33.092   1.2994   33.106   1.3165 -0.1387405E-01 1.849811 
1 1 1   30    6    2 o   13.867   1.7840   26.616   6.4908   38.402   9.0899   14.355   9.2714   16.622   2.0816   10.089   3.1116 6.533888 3.743723 
1 1 1   30    6    3 o   18.867   1.3551   48.455   6.8211   37.759   9.4868   59.902   9.8144   16.447   2.2028   20.898   1.7651 -4.450148 2.822730 
1 1 1   30    6    4 f   13.418   1.8686   25.020   6.5513   29.202   9.0001   20.307   9.5545   14.370   2.4176   11.826   3.0025 2.543974 3.854881 
1 1 1   30    6    5 o   32.561   0.9466  142.987   8.2786  142.225   11.508  143.804   11.918   32.409   1.3220   32.581   1.3619 -0.1712494 1.898056 
1 1 1   30    6    6 o   10.236   2.6257   15.076   7.2540   24.769   10.508   6.2512   10.026   13.047   3.0528   8.1556   3.1773 4.891454 4.406211 
1 1 1   30    6    7 o   15.488   1.8132   33.150   7.3998   27.495   9.2570   43.159   12.316   13.884   2.5773   17.433   2.7190 -3.549171 3.746387 
1 1 1   30    6    8 o   39.834   0.9165  213.977   9.8061  207.962   12.927  222.129   15.049   39.206   1.2276   40.479   1.3842 -1.273048 1.850110 
1 1 1   30    6    9 o   27.745   1.1009  104.006   8.2040   94.797   10.775  116.707   12.654   26.372   1.5277   29.246   1.6173 -2.873350 2.224756 
1 1 1   30    6   10 o   22.229   1.4026   67.280   8.3308   76.049   11.789   58.534   11.774   23.514   1.8825   20.526   2.1684 2.987215 2.871526 
1 1 1   30    6   11 o   19.622   1.6392   52.779   8.5599   45.996   10.533   65.973   14.691   18.155   2.2053   21.656   2.5762 -3.500978 3.391165 
1 1 1   30    6   12 o   25.801   1.1853   90.069   8.2142   88.614   10.550   92.308   13.089   25.479   1.5490   25.904   1.8943 -0.4253330 2.447043 
1 1 1   30    6   13 o   18.151   1.5287   45.117   7.3833   48.893   9.7068   39.933   11.373   18.790   1.9518   16.756   2.6122 2.033945 3.260874 
1 1 1   30    6   14 o   8.5546   2.7281   10.124   7.0678  -2.7300   9.3382   27.361   10.814   6.2441   2.7757   13.681   3.0233 -7.437305 4.104250 
1 1 1   30    6   15 o   34.755   0.9696  163.104   9.0514  155.919   12.512  170.991   13.110   33.889   1.3746   35.488   1.3754 -1.599930 1.944548 
1 1 1   30    6   16 o   29.165   1.1354  115.105   8.8941  119.220   13.322  111.795   11.946   29.501   1.6883   28.605   1.5608 0.8951950 2.299232 
1 1 1   30    6   17 o   34.372   1.1068  159.843   10.218  158.552   14.214  161.222   14.699   34.112   1.5514   34.385   1.5915 -0.2730560 2.222582 
1 1 1   30    6   18 o   15.232   1.8069   32.204   7.2483   27.981   9.7572   37.403   10.828   13.910   2.7091   16.184   2.5774 -2.274042 3.739274 
1 1 1   30    6   19 o   18.277   1.5148   45.809   7.3691   47.293   10.123   44.135   10.748   18.407   2.0841   17.697   2.3170 0.7108688 3.116434 
1 1 1   30    6   20 o   7.5958   2.7210   7.1045   7.0440  -3.2162   9.8465   17.923   10.081   6.3344   2.8306   11.051   3.2076 -4.716775 4.277922 
1 1 1   30    6   21 o   5.0271   2.3103  -4.8437   7.1418 -17.7043   9.9386   8.8872   10.269   4.7950   2.3422   8.7270   3.2594 -3.932013 4.013632 
1 1 1   30    6   22 o   17.693   1.6424   43.130   7.7159   45.015   10.855   41.204   10.970   17.864   2.3168   17.024   2.4714 0.8403339 3.387488 
1 1 1   30    6   23 o   22.364   1.3301   68.181   7.9538   72.484   11.092   63.627   11.411   22.918   1.8169   21.398   2.0090 1.519766 2.708744 
1 1 1   30    6   24 o   35.128   1.0162  166.851   9.5884  161.988   13.355  172.024   13.775   34.494   1.4414   35.547   1.4428 -1.052055 2.039462 
1 1 1   30    6   25 o   21.549   1.4046   63.444   8.0853   55.987   11.475   70.798   11.394   19.998   2.1711   22.617   1.8931 -2.618458 2.880589 
1 1 1   30    6   26 o   29.259   1.1407  115.998   8.9647  113.736   12.516  118.382   12.847   28.798   1.6247   29.379   1.6345 -0.5803699 2.304622 
1 1 1   30    6   27 o   17.628   1.8224   43.137   8.5040   39.038   10.981   49.281   13.442   16.502   2.5604   18.477   2.7959 -1.974663 3.791184 
1 1 1   30    6   28 o   9.0473   2.8288   11.680   7.6329   12.267   10.527   11.029   11.084   9.5264   3.3346   9.3136   3.4024 0.2128448 4.764046 
1 1 1   30    6   29 o   13.468   2.2170   25.891   7.7410   27.523   10.613   24.035   11.316   13.611   2.9851   12.612   3.3018 0.9991827 4.451108 
1 1 1   30    6   30 o   43.363   0.9694  254.549   11.291  247.593   15.482  262.451   16.502   42.606   1.3529   43.841   1.4014 -1.235146 1.947900 
1 1 1   30    6   31 o   10.864   2.7881   17.611   8.1761   24.019   11.932   11.940   11.225   12.482   3.4460   9.4454   3.4281 3.036609 4.860772 
1 1 1   30    6   32 o   34.189   1.0804  158.860   9.9211  156.067   14.042  161.643   14.019   33.675   1.5525   34.288   1.5223 -0.6122894 2.174278 
1 1 1   30    6   33 o   23.539   1.4336   76.402   9.0206   83.145   12.985   70.112   12.541   24.260   2.0108   22.199   2.1294 2.060982 2.928785 
1 1 1   30    6   34 o   35.167   1.2394  169.276   11.707  165.325   17.006  172.835   16.142   34.315   1.8519   35.240   1.7054 -0.9247627 2.517521 
1 1 1   30    6   35 o   23.835   1.5548   79.130   9.8990   87.831   13.800   69.907   14.207   24.765   2.0943   21.816   2.4680 2.948812 3.236882 
1 1 1   30    6   36 f   16.866   2.3735   42.035   10.455   50.069   14.109   32.251   15.569   17.948   3.0350   13.645   3.9934 4.302252 5.015835 
1 1 1   30    6   37 o   28.249   1.4981  111.447   11.326  100.859   15.979  122.138   16.056   26.208   2.2930   29.081   2.0691 -2.873341 3.088545 
1 1 1   30    6   38 o   5.9126   2.7370  -5.2418   10.285   24.690   15.119 -31.0238   14.032   11.729   4.0014   5.0648   2.5282 6.663733 4.733182 
1 1 1   30    7  -31 o   17.806   5.0555   57.110   25.306   57.110   25.306   0.0000   0.0000   17.806   5.0555  ?   ?  0.000000 5.055481 
1 1 1   30    7  -30 o   17.551   5.1087   54.630   25.541   54.630   25.541   0.0000   0.0000   17.551   5.1087  ?   ?  0.000000 5.108745 
1 1 1   30    7  -29 o   7.9571   3.3467   3.4228   12.150  -0.3846   17.249   7.1721   17.117   8.6184   3.8045   9.5649   3.9943 -0.9465075 5.516196 
1 1 1   30    7  -28 o   17.639   2.2883   44.300   10.586   44.044   18.248   44.429   12.996   16.637   4.1081   17.389   2.8835 -0.7520790 5.019073 
1 1 1   30    7  -27 o   35.233   1.3653  169.242   12.920  153.008   21.939  177.862   15.986   32.844   2.5058   35.994   1.6536 -3.149948 3.002233 
1 1 1   30    7  -26 o   10.916   2.9895   17.673   9.0230   9.2621   12.686   26.284   12.836   9.2077   3.5776   13.131   3.5532 -3.923135 5.042262 
1 1 1   30    7  -25 o   32.370   1.2519  142.344   10.884  136.453   15.295  148.388   15.493   31.446   1.8186   32.822   1.7639 -1.376179 2.533510 
1 1 1   30    7  -24 o   15.228   2.3231   32.984   9.2010   34.557   12.906   31.359   13.121   15.229   3.2541   14.424   3.4357 0.8044930 4.732167 
1 1 1   30    7  -23 o   5.4856   2.5041  -4.7058   8.2027  -7.5396   11.653  -1.9227   11.548   6.3750   2.9377   7.0647   3.1161 -0.6897125 4.282523 
1 1 1   30    7  -22 o   11.867   3.0636   20.863   9.8320  -2.4101   17.810   31.064   11.792   8.6788   3.8468   14.489   3.1221 -5.810100 4.954305 
1 1 1   30    7  -21 o   20.523   1.7407   58.119   9.5045   62.995   13.623   53.495   13.267   21.107   2.4485   19.361   2.6185 1.746386 3.584916 
1 1 1   30    7  -20 o   18.507   1.9037   47.586   9.3278   55.967   13.198   39.222   13.185   19.846   2.5337   16.330   3.1199 3.516481 4.019143 
1 1 1   30    7  -19 o   7.4523   3.0927   2.9424   10.171   13.198   12.360 -18.5663   17.900   10.028   3.6031   7.2010   3.4194 2.826773 4.967394 
1 1 1   30    7  -18 o   17.520   2.8890   44.464   13.121   44.464   13.121   0.0000   0.0000   17.520   2.8890  ?   ?  0.000000 2.889018 
1 1 1   30    7  -17 o   14.583   2.2888   30.178   8.6697   34.781   12.568   25.999   11.975   15.355   3.1529   13.182   3.3694 2.172861 4.614469 
1 1 1   30    7  -16 o   28.756   1.2736  112.229   9.8367  119.665   14.064  105.108   13.763   29.494   1.7837   27.604   1.8673 1.890350 2.582353 
1 1 1   30    7  -15 o   32.358   1.1931  141.907   10.369  138.882   14.946  144.714   14.398   31.798   1.7568   32.501   1.6548 -0.7030964 2.413467 
1 1 1   30    7  -14 o   32.021   1.2103  138.981   10.409  120.155   14.627  158.296   14.816   29.537   1.8531   34.050   1.6200 -4.512833 2.461415 
1 1 1   30    7  -13 o   25.920   1.4201   91.624   9.8494   93.431   16.106   90.545   12.448   25.842   2.3460   25.642   1.8193 0.1997204 2.968726 
1 1 1   30    7  -12 o   9.4277   2.2669   12.784   5.6698   9.3057   6.6483   22.062   10.857   8.2216   2.6484   12.210   3.2524 -3.988020 4.194314 
1 1 1   30    7  -11 o   21.280   1.0615   61.226   6.0674   61.601   8.6468   60.863   8.5159   21.216   1.5276   21.092   1.5133 0.1243973 2.150245 
1 1 1   30    7  -10 o   6.1832   2.3284   4.0083   5.2621  -3.8071   7.2972   12.475   7.5952   5.2628   2.3867   9.3510   2.8027 -4.088162 3.681255 
1 1 1   30    7   -9 o   7.8292   2.4055   8.5461   5.5471   5.5455   7.7536   11.692   7.9391   7.3614   2.8135   9.1369   2.8890 -1.775466 4.032626 
1 1 1   30    7   -8 o   26.235   1.0188   92.982   7.1789  101.114   10.726   86.383   9.6619   27.234   1.4719   25.175   1.4348 2.058355 2.055512 
1 1 1   30    7   -7 o   24.698   1.0667   82.440   7.0759   73.343   10.814   89.249   9.3568   23.108   1.7556   25.611   1.3652 -2.503067 2.223879 
1 1 1   30    7   -6 o   9.4262   2.4727   12.780   6.3382   5.7319   9.3420   18.792   8.6278   7.8372   3.0631   11.364   2.8358 -3.526396 4.174294 
1 1 1   30    7   -5 o   41.927   0.8701  237.051   9.7988  242.562   14.924  232.875   12.991   42.301   1.3135   41.488   1.1658 0.8122215 1.756286 
1 1 1   30    7   -4 o   27.061   1.0844   98.970   7.8820  100.217   10.459   97.331   11.992   27.129   1.4405   26.667   1.6828 0.4612694 2.215149 
1 1 1   30    7   -3 o   23.763   1.2100   76.620   7.6975   78.639   10.515   74.289   11.300   23.972   1.6430   23.245   1.8245 0.7262897 2.455197 
1 1 1   30    7   -2 o   16.285   1.5658   36.400   6.7646   33.004   9.6528   39.677   9.4827   15.266   2.4361   16.858   2.1426 -1.592827 3.244300 
1 1 1   30    7   -1 o   39.456   0.9471  210.065   10.037  222.325   14.003  197.110   14.394   40.510   1.2869   38.111   1.4062 2.398560 1.906173 
1 1 1   30    7    0 o   9.8589   2.5369   14.000   6.7566   9.6084   8.8301   20.203   10.495   8.6819   3.0532   11.750   3.2268 -3.068130 4.442299 
1 1 1   30    7    1 o   22.592   1.2210   69.283   7.3817   83.465   10.177   53.536   10.724   24.729   1.5398   19.645   2.0632 5.083881 2.574468 
1 1 1   30    7    2 o   11.996   2.1726   20.377   6.7421   17.954   9.1411   23.267   9.9842   11.108   2.9954   12.627   2.9901 -1.518658 4.232418 
1 1 1   30    7    3 o   8.1699   2.6550   9.0777   6.6710   22.807   9.3464  -5.1804   9.5246   12.531   2.8422   5.9645   2.7133 6.566851 3.929413 
1 1 1   30    7    4 o   16.979   1.5307   39.512   6.9056   47.318   9.5854   31.089   9.9572   18.483   1.9608   14.750   2.6088 3.732591 3.263498 
1 1 1   30    7    5 o   6.6840   2.6370   3.7526   6.9806  -9.0079   10.365   14.345   9.4434   5.7978   2.7054   10.061   3.1465 -4.263161 4.149661 
1 1 1   30    7    6 o   10.996   2.4159   17.371   6.9401   16.471   8.9412   18.735   11.007   10.655   2.9980   11.344   3.3682 -0.6896124 4.509195 
1 1 1   30    7    7 o   21.440   1.2903   62.526   7.3956   69.653   10.283   54.891   10.644   22.528   1.7123   19.896   2.0198 2.631851 2.647948 
1 1 1   30    7    8 o   45.088   0.8456  274.130   10.241  269.978   14.226  278.595   14.754   44.658   1.1861   45.358   1.2111 -0.6994629 1.695122 
1 1 1   30    7    9 o   8.6726   2.6153   10.631   6.5985   0.5508   9.0389   22.132   9.6548   6.6854   2.8523   12.297   2.9590 -5.611681 4.109921 
1 1 1   30    7   10 o   21.784   1.3311   64.624   7.7507   70.179   10.766   58.647   11.167   22.581   1.7897   20.550   2.0507 2.031054 2.721822 
1 1 1   30    7   11 o   27.401   1.0870  101.550   8.0004  123.481   11.133   78.132   11.504   30.152   1.3747   23.822   1.8116 6.330402 2.274142 
1 1 1   30    7   12 o   9.4162   2.9150   12.589   8.1279   6.7737   12.408   16.961   10.757   8.7656   3.4974   10.827   3.3538 -2.060944 4.845616 
1 1 1   30    7   13 o   9.4057   2.7370   12.721   7.3318   10.836   9.6043   15.353   11.351   9.0945   3.1850   10.449   3.4665 -1.354939 4.707524 
1 1 1   30    7   14 o   17.713   1.6953   43.270   7.9669   49.956   10.836   35.402   11.754   18.893   2.1750   15.606   2.9113 3.286713 3.634053 
1 1 1   30    7   15 o   28.142   1.1218  107.221   8.4797  118.229   11.777   95.371   12.219   29.423   1.4952   26.340   1.7369 3.083488 2.291811 
1 1 1   30    7   16 o   26.823   1.2886   97.674   9.2834  125.584   12.924   67.920   13.344   30.289   1.5942   22.008   2.2910 8.281412 2.791086 
1 1 1   30    7   17 o   15.981   1.7576   35.390   7.4194   33.270   10.229   37.744   10.778   15.219   2.5954   16.247   2.5542 -1.028026 3.641418 
1 1 1   30    7   18 o   5.8992   2.5012   0.6670   6.8744  -4.9965   9.4125   7.1413   10.064   5.9174   2.6940   8.2801   3.1950 -2.362696 4.179189 
1 1 1   30    7   19 o   34.760   0.9777  163.313   9.1278  156.502   12.442  171.250   13.432   33.924   1.3655   35.472   1.4098 -1.547867 1.962697 
1 1 1   30    7   20 o   24.785   1.2893   83.646   8.5529   83.110   11.967   84.206   12.229   24.536   1.8290   24.687   1.8579 -0.1513653 2.607128 
1 1 1   30    7   21 o   19.894   1.4748   54.220   7.8242   58.563   10.853   49.520   11.290   20.517   1.9947   18.746   2.2898 1.770542 3.036821 
1 1 1   30    7   22 o   28.524   1.1436  110.247   8.7612  111.118   12.115  109.292   12.685   28.476   1.5903   28.207   1.6820 0.2688637 2.314775 
1 1 1   30    7   23 o   5.8510   2.5306  -0.3671   7.3002  -1.0842   10.247   0.3719   10.403   6.7779   2.9639   7.0617   3.0376 -0.2838101 4.244041 
1 1 1   30    7   24 o   13.717   2.1365   26.642   7.6151   18.658   10.593   35.182   10.955   11.220   3.2970   15.589   2.7151 -4.368716 4.270996 
1 1 1   30    7   25 o   16.232   1.8934   36.768   8.0997   27.265   11.458   46.261   11.452   13.499   3.2075   18.033   2.4259 -4.533745 4.021566 
1 1 1   30    7   26 o   21.605   1.6347   64.320   9.4160   73.117   12.762   53.809   13.950   22.861   2.1019   19.293   2.7716 3.567553 3.478483 
1 1 1   30    7   27 o   5.5712   2.5035  -2.9873   7.8171 -17.9855   11.208   11.217   10.908   5.2003   2.5283   9.2952   3.3784 -4.094868 4.219728 
1 1 1   30    7   28 o   14.979   2.0615   31.757   8.0744   19.737   11.270   44.437   11.574   11.419   3.4120   17.561   2.5267 -6.141422 4.245705 
1 1 1   30    7   29 o   8.0666   2.8747   8.5075   7.8524   18.423   10.829  -2.4875   11.403   11.028   3.3559   6.8574   3.0565 4.170530 4.539221 
1 1 1   30    7   30 o   8.6919   2.8664   10.800   7.7652   2.7771   10.999   18.774   10.965   7.5189   3.1745   11.068   3.3788 -3.549370 4.636144 
1 1 1   30    7   31 o   25.221   1.4072   87.592   9.4945   88.414   14.057   86.903   12.875   24.958   2.1170   24.846   1.9448 0.1117496 2.874692 
1 1 1   30    7   32 o   30.481   1.2404  127.157   10.155  126.856   13.475  127.552   15.452   30.176   1.6690   30.083   1.9223 0.9230995E-01 2.545770 
1 1 1   30    7   33 o   16.651   2.3454   40.610   10.199   23.724   13.206   65.566   16.054   12.019   3.7148   20.756   2.9640 -8.736876 4.752318 
1 1 1   30    7   34 o   8.3166   3.0272   9.6394   8.7624   5.2925   12.374   14.012   12.410   8.0597   3.3830   9.7045   3.5912 -1.644829 4.933678 
1 1 1   30    7   35 o   5.4166   2.5648  -9.0251   9.9327   0.8106   13.605 -20.2526   14.535   7.6000   3.3656   5.8617   2.8564 1.738369 4.414359 
1 1 1   30    7   36 o   10.017   3.5433   16.365   11.909   3.2096   15.631   34.567   18.387   8.2194   3.6253   13.464   4.4093 -5.244473 5.708333 
1 1 1   30    7   37 o   20.972   2.5646   67.265   14.146   71.587   20.166   63.079   19.848   20.216   3.8547   18.677   4.0713 1.538235 5.606627 
1 1 1   30    8  -29 o   17.796   3.8783   51.153   18.014   51.153   18.014   0.0000   0.0000   17.796   3.8783  ?   ?  0.000000 3.878340 
1 1 1   30    8  -28 o   9.2084   3.4897   10.750   11.866   1.1662   17.213   19.428   16.379   8.7194   3.8265   11.395   4.1402 -2.675458 5.637635 
1 1 1   30    8  -27 o   7.1968   3.1571  -0.6490   11.707   5.5158   16.322  -7.1817   16.802   9.1634   3.8679   7.7660   3.5597 1.397389 5.256599 
1 1 1   30    8  -26 o   24.818   1.7319   85.329   11.472   95.142   19.527   80.156   14.177   25.541   2.8977   23.805   2.2437 1.735941 3.664788 
1 1 1   30    8  -25 o   28.935   1.5307  114.970   11.854  127.559   20.409  108.561   14.562   29.904   2.5659   27.921   1.9541 1.982386 3.225212 
1 1 1   30    8  -24 o   23.996   1.5459   79.126   9.9104   63.343   13.704   96.432   14.349   21.085   2.4663   26.284   2.0488 -5.198683 3.206312 
1 1 1   30    8  -23 o   50.289   1.0717  342.643   14.475  349.788   20.654  335.747   20.292   50.586   1.5202   49.557   1.5245 1.028145 2.152893 
1 1 1   30    8  -22 o   19.166   1.8088   50.949   9.2010   45.048   13.359   56.274   12.691   17.566   2.9351   19.911   2.4230 -2.345369 3.805988 
1 1 1   30    8  -21 o   13.845   2.7125   27.926   9.7259   44.608   16.216   18.554   12.155   17.156   3.6324   11.228   3.5773 5.927411 5.098174 
1 1 1   30    8  -20 o   14.789   2.4759   31.374   9.4868   47.869   15.367   21.217   12.059   17.963   3.3070   11.903   3.5234 6.060311 4.832296 
1 1 1   30    8  -19 o   36.921   1.1422  184.771   11.327  194.998   16.424  175.495   15.641   37.754   1.6197   35.814   1.6260 1.940437 2.295067 
1 1 1   30    8  -18 o   13.073   2.5879   24.776   8.7652   9.9195   12.817   37.829   12.014   9.3955   3.6110   16.112   2.8820 -6.716150 4.620092 
1 1 1   30    8  -17 f   33.644   1.3178  153.880   11.909  148.016   15.059  163.668   19.456   32.817   1.7144   34.308   2.1218 -1.491085 2.727851 
1 1 1   30    8  -16 o   57.485   1.2809  448.898   19.778  448.002   22.376  452.100   42.287   57.334   1.4530   56.500   2.7865 0.8337250 3.142635 
1 1 1   30    8  -15 o   27.108   1.6107  100.806   11.675  100.465   14.318  101.483   20.166   26.912   1.9950   26.610   2.8667 0.3020401 3.492611 
1 1 1   30    8  -14 o   31.279   1.2092  132.723   10.159  159.218   14.517  107.298   14.221   34.138   1.5833   27.855   1.9124 6.282402 2.482731 
1 1 1   30    8  -13 o   25.413   1.0038   87.327   6.8518   86.873   8.1922   88.383   12.500   25.308   1.2052   25.295   1.8527 0.1314735E-01 2.210185 
1 1 1   30    8  -12 f   27.937   1.1250  105.715   8.4415   97.360   10.672  119.680   13.797   26.684   1.4951   29.499   1.7492 -2.815516 2.301042 
1 1 1   30    8  -11 o   4.8765   2.1559  -1.4961   5.5592  -5.3605   6.9189   5.5427   9.3378   4.8483   2.2445   7.7515   3.0525 -2.903191 3.788898 
1 1 1   30    8  -10 o   24.193   1.0786   79.208   7.0086   83.839   10.463   75.440   9.4388   24.733   1.5834   23.480   1.5046 1.253191 2.184291 
1 1 1   30    8   -9 o   17.368   1.4270   41.313   6.5980   40.043   9.3372   42.579   9.3247   16.907   2.1016   17.466   2.0253 -0.5590153 2.918646 
1 1 1   30    8   -8 o   23.560   1.1242   75.158   7.1144   66.353   10.605   82.363   9.5935   21.924   1.8173   24.554   1.4613 -2.629719 2.331928 
1 1 1   30    8   -7 o   38.062   0.9308  195.635   9.5155  204.195   15.633  190.597   11.993   38.714   1.5034   37.503   1.1906 1.211208 1.917781 
1 1 1   30    8   -6 o   8.4681   2.6728   10.017   6.7975   12.710   12.984   9.0004   7.9782   10.038   3.6802   8.3272   2.9037 1.710549 4.687783 
1 1 1   30    8   -5 o   16.581   1.7190   37.988   7.5446   28.534   10.860   46.806   10.489   13.952   2.9881   18.280   2.1792 -4.327946 3.698341 
1 1 1   30    8   -4 o   5.3409   2.3586  -1.6651   6.6364  -0.6259   10.178  -2.4338   8.7530   6.8503   2.9754   6.0604   2.6909 0.7899528 4.011762 
1 1 1   30    8   -3 o   20.161   1.2834   55.359   6.9134   59.099   9.8112   51.670   9.7431   20.702   1.7818   19.312   1.9031 1.390648 2.607044 
1 1 1   30    8   -2 o   12.541   2.1352   22.268   6.9344   26.462   10.440   18.956   9.2766   13.437   2.9715   11.364   2.9965 2.073544 4.220032 
1 1 1   30    8   -1 o   8.9328   2.6007   11.413   6.6183   0.3022   9.2610   23.011   9.4617   6.7052   2.8746   12.544   2.8704 -5.838997 4.062328 
1 1 1   30    8    0 o   16.369   1.6184   36.902   7.0220   41.118   9.5506   31.940   10.360   17.143   2.1193   14.893   2.6889 2.250419 3.423678 
1 1 1   30    8    1 o   17.211   1.5972   40.734   7.2990   31.988   9.8397   51.433   10.884   14.955   2.5405   19.189   2.1485 -4.234286 3.327210 
1 1 1   30    8    2 o   13.612   2.0550   26.054   7.2794   31.956   9.4995   17.659   11.330   14.979   2.4456   11.035   3.4458 3.943885 4.225485 
1 1 1   30    8    3 o   19.134   1.4320   50.059   7.3056   50.063   10.011   50.053   10.686   18.978   1.9937   18.928   2.1394 0.4976463E-01 2.924353 
1 1 1   30    8    4 o   16.890   1.7210   39.401   7.6985   25.879   10.909   52.819   10.866   13.240   3.1189   19.457   2.1132 -6.217625 3.767368 
1 1 1   30    8    5 o   6.5005   2.6284   2.9111   7.1090   0.2276   9.1825   6.9258   11.231   6.6616   2.8593   8.5190   3.3500 -1.857419 4.404347 
1 1 1   30    8    6 o   32.561   0.9764  143.249   8.5391  144.555   11.794  141.810   12.380   32.621   1.3460   32.287   1.4276 0.3341408 1.962076 
1 1 1   30    8    7 o   32.147   0.9915  139.659   8.5610  146.174   12.010  132.929   12.206   32.797   1.3634   31.250   1.4542 1.546581 1.993426 
1 1 1   30    8    8 o   13.676   1.9545   26.217   6.9752   24.008   9.5616   28.729   10.198   12.808   2.8526   14.055   2.7997 -1.247361 3.996993 
1 1 1   30    8    9 o   27.696   1.2640  104.094   9.4028   95.093   13.237  113.262   13.359   26.241   1.8907   28.708   1.7408 -2.466581 2.570052 
1 1 1   30    8   10 o   17.663   1.5554   42.883   7.3039   40.900   10.026   45.125   10.662   17.037   2.2457   17.900   2.2685 -0.8631897 3.192047 
1 1 1   30    8   11 o   6.6369   2.6883   3.0465   7.4506  -2.5175   11.392   7.2057   9.8492   6.9408   3.0764   8.2451   3.1663 -1.304304 4.414719 
1 1 1   30    8   12 f   17.864   1.5521   43.866   7.3731   48.527   10.026   38.377   10.880   18.648   2.0348   16.376   2.5572 2.271385 3.267956 
1 1 1   30    8   13 o   13.486   2.0322   25.623   7.1328   43.783   10.000   6.8180   10.177   17.660   2.1529   8.2294   3.2024 9.430501 3.858779 
1 1 1   30    8   14 o   28.659   1.0806  111.193   8.3178  106.715   11.419  116.255   12.140   27.925   1.5283   29.139   1.5568 -1.214716 2.181572 
1 1 1   30    8   15 o   19.587   1.6568   52.861   8.6344   40.776   11.604   67.854   12.925   16.843   2.6528   22.004   2.2171 -5.161354 3.457271 
1 1 1   30    8   16 o   5.7475   2.5385  -1.7569   7.6886  -9.4158   10.099   8.8031   11.858   5.6205   2.6380   8.9955   3.4690 -3.374979 4.358133 
1 1 1   30    8   17 f   18.739   1.6172   48.364   8.0599   41.643   11.476   54.907   11.323   17.045   2.5879   19.788   2.1657 -2.743217 3.374558 
1 1 1   30    8   18 o   9.9614   2.7071   14.488   7.4320   7.5666   10.269   22.102   10.770   8.4019   3.2314   12.165   3.2388 -3.763284 4.575133 
1 1 1   30    8   19 o   24.191   1.3515   79.849   8.7459   78.934   12.240   80.803   12.501   23.859   1.9265   24.134   1.9450 -0.2752686 2.737578 
1 1 1   30    8   20 o   24.387   1.3154   81.087   8.5843   65.563   12.028   97.204   12.255   21.666   2.0929   26.568   1.7268 -4.902258 2.713326 
1 1 1   30    8   21 o   6.0692   2.6128  -0.0105   7.7095  -5.0350   10.911   4.9986   10.895   6.4245   2.9154   8.0148   3.2492 -1.590263 4.365456 
1 1 1   30    8   22 o   7.0393   2.7816   4.4037   7.7787   2.7816   11.130   5.9523   10.875   7.6651   3.2125   8.1878   3.2719 -0.5227032 4.585328 
1 1 1   30    8   23 o   14.187   2.1933   28.610   8.0880   23.418   11.399   33.873   11.477   12.456   3.3392   15.175   2.9220 -2.718920 4.437126 
1 1 1   30    8   24 o   15.173   2.2299   32.746   8.8164   19.026   13.601   42.690   11.578   11.357   3.7956   17.213   2.5843 -5.855798 4.591796 
1 1 1   30    8   25 o   6.7680   2.7940   2.6977   8.2380  -4.7220   10.867   12.722   12.632   6.4164   2.9109   9.8526   3.6273 -3.436265 4.650833 
1 1 1   30    8   26 o   20.633   1.5108   58.642   8.3147   54.293   11.483   63.436   12.055   19.566   2.2247   21.203   2.1463 -1.636982 3.091287 
1 1 1   30    8   27 o   7.5394   2.8170   6.7378   7.6729  -2.1639   10.618   16.468   11.101   6.6505   2.9578   10.508   3.4253 -3.857380 4.525658 
1 1 1   30    8   28 o   15.981   2.0721   36.355   8.6846   42.381   11.337   27.795   13.511   17.039   2.5561   13.235   3.6718 3.803668 4.473893 
1 1 1   30    8   29 o   22.677   1.6254   71.488   9.8343   80.553   13.753   62.004   14.068   23.767   2.1787   20.575   2.6039 3.191828 3.395190 
1 1 1   30    8   30 o   7.6728   2.9198   7.0611   8.3279   5.7604   12.140   8.2171   11.445   8.2011   3.3891   8.5207   3.3719 -0.3195791 4.780742 
1 1 1   30    8   31 o   8.1723   3.1281   8.3438   9.5933   19.727   14.065  -1.5593   13.119   11.084   3.8559   7.2942   3.2628 3.789942 5.051101 
1 1 1   30    8   32 o   8.7326   3.2560   10.600   10.240   10.701   13.954   10.481   15.073   9.2302   3.6998   9.3397   3.8085 -0.1095600 5.309772 
1 1 1   30    8   33 o   33.553   1.2510  155.062   11.274  156.647   16.750  153.750   15.245   33.154   1.8888   33.002   1.7258 0.1519966 2.558532 
1 1 1   30    8   34 o   17.549   2.2736   45.692   10.465   42.307   15.989   48.229   13.841   15.560   3.8475   17.398   3.0744 -1.837382 4.924936 
1 1 1   30    8   35 o   10.033   3.5234   16.843   11.758   0.8487   20.259   24.967   14.438   8.5969   3.9287   11.736   3.9103 -3.139204 5.543038 
1 1 1   30    8   36 o   27.279   2.0981  109.739   15.255   91.503   21.326  128.847   21.830   23.127   3.5463   28.470   2.8950 -5.343248 4.577952 
1 1 1   30    9  -28 o   7.9220   3.5500  -1.4769   15.604  -1.4769   15.604   0.0000   0.0000   7.9220   3.5500  ?   ?  0.000000 3.550013 
1 1 1   30    9  -27 o   41.644   2.1738  246.627   24.230  246.627   24.230   0.0000   0.0000   41.644   2.1738  ?   ?  0.000000 2.173778 
1 1 1   30    9  -26 o   16.303   3.3262   41.074   14.072   31.438   17.678   57.740   23.249   13.736   4.3066   18.290   4.7054 -4.554600 6.378704 
1 1 1   30    9  -25 o   19.183   2.1467   52.281   10.871   58.723   19.171   49.229   13.198   19.289   3.8355   18.284   2.7745 1.004505 4.733854 
1 1 1   30    9  -24 o   27.782   1.5561  106.353   11.564  100.503   19.333  109.612   14.431   26.291   2.7800   28.017   1.9295 -1.725796 3.383955 
1 1 1   30    9  -23 o   16.929   2.4376   41.223   10.764   60.446   17.389   29.282   13.706   20.037   3.3493   13.713   3.6548 6.323747 4.957383 
1 1 1   30    9  -22 f   30.992   1.4432  131.292   12.014  138.384   20.184  127.401   14.951   31.244   2.4241   30.311   1.8452 0.9339466 3.046495 
1 1 1   30    9  -21 o   12.476   2.7355   22.940   8.9138   27.905   13.242   18.827   12.053   13.473   3.5934   11.230   3.5607 2.242703 5.058742 
1 1 1   30    9  -20 o   13.862   2.8185   28.266   10.136   18.662   16.617   33.958   12.791   11.517   4.1723   15.034   3.2615 -3.516824 5.295789 
1 1 1   30    9  -19 o   14.195   2.5891   29.215   9.5079   16.313   15.485   37.022   12.046   10.977   4.0199   15.876   2.9330 -4.898500 4.976182 
1 1 1   30    9  -18 o   23.731   1.5171   77.247   9.6195   77.970   14.648   76.698   12.756   23.505   2.3517   23.448   2.0459 0.5704880E-01 3.117059 
1 1 1   30    9  -17 o   11.618   2.7504   19.854   8.4496   27.618   12.640   13.581   11.361   13.497   3.4681   9.9466   3.4652 3.550185 4.902590 
1 1 1   30    9  -16 o   5.4514   2.5022  -5.2786   8.3407   0.4623   11.624 -11.3709   11.975   7.4260   3.2026   6.0591   2.8529 1.366944 4.289013 
1 1 1   30    9  -15 o   32.133   1.3886  140.642   11.984  142.641   14.955  137.055   20.035   32.190   1.7362   31.202   2.4092 0.9876785 2.969618 
1 1 1   30    9  -14 o   14.143   2.4057   28.682   8.8109   28.080   12.640   29.250   12.288   13.621   3.4511   13.945   3.3272 -0.3245134 4.793743 
1 1 1   30    9  -13 o   22.114   1.1772   66.528   6.9673   72.708   8.1004   48.959   13.659   23.086   1.3118   18.370   2.8614 4.716127 3.147748 
1 1 1   30    9  -12 o   15.676   1.4366   33.766   5.9812   34.959   7.4726   31.638   9.9778   15.857   1.7855   14.798   2.6056 1.059485 3.158665 
1 1 1   30    9  -11 f   45.470   0.9201  279.374   11.237  268.802   13.379  304.690   20.703   44.537   1.1184   47.176   1.6339 -2.639309 1.980047 
1 1 1   30    9  -10 o   5.0698   2.2199  -0.9960   5.7649  -5.3979   7.6661   4.7332   8.7457   5.1607   2.3798   7.3961   2.9409 -2.235452 3.783163 
1 1 1   30    9   -9 o   21.210   1.2104   61.242   6.8668   74.862   9.3543   45.325   10.112   23.377   1.4977   17.965   2.1376 5.412098 2.610110 
1 1 1   30    9   -8 o   41.559   0.8264  233.082   9.2246  248.231   13.097  218.169   12.995   42.795   1.1395   40.097   1.2066 2.697277 1.659579 
1 1 1   30    9   -7 o   54.502   0.8039  400.761   11.769  402.893   16.680  398.647   16.607   54.522   1.1390   54.233   1.1400 0.2885094 1.611554 
1 1 1   30    9   -6 o   19.264   1.3656   50.738   7.0202   54.616   10.490   47.592   9.4474   19.796   2.0004   18.490   1.9308 1.305593 2.780199 
1 1 1   30    9   -5 o   15.044   2.0602   31.825   8.1058   28.031   10.888   36.541   12.140   13.772   3.0261   15.795   2.9706 -2.022796 4.240538 
1 1 1   30    9   -4 o   4.2618   2.0366  -8.5075   6.5585 -14.7613   9.7999  -3.4344   8.8266   4.9807   2.4079   5.9153   2.6590 -0.9346046 3.587177 
1 1 1   30    9   -3 o   32.464   1.1086  142.748   9.6667  137.206   16.903  145.442   11.784   31.464   2.0107   32.704   1.3415 -1.240299 2.417105 
1 1 1   30    9   -2 o   34.639   1.0359  162.342   9.6380  147.399   14.101  175.443   13.203   32.838   1.5988   35.910   1.3689 -3.071983 2.104743 
1 1 1   30    9   -1 o   24.420   1.2372   81.137   8.0881   92.967   12.126   71.657   10.856   25.981   1.7479   22.781   1.7885 3.199413 2.500755 
1 1 1   30    9    0 o   6.0646   2.5277   1.5097   6.8363  -0.9347   10.046   3.6183   9.3300   6.7356   2.9403   7.3335   2.9941 -0.5979209 4.196432 
1 1 1   30    9    1 o   23.456   1.3131   74.998   8.2395   87.188   12.394   65.344   11.030   25.119   1.8501   21.706   1.9114 3.412706 2.660089 
1 1 1   30    9    2 o   29.880   1.1099  120.934   8.9079  114.683   12.182  128.117   13.059   28.933   1.5735   30.577   1.5956 -1.643818 2.240948 
1 1 1   30    9    3 o   25.127   1.3339   86.077   8.9701   88.105   12.951   84.208   12.436   25.221   1.9264   24.667   1.8914 0.5535183 2.699719 
1 1 1   30    9    4 o   29.393   1.1780  117.156   9.3002  127.695   12.072  101.766   14.587   30.605   1.4685   27.074   2.0205 3.531078 2.497819 
1 1 1   30    9    5 o   13.910   2.0315   27.246   7.3661   35.991   10.115   17.372   10.748   15.877   2.4509   10.883   3.3493 4.994395 4.150255 
1 1 1   30    9    6 o   25.688   1.3681   90.039   9.4052   95.192   13.097   84.552   13.514   26.239   1.8707   24.646   2.0604 1.593176 2.782938 
1 1 1   30    9    7 o   27.319   1.1884  101.236   8.7204  105.714   12.859   97.423   11.865   27.710   1.7366   26.623   1.6678 1.087355 2.407716 
1 1 1   30    9    8 o   33.194   1.1533  149.383   10.283  155.172   15.880  145.204   13.493   33.575   1.7672   32.606   1.5407 0.9691582 2.344514 
1 1 1   30    9    9 o   21.742   1.3947   64.623   8.1017   64.676   10.984   64.560   11.998   21.584   1.9145   21.493   2.1054 0.9183693E-01 2.845719 
1 1 1   30    9   10 o   23.801   1.3015   77.232   8.2885   90.450   11.622   63.547   11.825   25.633   1.6976   21.325   2.0913 4.307909 2.693582 
1 1 1   30    9   11 f   29.682   1.1055  119.371   8.8136  115.259   12.519  123.412   12.411   28.980   1.6147   30.017   1.5446 -1.037445 2.234513 
1 1 1   30    9   12 o   11.076   2.5726   17.908   7.5066   26.257   10.406   8.8503   10.839   13.321   2.9826   8.7913   3.3345 4.530039 4.473763 
1 1 1   30    9   13 o   31.770   1.0845  136.723   9.2546  138.353   13.256  135.173   12.926   31.816   1.5512   31.456   1.5300 0.3603191 2.178735 
1 1 1   30    9   14 o   23.994   1.5444   78.988   9.9003   79.023   14.087   78.954   13.916   23.729   2.2367   23.732   2.2086 -0.2300262E-02 3.143381 
1 1 1   30    9   15 o   8.6869   2.8497   10.491   7.6789   20.687   11.219   1.5035   10.533   11.753   3.3758   7.2774   3.0913 4.475247 4.577337 
1 1 1   30    9   16 o   44.548   0.9370  268.254   11.211  274.330   16.010  262.409   15.704   44.904   1.3275   43.916   1.3314 0.9881363 1.880090 
1 1 1   30    9   17 o   20.404   1.5217   57.174   8.2791   49.799   11.841   64.226   11.580   18.721   2.4109   21.452   2.0341 -2.731514 3.154383 
1 1 1   30    9   18 o   13.469   2.5969   26.351   9.0541   27.911   14.076   25.250   11.825   13.483   3.7504   12.928   3.3707 0.5543852 5.042550 
1 1 1   30    9   19 o   35.250   1.1105  168.463   10.514  169.490   13.747  167.014   16.320   35.239   1.4524   34.814   1.7509 0.4253731 2.274896 
1 1 1   30    9   20 o   9.4206   2.9446   12.798   8.2713   13.385   10.626   11.896   13.176   9.7910   3.3545   9.7952   3.6853 -0.4211426E-02 4.983333 
1 1 1   30    9   21 o   19.158   1.6737   50.781   8.5263   35.227   11.441   70.213   12.788   15.484   2.8561   22.351   2.1569 -6.866812 3.579071 
1 1 1   30    9   22 f   8.0178   2.8707   8.2451   7.8392   8.8265   10.898   7.6218   11.285   8.7382   3.3365   8.5630   3.3609 0.1752043 4.735839 
1 1 1   30    9   23 o   10.266   3.0603   15.681   9.0738   19.926   12.481   10.921   13.215   11.457   3.6223   9.5415   3.6668 1.915889 5.154246 
1 1 1   30    9   24 o   5.3260   2.4706  -6.2397   8.4462 -14.3385   10.060   13.108   15.549   5.0726   2.4492   10.245   3.9663 -5.172868 4.661607 
1 1 1   30    9   25 o   5.8171   2.5768  -1.6415   7.9798   1.9416   11.557  -4.9060   11.031   7.5316   3.2196   6.3975   2.9141 1.134027 4.342525 
1 1 1   30    9   26 o   5.2732   2.4450  -5.8835   8.2573 -15.1199   11.834   2.8793   11.527   5.5833   2.6858   7.6420   3.2394 -2.058651 4.208009 
1 1 1   30    9   27 o   7.8676   3.0250   7.2287   8.9963   21.423   11.973 -11.1788   13.634   11.628   3.5265   6.4542   3.0405 5.173689 4.656295 
1 1 1   30    9   28 o   14.574   2.4399   31.360   9.2135   33.975   12.601   28.356   13.506   14.689   3.2772   13.168   3.6775 1.521138 4.925817 
1 1 1   30    9   29 o   12.668   2.8213   24.707   9.3530   23.259   13.356   26.101   13.102   11.860   3.7468   12.565   3.6596 -0.7049894 5.237422 
1 1 1   30    9   30 o   21.555   1.5123   64.867   8.7003   62.696   12.688   66.794   11.953   20.668   2.3260   21.507   2.0958 -0.8389206 3.130912 
1 1 1   30    9   31 o   11.708   3.2961   22.514   10.804   35.256   16.183   12.267   14.513   14.069   4.0583   9.4562   3.7793 4.612654 5.545503 
1 1 1   30    9   32 o   23.216   1.6892   76.453   10.461   83.283   15.049   70.067   14.552   23.612   2.4065   21.494   2.5718 2.118305 3.522145 
1 1 1   30    9   33 o   8.2434   3.2963   8.7972   11.047   34.649   20.040  -2.4857   13.239   13.059   4.5990   6.9808   3.1846 6.078417 5.593962 
1 1 1   30    9   34 o   8.3094   3.4942   7.9103   13.240  -4.1868   18.829   19.744   18.623   7.8184   3.6476   10.502   4.2513 -2.683180 5.601654 
1 1 1   30   10  -27 o   27.485   3.9699  125.900   28.457  125.900   28.457   0.0000   0.0000   27.485   3.9699  ?   ?  0.000000 3.969906 
1 1 1   30   10  -26 o   10.217   4.0871   14.001   16.989   14.001   16.989   0.0000   0.0000   10.217   4.0871  ?   ?  0.000000 4.087095 
1 1 1   30   10  -25 f   15.178   4.2046   39.298   17.730   39.298   17.730   0.0000   0.0000   15.178   4.2046  ?   ?  0.000000 4.204600 
1 1 1   30   10  -24 o   8.7077   3.4605   8.3814   12.103  -5.7801   16.177   26.385   18.240   7.6490   3.5012   12.631   4.3912 -4.982238 5.616162 
1 1 1   30   10  -23 o   17.298   2.4343   43.449   10.997   54.201   18.641   37.708   13.620   18.381   3.8968   15.594   3.3517 2.786718 5.139893 
1 1 1   30   10  -22 o   31.302   1.4755  134.531   12.406  104.898   20.815  150.854   15.449   26.657   2.9571   32.958   1.7515 -6.300753 3.436848 
1 1 1   30   10  -21 o   13.634   2.7538   27.583   9.7373   44.093   16.702   19.083   11.985   16.720   3.8048   11.192   3.5507 5.527741 5.204236 
1 1 1   30   10  -20 o   7.5804   3.0326   5.1462   9.3543  -0.7879   15.939   8.2641   11.553   8.2855   3.6574   8.7130   3.4061 -0.4274597 4.997810 
1 1 1   30   10  -19 o   23.859   1.5280   78.329   9.7404   59.941   14.047   95.360   13.519   20.376   2.6279   26.150   1.9385 -5.774630 3.265498 
1 1 1   30   10  -18 o   27.755   1.5102  105.769   11.216   97.822   18.275  110.571   14.206   26.111   2.6422   28.210   1.8858 -2.099550 3.246102 
1 1 1   30   10  -17 f   17.564   2.0857   43.457   9.6474   23.153   16.210   54.593   12.005   12.341   4.1435   19.608   2.3247 -7.267238 4.751100 
1 1 1   30   10  -16 o   27.993   1.3458  106.781   10.119   97.716   14.795  114.747   13.869   26.430   2.1015   28.801   1.8019 -2.371353 2.768268 
1 1 1   30   10  -15 o   11.100   2.8973   18.290   8.7305   22.623   12.491   14.151   12.207   12.200   3.5789   10.145   3.5876 2.054975 5.067458 
1 1 1   30   10  -14 o   20.769   1.2140   58.792   6.7425   63.620   7.4041   35.342   16.318   21.589   1.2826   15.035   3.9789 6.554597 4.180502 
1 1 1   30   10  -13 o   23.857   1.2916   77.649   8.2456   79.388   10.214   74.396   13.972   24.028   1.5917   22.970   2.2955 1.058197 2.793296 
1 1 1   30   10  -12 o   18.117   1.2359   44.802   5.9780   40.403   7.9591   50.496   9.0549   17.057   1.7627   19.079   1.7879 -2.021873 2.510743 
1 1 1   30   10  -11 f   38.570   0.8923  201.016   9.2440  191.330   13.598  209.339   12.605   37.482   1.3507   39.266   1.1952 -1.783642 1.803540 
1 1 1   30   10  -10 o   5.7827   2.3850   1.7344   5.9958   3.9570   8.0251  -1.0738   9.0208   7.0006   2.8059   6.3447   2.7776 0.6559143 3.948185 
1 1 1   30   10   -9 o   17.174   1.4329   40.503   6.5495   33.290   8.9326   48.889   9.6316   15.310   2.2384   18.717   1.9442 -3.407480 2.964866 
1 1 1   30   10   -8 o   27.996   1.0343  106.126   7.7779  104.453   10.363  108.285   11.770   27.647   1.4001   28.091   1.5663 -0.4434071 2.100811 
1 1 1   30   10   -7 o   46.176   0.9681  288.408   12.007  287.025   16.237  290.076   17.835   45.926   1.3163   46.110   1.4401 -0.1839027 1.951041 
1 1 1   30   10   -6 o   42.495   1.0005  244.376   11.419  241.791   13.555  250.698   21.196   42.201   1.1958   42.651   1.8503 -0.4497414 2.203062 
1 1 1   30   10   -5 o   9.4514   2.6060   13.022   6.8291   13.308   9.0808   12.650   10.361   9.6409   3.0942   9.5932   3.3110 0.4775906E-01 4.531745 
1 1 1   30   10   -4 o   16.116   1.9503   36.359   8.2701   27.246   12.782   42.922   10.846   13.384   3.5117   17.364   2.3889 -3.980362 4.247238 
1 1 1   30   10   -3 o   13.600   2.0351   26.125   7.2052   22.325   10.821   29.152   9.6576   12.194   3.2464   14.168   2.6348 -1.974516 4.181007 
1 1 1   30   10   -2 o   13.619   2.0623   26.227   7.3074   33.779   11.052   20.361   9.7404   15.208   2.8091   11.690   3.0648 3.518079 4.157400 
1 1 1   30   10   -1 o   6.2190   2.6287   1.0565   7.5562   2.7280   10.738  -0.5833   10.635   7.5429   3.1579   6.9603   3.0323 0.5826087 4.378021 
1 1 1   30   10    0 o   18.595   1.4961   47.509   7.4087   51.206   10.827   44.254   10.159   19.088   2.1493   17.718   2.1809 1.369995 3.061992 
1 1 1   30   10    1 o   14.868   1.8177   30.845   7.1079   28.379   9.9597   33.405   10.147   13.929   2.7597   15.215   2.5749 -1.285428 3.774362 
1 1 1   30   10    2 o   24.719   1.2774   83.289   8.4525   71.045   12.725   92.956   11.307   22.527   2.1284   26.001   1.6273 -3.474566 2.679166 
1 1 1   30   10    3 o   21.720   1.5867   64.892   9.1924   74.556   11.976   51.035   14.341   23.157   1.9435   18.702   2.9530 4.455488 3.535172 
1 1 1   30   10    4 o   8.1763   2.7840   8.9945   7.3189   10.122   9.4681   7.3199   11.537   8.8311   3.1556   8.6027   3.3913 0.2284708 4.632353 
1 1 1   30   10    5 o   17.961   1.7365   44.703   8.2727   44.260   12.217   45.079   11.242   17.512   2.6830   17.790   2.4152 -0.2779484 3.609993 
1 1 1   30   10    6 o   12.640   2.4022   23.053   7.8573   24.668   10.754   21.204   11.508   12.838   3.1439   11.870   3.4217 0.9675827 4.646741 
1 1 1   30   10    7 o   6.2022   2.6027   1.3925   7.3214   9.3901   9.5416 -10.0582   11.417   8.6577   3.1578   6.0003   2.8126 2.657425 4.228766 
1 1 1   30   10    8 o   25.409   1.2288   87.710   8.3864   88.617   11.405   86.641   12.374   25.361   1.6839   25.007   1.8555 0.3531265 2.505719 
1 1 1   30   10    9 o   6.4306   2.6076   2.8780   7.0186  -5.5453   9.3774   13.607   10.583   5.8077   2.6611   9.8550   3.3478 -4.047279 4.276600 
1 1 1   30   10   10 o   10.722   2.6039   16.850   7.4237   16.630   10.001   17.120   11.079   10.619   3.2237   10.791   3.4129 -0.1718750 4.694681 
1 1 1   30   10   11 f   22.668   1.3166   70.156   7.9818   75.365   10.922   64.186   11.693   23.352   1.7541   21.426   2.0572 1.926605 2.703537 
1 1 1   30   10   12 o   9.0809   2.7836   11.861   7.4325   13.294   10.041   10.123   11.054   9.7175   3.2612   9.0902   3.3842 0.6273108 4.699816 
1 1 1   30   10   13 o   7.0627   2.7922   4.4610   7.8419   9.0020   9.8553  -3.3764   12.947   8.6160   3.1979   7.2557   3.2438 1.360302 4.555068 
1 1 1   30   10   14 o   32.998   1.0465  147.491   9.2752  159.883   12.968  134.513   13.271   34.237   1.4102   31.303   1.5836 2.934025 2.120528 
1 1 1   30   10   15 o   7.8641   2.8438   7.7137   7.7145   6.6650   10.568   8.9099   11.287   8.2392   3.2465   8.8578   3.3923 -0.6185217 4.695531 
1 1 1   30   10   16 o   18.365   1.8354   46.953   8.9321   53.855   11.746   37.487   13.755   19.500   2.2859   15.758   3.3529 3.742409 4.057974 
1 1 1   30   10   17 f   9.2695   2.9181   12.384   8.1073   13.562   10.262   10.427   13.224   9.7806   3.2968   9.4907   3.6624 0.2898560 4.927682 
1 1 1   30   10   18 o   12.190   2.6084   21.817   8.2819   20.492   10.700   23.799   13.081   11.639   3.2813   12.437   3.6664 -0.7982140 4.920241 
1 1 1   30   10   19 o   17.375   1.9177   42.318   8.8004   34.064   11.465   54.155   13.730   15.154   2.9227   19.305   2.7236 -4.151037 3.995052 
1 1 1   30   10   20 o   5.2846   2.4198  -4.5215   7.7367   1.1702   10.355 -11.7127   11.640   7.1053   3.0428   5.8686   2.7782 1.236706 4.120290 
1 1 1   30   10   21 o   8.4680   3.0913   9.2315   9.1472   18.367   12.459  -1.4519   13.473   11.031   3.6304   7.5693   3.3508 3.461672 4.940425 
1 1 1   30   10   22 o   31.817   1.2887  138.269   11.013  142.203   15.237  133.967   15.935   31.978   1.7811   30.946   1.9267 1.032293 2.623806 
1 1 1   30   10   23 o   11.332   2.8875   19.495   8.8135   18.029   11.496   21.586   13.728   10.839   3.4816   11.713   3.8087 -0.8745089 5.160237 
1 1 1   30   10   24 o   7.1653   2.8813   4.6303   8.4920   7.7961   12.456   1.8811   11.608   8.6632   3.4875   7.4707   3.2110 1.192505 4.740564 
1 1 1   30   10   25 f   14.066   2.5377   29.412   9.2347   21.142   13.638   36.414   12.549   11.473   3.7995   15.319   3.1551 -3.846063 4.938668 
1 1 1   30   10   26 o   19.805   1.7695   55.316   9.3138   60.754   13.436   50.286   12.923   20.290   2.5197   18.313   2.7091 1.976854 3.699702 
1 1 1   30   10   27 o   13.146   2.5500   26.086   8.6791   44.031   13.002   11.665   11.656   16.871   2.9782   9.1417   3.4601 7.729489 4.565322 
1 1 1   30   10   28 o   20.385   1.6455   58.550   8.9327   50.975   13.154   65.033   12.169   18.265   2.7681   21.134   2.1748 -2.869463 3.520248 
1 1 1   30   10   29 o   13.547   2.5016   27.910   8.7674   16.373   13.759   35.798   11.376   10.117   3.7738   15.092   2.9120 -4.975146 4.766704 
1 1 1   30   10   30 o   11.848   3.0480   22.878   9.7550   25.199   13.880   20.612   13.713   11.907   3.8259   10.894   3.8063 1.012511 5.396771 
1 1 1   30   10   31 o   10.883   3.6788   20.866   12.778   42.650   21.638   9.2014   15.834   14.180   4.7872   8.8958   3.7848 5.284243 6.102632 
1 1 1   30   10   32 o   10.838   4.0224   21.911   15.592   0.0000   0.0000   21.911   15.592  ?   ?    10.838   4.0224 0.000000 4.022357 
1 1 1   30   11  -25 o   11.023   4.1027   20.097   16.244   20.097   16.244   0.0000   0.0000   11.023   4.1027  ?   ?  0.000000 4.102749 
1 1 1   30   11  -24 o   25.083   2.9539   96.154   19.519   96.154   19.519   0.0000   0.0000   25.083   2.9539  ?   ?  0.000000 2.953873 
1 1 1   30   11  -23 o   10.982   4.1126   18.831   16.371   18.831   16.371   0.0000   0.0000   10.982   4.1126  ?   ?  0.000000 4.112583 
1 1 1   30   11  -22 o   25.148   2.1115   90.328   14.130   82.657   18.887  100.081   21.296   23.283   3.0970   25.575   3.1680 -2.291920 4.430282 
1 1 1   30   11  -21 o   30.255   1.8573  128.460   15.020  139.646   20.472  115.419   22.104   31.042   2.4760   27.723   3.0171 3.318176 3.903060 
1 1 1   30   11  -20 o   19.246   2.0147   52.505   10.260   37.436   17.167   60.880   12.797   15.020   4.1278   20.544   2.3622 -5.524326 4.755904 
1 1 1   30   11  -19 o   9.1284   3.2073   11.677   9.7426   7.3171   15.842   14.330   12.355   9.2648   3.8535   10.029   3.6026 -0.7643747 5.275242 
1 1 1   30   11  -18 o   16.471   2.3256   39.054   10.002   40.529   16.762   38.238   12.464   15.878   3.9474   15.947   3.0204 -0.6959152E-01 4.970416 
1 1 1   30   11  -17 o   11.131   3.3504   18.889   10.837   3.0270   25.726   22.311   11.949   10.462   4.6309   12.007   3.4941 -1.544894 5.801203 
1 1 1   30   11  -16 o   8.1818   3.2045   7.0287   10.241 -17.3400   21.135   14.506   11.707   7.9317   3.7515   10.087   3.5174 -2.155697 5.142551 
1 1 1   30   11  -15 o   25.475   1.4265   89.032   9.7213   73.032   13.684  105.335   13.813   22.692   2.2758   27.507   1.8809 -4.815292 2.952423 
1 1 1   30   11  -14 o   22.695   1.1499   70.159   6.9866   69.855   8.2449   70.934   13.157   22.581   1.3658   22.404   2.2155 0.1771793 2.602720 
1 1 1   30   11  -13 o   11.390   2.2325   18.734   6.5858   15.923   7.3737   29.819   14.643   10.384   2.6384   13.804   3.8199 -3.419444 4.642487 
1 1 1   30   11  -12 o   22.161   1.4132   67.336   8.3681   66.623   10.571   68.534   13.696   21.899   1.8135   21.967   2.3582 -0.6795120E-01 2.974861 
1 1 1   30   11  -11 o   7.8055   2.5342   8.4665   6.0784  -2.9492   7.8566   25.487   9.5934   5.5879   2.5105   13.130   2.8054 -7.542312 3.764661 
1 1 1   30   11  -10 o   10.158   2.3989   15.061   6.4404   8.6655   8.3264   24.585   10.161   8.2289   2.9572   12.825   3.0027 -4.596581 4.214466 
1 1 1   30   11   -9 o   14.335   1.7114   28.630   6.4591   35.415   8.7355   20.447   9.5938   15.829   2.1071   11.688   3.0306 4.140216 3.691109 
1 1 1   30   11   -8 o   20.694   1.3541   58.612   7.4849   65.473   10.956   52.607   10.250   21.686   1.9001   19.385   1.9972 2.300640 2.756665 
1 1 1   30   11   -7 o   12.523   1.9576   22.182   6.3689   22.331   8.8407   22.021   9.1830   12.306   2.7446   12.184   2.8559 0.1223955 3.960920 
1 1 1   30   11   -6 o   16.242   1.5625   36.442   6.7323   47.747   9.7163   26.003   9.3369   18.465   1.9906   13.317   2.7027 5.147417 3.356670 
1 1 1   30   11   -5 o   32.003   1.0169  138.693   8.7405  140.782   12.985  136.962   11.819   32.084   1.5068   31.689   1.3886 0.3950310 2.049102 
1 1 1   30   11   -4 o   22.397   1.2408   68.405   7.4353   75.101   10.536   61.762   10.494   23.321   1.6936   21.072   1.8737 2.249706 2.525692 
1 1 1   30   11   -3 o   12.117   2.5572   21.444   8.0607   29.455   12.122   15.093   10.793   13.963   3.2867   10.231   3.3795 3.732247 4.714190 
1 1 1   30   11   -2 o   28.486   1.1349  110.106   8.6833  110.041   12.583  110.165   11.998   28.265   1.6648   28.314   1.5840 -0.4961395E-01 2.297971 
1 1 1   30   11   -1 f   11.212   2.5198   18.381   7.4038   17.310   10.001   19.680   11.014   10.790   3.2120   11.443   3.3616 -0.6531897 4.649445 
1 1 1   30   11    0 o   16.986   2.2805   40.989   10.142   36.702   13.213   47.136   15.821   15.639   3.2515   17.666   3.4581 -2.026751 4.746704 
1 1 1   30   11    1 f   18.531   1.8990   47.908   9.3185   59.064   14.939   40.804   11.922   20.170   2.8360   16.750   2.7451 3.419624 3.946949 
1 1 1   30   11    2 o   5.6186   2.5819  -5.6108   8.9170  -5.3298   11.592  -6.0182   13.956   6.5871   2.9953   7.2168   3.2835 -0.6296453 4.444451 
1 1 1   30   11    3 o   27.667   1.2421  104.081   9.2299  110.562   11.945   94.477   14.541   28.369   1.5738   25.989   2.1011 2.380665 2.625173 
1 1 1   30   11    4 o   38.473   1.1058  200.744   11.426  200.419   13.516  201.559   21.393   38.365   1.3116   38.014   2.1034 0.3509407 2.478873 
1 1 1   30   11    5 o   33.985   1.2513  157.079   11.422  155.382   13.807  160.757   20.329   33.699   1.5254   33.846   2.2491 -0.1473808 2.717583 
1 1 1   30   11    6 o   12.049   2.8195   21.499   8.9627   20.221   10.256   25.631   18.435   11.602   3.1914   12.929   4.4184 -1.326607 5.450496 
1 1 1   30   11    7 o   28.119   1.3094  107.670   9.8894  110.346   11.872  101.604   17.876   28.342   1.5656   26.723   2.5203 1.619362 2.966922 
1 1 1   30   11    8 o   41.880   1.0089  237.512   11.348  243.897   14.446  227.220   18.340   42.337   1.2704   40.666   1.6791 1.670834 2.105509 
1 1 1   30   11    9 o   20.535   1.5848   58.125   8.6733   59.468   10.857   55.756   14.419   20.625   1.9843   19.582   2.8231 1.042892 3.450733 
1 1 1   30   11   10 o   35.687   1.0567  172.624   10.129  195.412   13.411  142.371   15.453   37.873   1.3184   32.083   1.8005 5.789394 2.231588 
1 1 1   30   11   11 o   17.943   1.8843   44.970   8.9456   46.954   12.003   42.490   13.417   18.065   2.5442   16.925   3.0641 1.140152 3.982676 
1 1 1   30   11   12 o   9.5709   2.9991   13.318   8.5744   13.012   10.193   14.058   15.858   9.6208   3.2855   10.535   4.0243 -0.9146204 5.195118 
1 1 1   30   11   13 o   12.556   2.5123   23.012   8.1765   25.732   10.439   18.694   13.152   13.098   3.0279   11.210   3.7321 1.887919 4.805889 
1 1 1   30   11   14 o   6.2486   2.6746   0.5657   7.9942  -2.4590   10.094   5.6561   13.094   6.4619   2.8783   8.5726   3.5288 -2.110748 4.553798 
1 1 1   30   11   15 o   6.5153   2.7487   1.5401   8.2362   3.1871   10.801  -0.7483   12.732   7.5824   3.1702   7.4900   3.2888 0.9242725E-01 4.567967 
1 1 1   30   11   16 o   6.8085   2.7478   3.6674   7.7541  -1.0717   10.501   9.3508   11.499   6.7844   2.9827   8.9161   3.4219 -2.131728 4.539368 
1 1 1   30   11   17 o   19.134   1.6162   50.750   8.2282   48.727   11.304   53.029   12.000   18.442   2.3344   19.229   2.3740 -0.7869377 3.329427 
1 1 1   30   11   18 o   24.352   1.3098   81.251   8.5354   85.320   11.766   76.731   12.401   24.750   1.7818   23.359   1.9957 1.391474 2.675409 
1 1 1   30   11   19 o   10.085   2.7997   15.286   7.8527   10.301   10.883   20.700   11.342   8.9547   3.3531   11.546   3.4170 -2.590978 4.787407 
1 1 1   30   11   20 o   21.576   1.4687   64.316   8.4604   61.189   11.505   67.998   12.484   20.748   2.0932   21.846   2.1558 -1.097616 3.004833 
1 1 1   30   11   21 o   15.347   2.3960   34.439   9.5536   25.390   13.004   45.051   14.082   12.560   3.6423   17.112   3.1810 -4.552236 4.835804 
1 1 1   30   11   22 o   10.635   2.8081   17.325   8.1396   32.336   11.146   0.1675   11.915   14.520   2.9582   7.2513   3.1829 7.269101 4.345320 
1 1 1   30   11   23 o   16.270   2.0628   38.117   8.8122   26.904   12.694   48.548   12.243   12.833   3.5586   18.058   2.5991 -5.225233 4.406737 
1 1 1   30   11   24 o   8.0842   2.9867   8.8170   8.5770  -6.6634   12.947   20.925   11.450   6.6184   3.0662   11.341   3.4507 -4.722959 4.616151 
1 1 1   30   11   25 o   7.7895   3.0201   7.4523   9.0257   0.8736   14.779   11.365   11.398   7.8795   3.4978   8.9949   3.4175 -1.115397 4.890173 
1 1 1   30   11   26 f   8.0797   2.9231   9.3062   8.1519   13.716   11.966   5.4867   11.136   9.4854   3.5231   7.7552   3.2287 1.730184 4.778786 
1 1 1   30   11   27 o   4.6088   2.2396 -12.8280   8.7656  -1.8977   12.450 -23.5736   12.344   6.9138   3.1281   4.9997   2.4745 1.914111 3.988450 
1 1 1   30   11   28 o   7.3725   3.2071   2.8639   11.860 -38.5000   25.629   14.137   13.379   7.0893   3.5186   9.5044   3.6793 -2.415101 5.090924 
1 1 1   30   11   29 o   5.3750   2.6183 -16.4030   12.182 -77.3800   30.225  -4.5775   13.311   6.5248   3.3119   6.7155   3.1104 -0.1906810 4.543489 
1 1 1   30   11   30 o   13.940   4.0400   37.456   16.004   4.9460   28.741   52.067   19.267   9.5174   4.4617   16.177   4.3431 -6.659251 6.226499 
1 1 1   30   12  -24 o   11.208   4.7909   21.170   25.589   21.170   25.589   0.0000   0.0000   11.208   4.7909  ?   ?  0.000000 4.790945 
1 1 1   30   12  -23 o   7.8251   3.5602  -1.8439   16.406  -1.8439   16.406   0.0000   0.0000   7.8251   3.5602  ?   ?  0.000000 3.560232 
1 1 1   30   12  -22 o   9.9730   4.0267   13.964   16.659   13.964   16.659   0.0000   0.0000   9.9730   4.0267  ?   ?  0.000000 4.026665 
1 1 1   30   12  -21 o   6.4427   2.9789  -6.0573   12.131 -13.1088   16.525   2.1841   17.865   6.9183   3.2853   8.6468   3.8417 -1.728527 5.054842 
1 1 1   30   12  -20 o   33.045   1.7204  153.243   15.217  154.182   21.005  152.206   22.074   32.469   2.4261   32.087   2.5831 0.3820610 3.543776 
1 1 1   30   12  -19 o   9.9454   3.5466   14.882   11.954   20.860   16.847   8.8207   16.964   11.396   4.1900   9.4557   3.9646 1.940039 5.768394 
1 1 1   30   12  -18 o   27.483   1.9490  106.819   14.294  130.920   20.308   83.157   20.122   29.919   2.5515   23.158   3.3309 6.760786 4.195836 
1 1 1   30   12  -17 o   5.2975   2.5055  -9.2159   9.4257  -2.4062   15.823 -12.9618   11.735   7.9115   3.5578   5.7151   2.7292 2.196398 4.483977 
1 1 1   30   12  -16 o   8.8565   3.1961   10.743   9.7369  -2.2370   16.574   17.583   12.032   8.1307   3.6501   10.706   3.5698 -2.575352 5.105544 
1 1 1   30   12  -15 o   5.2552   2.5271 -13.5723   10.456 -32.7500   23.773  -8.9731   11.642   7.4587   3.6387   6.1001   2.8533 1.358634 4.623964 
1 1 1   30   12  -14 o   8.8744   3.2824   10.280   10.365   10.420   22.696   10.243   11.651   10.715   4.5439   9.0648   3.4526 1.649975 5.706827 
1 1 1   30   12  -13 o   16.668   1.6741   38.735   7.3936   31.401   9.0417   53.534   12.845   14.720   2.3672   19.198   2.5544 -4.478480 3.482577 
1 1 1   30   12  -12 o   31.017   1.0040  130.502   8.3642  135.590   11.840  125.433   11.817   31.467   1.4009   30.243   1.4548 1.224352 2.019641 
1 1 1   30   12  -11 o   9.0040   2.5922   11.912   6.6082   10.417   8.3164   14.474   10.884   8.6590   2.9676   9.9894   3.3951 -1.330368 4.509284 
1 1 1   30   12  -10 o   24.297   1.1710   80.321   7.6419   84.688   10.127   74.546   11.646   24.793   1.5282   23.098   1.8938 1.694527 2.433547 
1 1 1   30   12   -9 o   22.407   1.3245   68.764   7.9358   74.502   11.566   63.661   10.908   23.104   1.8802   21.327   1.9251 1.777431 2.690925 
1 1 1   30   12   -8 o   8.3361   2.6300   9.9267   6.5820   12.078   8.8500   7.2636   9.8460   9.2049   3.0612   8.1552   3.1565 1.049750 4.397127 
1 1 1   30   12   -7 o   37.009   0.9727  185.531   9.6692  187.402   12.607  182.859   15.069   37.085   1.2656   36.508   1.5368 0.5771065 1.990842 
1 1 1   30   12   -6 o   24.373   1.1700   80.767   7.6591   70.854   10.630   91.473   11.046   22.590   1.7660   25.754   1.6048 -3.163816 2.386235 
1 1 1   30   12   -5 o   15.093   1.7857   31.862   7.0985   33.715   9.8641   29.872   10.223   15.260   2.4928   14.227   2.7751 1.032994 3.730261 
1 1 1   30   12   -4 o   28.540   1.2305  110.865   9.4327  111.929   12.708  109.559   14.077   28.473   1.6690   28.067   1.8782 0.4056129 2.512572 
1 1 1   30   12   -3 o   8.0371   2.7116   8.8453   6.9423   20.978   9.7840  -3.4564   9.8520   11.799   3.0611   6.2364   2.8057 5.562689 4.152342 
1 1 1   30   12   -2 o   28.277   1.1154  108.566   8.4718  107.636   11.970  109.499   11.992   27.952   1.6011   28.199   1.5898 -0.2464504 2.256272 
1 1 1   30   12   -1 o   20.877   1.5125   60.011   8.4239   42.662   11.890   77.498   11.937   17.126   2.6719   23.579   1.9009 -6.452930 3.279156 
1 1 1   30   12    0 o   36.495   1.0313  180.552   10.109  175.631   14.920  184.730   13.746   35.784   1.5523   36.775   1.3916 -0.9905548 2.084775 
1 1 1   30   12    1 o   37.959   1.1241  195.667   11.460  202.906   14.434  183.322   18.850   38.540   1.3944   36.301   1.9404 2.239620 2.389460 
1 1 1   30   12    2 o   25.420   1.2920   88.278   8.7921   74.921   13.016   99.488   11.924   23.077   2.1237   26.844   1.6620 -3.766497 2.696688 
1 1 1   30   12    3 o   41.939   0.9685  238.177   10.909  253.930   16.285  225.354   14.693   43.107   1.4065   40.638   1.3462 2.468365 1.946913 
1 1 1   30   12    4 o   7.8450   2.8185   7.8536   7.5631   4.5375   10.749   11.105   10.643   7.8244   3.2063   9.1906   3.3377 -1.366210 4.628213 
1 1 1   30   12    5 o   23.999   1.3219   78.791   8.4879   80.113   11.559   77.243   12.503   24.013   1.8054   23.488   2.0010 0.5251789 2.695116 
1 1 1   30   12    6 o   16.860   1.8525   39.784   8.2508   40.347   10.876   39.021   12.664   16.715   2.4992   16.183   3.0248 0.5322666 3.923665 
1 1 1   30   12    7 o   13.116   2.3219   24.852   7.8806   33.367   10.389   13.315   12.094   15.100   2.6587   9.8727   3.5621 5.227182 4.444899 
1 1 1   30   12    8 o   16.175   1.8442   36.662   7.8692   35.493   10.575   38.114   11.779   15.597   2.6171   16.072   2.8321 -0.4748602 3.856138 
1 1 1   30   12    9 o   23.155   1.3843   73.544   8.5700   88.456   11.489   54.842   12.867   25.270   1.7027   19.506   2.5145 5.764112 3.036763 
1 1 1   30   12   10 o   37.365   1.1011  189.673   11.050  179.346   15.511  200.318   15.747   36.105   1.5995   38.193   1.5350 -2.088688 2.216882 
1 1 1   30   12   11 o   15.179   2.1431   32.868   8.4945   34.567   10.424   29.509   14.657   15.364   2.6199   13.630   3.8395 1.733475 4.648237 
1 1 1   30   12   12 o   6.4539   2.6830   2.2463   7.6730   3.5754   10.253   0.5542   11.568   7.4755   3.1040   7.3253   3.1769 0.1501985 4.441574 
1 1 1   30   12   13 o   9.7512   2.8503   14.193   7.9356   13.217   10.630   15.421   11.927   9.6276   3.3519   10.267   3.5520 -0.6391783 4.883847 
1 1 1   30   12   14 o   18.050   1.7535   45.561   8.3935   49.230   11.495   41.372   12.285   18.479   2.3706   16.673   2.8454 1.806192 3.703563 
1 1 1   30   12   15 o   31.656   1.1408  136.513   9.6994  145.849   13.182  125.491   14.323   32.549   1.5078   29.997   1.7858 2.551653 2.337237 
1 1 1   30   12   16 o   16.134   1.9317   36.903   8.2042   44.767   11.165   27.672   12.096   17.536   2.4363   13.263   3.3844 4.273008 4.170098 
1 1 1   30   12   17 o   35.478   1.0695  171.377   10.191  174.775   13.993  167.538   14.872   35.616   1.4627   34.790   1.5916 0.8259163 2.161606 
1 1 1   30   12   18 o   19.540   1.6130   53.303   8.3898   47.877   11.574   59.311   12.180   18.076   2.4467   20.251   2.2788 -2.175232 3.343521 
1 1 1   30   12   19 o   12.567   2.5045   23.644   8.1568   29.332   11.008   16.720   12.147   13.717   3.0651   10.377   3.5848 3.340254 4.716537 
1 1 1   30   12   20 o   20.025   1.7160   56.483   9.1404   61.307   11.766   49.141   14.516   20.598   2.1588   17.731   3.1640 2.866314 3.830325 
1 1 1   30   12   21 o   5.1260   2.3767  -5.1524   7.8022  -5.3637   10.635  -4.9061   11.481   6.0794   2.8032   6.3885   2.9336 -0.3091030 4.057578 
1 1 1   30   12   22 o   21.866   1.6359   67.323   9.5381   55.332   14.906   75.637   12.412   18.784   3.0598   22.899   2.0394 -4.115168 3.677182 
1 1 1   30   12   23 o   14.687   2.5371   32.799   9.6468   29.270   15.651   34.962   12.251   12.758   4.0587   14.694   3.1951 -1.936049 5.165454 
1 1 1   30   12   24 o   12.842   2.7252   25.842   9.1085   46.046   15.192   14.503   11.381   16.534   3.5285   9.5475   3.4539 6.986207 4.937534 
1 1 1   30   12   25 o   6.6296   2.8204   2.7094   8.7916 -29.7318   14.910   20.002   10.885   5.3298   2.6517   10.846   3.3760 -5.516151 4.292871 
1 1 1   30   12   26 o   11.881   2.9274   23.089   9.2815   26.170   14.525   20.964   12.067   11.858   3.9207   10.902   3.5721 0.9567633 5.303922 
1 1 1   30   12   27 o   11.801   4.2107   27.758   16.852   1.2830   31.152   38.711   20.037   9.4966   4.5099   13.408   4.6057 -3.911230 6.446116 
1 1 1   30   12   28 o   10.855   4.0802   23.194   16.144   13.380   27.717   28.233   19.860   9.9104   4.5534   11.466   4.4704 -1.556046 6.381081 
1 1 1   30   13  -23 o   8.5688   3.9978  -1.4270   22.620  -1.4270   22.620   0.0000   0.0000   8.5688   3.9978  ?   ?  0.000000 3.997784 
1 1 1   30   13  -22 o   15.897   4.1858   47.604   18.119   47.604   18.119   0.0000   0.0000   15.897   4.1858  ?   ?  0.000000 4.185762 
1 1 1   30   13  -21 o   8.2326   3.6749   2.6325   16.549   2.6325   16.549   0.0000   0.0000   8.2326   3.6749  ?   ?  0.000000 3.674862 
1 1 1   30   13  -20 o   6.6617   3.1501 -10.1827   14.888 -10.1827   14.888   0.0000   0.0000   6.6617   3.1501  ?   ?  0.000000 3.150126 
1 1 1   30   13  -19 o   12.626   3.4745   26.793   12.153   47.613   16.324   0.9016   18.204   16.729   3.7283   8.4401   3.8038 8.288962 5.326322 
1 1 1   30   13  -18 o   9.4181   3.5135   13.229   11.927   24.079   15.977  -0.4270   17.924   11.745   4.1083   8.3101   3.7572 3.435097 5.567244 
1 1 1   30   13  -17 o   10.026   3.5661   15.735   12.079   25.999   17.701   6.7914   16.523   12.150   4.3175   8.9732   3.8431 3.176373 5.780183 
1 1 1   30   13  -16 o   11.496   3.6016   21.735   12.366   13.525   17.598   29.745   17.381   10.118   4.1193   12.975   4.2889 -2.856420 5.946730 
1 1 1   30   13  -15 o   6.7506   3.0466  -2.8282   11.725 -14.4952   15.875   11.174   17.391   6.6964   3.1913   9.8061   4.0547 -3.109769 5.159946 
1 1 1   30   13  -14 o   8.0535   3.5201   1.8410   14.439   11.770   24.984  -3.1381   17.693   10.796   4.6756   8.1606   3.7068 2.635826 5.966679 
1 1 1   30   13  -13 o   37.142   1.4781  190.486   14.745  171.100   34.092  194.947   16.354   32.404   4.0022   37.467   1.6251 -5.062897 4.319544 
1 1 1   30   13  -12 o   23.921   1.8349   80.459   11.699   87.770   24.978   78.404   13.241   23.012   4.1958   23.433   2.1270 -0.4213142 4.704093 
1 1 1   30   13  -11 o   10.694   2.6023   17.202   7.4038   15.387   9.3133   20.320   12.205   10.046   3.1220   11.343   3.5815 -1.296728 4.751206 
1 1 1   30   13  -10 o   27.695   1.1805  104.685   8.7815   95.246   11.779  116.497   13.176   26.152   1.6858   28.922   1.7037 -2.769552 2.396816 
1 1 1   30   13   -9 o   23.328   1.3583   74.854   8.4737   79.264   11.244   69.056   12.892   23.815   1.7705   21.980   2.2139 1.835291 2.834744 
1 1 1   30   13   -8 o   19.508   1.6827   53.067   8.7304   41.916   11.919   65.976   12.824   16.819   2.7321   21.466   2.2581 -4.646854 3.544476 
1 1 1   30   13   -7 o   12.531   2.2442   22.808   7.2759   5.1294   10.595   38.586   10.009   7.8185   3.1911   16.329   2.3498 -8.511042 3.962946 
1 1 1   30   13   -6 o   5.3383   2.3847  -2.1007   6.9829  -6.2396   10.018   1.8098   9.7381   5.8801   2.7146   6.9857   2.9700 -1.105547 4.023708 
1 1 1   30   13   -5 o   18.107   1.7375   45.813   8.3462   35.769   12.286   54.422   11.374   15.350   3.0869   19.527   2.2073 -4.177310 3.794867 
1 1 1   30   13   -4 o   4.8814   2.2456  -4.3620   6.7701 -11.5886   9.2814   3.8550   9.8969   5.0260   2.4074   7.4153   3.0619 -2.389346 3.894946 
1 1 1   30   13   -3 o   9.1370   2.6884   12.342   7.0391   10.358   9.8054   14.451   10.111   8.8199   3.2035   9.8939   3.2713 -1.073950 4.578626 
1 1 1   30   13   -2 f   10.143   2.7406   15.402   7.6431   24.509   10.880   6.5304   10.739   12.621   3.2039   8.1462   3.2527 4.475172 4.565636 
1 1 1   30   13   -1 o   19.312   1.5901   51.714   8.1748   50.124   12.441   52.922   10.845   18.560   2.5641   19.305   2.1268 -0.7442341 3.331326 
1 1 1   30   13    0 o   20.747   1.6090   59.675   8.8959   57.508   11.996   62.322   13.260   20.061   2.2661   20.809   2.4174 -0.7477455 3.313481 
1 1 1   30   13    1 o   30.409   1.1308  125.828   9.2357  135.717   13.460  117.031   12.696   31.337   1.6046   29.080   1.6320 2.257036 2.288715 
1 1 1   30   13    2 f   24.832   1.2958   84.471   8.6128   76.243   12.078   92.986   12.286   23.301   1.9477   25.836   1.7813 -2.535044 2.639435 
1 1 1   30   13    3 o   6.2456   2.6745   0.7232   8.0002   1.6460   12.097   0.0060   10.665   7.6158   3.2758   6.9675   3.0359 0.6482997 4.466282 
1 1 1   30   13    4 o   15.964   2.0576   36.248   8.6172   44.577   12.621   28.974   11.794   17.350   2.8039   13.706   3.2527 3.643359 4.294385 
1 1 1   30   13    5 o   33.748   1.0522  154.752   9.5380  158.490   13.147  150.599   13.858   33.981   1.4405   33.062   1.5606 0.9185638 2.123765 
1 1 1   30   13    6 o   30.155   1.1224  123.777   9.0909  131.643   12.481  114.887   13.268   30.936   1.5020   28.744   1.7266 2.191254 2.288512 
1 1 1   30   13    7 o   7.1853   2.8169   5.2501   7.9189   5.7075   10.491   4.6444   12.073   7.9063   3.1944   8.0735   3.3615 -0.1672072 4.637225 
1 1 1   30   13    8 o   23.299   1.4091   74.761   8.7763   65.093   11.458   88.487   13.652   21.457   2.0116   25.019   2.0495 -3.562138 2.871766 
1 1 1   30   13    9 o   17.169   1.9180   41.680   8.6932   60.641   12.315   22.846   12.274   20.554   2.2684   12.018   3.5539 8.536309 4.216152 
1 1 1   30   13   10 o   22.366   1.5631   69.400   9.3308   71.241   11.590   66.009   15.731   22.472   1.9391   21.056   2.8552 1.416065 3.451472 
1 1 1   30   13   11 o   21.259   1.5018   62.622   8.5201   61.254   11.369   64.374   12.868   20.744   2.0682   21.129   2.3048 -0.3856087 3.096670 
1 1 1   30   13   12 o   22.118   1.4769   67.753   8.7238   58.735   11.337   80.846   13.660   20.267   2.1137   23.774   2.1629 -3.506947 3.024191 
1 1 1   30   13   13 o   9.3965   2.8800   13.368   7.9565   4.8673   10.610   24.290   12.027   7.6936   3.1729   12.296   3.4831 -4.602326 4.711606 
1 1 1   30   13   14 o   9.2867   2.8796   13.080   7.9281   6.7632   10.654   20.918   11.868   8.0447   3.2300   11.404   3.5210 -3.359101 4.778118 
1 1 1   30   13   15 o   14.461   2.2296   30.585   8.3814   30.446   11.655   30.734   12.061   13.871   3.1944   13.879   3.2863 -0.8171082E-02 4.582973 
1 1 1   30   13   16 o   25.445   1.3868   89.660   9.4424   92.522   13.273   86.728   13.435   25.477   1.9547   24.589   2.0530 0.8873482 2.834725 
1 1 1   30   13   17 o   27.213   1.3837  102.648   10.080  109.855   14.675   96.209   13.871   27.708   1.9850   25.903   2.0094 1.805120 2.824488 
1 1 1   30   13   18 o   7.3049   2.9887   5.0026   9.3216   22.879   14.675  -7.0899   12.069   11.540   3.9421   6.2822   2.9274 5.257365 4.910176 
1 1 1   30   13   19 o   7.3584   2.9619   5.7533   8.9833  -1.1437   12.049   14.385   13.480   6.9482   3.1161   9.7160   3.7105 -2.767868 4.845434 
1 1 1   30   13   20 o   32.791   1.2020  148.193   10.587  144.609   15.630  151.231   14.390   31.810   1.8371   32.771   1.6349 -0.9609222 2.459249 
1 1 1   30   13   21 o   7.1969   2.9313   5.3576   8.9166   19.007   14.177  -3.5764   11.469   10.513   3.8469   6.4282   2.9445 4.084543 4.844401 
1 1 1   30   13   22 o   7.9798   3.1266   8.5264   9.7520   20.141   15.471   0.8685   12.562   10.636   3.9950   7.2150   3.2126 3.421137 5.126447 
1 1 1   30   13   23 o   18.831   2.1718   52.930   10.783   45.415   15.893   59.340   14.678   15.886   3.7796   19.205   2.9391 -3.319037 4.787871 
1 1 1   30   13   24 o   10.125   3.2868   17.734   10.225   24.039   14.532   11.552   14.390   11.239   3.9189   8.9252   3.6892 2.313597 5.382184 
1 1 1   30   13   25 o   10.626   3.9709   21.822   15.246   10.180   28.054   26.702   18.163   9.6623   4.4892   11.309   4.3099 -1.646652 6.223242 
1 1 1   30   13   26 o   15.564   4.4162   51.384   19.317   35.790   25.527   72.280   29.550   11.825   4.9028   15.953   5.5868 -4.127827 7.432962 
1 1 1   30   14  -21 o   10.074   4.5151   16.620   25.250   16.620   25.250   0.0000   0.0000   10.074   4.5151  ?   ?  0.000000 4.515066 
1 1 1   30   14  -20 o   10.848   4.1009   22.598   16.360   22.598   16.360   0.0000   0.0000   10.848   4.1009  ?   ?  0.000000 4.100876 
1 1 1   30   14  -19 o   9.4029   3.9056   13.189   16.241   13.189   16.241   0.0000   0.0000   9.4029   3.9056  ?   ?  0.000000 3.905614 
1 1 1   30   14  -18 o   11.731   3.7727   24.953   13.495   30.747   17.146   15.520   21.877   12.542   4.2612   10.159   4.3873 2.383094 6.116068 
1 1 1   30   14  -17 o   13.189   3.2900   29.239   11.616   19.299   15.696   41.275   17.272   10.535   4.0086   14.828   4.1650 -4.293445 5.780616 
1 1 1   30   14  -16 o   7.9050   3.3329   5.7581   12.097   9.5535   17.267   2.0998   16.952   9.2034   3.9349   8.2601   3.7009 0.9432631 5.401860 
1 1 1   30   14  -15 o   7.5015   3.2666   2.6299   12.330 -22.9150   16.921   31.555   18.005   6.2349   3.0477   12.902   4.3668 -6.667542 5.325203 
1 1 1   30   14  -14 o   9.8613   3.5747   15.469   12.201   32.090   16.830  -2.9399   17.712   13.222   4.2091   7.9630   3.6518 5.259318 5.572432 
1 1 1   30   14  -13 o   21.455   2.9279   71.342   16.432   97.420   28.323   58.111   20.175   22.816   4.7751   18.043   4.2355 4.772554 6.382835 
1 1 1   30   14  -12 o   27.032   3.3612  116.690   23.877  133.000   30.260   89.780   38.868   27.734   4.1930   18.960   6.4160 8.774261 7.664597 
1 1 1   30   14  -11 o   9.8991   3.9176   13.837   15.451   46.940   26.561  -3.0935   18.996   15.056   5.2954   8.2916   3.7948 6.763991 6.514721 
1 1 1   30   14  -10 o   5.1536   2.5259 -19.7890   11.856 -24.6971   16.137 -14.0331   17.475   6.0311   2.9541   7.0754   3.3653 -1.044239 4.477889 
1 1 1   30   14   -9 f   6.1671   2.8481  -5.8304   11.041 -16.9695   13.320   18.633   19.740   5.8049   2.8065   11.065   4.4125 -5.260071 5.229381 
1 1 1   30   14   -8 o   18.240   2.0054   47.692   9.6626   46.675   10.704   52.167   22.457   17.882   2.2805   16.794   4.7605 1.088484 5.278559 
1 1 1   30   14   -7 f   8.9365   2.8204   12.028   7.5694   10.562   10.854   13.416   10.561   8.8533   3.3418   9.4859   3.3388 -0.6326132 4.723949 
1 1 1   30   14   -6 o   14.030   2.0677   28.451   7.5580   36.617   10.723   20.390   10.655   15.626   2.6496   11.321   3.3009 4.305323 4.232772 
1 1 1   30   14   -5 o   29.446   1.1594  118.537   9.1695  127.670   13.663  111.053   12.368   30.219   1.6902   28.211   1.6394 2.007774 2.354605 
1 1 1   30   14   -4 o   27.455   1.2272  103.239   9.0498  120.163   13.464   89.291   12.223   29.303   1.7181   25.185   1.8192 4.118507 2.502262 
1 1 1   30   14   -3 o   15.255   1.9963   33.335   7.9832   42.532   11.611   25.090   10.994   16.895   2.6456   12.606   3.2318 4.288778 4.176559 
1 1 1   30   14   -2 o   7.6531   2.8372   7.4633   7.7532   12.942   11.311   2.6078   10.648   9.4873   3.4415   7.3003   3.1048 2.187047 4.635038 
1 1 1   30   14   -1 o   22.128   1.6504   68.397   9.7381   65.021   12.538   73.529   15.460   21.239   2.2313   22.313   2.6300 -1.074574 3.449033 
1 1 1   30   14    0 o   26.748   1.2634   98.059   9.0765  119.894   13.422   79.662   12.321   29.286   1.7139   23.712   1.9518 5.573597 2.597469 
1 1 1   30   14    1 o   23.296   1.4270   75.055   8.8863   84.150   13.069   67.233   12.119   24.331   2.0179   21.678   2.1081 2.653234 2.918259 
1 1 1   30   14    2 o   19.048   1.8193   51.210   9.1946   42.708   14.225   57.310   12.050   16.488   3.3269   19.885   2.2986 -3.396500 4.043725 
1 1 1   30   14    3 o   7.8450   2.9146   7.9010   8.1905   18.385   11.407  -3.2585   11.768   10.801   3.4680   6.7424   3.0467 4.058366 4.616249 
1 1 1   30   14    4 o   28.459   1.2252  110.921   9.3656  115.589   13.531  106.628   12.976   28.708   1.7634   27.570   1.7615 1.137615 2.492504 
1 1 1   30   14    5 o   25.218   1.4937   88.233   10.072   59.563   16.004  107.037   12.961   19.656   3.1368   27.619   1.7563 -7.962387 3.594985 
1 1 1   30   14    6 o   8.5221   3.0104   10.312   8.5933   0.6151   13.239   17.372   11.296   7.6130   3.3480   10.511   3.4568 -2.898195 4.812329 
1 1 1   30   14    7 f   16.541   2.0813   39.437   9.0418   52.080   14.114   30.636   11.775   18.465   2.9448   13.915   3.2153 4.549704 4.360017 
1 1 1   30   14    8 o   11.173   2.9543   19.508   9.0012   24.074   11.312   11.629   14.861   12.222   3.3475   9.5546   3.8223 2.667022 5.080978 
1 1 1   30   14    9 f   13.272   2.5381   26.520   8.7181   27.366   11.769   25.491   12.978   13.012   3.3480   12.390   3.6518 0.6223812 4.954260 
1 1 1   30   14   10 o   27.233   1.3115  102.170   9.5929  117.866   13.925   87.991   13.235   28.879   1.8042   24.793   2.0046 4.086267 2.696907 
1 1 1   30   14   11 o   23.823   1.5090   79.190   9.6058   78.358   14.454   79.848   12.856   23.086   2.3643   23.555   2.0526 -0.4684372 3.130960 
1 1 1   30   14   12 o   21.872   1.6535   67.393   9.6424   78.911   13.056   53.573   14.301   23.350   2.1044   18.568   2.9676 4.782118 3.638028 
1 1 1   30   14   13 o   12.619   2.6494   24.537   8.6937   21.725   11.847   27.819   12.797   11.399   3.5177   12.833   3.5782 -1.434200 5.017731 
1 1 1   30   14   14 o   8.0027   2.9838   8.8279   8.5991  -7.0434   12.240   24.296   12.083   6.3060   2.9416   11.985   3.5212 -5.679296 4.588230 
1 1 1   30   14   15 o   7.1091   2.8485   5.4363   8.2673   12.677   11.755  -1.6509   11.629   9.1912   3.4757   6.7473   3.0407 2.443841 4.618065 
1 1 1   30   14   16 o   6.2324   2.7554  -0.1819   9.0810  -7.1251   12.558   7.4275   13.147   6.3381   2.9642   8.3486   3.4947 -2.010499 4.582521 
1 1 1   30   14   17 o   9.1203   3.2499   13.195   10.036   3.2940   14.946   21.325   13.543   8.0147   3.5395   10.979   3.7856 -2.963816 5.182574 
1 1 1   30   14   18 o   5.1068   2.4152  -7.4647   8.7562 -15.0423   12.288   0.3510   12.480   5.5168   2.6741   7.1178   3.1833 -1.601038 4.157369 
1 1 1   30   14   19 o   16.652   2.3152   42.061   10.075   43.603   13.327   40.003   15.391   16.188   3.1787   14.779   3.8416 1.408070 4.986223 
1 1 1   30   14   20 o   22.231   2.0702   73.301   12.219  100.797   19.711   56.140   15.572   24.868   3.0126   18.189   3.3093 6.678211 4.475176 
1 1 1   30   14   21 o   24.488   2.0308   88.942   13.236   86.902   16.461   92.675   22.266   23.442   2.6616   22.594   3.8042 0.8479366 4.642848 
1 1 1   30   14   22 o   15.768   3.3727   43.756   13.851   59.312   19.567   28.132   19.610   17.175   4.2619   11.320   4.4343 5.854806 6.150321 
1 1 1   30   14   23 o   27.590   2.0679  114.384   15.213  120.260   20.596  107.331   22.566   27.001   2.8847   24.433   3.5420 2.568373 4.568016 
1 1 1   30   15  -20 o   15.151   5.2772   64.400   26.349   64.400   26.349   0.0000   0.0000   15.151   5.2772  ?   ?  0.000000 5.277230 
1 1 1   30   15  -19 o   16.601   3.9125   53.485   17.160   53.485   17.160   0.0000   0.0000   16.601   3.9125  ?   ?  0.000000 3.912532 
1 1 1   30   15  -18 o   18.748   3.7618   65.131   18.284   65.131   18.284   0.0000   0.0000   18.748   3.7618  ?   ?  0.000000 3.761798 
1 1 1   30   15  -17 o   6.7804   3.3218 -21.2300   20.437 -21.2300   20.437   0.0000   0.0000   6.7804   3.3218  ?   ?  0.000000 3.321788 
1 1 1   30   15  -16 o   6.4251   3.0162  -6.3319   13.213 -14.6023   15.960   11.680   23.554   6.3658   3.0764   9.5600   4.3160 -3.194146 5.300170 
1 1 1   30   15  -15 o   8.1227   3.3906   8.0026   12.326 -14.5084   17.084   32.444   17.801   6.6390   3.2020   12.533   4.3392 -5.893983 5.392726 
1 1 1   30   15  -14 f   22.768   2.6034   80.583   15.634  116.700   28.461   64.975   18.710   24.532   4.4847   19.070   3.7864 5.461924 5.869318 
1 1 1   30   15  -13 o   11.039   3.8759   22.359   14.227   8.5610   17.418   50.020   24.662   8.9188   3.8831   14.705   5.1064 -5.786145 6.415120 
1 1 1   30   15  -12 o   8.9088   3.4843   11.828   12.094   16.216   16.300   6.4520   18.040   9.9559   3.9960   8.7931   3.8857 1.162732 5.573734 
1 1 1   30   15  -11 o   16.537   3.4573   46.321   14.862   4.1570   24.548   70.720   18.674   9.3627   4.2956   20.448   3.5275 -11.08528 5.558383 
1 1 1   30   15  -10 o   14.073   3.5793   34.263   13.561   4.8940   18.397   69.208   20.067   8.7485   3.8921   19.831   3.9065 -11.08227 5.514428 
1 1 1   30   15   -9 o   22.141   2.7995   76.193   16.276   58.180   25.100   89.262   21.380   16.459   5.1270   23.077   3.5642 -6.618067 6.244215 
1 1 1   30   15   -8 o   11.502   3.6864   22.991   12.893   7.1882   16.989   44.452   19.798   8.8947   3.8537   15.126   4.5232 -6.231219 5.942241 
1 1 1   30   15   -7 o   21.710   2.5165   71.111   14.402  106.568   18.917   22.222   22.213   26.396   2.7065   11.281   4.6143 15.11581 5.349437 
1 1 1   30   15   -6 o   19.530   2.2652   56.391   11.662   59.916   12.232   21.210   38.641   20.103   2.3071   11.795   5.4034 8.308135 5.875359 
1 1 1   30   15   -5 o   11.571   2.9734   21.464   9.2909   19.021   11.349   26.427   16.177   10.696   3.4619   12.102   4.1390 -1.406415 5.395929 
1 1 1   30   15   -4 o   10.461   3.1941   17.782   9.7978   34.400   13.848   1.1237   13.865   14.235   3.6152   7.6584   3.3943 6.576115 4.958879 
1 1 1   30   15   -3 o   13.248   2.5685   26.839   8.8097   13.560   11.332   47.121   14.006   9.4096   3.4400   17.184   3.1507 -7.773914 4.664754 
1 1 1   30   15   -2 o   9.9553   3.2002   15.890   9.7106   4.3444   11.476   45.005   18.223   7.6346   3.2340   15.774   4.2191 -8.139355 5.315947 
1 1 1   30   15   -1 o   15.663   2.2618   36.303   9.2398   25.212   12.037   52.212   14.417   12.262   3.4885   18.201   3.0575 -5.939116 4.638716 
1 1 1   30   15    0 o   22.244   1.7702   70.305   10.488   96.525   14.701   43.129   14.967   25.766   2.1438   16.087   3.5583 9.678415 4.154188 
1 1 1   30   15    1 o   10.682   3.0401   18.305   9.1399   19.148   11.780   17.031   14.488   10.749   3.5297   10.311   3.8674 0.4377251 5.235990 
1 1 1   30   15    2 o   4.5579   2.2179 -13.2260   8.6764 -11.9684   10.860 -15.4450   14.426   5.4238   2.5996   6.1611   2.9642 -0.7372632 3.942593 
1 1 1   30   15    3 o   16.258   2.3760   39.457   10.069   38.831   13.676   40.199   14.878   15.353   3.4056   15.412   3.6505 -0.5882645E-01 4.992423 
1 1 1   30   15    4 o   8.1945   3.0535   9.3646   9.0031   11.129   11.525   6.6022   14.422   8.8907   3.4223   8.5127   3.6167 0.3780384 4.979224 
1 1 1   30   15    5 o   6.5089   2.8070   1.5056   8.9299   4.2397   11.479  -2.6861   14.213   7.5961   3.2269   7.2689   3.3097 0.3271585 4.622442 
1 1 1   30   15    6 o   10.121   3.3097   16.711   10.361   8.0146   14.200   26.613   15.152   8.6615   3.6292   12.192   4.0032 -3.530551 5.403419 
1 1 1   30   15    7 o   7.9410   3.2829   6.4968   11.397   7.6164   13.733   4.0194   20.428   8.5115   3.5679   9.0305   4.0532 -0.5190220 5.399822 
1 1 1   30   15    8 o   9.0154   3.2643   12.491   10.169   25.079   13.671  -3.1016   15.215   11.922   3.7933   7.3984   3.3898 4.523493 5.087267 
1 1 1   30   15    9 o   10.501   3.2151   18.261   9.9192   10.427   12.046   34.760   17.481   8.7242   3.4571   13.512   4.2885 -4.787670 5.508435 
1 1 1   30   15   10 o   11.531   3.2317   22.258   10.411   28.807   13.138   11.205   17.068   12.812   3.6444   9.3634   3.9539 3.448270 5.377285 
1 1 1   30   15   11 o   10.890   3.1924   19.857   9.9420   21.797   12.327   16.246   16.817   11.153   3.6077   10.037   4.0482 1.115886 5.422493 
1 1 1   30   15   12 o   5.9321   2.6945  -2.4530   9.3481   3.5829   12.081 -11.4605   14.758   7.4871   3.2468   6.4408   3.0715 1.046291 4.469469 
1 1 1   30   15   13 o   9.6664   3.2410   15.630   9.9170   8.3613   12.410   28.473   16.496   8.2737   3.4234   12.098   4.1777 -3.824058 5.401254 
1 1 1   30   15   14 f   8.0757   3.1642   9.1460   9.9878   6.5517   12.616   13.503   16.349   7.9693   3.3842   9.4289   3.9177 -1.459559 5.176934 
1 1 1   30   15   15 o   10.248   3.3512   18.336   10.622   19.134   15.181   17.570   14.868   10.244   3.9316   9.9630   3.8725 0.2809954 5.518531 
1 1 1   30   15   16 o   6.5503   2.9143   0.6238   10.316  -3.6871   12.592   9.4212   17.988   6.5514   3.0312   8.8992   3.9084 -2.347799 4.946045 
1 1 1   30   15   17 o   7.2650   3.0754   5.2252   10.367   17.795   14.597  -7.5682   14.726   9.8587   3.8357   6.6119   3.1286 3.246770 4.949775 
1 1 1   30   15   18 o   5.5463   2.6463  -8.9954   10.983 -20.9633   14.705   6.1020   16.516   5.6163   2.7646   8.2251   3.6714 -2.608834 4.595899 
1 1 1   30   15   19 o   4.5990   2.3112 -30.4008   12.693 -35.7281   17.476 -24.4524   18.467   5.4714   2.7444   6.1764   3.0513 -0.7049875 4.103868 
1 1 1   30   15   20 o   14.354   3.6758   39.539   14.233   50.660   19.296   26.267   21.080   15.046   4.4577   10.619   4.4335 4.427011 6.287039 
1 1 1   30   16  -16 o   15.364   4.2271   50.887   17.991   50.887   17.991   0.0000   0.0000   15.364   4.2271  ?   ?  0.000000 4.227088 
1 1 1   30   16  -15 o   7.5897   3.5110   1.0720   16.884   1.0720   16.884   0.0000   0.0000   7.5897   3.5110  ?   ?  0.000000 3.510983 
1 1 1   30   16  -14 f   8.9848   3.4387   14.266   11.593   4.4302   15.911   25.394   16.925   7.8570   3.5472   10.831   4.1526 -2.973613 5.461396 
1 1 1   30   16  -13 o   7.7668   3.2898   7.3381   11.873   18.580   16.698  -4.1571   16.886   9.8171   4.0065   7.2177   3.3952 2.599431 5.251574 
1 1 1   30   16  -12 o   8.2543   3.4305   9.5931   12.541  -9.3934   17.658   28.916   17.813   6.9758   3.3358   11.526   4.2951 -4.550007 5.438326 
1 1 1   30   16  -11 o   14.126   3.3737   35.450   12.624   42.072   18.099   29.175   17.618   14.083   4.3481   11.673   4.2858 2.410077 6.105280 
1 1 1   30   16  -10 o   11.169   3.5763   23.125   12.136   28.461   16.360   16.593   18.099   11.762   4.1538   9.7387   4.0898 2.023553 5.829295 
1 1 1   30   16   -9 o   9.9930   3.7626   18.192   13.740   23.180   22.120   15.059   17.532   10.687   4.5064   9.5570   4.0200 1.130077 6.038882 
1 1 1   30   16   -8 o   19.161   3.2540   62.180   16.148  109.500   28.838   40.566   19.489   22.856   4.8479   13.697   4.5422 9.158628 6.643336 
1 1 1   30   16   -7 o   16.220   3.6744   47.315   15.637   77.160   28.794   34.832   18.622   17.625   5.4914   12.833   4.4383 4.792076 7.060782 
1 1 1   30   16   -6 o   6.6368   3.0552  -3.1644   12.560   10.150   17.117 -18.6957   18.488   8.9832   3.8802   6.6540   3.2379 2.329205 5.053672 
1 1 1   30   16   -5 f   12.766   4.0414   31.576   15.532   47.146   17.986 -14.0900   30.802   15.563   4.2037   8.6623   4.2068 6.901160 5.947133 
1 1 1   30   16   -4 o   5.7694   2.8115 -17.6626   14.083 -23.5510   16.725  -3.3160   26.106   6.0266   2.9631   8.7895   4.1609 -2.762892 5.108106 
1 1 1   30   16   -3 o   5.0180   2.4326 -13.0624   10.178 -10.3945   11.109 -27.0100   25.400   5.5384   2.6477   7.4223   3.6497 -1.883944 4.508997 
1 1 1   30   16   -2 o   25.860   1.5514   94.808   10.726  109.150   13.642   71.590   17.357   27.439   1.8620   20.776   3.2142 6.663502 3.714615 
1 1 1   30   16   -1 o   21.417   1.8559   66.589   10.571   67.733   14.661   65.351   15.255   20.792   2.6883   20.201   2.8942 0.5906830 3.950093 
1 1 1   30   16    0 o   15.214   2.3759   35.401   9.3917   32.963   12.522   38.536   14.199   13.806   3.3995   14.748   3.6130 -0.9418802 4.960920 
1 1 1   30   16    1 o   21.402   1.7993   66.205   10.247   77.975   13.214   48.453   16.229   22.874   2.1772   16.446   3.7563 6.427645 4.341654 
1 1 1   30   16    2 o   7.2710   2.9416   6.1053   8.9092   11.288   11.852  -0.6291   13.510   8.7177   3.4371   7.1701   3.2500 1.547689 4.730292 
1 1 1   30   16    3 o   10.863   3.0066   19.686   9.0703   14.579   12.018   26.446   13.826   9.3880   3.5221   11.928   3.8169 -2.540337 5.193589 
1 1 1   30   16    4 o   8.4858   3.2887   10.737   10.699   24.482   16.211   0.1293   14.241   11.261   4.1147   7.3888   3.3440 3.872453 5.302211 
1 1 1   30   16    5 f   4.4015   2.1616 -14.9555   8.8224 -11.8324   11.549 -19.3319   13.671   5.5283   2.6578   5.5474   2.7175 -0.1907730E-01 3.801186 
1 1 1   30   16    6 o   10.893   3.2113   20.439   10.035   25.607   12.366   10.473   17.172   11.890   3.5790   9.0293   3.8933 2.860624 5.288344 
1 1 1   30   16    7 o   13.654   2.7050   29.878   9.5691   46.228   12.761   8.8740   14.464   16.840   2.9276   8.5086   3.6186 8.331111 4.654606 
1 1 1   30   16    8 o   9.0780   3.3855   13.690   11.071   31.143   17.565   2.1851   14.261   12.238   4.3060   7.5684   3.3925 4.669156 5.481856 
1 1 1   30   16    9 o   8.0464   3.1809   9.3044   10.176   3.8091   14.077   15.319   14.727   7.7140   3.4195   9.4794   3.8005 -1.765378 5.112401 
1 1 1   30   16   10 o   18.465   2.1695   51.572   10.555   58.464   13.391   40.266   17.152   19.143   2.6776   14.036   4.2129 5.106932 4.991782 
1 1 1   30   16   11 o   7.1519   3.0146   5.1762   9.8923  -4.5286   12.444   21.838   16.305   6.3779   2.9721   10.486   4.0611 -4.107946 5.032477 
1 1 1   30   16   12 o   8.8964   3.1541   13.493   9.4412   18.825   12.370   6.0525   14.613   10.044   3.6050   7.9756   3.5122 2.068117 5.033015 
1 1 1   30   16   13 o   8.3954   3.1364   11.608   9.5102   25.571   12.874  -5.1662   14.110   11.478   3.6841   6.6247   3.1122 4.853464 4.822725 
1 1 1   30   16   14 f   9.9679   3.4117   18.471   10.991   24.427   14.802   11.149   16.411   10.869   3.9378   8.7027   3.7791 2.166280 5.457820 
1 1 1   30   16   15 o   7.3419   3.2003   5.1307   11.861   2.1556   14.459   11.250   20.737   7.3566   3.3452   8.9140   4.0347 -1.557338 5.241139 
1 1 1   30   16   16 o   24.615   2.0663   92.254   13.535   96.210   20.117   88.982   18.295   23.147   3.3318   22.645   3.0885 0.5015945 4.543112 
1 1 1   30   17  -11 o   7.3916   3.1880   6.6232   11.521   11.513   15.678   0.8822   16.987   8.4338   3.6777   7.4211   3.4630 1.012722 5.051503 
1 1 1   30   17  -10 o   7.0426   3.1362   3.5627   11.976   9.4956   15.954  -4.0965   18.127   8.2490   3.6493   7.2028   3.4263 1.046143 5.005695 
1 1 1   30   17   -9 o   20.484   2.5327   67.916   13.638   68.638   18.488   67.054   20.200   18.756   3.8000   17.660   4.2989 1.095997 5.737643 
1 1 1   30   17   -8 o   8.6178   3.5753   12.624   13.587   9.3420   20.923   15.016   17.866   8.6629   3.9713   9.1061   3.9487 -0.4432678 5.600320 
1 1 1   30   17   -7 o   6.5023   3.0081  -2.0586   12.396 -10.8714   17.015   7.9083   18.095   6.6250   3.1954   8.3582   3.7773 -1.733234 4.947579 
1 1 1   30   17   -6 o   14.644   3.8628   42.760   15.412   49.960   26.640   39.137   18.895   12.916   5.1338   12.847   4.4692 0.6877232E-01 6.806584 
1 1 1   30   17   -5 o   6.5283   3.0115  -1.8790   12.294 -12.9315   16.494   11.937   18.441   6.4224   3.1094   8.8737   3.9246 -2.451289 5.007122 
1 1 1   30   17   -4 o   9.9180   3.5835   18.844   12.246   20.561   16.473   16.722   18.310   10.020   4.0187   9.4641   4.0493 0.5558844 5.704966 
1 1 1   30   17   -3 o   6.8471   3.1900  -2.8376   14.321   2.3147   17.163 -14.6500   25.987   7.7872   3.5798   7.7171   3.7732 0.7012606E-01 5.201181 
1 1 1   30   17   -2 o   9.9595   3.8274   19.547   14.398   39.419   17.192 -27.1400   26.351   13.471   4.2504   7.2222   3.5817 6.249196 5.558319 
1 1 1   30   17   -1 o   14.611   3.4620   39.145   13.378   61.080   18.038   12.332   19.943   17.784   3.8848   9.0640   4.0409 8.720375 5.605464 
1 1 1   30   17    0 o   21.768   2.1933   72.602   12.649   75.522   15.756   67.306   21.216   21.409   2.8076   17.736   4.4585 3.673122 5.268860 
1 1 1   30   17    1 o   9.2986   3.3397   15.575   10.618   20.017   12.514   4.1529   20.065   10.189   3.6292   8.2971   3.8345 1.892040 5.279589 
1 1 1   30   17    2 o   5.5904   2.5771  -2.9958   8.9790   1.1543   12.033  -8.2100   13.488   6.8630   3.0929   6.1906   2.9478 0.6723876 4.272663 
1 1 1   30   17    3 o   6.0767   2.7622  -1.1001   9.8461 -11.9885   14.397   8.4674   13.496   6.0834   2.9354   8.0769   3.4666 -1.993553 4.542492 
1 1 1   30   17    4 o   10.092   3.1004   18.155   9.2150   34.615   12.372  -2.3556   13.811   13.772   3.3717   6.7896   3.1530 6.982334 4.616227 
1 1 1   30   17    5 o   7.4506   3.0621   7.4123   9.8402   14.687   13.783  -0.1500   14.053   9.0508   3.6598   7.0509   3.2406 1.999921 4.888263 
1 1 1   30   17    6 o   7.0770   2.9564   5.8885   9.3818  -0.9897   12.476   14.841   14.233   6.6529   3.0560   9.0607   3.6985 -2.407812 4.797712 
1 1 1   30   17    7 o   13.173   3.0353   30.365   10.519   22.316   15.072   38.007   14.687   10.306   3.9265   13.742   3.8338 -3.436432 5.487788 
1 1 1   30   17    8 o   8.4147   3.2064   12.190   10.052   21.600   12.563  -4.5518   16.757   10.386   3.6425   7.0290   3.3292 3.356534 4.934714 
1 1 1   30   17    9 o   8.0319   3.1025   10.687   9.4968   22.253   12.668  -4.1521   14.349   10.475   3.6586   6.6325   3.1229 3.842538 4.810171 
1 1 1   30   17   10 o   8.8115   3.2517   14.183   10.160  -0.9636   14.519   28.721   14.224   6.9356   3.2248   11.572   3.8814 -4.636233 5.046246 
1 1 1   30   17   11 o   14.465   2.9573   36.583   11.101   39.447   14.632   32.697   17.042   13.840   3.8139   11.698   4.2272 2.141724 5.693463 
1 1 1   31    0  -36 o   7.5094   4.5859   8.6871   17.537   8.6871   17.537   8.6871   17.537   7.5094   4.5859   7.5094   4.5859 0.000000 0.000000 
1 1 1   31    0  -35 o   10.418   5.1598   23.471   17.390   23.471   17.390   23.471   17.390   10.418   5.1598   10.418   5.1598 0.000000 0.000000 
1 1 1   31    0  -34 o   26.333   2.0893   96.175   14.563   96.175   14.563   96.175   14.563   26.333   2.0893   26.333   2.0893 0.000000 0.000000 
1 1 1   31    0  -33 o   16.867   3.2586   43.206   13.176   43.206   13.176   43.206   13.176   16.867   3.2586   16.867   3.2586 0.000000 0.000000 
1 1 1   31    0  -32 o   4.6577   3.1565  -5.4356   11.763  -5.4356   11.763  -5.4356   11.763   4.6577   3.1565   4.6577   3.1565 0.000000 0.000000 
1 1 1   31    0  -31 o   58.508   1.4981  463.486   23.507  463.486   23.507  463.486   23.507   58.508   1.4981   58.508   1.4981 0.000000 0.000000 
1 1 1   31    0  -30 o   13.157   4.1186   29.986   12.771   29.986   12.771   29.986   12.771   13.157   4.1186   13.157   4.1186 0.000000 0.000000 
1 1 1   31    0  -29 o   16.937   3.2170   43.291   13.099   43.291   13.099   43.291   13.099   16.937   3.2170   16.937   3.2170 0.000000 0.000000 
1 1 1   31    0  -28 o   55.748   2.1424  424.133   31.972  424.133   31.972  424.133   31.972   55.748   2.1424   55.748   2.1424 0.000000 0.000000 
1 1 1   31    0  -27 o   11.224   4.2088   23.446   11.846   23.446   11.846   23.446   11.846   11.224   4.2088   11.224   4.2088 0.000000 0.000000 
1 1 1   31    0  -26 o   23.972   2.0716   79.656   13.109   79.656   13.109   79.656   13.109   23.972   2.0716   23.972   2.0716 0.000000 0.000000 
1 1 1   31    0  -25 o   22.745   2.1956   72.137   13.126   72.137   13.126   72.137   13.126   22.745   2.1956   22.745   2.1956 0.000000 0.000000 
1 1 1   31    0  -24 o   15.989   4.5988   43.026   17.127   43.026   17.127   43.026   17.127   15.989   4.5988   15.989   4.5988 0.000000 0.000000 
1 1 1   31    0  -23 o   10.969   4.0393   22.073   11.013   22.073   11.013   22.073   11.013   10.969   4.0393   10.969   4.0393 0.000000 0.000000 
1 1 1   31    0  -22 o   4.8220   3.1956  -2.5057   10.899  -2.5057   10.899  -2.5057   10.899   4.8220   3.1956   4.8220   3.1956 0.000000 0.000000 
1 1 1   31    0  -21 o   30.421   1.7097  126.116   13.869  126.116   13.869  126.116   13.869   30.421   1.7097   30.421   1.7097 0.000000 0.000000 
1 1 1   31    0  -20 o   44.517   1.4856  268.050   17.718  268.050   17.718  268.050   17.718   44.517   1.4856   44.517   1.4856 0.000000 0.000000 
1 1 1   31    0  -19 o   24.682   1.9356   83.808   12.650   83.808   12.650   83.808   12.650   24.682   1.9356   24.682   1.9356 0.000000 0.000000 
1 1 1   31    0  -18 o   12.985   3.6452   27.733   11.004   27.733   11.004   27.733   11.004   12.985   3.6452   12.985   3.6452 0.000000 0.000000 
1 1 1   31    0  -17 o   51.195   1.4308  353.897   19.639  353.897   19.639  353.897   19.639   51.195   1.4308   51.195   1.4308 0.000000 0.000000 
1 1 1   31    0  -16 o   16.240   2.8488   38.875   11.283   38.875   11.283   38.875   11.283   16.240   2.8488   16.240   2.8488 0.000000 0.000000 
1 1 1   31    0  -15 o   3.1366   2.2818 -23.9518   10.970 -23.9518   10.970 -23.9518   10.970   3.1366   2.2818   3.1366   2.2818 0.000000 0.000000 
1 1 1   31    0  -14 o   11.043   6.4239   22.130   31.383   22.130   31.383   22.130   31.383   11.043   6.4239   11.043   6.4239 0.000000 0.000000 
1 1 1   31    0  -13 o   35.566   1.8511  172.025   17.574  172.025   17.574  172.025   17.574   35.566   1.8511   35.566   1.8511 0.000000 0.000000 
1 1 1   31    0  -12 o   61.199   1.6391  505.840   26.900  505.840   26.900  505.840   26.900   61.199   1.6391   61.199   1.6391 0.000000 0.000000 
1 1 1   31    0  -11 o   7.8699   2.8819   11.172   5.6220   11.172   5.6220   11.172   5.6220   7.8699   2.8819   7.8699   2.8819 0.000000 0.000000 
1 1 1   31    0  -10 o   7.6018   3.1039   10.927   6.2369   10.927   6.2369   10.927   6.2369   7.6018   3.1039   7.6018   3.1039 0.000000 0.000000 
1 1 1   31    0   -9 o   24.011   1.3615   78.348   8.7159   78.348   8.7159   78.348   8.7159   24.011   1.3615   24.011   1.3615 0.000000 0.000000 
1 1 1   31    0   -8 f   3.3488   2.3052  -4.9921   6.8317  -4.9921   6.8317  -4.9921   6.8317   3.3488   2.3052   3.3488   2.3052 0.000000 0.000000 
1 1 1   31    0   -7 o   21.299   1.8151   62.476   10.211   62.476   10.211   62.476   10.211   21.299   1.8151   21.299   1.8151 0.000000 0.000000 
1 1 1   31    0   -6 o   16.375   2.1484   38.006   8.9980   38.006   8.9980   38.006   8.9980   16.375   2.1484   16.375   2.1484 0.000000 0.000000 
1 1 1   31    0   -5 o   3.9786   2.6500  -2.3361   7.6533  -2.3361   7.6533  -2.3361   7.6533   3.9786   2.6500   3.9786   2.6500 0.000000 0.000000 
1 1 1   31    0   -4 o   4.8252   2.9758   2.4220   7.5486   2.4220   7.5486   2.4220   7.5486   4.8252   2.9758   4.8252   2.9758 0.000000 0.000000 
1 1 1   31    0   -3 o   32.879   1.1890  145.981   10.469  145.981   10.469  145.981   10.469   32.879   1.1890   32.879   1.1890 0.000000 0.000000 
1 1 1   31    0   -2 o   39.224   1.2603  207.633   13.246  207.633   13.246  207.633   13.246   39.224   1.2603   39.224   1.2603 0.000000 0.000000 
1 1 1   31    0   -1 o   9.7887   3.4247   16.990   8.1528   16.990   8.1528   16.990   8.1528   9.7887   3.4247   9.7887   3.4247 0.000000 0.000000 
1 1 1   31    0    0 o   22.688   1.5330   70.255   9.2441   70.255   9.2441   70.255   9.2441   22.688   1.5330   22.688   1.5330 0.000000 0.000000 
1 1 1   31    0    1 o   4.6139   2.9275   0.9987   7.8730   0.9987   7.8730   0.9987   7.8730   4.6139   2.9275   4.6139   2.9275 0.000000 0.000000 
1 1 1   31    0    2 o   22.065   1.9458   67.171   11.325   67.171   11.325   67.171   11.325   22.065   1.9458   22.065   1.9458 0.000000 0.000000 
1 1 1   31    0    3 o   20.564   1.7430   58.198   9.4679   58.198   9.4679   58.198   9.4679   20.564   1.7430   20.564   1.7430 0.000000 0.000000 
1 1 1   31    0    4 o   6.9584   3.5202   9.6825   8.1790   9.6825   8.1790   9.6825   8.1790   6.9584   3.5202   6.9584   3.5202 0.000000 0.000000 
1 1 1   31    0    5 o   59.792   1.1154  481.320   17.898  481.320   17.898  481.320   17.898   59.792   1.1154   59.792   1.1154 0.000000 0.000000 
1 1 1   31    0    6 o   52.382   1.1169  369.536   15.698  369.536   15.698  369.536   15.698   52.382   1.1169   52.382   1.1169 0.000000 0.000000 
1 1 1   31    0    7 o   52.941   1.1172  377.467   15.870  377.467   15.870  377.467   15.870   52.941   1.1172   52.941   1.1172 0.000000 0.000000 
1 1 1   31    0    8 f   3.1031   2.2071 -11.0061   7.9456 -11.0061   7.9456 -11.0061   7.9456   3.1031   2.2071   3.1031   2.2071 0.000000 0.000000 
1 1 1   31    0    9 o   7.5809   3.6128   11.487   8.4135   11.487   8.4135   11.487   8.4135   7.5809   3.6128   7.5809   3.6128 0.000000 0.000000 
1 1 1   31    0   10 o  106.218   1.5398  1520.67   43.908  1520.67   43.908  1520.67   43.908  106.218   1.5398  106.218   1.5398 0.000000 0.000000 
1 1 1   31    0   11 o   9.5489   3.6692   16.860   8.9040   16.860   8.9040   16.860   8.9040   9.5489   3.6692   9.5489   3.6692 0.000000 0.000000 
1 1 1   31    0   12 o   26.876   1.4872   98.175   10.661   98.175   10.661   98.175   10.661   26.876   1.4872   26.876   1.4872 0.000000 0.000000 
1 1 1   31    0   13 o   44.402   1.1785  265.819   14.032  265.819   14.032  265.819   14.032   44.402   1.1785   44.402   1.1785 0.000000 0.000000 
1 1 1   31    0   14 o   58.216   1.2356  456.720   19.301  456.720   19.301  456.720   19.301   58.216   1.2356   58.216   1.2356 0.000000 0.000000 
1 1 1   31    0   15 o   8.0106   3.7580   12.829   9.0663   12.829   9.0663   12.829   9.0663   8.0106   3.7580   8.0106   3.7580 0.000000 0.000000 
1 1 1   31    0   16 o   59.321   1.1596  474.068   18.461  474.068   18.461  474.068   18.461   59.321   1.1596   59.321   1.1596 0.000000 0.000000 
1 1 1   31    0   17 o   12.520   3.2969   25.225   9.5787   25.225   9.5787   25.225   9.5787   12.520   3.2969   12.520   3.2969 0.000000 0.000000 
1 1 1   31    0   18 o   5.0302   3.1837   1.4342   9.2475   1.4342   9.2475   1.4342   9.2475   5.0302   3.1837   5.0302   3.1837 0.000000 0.000000 
1 1 1   31    0   19 o   8.6911   3.8374   14.866   9.4152   14.866   9.4152   14.866   9.4152   8.6911   3.8374   8.6911   3.8374 0.000000 0.000000 
1 1 1   31    0   20 o   39.014   1.2767  205.644   13.346  205.644   13.346  205.644   13.346   39.014   1.2767   39.014   1.2767 0.000000 0.000000 
1 1 1   31    0   21 o   23.095   1.9874   73.708   12.118   73.708   12.118   73.708   12.118   23.095   1.9874   23.095   1.9874 0.000000 0.000000 
1 1 1   31    0   22 o   35.950   1.3291  174.870   12.794  174.870   12.794  174.870   12.794   35.950   1.3291   35.950   1.3291 0.000000 0.000000 
1 1 1   31    0   23 o   31.655   1.4299  135.955   12.101  135.955   12.101  135.955   12.101   31.655   1.4299   31.655   1.4299 0.000000 0.000000 
1 1 1   31    0   24 o   28.758   1.5504  112.602   11.896  112.602   11.896  112.602   11.896   28.758   1.5504   28.758   1.5504 0.000000 0.000000 
1 1 1   31    0   25 o   30.752   1.5017  128.560   12.336  128.560   12.336  128.560   12.336   30.752   1.5017   30.752   1.5017 0.000000 0.000000 
1 1 1   31    0   26 o   20.478   2.4525   59.455   12.978   59.455   12.978   59.455   12.978   20.478   2.4525   20.478   2.4525 0.000000 0.000000 
1 1 1   31    0   27 o   13.315   3.2046   28.023   9.9380   28.023   9.9380   28.023   9.9380   13.315   3.2046   13.315   3.2046 0.000000 0.000000 
1 1 1   31    0   28 o   25.188   1.8992   87.422   12.681   87.422   12.681   87.422   12.681   25.188   1.8992   25.188   1.8992 0.000000 0.000000 
1 1 1   31    0   29 o   32.460   1.4658  143.166   12.720  143.166   12.720  143.166   12.720   32.460   1.4658   32.460   1.4658 0.000000 0.000000 
1 1 1   31    0   30 o   9.2180   4.5159   17.670   13.261   17.670   13.261   17.670   13.261   9.2180   4.5159   9.2180   4.5159 0.000000 0.000000 
1 1 1   31    0   31 o   3.0899   2.2459 -22.2287   10.499 -22.2287   10.499 -22.2287   10.499   3.0899   2.2459   3.0899   2.2459 0.000000 0.000000 
1 1 1   31    0   32 o   17.122   2.4716   42.370   10.678   42.370   10.678   42.370   10.678   17.122   2.4716   17.122   2.4716 0.000000 0.000000 
1 1 1   31    0   33 o   36.977   1.5778  186.006   15.605  186.006   15.605  186.006   15.605   36.977   1.5778   36.977   1.5778 0.000000 0.000000 
1 1 1   31    0   34 o   14.880   3.2124   34.348   11.262   34.348   11.262   34.348   11.262   14.880   3.2124   14.880   3.2124 0.000000 0.000000 
1 1 1   31    0   35 o   17.337   2.6883   44.080   11.622   44.080   11.622   44.080   11.622   17.337   2.6883   17.337   2.6883 0.000000 0.000000 
1 1 1   31    0   36 o   25.559   1.7758   90.087   12.055   90.087   12.055   90.087   12.055   25.559   1.7758   25.559   1.7758 0.000000 0.000000 
1 1 1   31    0   37 o   11.319   4.2635   24.484   12.129   24.484   12.129   24.484   12.129   11.319   4.2635   11.319   4.2635 0.000000 0.000000 
1 1 1   31    0   38 o   47.582   1.7386  310.065   22.153  310.065   22.153  310.065   22.153   47.582   1.7386   47.582   1.7386 0.000000 0.000000 
1 1 1   31    0   39 o   23.006   2.2312   75.092   13.489   75.092   13.489   75.092   13.489   23.006   2.2312   23.006   2.2312 0.000000 0.000000 
1 1 1   31    0   40 o   7.1693   4.1593   10.520   13.103   10.520   13.103   10.520   13.103   7.1693   4.1593   7.1693   4.1593 0.000000 0.000000 
1 1 1   31    0   41 o   6.8710   4.2211   8.2005   15.059   8.2005   15.059   8.2005   15.059   6.8710   4.2211   6.8710   4.2211 0.000000 0.000000 
1 1 1   31    0   42 o   20.879   3.1623   66.908   16.529   66.908   16.529   66.908   16.529   20.879   3.1623   20.879   3.1623 0.000000 0.000000 
1 1 1   31    0   43 o   38.938   1.7232  210.792   17.942  210.792   17.942  210.792   17.942   38.938   1.7232   38.938   1.7232 0.000000 0.000000 
1 1 1   31    1  -35 o   19.886   2.6337   56.857   13.721   49.684   19.206   64.335   19.608   17.779   4.1051   20.574   3.6837 -2.795019 5.515550 
1 1 1   31    1  -34 f   15.382   3.0700   34.955   12.239   21.647   17.254   48.435   17.364   12.196   4.2691   17.831   3.7449 -5.634645 5.678872 
1 1 1   31    1  -33 o   21.434   1.6970   63.274   9.6896   69.326   13.748   57.299   13.659   22.201   2.3409   20.058   2.5962 2.143286 3.495715 
1 1 1   31    1  -32 o   21.074   1.7124   61.140   9.6089   59.894   13.221   62.535   13.990   20.603   2.4363   21.020   2.5286 -0.4170666 3.511329 
1 1 1   31    1  -31 o   52.851   1.0560  377.694   14.990  368.880   21.026  386.804   21.376   52.049   1.5040   53.303   1.4931 -1.254799 2.119274 
1 1 1   31    1  -30 o   13.758   2.4355   27.018   8.6705   32.398   12.240   21.600   12.284   14.844   3.1666   12.086   3.5501 2.758492 4.757132 
1 1 1   31    1  -29 o   21.836   1.5978   65.332   9.3060   58.853   13.196   71.741   13.126   20.443   2.4522   22.701   2.1795 -2.257133 3.280783 
1 1 1   31    1  -28 o   11.259   2.8599   18.505   8.6654   15.196   12.177   21.900   12.334   10.515   3.5910   12.169   3.5524 -1.653787 5.051236 
1 1 1   31    1  -27 o   14.605   3.1582   31.328   12.028   29.390   16.599   33.470   17.455   13.938   4.1356   14.806   4.1969 -0.8677511 5.892109 
1 1 1   31    1  -26 o   11.466   2.8130   19.150   8.5977   25.942   12.185   12.416   12.133   13.220   3.4094   9.8854   3.5677 3.334946 4.934806 
1 1 1   31    1  -25 o   24.812   1.4075   83.856   9.3412   68.456   13.306   98.824   13.117   22.155   2.2680   26.817   1.8321 -4.661938 2.915532 
1 1 1   31    1  -24 o   19.229   1.7232   50.842   8.8056   66.629   12.743   36.413   12.182   21.887   2.1972   15.865   2.9679 6.021877 3.692705 
1 1 1   31    1  -23 o   10.937   3.4545   17.056   11.354   4.9415   15.751   30.158   16.381   9.2691   3.8479   14.169   4.0819 -4.899427 5.609608 
1 1 1   31    1  -22 o   17.003   1.9196   40.019   8.6129   52.548   12.845   29.786   11.609   19.320   2.5367   14.294   3.1120 5.025537 4.014906 
1 1 1   31    1  -21 o   29.606   1.2048  118.537   9.5804  124.896   13.746  112.531   13.360   30.239   1.6994   28.686   1.7422 1.552942 2.433707 
1 1 1   31    1  -20 f   42.096   1.0446  239.182   11.811  223.190   16.348  256.643   17.082   40.556   1.5008   43.500   1.4620 -2.944729 2.095214 
1 1 1   31    1  -19 o   50.071   1.0164  338.240   13.669  361.261   19.574  316.326   19.097   51.637   1.4113   48.301   1.4721 3.336666 2.039287 
1 1 1   31    1  -18 o   16.287   1.9576   36.700   8.3920   42.946   11.901   30.522   11.836   17.452   2.6197   14.518   3.1276 2.933882 4.079731 
1 1 1   31    1  -17 o   39.502   1.2608  210.934   13.377  219.957   18.844  201.766   18.994   40.218   1.7445   38.493   1.8371 1.725094 2.533419 
1 1 1   31    1  -16 o   10.306   2.7835   15.202   7.8859   16.905   11.188   13.521   11.117   10.963   3.4242   10.099   3.4313 0.8644609 4.847568 
1 1 1   31    1  -15 o   43.165   1.0306  251.258   11.948  242.301   17.024  259.953   16.773   42.291   1.4988   43.823   1.4250 -1.531754 2.068051 
1 1 1   31    1  -14 o   24.166   1.5944   79.519   10.290   54.571   15.496   99.201   13.764   19.610   3.0404   26.926   1.9156 -7.315737 3.593567 
1 1 1   31    1  -13 o   35.784   1.4565  173.328   13.999  166.351   24.015  176.919   17.230   34.672   2.5976   36.084   1.7778 -1.411907 3.147731 
1 1 1   31    1  -12 o   25.200   1.7498   86.636   11.770   77.210   18.958   92.548   15.014   23.391   3.0934   25.942   2.1748 -2.550510 3.781430 
1 1 1   31    1  -11 o   43.863   0.8210  259.005   9.6720  266.707   13.219  250.131   14.189   44.467   1.1068   43.041   1.2274 1.425583 1.652719 
1 1 1   31    1  -10 o   35.963   0.8885  174.177   8.5821  173.396   13.185  174.751   11.304   35.814   1.3707   35.986   1.1696 -0.1720543 1.801895 
1 1 1   31    1   -9 o   41.998   0.7635  237.360   8.6125  240.116   12.268  234.681   12.094   42.198   1.0824   41.718   1.0793 0.4798965 1.528558 
1 1 1   31    1   -8 o   37.848   0.7917  192.786   8.0477  184.947   11.286  200.895   11.478   37.028   1.1348   38.596   1.1073 -1.567574 1.585518 
1 1 1   31    1   -7 o   40.179   0.8719  217.365   9.4095  216.380   13.328  218.344   13.286   40.035   1.2395   40.218   1.2299 -0.1828995 1.746157 
1 1 1   31    1   -6 f   12.487   1.7231   21.537   5.6252   17.806   7.7393   25.716   8.1904   11.168   2.6245   13.530   2.3383 -2.362547 3.515094 
1 1 1   31    1   -5 o   32.067   0.9115  138.485   7.8504  140.612   10.485  135.772   11.842   32.279   1.2094   31.693   1.3912 0.5854836 1.843387 
1 1 1   31    1   -4 o   20.124   1.2723   54.896   6.8415   65.173   9.4530   43.592   9.9140   21.875   1.6204   17.763   2.1198 4.111595 2.668212 
1 1 1   31    1   -3 o   27.958   0.9860  105.309   7.4037  115.830   10.820   96.044   10.153   29.276   1.3760   26.615   1.4254 2.660799 1.981201 
1 1 1   31    1   -2 o   41.907   0.9766  236.594   10.992  231.280   17.291  240.198   14.240   41.333   1.5575   42.181   1.2569 -0.8481255 2.001436 
1 1 1   31    1   -1 o   12.511   1.8454   21.699   6.0152   13.420   8.6996   29.282   8.3261   9.8258   3.0114   14.493   2.2088 -4.666908 3.734652 
1 1 1   31    1    0 o   19.774   1.2270   52.970   6.4843   50.105   9.4820   55.486   8.8871   19.117   1.8706   20.169   1.6551 -1.051992 2.497686 
1 1 1   31    1    1 o   18.735   1.2650   47.600   6.3285   50.463   9.1208   44.943   8.7880   19.203   1.7890   18.104   1.8325 1.098751 2.560990 
1 1 1   31    1    2 o   43.308   0.8584  252.500   9.9846  237.762   14.060  267.493   14.181   41.968   1.2473   44.526   1.1858 -2.557690 1.721012 
1 1 1   31    1    3 o   31.517   0.9165  133.768   7.7585  131.617   10.932  135.951   11.013   31.218   1.3038   31.729   1.2922 -0.5114727 1.835713 
1 1 1   31    1    4 o   54.490   0.9058  399.834   13.257  400.747   17.790  398.694   19.879   54.492   1.2155   54.318   1.3626 0.1739693 1.825931 
1 1 1   31    1    5 o   46.081   0.8010  285.791   9.9146  292.868   14.086  278.842   13.958   46.600   1.1254   45.467   1.1430 1.132648 1.604011 
1 1 1   31    1    6 f   19.770   1.2607   52.983   6.6596   52.752   9.5442   53.202   9.2968   19.625   1.8318   19.722   1.7741 -0.9606361E-01 2.550063 
1 1 1   31    1    7 o   8.0730   2.4875   8.9447   5.9266  -5.8198   8.2606   24.607   8.5080   5.4150   2.4872   13.192   2.4925 -7.777113 3.521156 
1 1 1   31    1    8 o   20.685   1.2147   57.948   6.7187   54.679   9.4948   61.227   9.5087   19.991   1.7871   21.184   1.6851 -1.192282 2.456318 
1 1 1   31    1    9 o   7.1353   2.6646   5.3997   6.8628   7.5011   9.7046   3.2976   9.7063   8.4106   3.1631   7.4987   3.0568 0.9119077 4.398772 
1 1 1   31    1   10 o   15.121   1.6290   31.343   6.5117   30.138   9.2255   32.539   9.1925   14.646   2.4305   15.259   2.3156 -0.6137810 3.356963 
1 1 1   31    1   11 o   14.490   1.7000   28.866   6.4903   36.145   9.1047   21.346   9.2546   16.136   2.1545   12.193   2.8730 3.943532 3.591150 
1 1 1   31    1   12 o   32.243   0.9415  140.065   8.1537  151.489   11.617  128.971   11.447   33.484   1.2917   30.882   1.3801 2.601974 1.890231 
1 1 1   31    1   13 o   20.281   1.3540   55.856   7.3334   56.960   10.287   54.716   10.457   20.373   1.9019   19.946   1.9780 0.4263268 2.744015 
1 1 1   31    1   14 o   9.6403   2.4876   13.250   6.4841   21.213   8.9707   4.5385   9.3831   12.155   2.8048   7.6483   3.0446 4.506807 4.139637 
1 1 1   31    1   15 o   52.916   0.8227  377.033   11.692  380.501   16.521  373.553   16.550   53.090   1.1586   52.600   1.1714 0.4899445 1.647628 
1 1 1   31    1   16 o   20.922   1.2914   59.401   7.2214   63.620   10.186   55.137   10.240   21.559   1.7748   20.025   1.9276 1.533913 2.620208 
1 1 1   31    1   17 o   34.960   0.9232  164.719   8.6693  153.350   12.046  176.936   12.487   33.668   1.3320   36.174   1.2852 -2.505756 1.850952 
1 1 1   31    1   18 o   14.036   1.8623   27.298   6.8474   32.639   9.6781   21.944   9.6891   15.218   2.4510   12.317   2.9646 2.901589 3.846586 
1 1 1   31    1   19 o   24.478   1.1785   80.962   7.7479   79.684   10.801   82.316   11.120   24.153   1.6754   24.545   1.6972 -0.3921223 2.384814 
1 1 1   31    1   20 f   67.603   0.9428  616.290   17.119  605.494   24.047  627.381   24.375   66.869   1.3389   68.070   1.3332 -1.200218 1.889464 
1 1 1   31    1   21 o   4.9156   2.2443  -4.1055   6.5926   7.2538   9.5227 -14.5611   9.1361   8.2555   3.1268   4.7741   2.3121 3.481386 3.888770 
1 1 1   31    1   22 o   24.756   1.1907   82.893   7.9168   86.808   11.292   79.108   11.103   25.192   1.6785   24.029   1.7319 1.162418 2.411788 
1 1 1   31    1   23 o   26.296   1.1710   93.536   8.2709   84.248   11.821  102.443   11.576   24.778   1.7883   27.396   1.5799 -2.618181 2.386264 
1 1 1   31    1   24 o   21.799   1.5674   64.991   9.1160   56.432   14.768   70.261   11.587   19.892   2.8452   22.568   1.9301 -2.676050 3.438106 
1 1 1   31    1   25 o   37.042   0.9890  185.280   9.8397  177.965   14.611  191.350   13.311   36.175   1.5038   37.564   1.3193 -1.389851 2.000456 
1 1 1   31    1   26 o   25.734   1.4330   90.248   9.8651   72.803   13.091  113.171   15.006   22.888   2.1549   28.653   1.9618 -5.764742 2.914155 
1 1 1   31    1   27 o   18.148   1.5567   45.165   7.5143   36.872   10.666   53.337   10.588   16.093   2.5529   19.595   2.0418 -3.501841 3.268945 
1 1 1   31    1   28 o   38.455   1.0328  199.842   10.668  223.605   16.266  181.907   14.131   40.539   1.4938   36.582   1.4382 3.957394 2.073635 
1 1 1   31    1   29 o   32.524   1.1539  143.182   10.080  165.911   15.604  126.904   13.205   34.863   1.6664   30.464   1.6197 4.399635 2.323811 
1 1 1   31    1   30 o   37.176   1.0449  186.818   10.434  185.798   14.462  187.924   15.068   36.962   1.4567   37.155   1.5099 -0.1935349 2.098011 
1 1 1   31    1   31 o   21.121   1.5068   61.043   8.4920   57.933   11.386   64.940   12.747   20.393   2.1093   21.557   2.2341 -1.164116 3.072521 
1 1 1   31    1   32 o   20.791   1.5528   59.261   8.6087   57.824   11.644   60.993   12.785   20.342   2.1643   20.838   2.3240 -0.4954205 3.175699 
1 1 1   31    1   33 o   48.110   0.9721  312.834   12.562  309.747   16.706  316.851   19.054   47.750   1.3026   48.219   1.4712 -0.4685898 1.964985 
1 1 1   31    1   34 f   8.5259   2.9036   9.8189   7.9613 -10.3220   10.260   40.291   12.621   5.5750   2.6298   16.600   2.9381 -11.02508 3.943118 
1 1 1   31    1   35 o   25.348   1.2939   87.671   8.7797   85.609   12.092   89.970   12.768   24.856   1.8239   25.460   1.8805 -0.6037617 2.619740 
1 1 1   31    1   36 o   35.587   1.0442  171.738   9.9804  170.656   13.695  172.964   14.575   35.319   1.4436   35.518   1.5279 -0.1988716 2.101986 
1 1 1   31    1   37 o   11.482   3.0698   20.053   9.6500   26.990   15.257   15.427   12.459   12.996   3.9888   10.327   3.6270 2.669570 5.391253 
1 1 1   31    1   38 o   39.253   1.3250  210.990   13.969  192.888   19.485  230.135   20.038   37.062   1.9644   40.637   1.8359 -3.575623 2.688728 
1 1 1   31    1   39 o   16.994   2.1772   41.606   9.7091   44.412   13.623   38.709   13.841   17.017   3.0945   15.672   3.3869 1.345518 4.587729 
1 1 1   31    1   40 o   18.694   2.0172   50.040   9.9677   56.714   14.116   43.402   14.077   19.399   2.7894   16.597   3.2742 2.801981 4.301299 
1 1 1   31    1   41 o   8.2769   3.0933   9.2840   9.2523   5.7721   13.167   12.710   13.005   8.2679   3.4810   9.4654   3.6375 -1.197433 5.034766 
1 1 1   31    1   42 o   10.366   3.1143   17.325   9.3695   2.6613   13.039   32.979   13.472   7.6981   3.3555   13.971   3.5753 -6.273127 4.903301 
1 1 1   31    2  -34 o   12.599   3.5632   24.348   12.597   20.759   17.614   28.105   18.023   11.938   4.3000   13.367   4.3649 -1.428609 6.127163 
1 1 1   31    2  -33 o   23.263   2.2211   76.032   13.710   75.783   19.567   76.272   19.215   22.641   3.3159   22.764   3.2336 -0.1234608 4.631582 
1 1 1   31    2  -32 o   18.964   2.4687   51.116   12.277   63.091   17.764   40.168   16.986   20.685   3.3089   16.130   3.9517 4.555216 5.154101 
1 1 1   31    2  -31 o   16.439   2.1084   37.921   9.0945   42.173   12.587   33.276   13.155   17.071   2.8453   14.926   3.3621 2.145405 4.404489 
1 1 1   31    2  -30 f   22.470   1.5947   69.237   9.5615   62.749   13.442   75.883   13.604   21.104   2.4149   23.319   2.1979 -2.215189 3.265362 
1 1 1   31    2  -29 o   29.847   1.3016  120.900   10.434  119.951   14.732  121.856   14.781   29.512   1.8682   29.750   1.8590 -0.2378368 2.635554 
1 1 1   31    2  -28 o   4.8776   2.3075  -8.8334   8.0041  -3.3452   11.601 -13.8195   11.057   6.9122   3.0818   5.5410   2.6469 1.371248 4.062475 
1 1 1   31    2  -27 o   9.5624   2.9597   13.003   8.3799   12.407   11.921   13.586   11.782   9.8302   3.5378   10.081   3.5279 -0.2505226 4.996208 
1 1 1   31    2  -26 o   20.123   2.0221   56.237   10.781   59.925   17.654   54.044   13.615   20.227   3.3680   19.489   2.6713 0.7383575 4.298720 
1 1 1   31    2  -25 o   33.192   1.4038  149.693   12.515  151.990   15.337  145.115   21.652   33.307   1.7203   32.178   2.5255 1.128597 3.055724 
1 1 1   31    2  -24 o   24.127   1.4351   79.387   9.2577   81.701   12.882   76.915   13.313   24.309   1.9904   23.533   2.1293 0.7763233 2.914770 
1 1 1   31    2  -23 o   24.378   1.4584   81.059   9.5051   70.691   13.505   91.236   13.380   22.511   2.2644   25.716   1.9517 -3.204948 2.989378 
1 1 1   31    2  -22 o   10.427   3.1537   15.624   9.5845   21.286   11.961   5.4664   16.021   12.031   3.4944   9.3859   3.8872 2.644892 5.226979 
1 1 1   31    2  -21 o   20.357   1.8592   57.134   10.053   48.367   17.225   61.663   12.381   18.056   3.6767   21.041   2.2244 -2.985098 4.297198 
1 1 1   31    2  -20 o   25.086   1.5081   85.810   10.114   84.843   13.227   87.171   15.694   24.802   2.0027   25.015   2.3639 -0.2131100 3.098163 
1 1 1   31    2  -19 o   25.889   1.3506   91.073   9.3589   80.493   13.124  102.020   13.350   24.151   2.0423   27.276   1.8329 -3.124689 2.744219 
1 1 1   31    2  -18 o   6.8136   2.7602   3.0264   7.8557   5.6246   11.287   0.5855   10.940   8.3449   3.3338   7.3411   3.1352 1.003786 4.576383 
1 1 1   31    2  -17 o   14.158   2.4377   28.373   8.9352   30.613   13.812   26.762   11.717   14.405   3.5844   13.531   3.2621 0.8739958 4.846543 
1 1 1   31    2  -16 o   45.873   1.0346  283.954   12.747  289.248   18.314  278.980   17.754   46.185   1.4763   45.363   1.4571 0.8214989 2.074293 
1 1 1   31    2  -15 o   28.315   1.2477  108.393   9.4891  104.768   13.495  111.938   13.346   27.674   1.8258   28.632   1.7437 -0.9577560 2.524691 
1 1 1   31    2  -14 o   9.7340   2.8801   13.402   8.0589   22.551   11.349   4.0981   11.445   12.452   3.3292   8.1252   3.3166 4.326576 4.699274 
1 1 1   31    2  -13 o   58.801   1.0032  466.255   15.845  441.758   22.226  491.568   22.594   57.108   1.4490   60.260   1.3959 -3.152126 2.012055 
1 1 1   31    2  -12 o   24.394   1.7863   81.357   11.622   58.102   19.020   95.213   14.682   19.994   3.6774   26.317   2.0945 -6.322741 4.232008 
1 1 1   31    2  -11 o   69.401   0.8531  648.694   15.903  666.773   25.074  636.526   20.570   70.218   1.3295   68.678   1.1151 1.540703 1.735219 
1 1 1   31    2  -10 o   17.231   1.3714   40.412   6.2946   43.184   10.222   38.718   7.9889   17.637   2.2060   16.782   1.8005 0.8555241 2.847527 
1 1 1   31    2   -9 o   34.546   0.8631  160.725   8.0085  169.520   11.249  151.686   11.404   35.434   1.1819   33.506   1.2672 1.928944 1.732876 
1 1 1   31    2   -8 o   23.929   1.0688   77.225   6.8692   75.771   9.0935   79.157   10.483   23.618   1.4404   24.105   1.6287 -0.4865799 2.174261 
1 1 1   31    2   -7 o   25.619   1.0431   88.502   7.1774   84.552   9.2873   94.359   11.310   24.964   1.3906   26.333   1.6067 -1.369013 2.124928 
1 1 1   31    2   -6 o   14.859   1.4705   30.172   5.7918   30.727   8.0815   29.585   8.3049   14.871   2.0802   14.561   2.1914 0.3101702 3.021505 
1 1 1   31    2   -5 o   69.434   0.8044  648.975   15.002  650.126   21.198  647.819   21.234   69.413   1.1370   69.289   1.1410 0.1244431 1.610765 
1 1 1   31    2   -4 o   4.8027   2.1510  -2.4505   5.7206  -7.5117   7.6359   4.0241   8.6365   4.9156   2.3029   7.3188   2.9186 -2.403216 3.717766 
1 1 1   31    2   -3 o   41.167   0.8694  228.215   9.6133  229.988   12.589  225.734   14.889   41.287   1.1352   40.863   1.3566 0.4240990 1.768944 
1 1 1   31    2   -2 o   15.606   1.6294   33.367   6.7292   36.247   8.5018   28.537   11.010   16.196   1.9967   14.100   2.9995 2.095835 3.603279 
1 1 1   31    2   -1 o   31.032   0.9332  129.732   7.7784  131.056   10.773  128.290   11.242   31.146   1.2878   30.806   1.3587 0.3407898 1.872052 
1 1 1   31    2    0 o   10.031   2.2929   14.300   6.0427   19.078   8.5688   9.5733   8.5227   11.534   2.7952   8.6830   3.0026 2.851379 4.102273 
1 1 1   31    2    1 o   32.566   0.9364  142.872   8.1906  143.304   12.151  142.513   11.089   32.553   1.3897   32.482   1.2710 0.7164001E-01 1.883249 
1 1 1   31    2    2 o   52.404   0.8987  369.867   12.650  393.635   19.193  351.616   16.820   53.969   1.3241   51.030   1.2272 2.939186 1.805291 
1 1 1   31    2    3 o   8.2190   2.5213   9.3097   6.0967   5.0911   8.8772   13.076   8.3877   7.6319   2.9851   9.6820   2.9551 -2.050068 4.200421 
1 1 1   31    2    4 o   16.456   1.5418   36.995   6.7355   42.831   10.286   32.615   8.9117   17.568   2.2302   15.294   2.2355 2.274199 3.157698 
1 1 1   31    2    5 o   24.942   1.1953   83.984   8.0073  103.136   13.643   73.920   9.8899   27.479   1.8595   23.301   1.5897 4.177677 2.446410 
1 1 1   31    2    6 o   39.070   1.0140  205.770   10.641  198.495   14.733  213.702   15.384   38.301   1.4322   39.739   1.4413 -1.438141 2.031880 
1 1 1   31    2    7 o   14.968   1.7015   30.791   6.7190   27.189   9.7084   34.103   9.3083   13.817   2.7128   15.630   2.2848 -1.812725 3.546772 
1 1 1   31    2    8 o   39.764   1.0108  213.159   10.795  216.149   15.920  210.613   14.687   39.953   1.4836   39.459   1.3858 0.4942703 2.030110 
1 1 1   31    2    9 o   43.806   0.8711  258.460   10.249  259.773   14.993  257.308   14.042   43.846   1.2731   43.653   1.1977 0.1931229 1.747949 
1 1 1   31    2   10 o   31.311   0.9716  132.139   8.1713  138.307   12.003  126.812   11.155   31.971   1.3978   30.620   1.3564 1.350750 1.947723 
1 1 1   31    2   11 o   46.923   0.8545  296.541   10.769  290.897   15.644  301.625   14.848   46.397   1.2553   47.264   1.1696 -0.8670082 1.715746 
1 1 1   31    2   12 o   16.163   1.6142   35.793   6.9141   38.451   9.8544   33.215   9.7034   16.606   2.2687   15.371   2.4312 1.235461 3.325359 
1 1 1   31    2   13 o   19.525   1.4469   51.916   7.5339   56.304   11.063   48.120   10.289   20.199   2.0682   18.652   2.0896 1.546589 2.940048 
1 1 1   31    2   14 o   46.993   0.8724  297.521   11.012  289.588   16.121  304.461   15.077   46.273   1.2971   47.474   1.1824 -1.201584 1.755161 
1 1 1   31    2   15 o   36.373   0.9474  178.362   9.2556  178.144   13.489  178.555   12.723   36.271   1.3846   36.330   1.3039 -0.5871582E-01 1.901917 
1 1 1   31    2   16 o   9.1590   2.6737   11.867   6.9868   16.044   10.253   8.2468   9.5461   10.640   3.2707   8.5119   3.1497 2.128599 4.540710 
1 1 1   31    2   17 o   15.923   1.7216   34.902   7.2458   38.064   10.632   32.159   9.9013   16.434   2.4863   15.064   2.5373 1.369746 3.552390 
1 1 1   31    2   18 o   44.496   0.9117  266.948   10.896  273.721   16.156  261.298   14.758   44.954   1.3381   43.946   1.2503 1.008205 1.831287 
1 1 1   31    2   19 o   14.004   2.3556   27.740   8.5456   34.949   12.660   21.707   11.582   15.504   3.1477   12.176   3.4073 3.327728 4.638764 
1 1 1   31    2   20 o   7.3500   2.7164   6.0947   7.0960  -5.2943   10.061   17.366   10.009   6.1507   2.7944   10.956   3.2008 -4.805298 4.248975 
1 1 1   31    2   21 o   25.376   1.2280   87.184   8.3702   92.147   12.117   82.655   11.576   25.925   1.7504   24.542   1.7679 1.382694 2.487868 
1 1 1   31    2   22 o   32.080   1.1426  139.212   9.8448  138.184   15.207  139.953   12.917   31.747   1.7906   32.082   1.4990 -0.3345890 2.335285 
1 1 1   31    2   23 o   8.4717   2.8112   9.7018   7.4649  -5.7959   10.526   25.381   10.588   6.2377   2.8433   13.156   3.0549 -6.918705 4.173330 
1 1 1   31    2   24 o   23.941   1.3272   77.996   8.5006   71.212   11.592   85.890   12.504   22.709   1.9184   24.967   1.8783 -2.258356 2.684858 
1 1 1   31    2   25 o   13.529   2.0870   25.755   7.3395   23.686   10.495   27.735   10.268   12.682   3.1058   13.809   2.8624 -1.127336 4.223711 
1 1 1   31    2   26 o   11.081   2.5328   17.765   7.3740   23.308   10.347   12.044   10.512   12.580   3.0856   9.5428   3.3326 3.037663 4.541768 
1 1 1   31    2   27 o   41.363   0.9371  230.997   10.410  227.487   14.612  234.615   14.836   40.938   1.3289   41.575   1.3286 -0.6365471 1.879128 
1 1 1   31    2   28 o   5.0896   2.3502  -5.5668   7.5149 -11.9751   10.045   2.5792   11.325   5.3493   2.5463   7.7392   3.2419 -2.389860 4.122323 
1 1 1   31    2   29 o   16.462   2.2183   38.112   9.5587   25.943   12.232   57.195   15.318   13.183   3.4239   19.925   2.9516 -6.741814 4.520540 
1 1 1   31    2   30 f   36.724   1.0706  182.446   10.560  181.579   13.955  183.607   16.155   36.535   1.4221   36.661   1.6406 -0.1259155 2.171191 
1 1 1   31    2   31 o   11.430   2.6591   19.055   8.0096   12.804   10.766   26.805   11.987   9.7289   3.3741   13.385   3.3439 -3.656479 4.750400 
1 1 1   31    2   32 o   7.8895   2.8558   7.6594   7.7824   5.9393   10.579   9.6881   11.489   8.1297   3.2339   9.1043   3.4378 -0.9746056 4.719838 
1 1 1   31    2   33 o   19.031   1.8158   50.284   9.1686   38.103   11.446   72.097   15.317   16.203   2.7268   22.476   2.5842 -6.272799 3.756800 
1 1 1   31    2   34 o   13.457   2.3855   26.130   8.3063   37.789   11.060   11.049   12.579   16.133   2.6441   9.5019   3.5950 6.631047 4.462679 
1 1 1   31    2   35 o   9.7111   2.8097   13.964   7.7463   6.1945   10.675   22.604   11.258   8.1080   3.2410   12.140   3.3454 -4.031833 4.657880 
1 1 1   31    2   36 o   9.5958   3.1023   13.574   9.1156   25.542   13.110   2.3714   12.684   12.717   3.6481   7.8747   3.3697 4.842800 4.966292 
1 1 1   31    2   37 o   17.983   2.0358   46.006   9.6602   31.321   13.573   61.080   13.752   14.003   3.5914   20.441   2.5611 -6.437213 4.411038 
1 1 1   31    2   38 o   28.908   1.4660  115.605   11.345  115.515   18.662  115.658   14.289   28.137   2.4953   28.657   1.8666 -0.5204334 3.116176 
1 1 1   31    2   39 o   25.068   1.6950   88.202   11.346   87.303   17.751   88.823   14.752   24.080   2.7967   24.764   2.2422 -0.6843090 3.584586 
1 1 1   31    2   40 o   25.178   1.5836   88.817   10.655   96.916   15.229   81.052   14.912   25.804   2.2189   23.430   2.4036 2.373913 3.271240 
1 1 1   31    2   41 o   24.997   1.5863   87.913   10.595   99.662   15.342   77.199   14.650   26.079   2.2111   22.734   2.4372 3.344965 3.290712 
1 1 1   31    3  -33 o   21.432   2.4156   65.573   13.663   61.221   18.918   70.318   19.753   19.974   3.6612   21.519   3.5407 -1.545635 5.093227 
1 1 1   31    3  -32 o   6.9455   3.0765  -2.1016   11.375  -2.7738   16.079  -1.4283   16.093   8.1457   3.6302   8.3085   3.6709 -0.1628408 5.162754 
1 1 1   31    3  -31 o   24.919   2.0511   86.552   13.606   93.106   19.131   79.844   19.355   25.435   2.8493   23.354   3.1673 2.081444 4.260304 
1 1 1   31    3  -30 o   41.251   1.1340  230.608   12.565  232.497   17.969  228.802   17.576   41.226   1.6228   40.907   1.5997 0.3183327 2.278695 
1 1 1   31    3  -29 o   13.826   2.5309   27.510   9.0522   49.324   13.165   7.9454   12.467   18.540   2.7249   8.9665   3.5284 9.573780 4.458111 
1 1 1   31    3  -28 o   32.506   1.2515  143.344   10.926  131.103   15.459  155.564   15.445   30.841   1.8751   33.674   1.7134 -2.832733 2.539983 
1 1 1   31    3  -27 o   28.825   1.3306  112.835   10.302  118.063   14.718  107.813   14.425   29.266   1.8823   27.942   1.9339 1.324322 2.698734 
1 1 1   31    3  -26 o   11.771   2.7310   20.199   8.4674   29.746   12.307   11.618   11.668   14.149   3.2992   9.6036   3.4936 4.545653 4.805179 
1 1 1   31    3  -25 o   13.213   2.8189   25.444   9.6988   39.686   16.560   18.007   11.966   16.160   3.8669   11.152   3.5490 5.007412 5.248659 
1 1 1   31    3  -24 o   21.317   1.9231   62.891   10.892   67.781   13.092   51.897   19.631   22.021   2.2449   18.436   4.0729 3.584988 4.650626 
1 1 1   31    3  -23 o   6.1474   2.7524  -3.3432   9.3587   4.0935   11.821 -15.8352   15.320   8.1373   3.3516   6.7307   3.1866 1.406520 4.624689 
1 1 1   31    3  -22 o   39.427   1.1130  210.322   11.787  204.323   16.597  216.426   16.742   38.710   1.5964   39.852   1.5641 -1.142044 2.234878 
1 1 1   31    3  -21 o   17.198   2.1996   41.453   9.9275   41.405   12.346   41.542   16.700   16.975   2.8057   16.595   3.8251 0.3798962 4.743762 
1 1 1   31    3  -20 o   18.177   2.1631   46.149   10.353   31.226   15.200   59.064   14.140   14.388   3.8553   20.418   2.6402 -6.030103 4.672743 
1 1 1   31    3  -19 o   28.061   1.5273  107.428   11.468  108.592   19.360  106.799   14.233   27.797   2.6241   27.855   1.9141 -0.5765533E-01 3.247997 
1 1 1   31    3  -18 o   21.505   1.5686   63.251   8.9977   60.614   12.715   65.896   12.734   20.829   2.3118   21.763   2.2091 -0.9335041 3.197591 
1 1 1   31    3  -17 o   38.285   1.0933  198.071   11.243  190.736   15.941  205.330   15.859   37.441   1.5851   38.868   1.5191 -1.426529 2.195544 
1 1 1   31    3  -16 o   44.742   1.0397  270.306   12.494  263.142   17.534  277.695   17.808   44.022   1.4829   45.229   1.4660 -1.206532 2.085193 
1 1 1   31    3  -15 o   17.255   1.8562   41.097   8.4671   37.303   12.440   44.372   11.557   16.092   2.9882   17.753   2.4924 -1.661617 3.891205 
1 1 1   31    3  -14 o   36.116   1.1180  176.207   10.845  171.529   15.580  180.605   15.106   35.515   1.6333   36.467   1.5423 -0.9521408 2.246385 
1 1 1   31    3  -13 o   24.439   1.3831   81.165   9.0412   88.961   13.111   74.095   12.484   25.450   1.9324   23.188   2.0248 2.262383 2.798973 
1 1 1   31    3  -12 o   21.974   1.5413   65.850   9.0394   53.746   12.799   77.897   12.768   19.591   2.4884   23.787   2.0175 -4.195581 3.203525 
1 1 1   31    3  -11 o   41.822   0.7639  235.498   8.5810  239.307   11.811  231.239   12.488   42.112   1.0442   41.381   1.1236 0.7315216 1.533881 
1 1 1   31    3  -10 o   36.043   0.8813  175.045   8.5318  172.300   14.110  176.627   10.712   35.653   1.4735   36.171   1.1026 -0.5187187 1.840356 
1 1 1   31    3   -9 o   45.777   0.8380  282.258   10.303  270.914   14.608  293.487   14.534   44.775   1.2147   46.615   1.1608 -1.840618 1.680174 
1 1 1   31    3   -8 o   21.719   1.1827   63.903   6.8734   61.755   11.400   65.130   8.6154   21.171   2.0298   21.875   1.4750 -0.7039700 2.509082 
1 1 1   31    3   -7 o   30.820   0.8713  127.961   7.2125  129.243   10.302  126.727   10.102   30.925   1.2402   30.624   1.2281 0.3005657 1.745398 
1 1 1   31    3   -6 o   38.792   0.8437  202.672   8.7901  207.045   12.120  197.820   12.767   39.159   1.1523   38.260   1.2424 0.8989487 1.694543 
1 1 1   31    3   -5 o   48.314   0.8153  314.322   10.580  312.912   14.450  315.953   15.534   48.149   1.1173   48.365   1.1958 -0.2157822 1.636583 
1 1 1   31    3   -4 o   43.764   0.8729  257.996   10.261  257.427   13.182  258.870   16.344   43.672   1.1238   43.736   1.3914 -0.6372070E-01 1.788528 
1 1 1   31    3   -3 o   23.925   1.4364   77.775   9.1877   79.154   11.241   75.001   15.946   24.070   1.7507   23.187   2.6056 0.8824482 3.139122 
1 1 1   31    3   -2 o   29.946   1.0246  120.930   8.2413  126.955   10.508  111.300   13.285   30.648   1.2765   28.567   1.7397 2.081081 2.157758 
1 1 1   31    3   -1 o   30.937   0.9881  129.026   8.2100  134.059   10.838  122.248   12.576   31.493   1.2813   29.986   1.5669 1.506870 2.024092 
1 1 1   31    3    0 o   8.5036   2.5149   10.118   6.1457   6.5786   8.4059   14.183   9.0081   7.8511   2.9456   10.049   3.0614 -2.198036 4.248374 
1 1 1   31    3    1 o   18.303   1.4716   45.658   7.1732   44.690   9.9275   46.715   10.376   17.972   2.0960   18.367   2.1437 -0.3957481 2.998101 
1 1 1   31    3    2 o   26.524   1.0138   94.864   7.2227   98.433   10.253   91.349   10.176   26.929   1.4227   25.930   1.4671 0.9987164 2.043624 
1 1 1   31    3    3 o   22.539   1.1460   68.751   6.9146   77.087   9.7642   60.365   9.7935   23.799   1.5357   21.003   1.7520 2.795708 2.329806 
1 1 1   31    3    4 o   7.3683   2.5223   6.9115   6.0079   11.272   8.5133   2.5856   8.4796   9.1469   3.0006   6.9462   2.8472 2.200665 4.136445 
1 1 1   31    3    5 o   30.027   0.9523  121.530   7.6808  119.638   10.815  123.454   10.910   29.738   1.3541   30.210   1.3446 -0.4720879 1.908229 
1 1 1   31    3    6 o   42.734   0.8283  245.932   9.5069  248.402   13.497  243.501   13.393   42.888   1.1717   42.462   1.1743 0.4257431 1.658872 
1 1 1   31    3    7 o   27.204   1.0323   99.823   7.5425  103.662   10.805   96.173   10.534   27.624   1.4614   26.601   1.4802 1.023470 2.080097 
1 1 1   31    3    8 o   61.195   0.9467  504.789   15.560  511.339   23.153  499.393   21.012   61.454   1.4027   60.771   1.2873 0.6830521 1.903883 
1 1 1   31    3    9 o   56.788   0.8478  434.399   12.932  440.322   17.862  427.875   18.747   57.097   1.1647   56.262   1.2406 0.8343239 1.701660 
1 1 1   31    3   10 o   47.122   0.8437  299.109   10.679  285.252   14.983  313.416   15.224   45.942   1.2142   48.166   1.1768 -2.223873 1.690873 
1 1 1   31    3   11 o   46.744   0.8495  294.362   10.665  295.838   15.008  292.857   15.159   46.789   1.1942   46.548   1.2125 0.2407722 1.701830 
1 1 1   31    3   12 o   7.2525   2.6602   5.9717   6.7851   2.1187   9.6546   9.7320   9.5377   7.2191   3.0060   8.8773   3.1677 -1.658168 4.366951 
1 1 1   31    3   13 o   31.196   0.9882  131.282   8.2798  135.065   11.719  127.511   11.700   31.575   1.3818   30.672   1.4203 0.9032173 1.981540 
1 1 1   31    3   14 o   26.540   1.0922   95.128   7.7856  100.167   10.906   89.890   11.119   27.126   1.5027   25.663   1.6214 1.462557 2.210653 
1 1 1   31    3   15 o   12.263   2.1199   21.188   6.7298   22.614   9.5677   19.791   9.4679   12.486   2.9072   11.668   3.0033 0.8175936 4.179946 
1 1 1   31    3   16 o   6.9904   2.6133   5.2783   6.6049  -9.2274   9.2003   20.705   9.4879   5.3380   2.5094   11.927   2.9724 -6.589145 3.890022 
1 1 1   31    3   17 o   21.374   1.3173   62.137   7.5256   69.968   10.547   54.012   10.742   22.580   1.7527   19.738   2.0564 2.842039 2.701973 
1 1 1   31    3   18 o   26.631   1.1846   95.968   8.4733   92.695   12.799   98.521   11.305   25.972   1.8468   26.862   1.5739 -0.8898220 2.426483 
1 1 1   31    3   19 o   35.512   1.0167  170.338   9.6979  178.927   12.944  159.349   14.642   36.323   1.3268   34.205   1.5937 2.118492 2.073735 
1 1 1   31    3   20 o   5.2637   2.3637  -2.9179   6.9563   1.0859   9.7005  -7.1565   9.9810   7.0021   2.9701   5.8686   2.7094 1.133467 4.020275 
1 1 1   31    3   21 o   29.822   1.1521  120.368   9.2284  125.370   13.514  115.997   12.633   30.262   1.6690   29.121   1.6215 1.141026 2.326995 
1 1 1   31    3   22 o   20.244   1.6408   56.279   8.8453   53.911   11.068   60.465   14.716   19.664   2.1296   20.609   2.7254 -0.9451809 3.458739 
1 1 1   31    3   23 o   9.5118   2.7806   13.006   7.5516   26.334   10.274  -2.6595   11.138   13.419   2.9324   6.8590   3.0410 6.559938 4.224519 
1 1 1   31    3   24 o   31.269   1.1253  132.340   9.4511  133.601   12.596  130.715   14.297   31.324   1.4971   30.867   1.7315 0.4571838 2.288986 
1 1 1   31    3   25 o   8.0514   2.8590   8.1586   7.7601   5.8365   10.336   11.158   11.748   8.0850   3.2028   9.5153   3.4988 -1.430294 4.743361 
1 1 1   31    3   26 o   17.831   1.6650   43.801   7.8818   54.601   11.016   32.474   11.282   19.788   2.1051   14.932   2.9176 4.855780 3.597716 
1 1 1   31    3   27 o   18.484   1.6080   46.969   7.9037   51.012   10.863   42.421   11.521   19.100   2.1551   17.253   2.5642 1.846872 3.349565 
1 1 1   31    3   28 o   31.667   1.4390  136.485   12.240  137.953   14.568  132.960   22.570   31.704   1.7171   30.602   2.7762 1.102751 3.264299 
1 1 1   31    3   29 o   20.450   1.6161   57.487   8.8047   57.633   11.490   57.279   13.704   20.304   2.1391   20.055   2.6057 0.2487869 3.371221 
1 1 1   31    3   30 o   37.648   1.0536  191.842   10.654  201.748   14.139  178.827   16.207   38.505   1.3671   36.136   1.6698 2.369114 2.158071 
1 1 1   31    3   31 o   15.160   2.1166   32.451   8.3834   35.918   11.380   28.338   12.396   15.699   2.8017   13.693   3.3888 2.005675 4.397025 
1 1 1   31    3   32 o   8.8807   2.8676   11.172   7.7907   5.0782   10.634   18.231   11.446   7.9302   3.2118   11.065   3.4647 -3.134843 4.724387 
1 1 1   31    3   33 o   31.641   1.1698  136.092   9.9416  136.676   13.284  135.349   14.990   31.558   1.5672   31.254   1.7931 0.3036366 2.381464 
1 1 1   31    3   34 o   6.9086   2.7565   4.2148   7.7074   3.5974   10.851   4.8435   10.950   7.6386   3.1842   7.8902   3.2350 -0.2515759 4.539186 
1 1 1   31    3   35 o   24.222   1.5612   81.207   10.102   79.061   14.204   83.404   14.372   23.511   2.2778   24.177   2.2385 -0.6666546 3.193663 
1 1 1   31    3   36 o   22.228   1.7223   69.113   10.202   58.636   14.065   80.748   14.822   19.898   2.7015   23.634   2.3668 -3.736195 3.591611 
1 1 1   31    3   37 o   17.616   2.0909   44.625   9.6999   48.252   13.426   40.664   14.030   17.814   2.9061   16.009   3.3695 1.805531 4.449578 
1 1 1   31    3   38 o   27.444   1.7082  105.896   12.529  100.936   19.174  109.591   16.551   25.841   2.8078   27.465   2.2638 -1.623852 3.606704 
1 1 1   31    3   39 o   15.217   3.0193   36.539   11.905   39.895   22.993   35.309   13.915   14.126   4.9292   14.505   3.5908 -0.3792295 6.098431 
1 1 1   31    3   40 o   8.2304   3.1902   9.0694   10.069   19.246   16.371   2.8777   12.769   10.670   4.0857   7.6246   3.3221 3.045165 5.265872 
1 1 1   31    4  -32 o   15.323   3.1106   35.413   12.365   19.999   17.541   50.638   17.432   11.672   4.2778   18.016   3.7256 -6.343707 5.672695 
1 1 1   31    4  -31 o   15.464   3.1606   35.907   12.684   39.282   17.259   31.944   18.703   15.721   4.0593   14.087   4.4318 1.633996 6.009891 
1 1 1   31    4  -30 o   11.319   3.5722   19.132   12.142   21.367   16.632   16.580   17.768   12.028   4.1925   11.249   4.2687 0.7789660 5.983202 
1 1 1   31    4  -29 o   11.966   3.1488   21.399   10.257   26.506   17.487   18.721   12.665   13.144   4.2999   11.276   3.6578 1.868093 5.645201 
1 1 1   31    4  -28 f   23.255   1.5729   74.227   9.7667   60.690   13.492   89.131   14.157   20.682   2.4781   25.287   2.1034 -4.604778 3.250447 
1 1 1   31    4  -27 o   27.270   1.3939  101.448   10.175  113.869   14.628   89.803   14.163   28.704   1.9083   25.402   2.0946 3.302465 2.833490 
1 1 1   31    4  -26 o   5.3758   2.4841  -6.1574   8.4168  -1.0928   12.137 -10.8501   11.683   7.3736   3.2250   6.0343   2.8339 1.339317 4.293198 
1 1 1   31    4  -25 o   20.655   1.7281   58.795   9.4989   88.512   14.141   34.362   12.822   25.229   2.1061   15.235   3.2336 9.994804 3.859018 
1 1 1   31    4  -24 o   40.220   1.2256  219.358   13.239  199.291   19.885  235.337   17.744   38.007   1.9545   41.522   1.5911 -3.514202 2.520236 
1 1 1   31    4  -23 o   24.657   1.5769   83.279   10.388   83.465   16.024   83.145   13.644   24.337   2.4862   24.454   2.0976 -0.1172848 3.252864 
1 1 1   31    4  -22 o   25.178   1.7988   87.310   12.084   92.461   13.963   71.940   24.121   25.827   2.0292   21.619   4.3052 4.207884 4.759410 
1 1 1   31    4  -21 f   12.020   2.7818   21.101   8.8033   9.1397   12.041   34.838   12.904   9.1376   3.5028   15.357   3.2306 -6.219816 4.765099 
1 1 1   31    4  -20 o   17.973   2.0391   45.027   9.6692   48.358   12.295   39.627   15.654   18.454   2.5486   16.227   3.6767 2.226477 4.473651 
1 1 1   31    4  -19 o   16.066   2.3294   36.473   9.7584   37.665   11.973   34.116   16.842   16.138   2.8672   14.930   4.0825 1.208020 4.988740 
1 1 1   31    4  -18 o   16.901   1.9563   39.723   8.7163   42.577   12.186   36.734   12.472   17.246   2.7210   15.878   3.0352 1.367606 4.076302 
1 1 1   31    4  -17 o   29.902   1.4403  121.536   11.568  109.439   19.664  127.938   14.305   27.865   2.6597   30.545   1.7509 -2.679955 3.184268 
1 1 1   31    4  -16 o   37.385   1.2608  189.397   12.660  205.173   21.534  181.064   15.650   38.558   2.0870   36.454   1.5984 2.104572 2.628813 
1 1 1   31    4  -15 o   34.647   1.1298  162.351   10.514  159.362   15.174  165.110   14.580   34.190   1.6524   34.830   1.5586 -0.6398010 2.271478 
1 1 1   31    4  -14 o   50.616   1.0173  345.981   13.830  337.929   19.539  354.063   19.577   49.878   1.4585   51.067   1.4273 -1.189106 2.040688 
1 1 1   31    4  -13 o   28.355   1.2354  108.833   9.4086  105.279   13.292  112.402   13.319   27.711   1.7955   28.655   1.7388 -0.9435635 2.499480 
1 1 1   31    4  -12 o   29.717   1.2028  119.468   9.6000  126.069   13.587  112.888   13.566   30.380   1.6716   28.714   1.7676 1.665800 2.432796 
1 1 1   31    4  -11 o   30.444   0.8253  124.888   6.7487  127.755   9.8012  122.304   9.3063   30.736   1.1872   30.079   1.1519 0.6567650 1.654224 
1 1 1   31    4  -10 o   29.729   0.9314  119.194   7.4369  118.574   9.5920  120.128   11.775   29.610   1.2061   29.752   1.4735 -0.1420517 1.904200 
1 1 1   31    4   -9 o   16.246   1.3408   35.986   5.7983   30.753   8.6458   40.263   7.8168   14.801   2.2453   17.111   1.7243 -2.310449 2.830996 
1 1 1   31    4   -8 o   57.305   0.9577  442.903   14.741  450.665   24.573  438.539   18.424   57.590   1.5886   56.951   1.2045 0.6385231 1.993585 
1 1 1   31    4   -7 o   8.3262   2.4314   9.7573   5.7771   12.481   8.9713   7.8275   7.5510   9.5254   3.0774   7.9657   2.8211 1.559630 4.174795 
1 1 1   31    4   -6 o   64.110   0.7955  553.560   13.699  532.352   19.256  575.294   19.493   62.774   1.1420   65.267   1.1120 -2.492737 1.593956 
1 1 1   31    4   -5 o   65.744   0.8030  582.156   14.179  578.257   20.023  586.078   20.081   65.428   1.1394   65.870   1.1350 -0.4424591 1.608280 
1 1 1   31    4   -4 o   6.5577   2.4578   4.5291   5.8493 -13.2301   8.2589   22.402   8.2854   4.5435   2.1999   12.523   2.5500 -7.979026 3.367787 
1 1 1   31    4   -3 o   28.686   1.0081  111.007   7.7667  116.068   10.347  104.475   11.754   29.286   1.3154   27.693   1.5869 1.592918 2.061229 
1 1 1   31    4   -2 o   18.407   1.3625   46.122   6.6884   54.852   9.3899   37.131   9.5295   19.998   1.7663   16.308   2.2344 3.689974 2.848228 
1 1 1   31    4   -1 o   22.897   1.2552   71.107   7.6902   79.477   10.070   59.398   11.911   24.149   1.5609   20.710   2.1738 3.439316 2.676174 
1 1 1   31    4    0 o   10.127   2.5384   14.703   6.8908   7.5359   8.7976   26.078   11.084   8.1712   3.0237   13.395   3.1361 -5.223472 4.356339 
1 1 1   31    4    1 o   31.896   1.0353  137.274   8.8691  133.389   11.010  144.456   14.969   31.398   1.3055   32.542   1.7187 -1.144085 2.158298 
1 1 1   31    4    2 o   28.057   1.1498  106.335   8.6649  104.328   10.506  110.604   15.321   27.714   1.4162   28.374   2.0237 -0.6601028 2.469971 
1 1 1   31    4    3 o   20.582   1.3899   57.634   7.6389   63.314   9.7632   48.669   12.266   21.510   1.7038   18.623   2.5168 2.887133 3.039280 
1 1 1   31    4    4 o   8.1381   2.6370   8.9476   6.5836   8.8808   8.5185   9.0468   10.375   8.4603   2.9964   8.8764   3.2838 -0.4160633 4.445364 
1 1 1   31    4    5 o   38.448   0.9196  199.278   9.4963  203.603   12.740  193.871   14.245   38.806   1.2223   37.828   1.4020 0.9788055 1.860041 
1 1 1   31    4    6 o   14.208   1.8573   27.979   6.9182   33.981   8.9549   19.094   10.896   15.593   2.1992   11.495   3.3341 4.097804 3.994086 
1 1 1   31    4    7 o   32.303   1.1573  140.998   10.041  142.175   12.917  139.202   15.961   32.373   1.4856   31.886   1.8718 0.4866009 2.389708 
1 1 1   31    4    8 o   37.571   0.9434  190.363   9.5203  189.245   12.556  191.875   14.601   37.402   1.2499   37.615   1.4452 -0.2129173 1.910732 
1 1 1   31    4    9 o   15.683   1.7792   33.938   7.3619   32.872   9.6295   35.438   11.421   15.259   2.4311   15.741   2.8040 -0.4820061 3.711197 
1 1 1   31    4   10 o   13.099   2.4944   24.460   8.4553   24.597   10.575   24.219   14.078   12.992   3.0778   12.843   3.8082 0.1488533 4.896444 
1 1 1   31    4   11 o   5.2805   2.3855  -3.5565   7.2096  -7.6347   9.1964   2.9471   11.613   5.5273   2.5688   7.9331   3.2995 -2.405828 4.181592 
1 1 1   31    4   12 o   22.243   1.3384   67.286   7.9589   71.951   10.381   60.635   12.396   22.919   1.6985   20.871   2.2466 2.047503 2.816404 
1 1 1   31    4   13 o   30.744   1.0597  127.684   8.7505  124.979   11.610  131.240   13.314   30.346   1.4245   31.013   1.6038 -0.6677017 2.145080 
1 1 1   31    4   14 o   17.926   1.5796   44.056   7.5275   43.255   9.8407   45.187   11.687   17.617   2.1224   17.890   2.5005 -0.2729607 3.279855 
1 1 1   31    4   15 o   28.290   1.1275  108.237   8.5669  106.385   11.201  110.847   13.298   27.933   1.4984   28.438   1.7494 -0.5049400 2.303396 
1 1 1   31    4   16 o   19.313   1.5217   51.052   7.8297   52.288   10.286   49.350   12.073   19.416   2.0011   18.705   2.4630 0.7107601 3.173436 
1 1 1   31    4   17 o   35.878   1.1257  174.152   10.848  164.981   14.481  185.881   16.376   34.806   1.5489   36.910   1.6518 -2.103851 2.264450 
1 1 1   31    4   18 o   12.816   2.5252   23.619   8.3836   17.021   11.420   31.331   12.346   10.889   3.4673   14.568   3.2392 -3.679232 4.744988 
1 1 1   31    4   19 o   9.3982   2.8350   12.617   7.7529   23.022   11.854   4.8399   10.249   12.443   3.4344   7.8652   3.1644 4.578001 4.669993 
1 1 1   31    4   20 o   8.1299   2.7781   8.7221   7.2881   15.911   10.145   1.0558   10.477   10.504   3.2575   7.2250   3.0764 3.279087 4.480565 
1 1 1   31    4   21 f   4.5790   2.1906 -10.0341   7.6326 -10.3361   10.126  -9.6367   11.615   5.5450   2.6147   6.1472   2.8669 -0.6021824 3.880141 
1 1 1   31    4   22 o   11.843   2.5580   20.312   7.8991   21.719   10.104   18.101   12.668   12.125   3.0927   11.209   3.6594 0.9154749 4.791279 
1 1 1   31    4   23 o   5.4590   2.4622  -3.4421   7.6450  -3.5815   9.8733  -3.2335   12.081   6.2886   2.8205   7.0656   3.1480 -0.7769966 4.226708 
1 1 1   31    4   24 o   20.801   1.5291   59.291   8.4830   63.150   11.177   54.048   13.028   21.333   1.9731   19.512   2.5466 1.821169 3.221537 
1 1 1   31    4   25 o   12.803   2.3050   23.400   7.6349   30.481   10.459   15.323   11.171   14.488   2.7890   10.408   3.4382 4.080572 4.427145 
1 1 1   31    4   26 o   14.593   2.0384   29.905   7.7716   28.661   10.717   31.285   11.286   13.978   2.9474   14.608   2.9776 -0.6296501 4.189642 
1 1 1   31    4   27 o   28.919   1.3272  113.665   10.309  122.807   14.746  104.926   14.417   29.839   1.8490   27.527   1.9628 2.312517 2.696572 
1 1 1   31    4   28 f   35.187   1.0315  167.538   9.7490  164.228   13.585  171.053   13.998   34.708   1.4573   35.416   1.4716 -0.7086372 2.071054 
1 1 1   31    4   29 o   11.577   2.6263   19.613   7.9785   17.170   11.649   21.772   10.950   10.844   3.5071   12.042   3.2915 -1.198664 4.809709 
1 1 1   31    4   30 o   18.470   1.6895   47.227   8.2883   48.658   11.759   45.813   11.684   18.466   2.4299   17.879   2.5017 0.5868607 3.487515 
1 1 1   31    4   31 o   19.260   1.6131   51.277   8.2680   48.656   11.762   53.839   11.625   18.429   2.4358   19.479   2.2642 -1.049305 3.325660 
1 1 1   31    4   32 o   20.429   1.5741   57.694   8.5709   83.308   11.963   30.680   12.286   24.453   1.8348   14.152   3.2939 10.30062 3.770432 
1 1 1   31    4   33 o   5.8227   2.5671  -1.2330   7.8294   11.820   10.717 -16.1744   11.466   9.2841   3.3527   5.3847   2.6035 3.899425 4.244816 
1 1 1   31    4   34 o   32.935   1.2435  148.312   11.000  147.030   15.642  149.567   15.472   32.432   1.8028   32.737   1.7662 -0.3051796 2.523762 
1 1 1   31    4   35 o   21.387   1.8612   64.590   10.585   63.776   16.000   65.225   14.115   20.496   2.9947   21.059   2.5473 -0.5624485 3.931562 
1 1 1   31    4   36 o   16.919   2.1931   41.602   9.7319   27.319   13.649   56.374   13.880   12.798   3.7372   19.344   2.7488 -6.545959 4.639273 
1 1 1   31    4   37 o   44.406   1.2786  271.614   15.250  265.600   21.727  277.453   21.410   43.301   1.8681   44.342   1.7977 -1.040901 2.592587 
1 1 1   31    4   38 o   21.299   2.0095   65.616   11.360   53.396   15.890   78.390   16.246   18.065   3.3996   22.651   2.7250 -4.585619 4.356927 
1 1 1   31    4   39 f   10.693   3.3379   19.198   10.633   18.106   13.719   20.841   16.825   10.343   3.7844   10.878   4.1476 -0.5345945 5.614613 
1 1 1   31    5  -31 o   12.133   4.1985   23.120   16.665   23.120   16.665   0.0000   0.0000   12.133   4.1985  ?   ?  0.000000 4.198506 
1 1 1   31    5  -30 o   19.544   2.4743   54.965   12.698   58.550   17.896   51.329   18.019   19.545   3.5393   18.084   3.8289 1.460676 5.214097 
1 1 1   31    5  -29 o   5.5377   2.6580 -14.7366   11.445  -6.4040   16.511 -22.4446   15.880   7.8238   3.5642   6.2995   3.0502 1.524237 4.691206 
1 1 1   31    5  -28 o   15.547   2.7102   35.208   10.906   31.964   17.766   37.170   13.815   14.194   4.2938   15.676   3.3806 -1.481524 5.464888 
1 1 1   31    5  -27 o   25.814   1.4567   91.223   10.059   91.344   13.789   91.084   14.705   25.610   2.0211   25.506   2.1671 0.1041451 2.963295 
1 1 1   31    5  -26 f   13.834   2.6594   27.810   9.5228   40.288   14.484   18.309   12.638   16.392   3.4013   11.193   3.6551 5.199092 4.992870 
1 1 1   31    5  -25 o   29.660   1.3324  119.623   10.615  121.820   15.557  117.709   14.520   29.658   1.9641   29.196   1.8613 0.4614811 2.705932 
1 1 1   31    5  -24 o   36.147   1.1792  177.148   11.449  191.142   16.239  163.320   16.143   37.392   1.6169   34.471   1.7493 2.921303 2.382138 
1 1 1   31    5  -23 o   16.838   2.0317   39.650   9.0027   49.364   12.754   30.003   12.710   18.586   2.6281   14.148   3.3892 4.437858 4.288768 
1 1 1   31    5  -22 o   32.644   1.4166  145.040   12.421  159.296   22.353  138.673   14.940   33.666   2.4897   31.760   1.7582 1.905607 3.047915 
1 1 1   31    5  -21 f   14.397   2.3611   29.538   8.8135   23.732   12.344   35.574   12.588   12.577   3.5170   15.539   3.1243 -2.962379 4.704306 
1 1 1   31    5  -20 o   26.405   1.6136   95.587   11.389   99.190   13.736   87.666   20.368   26.786   1.9221   24.588   3.1570 2.198025 3.696098 
1 1 1   31    5  -19 o   12.954   2.7927   24.500   9.4304   26.564   12.196   21.429   14.872   13.319   3.3981   12.083   3.9660 1.236460 5.222621 
1 1 1   31    5  -18 o   26.153   1.5211   93.541   10.639   91.664   13.160   97.081   18.075   25.754   1.9163   26.204   2.6026 -0.4499779 3.231948 
1 1 1   31    5  -17 o   45.759   1.0948  283.363   13.456  288.210   18.145  277.440   20.057   46.009   1.4683   45.057   1.6573 0.9519424 2.214174 
1 1 1   31    5  -16 o   12.806   2.5646   23.664   8.5134   35.710   12.054   11.676   12.026   15.652   2.9760   9.6716   3.5424 5.980634 4.626600 
1 1 1   31    5  -15 f   8.1649   2.9356   8.2409   8.2062   9.5267   12.129   7.1554   11.144   9.2423   3.5221   8.5510   3.3446 0.6912212 4.857080 
1 1 1   31    5  -14 o   10.640   3.0874   16.479   9.3409   20.872   14.794   13.566   12.045   12.003   3.9564   10.111   3.5650 1.892116 5.325591 
1 1 1   31    5  -13 o   26.264   1.3979   93.968   9.8257   75.985   14.395  109.656   13.445   23.309   2.3305   28.257   1.7806 -4.948431 2.932875 
1 1 1   31    5  -12 o   29.338   1.2197  116.590   9.6110  121.703   14.099  112.151   13.136   29.784   1.7704   28.605   1.7177 1.178740 2.466751 
1 1 1   31    5  -11 o   5.0443   2.0684   1.2844   4.4772   0.9034   6.0355   1.7505   6.6762   5.6316   2.3632   6.0839   2.5137 -0.4523139 3.450099 
1 1 1   31    5  -10 o   16.203   1.4304   35.926   6.1612   31.015   8.0452   42.892   9.5813   14.889   2.0675   17.550   2.0726 -2.660749 2.927523 
1 1 1   31    5   -9 o   8.3536   2.3110   9.9416   5.3601   7.7222   7.6776   12.052   7.4868   7.9370   2.8410   9.2229   2.7868 -1.285888 3.979641 
1 1 1   31    5   -8 o   20.553   1.2253   57.383   6.7333   57.074   9.6614   57.674   9.3891   20.369   1.7840   20.493   1.7218 -0.1239395 2.479320 
1 1 1   31    5   -7 o   12.475   1.9421   21.787   6.2957   19.834   9.0949   23.584   8.7236   11.673   2.9108   12.807   2.6243 -1.133370 3.919125 
1 1 1   31    5   -6 o   43.529   0.8659  255.450   10.124  238.033   15.556  268.249   13.335   41.893   1.3825   44.549   1.1144 -2.656261 1.775750 
1 1 1   31    5   -5 o   15.772   1.5579   34.139   6.5133   21.574   10.002   43.389   8.5824   12.156   3.0645   17.734   1.8280 -5.578576 3.568257 
1 1 1   31    5   -4 o   9.4211   2.5408   12.728   6.5767   20.788   10.449   7.4403   8.4633   11.926   3.1969   8.0459   2.9680 3.880122 4.362222 
1 1 1   31    5   -3 o   21.742   1.1691   64.104   6.8023   69.257   9.7304   59.180   9.5130   22.504   1.6206   20.769   1.7208 1.734962 2.363819 
1 1 1   31    5   -2 o   34.155   0.8959  157.292   8.2189  157.607   11.639  156.980   11.607   34.120   1.2701   34.052   1.2691 0.6766891E-01 1.795467 
1 1 1   31    5   -1 o   14.733   1.6938   29.938   6.5803   34.802   9.1541   24.736   9.4657   15.761   2.2243   13.093   2.7778 2.668270 3.558575 
1 1 1   31    5    0 o   34.845   1.0094  163.886   9.4470  167.064   12.787  160.066   14.018   35.109   1.3559   34.326   1.5205 0.7834396 2.037255 
1 1 1   31    5    1 o   9.8622   2.5172   13.981   6.6904   16.331   9.1321   11.258   9.8297   10.640   3.0425   9.2934   3.2240 1.347052 4.432936 
1 1 1   31    5    2 o   25.869   1.1326   90.450   7.8695   87.841   10.593   93.663   11.756   25.374   1.5618   26.172   1.6813 -0.7983360 2.294806 
1 1 1   31    5    3 o   20.732   1.3474   58.490   7.4625   58.207   10.227   58.813   10.914   20.557   1.8727   20.631   1.9944 -0.7351685E-01 2.735850 
1 1 1   31    5    4 o   8.5532   2.6220   10.226   6.5946   5.3808   8.7408   16.629   10.048   7.6121   2.9663   10.757   3.2234 -3.145412 4.380580 
1 1 1   31    5    5 o   31.998   0.9805  138.180   8.4265  150.572   11.621  124.442   12.236   33.341   1.2977   30.265   1.5053 3.075396 1.987442 
1 1 1   31    5    6 o   9.2815   2.7963   12.194   7.5459   13.231   10.443   11.059   10.916   9.8754   3.3257   9.4116   3.3857 0.4637671 4.745816 
1 1 1   31    5    7 o   34.828   0.9246  163.631   8.6493  165.480   12.074  161.682   12.396   34.951   1.2862   34.536   1.3363 0.4152603 1.854768 
1 1 1   31    5    8 o   7.3447   2.6170   6.5822   6.5075   8.3775   8.9992   4.6146   9.4212   8.3933   3.0659   7.6209   3.0453 0.7723923 4.321291 
1 1 1   31    5    9 o   17.156   1.5517   40.360   7.0731   36.551   9.6242   44.833   10.430   16.124   2.2864   17.908   2.2156 -1.784760 3.183803 
1 1 1   31    5   10 o   38.308   0.9734  198.116   10.015  203.725   13.633  191.540   14.762   38.764   1.3094   37.543   1.4640 1.221489 1.964119 
1 1 1   31    5   11 o   15.294   1.8328   32.441   7.3788   23.690   9.5275   45.556   11.664   12.758   2.8520   17.954   2.4855 -5.195746 3.783083 
1 1 1   31    5   12 o   5.0929   2.3413  -5.0550   7.3415  -6.1575   10.183  -3.8619   10.594   6.0663   2.7772   6.5176   2.9226 -0.4513144 4.031620 
1 1 1   31    5   13 o   19.649   1.5522   52.901   8.1249   53.540   10.703   52.033   12.481   19.621   2.0618   19.196   2.4787 0.4253292 3.224131 
1 1 1   31    5   14 o   24.731   1.2507   83.124   8.2811   88.763   11.238   76.423   12.250   25.448   1.6531   23.508   1.9579 1.940287 2.562467 
1 1 1   31    5   15 f   20.684   1.5166   58.570   8.3667   57.338   11.957   59.752   11.712   20.240   2.2368   20.702   2.1369 -0.4619637 3.093489 
1 1 1   31    5   16 o   14.244   1.9852   28.415   7.3884   17.576   10.230   40.235   10.682   10.962   3.2453   16.844   2.4316 -5.882700 4.055177 
1 1 1   31    5   17 o   16.800   1.9812   39.350   8.7679   42.806   11.831   35.140   13.059   17.305   2.6280   15.410   3.2571 1.895620 4.185133 
1 1 1   31    5   18 o   25.340   1.2002   87.040   8.1687   89.329   11.144   84.382   12.009   25.520   1.6343   24.739   1.8201 0.7817001 2.446223 
1 1 1   31    5   19 o   15.816   1.7601   34.672   7.3500   24.105   10.077   46.685   10.744   12.791   2.9873   18.223   2.2424 -5.431847 3.735309 
1 1 1   31    5   20 o   29.818   1.0865  120.341   8.7019  117.705   12.233  123.040   12.381   29.330   1.5585   29.995   1.5420 -0.6648617 2.192404 
1 1 1   31    5   21 f   16.211   1.7942   36.461   7.6811   38.457   10.699   34.338   11.034   16.417   2.5059   15.398   2.7699 1.019207 3.735181 
1 1 1   31    5   22 o   24.116   1.2835   79.184   8.2836   77.352   11.530   81.139   11.908   23.669   1.8279   24.240   1.8429 -0.5702019 2.595634 
1 1 1   31    5   23 o   6.8990   2.7265   4.1208   7.4741 -11.6315   10.352   21.272   10.802   5.4851   2.6034   11.956   3.2696 -6.471075 4.179505 
1 1 1   31    5   24 o   16.757   1.7769   38.927   7.8754   41.652   11.019   36.083   11.260   17.103   2.4704   15.789   2.7553 1.313384 3.700583 
1 1 1   31    5   25 o   27.136   1.1956   99.885   8.7143  106.389   12.534   93.799   12.124   27.821   1.6853   26.097   1.7397 1.723967 2.422116 
1 1 1   31    5   26 f   30.868   1.2795  129.488   10.608  135.111   14.787  123.527   15.226   31.318   1.7651   29.878   1.9073 1.439724 2.598724 
1 1 1   31    5   27 o   20.563   1.6332   58.286   8.9458   51.917   11.993   66.275   13.431   19.121   2.3873   21.652   2.3471 -2.531300 3.347871 
1 1 1   31    5   28 o   11.483   2.6526   19.396   8.0167   17.368   11.249   21.489   11.428   10.837   3.4402   11.916   3.4022 -1.078573 4.838377 
1 1 1   31    5   29 o   24.688   1.4612   83.654   9.6464   77.803   14.276   88.571   13.086   23.439   2.2971   25.199   1.9486 -1.759943 3.012212 
1 1 1   31    5   30 o   12.985   2.3233   24.410   7.8056   9.2513   10.855   40.639   11.232   8.7785   3.3352   16.716   2.5851 -7.937758 4.219727 
1 1 1   31    5   31 o   20.186   1.6560   56.631   8.8993   49.527   13.038   62.828   12.177   18.352   2.7281   21.014   2.1896 -2.661625 3.498142 
1 1 1   31    5   32 o   18.867   1.7415   49.842   8.7259   47.357   12.876   51.953   11.866   17.851   2.7757   18.941   2.3854 -1.089815 3.659881 
1 1 1   31    5   33 o   24.830   1.4013   85.097   9.3072   91.648   13.037   78.288   13.291   25.476   1.9194   23.398   2.1386 2.077599 2.873624 
1 1 1   31    5   34 o   16.180   2.4921   38.821   10.483   21.929   14.224   58.900   15.508   11.551   3.8815   19.575   3.0489 -8.024125 4.935717 
1 1 1   31    5   35 o   23.348   1.7192   76.857   10.706   87.529   14.225   62.918   16.258   24.582   2.1770   20.078   3.1157 4.504177 3.800877 
1 1 1   31    5   36 f   28.696   1.6022  115.637   12.299  126.159   16.045  100.644   19.153   29.591   2.0310   25.621   2.8306 3.970686 3.483846 
1 1 1   31    5   37 o   38.176   1.3495  202.261   13.838  214.916   18.391  185.750   21.007   38.915   1.7596   35.582   2.2090 3.332432 2.824138 
1 1 1   31    5   38 o   7.6148   3.1553   5.9926   10.563   23.473   15.764  -8.2532   14.231   11.283   4.0675   6.6084   3.1111 4.674375 5.120859 
1 1 1   31    6  -30 o   16.063   5.0335   46.680   24.152   46.680   24.152   0.0000   0.0000   16.063   5.0335  ?   ?  0.000000 5.033480 
1 1 1   31    6  -29 o   7.8345   3.7298 -19.1600   21.567 -19.1600   21.567   0.0000   0.0000   7.8345   3.7298  ?   ?  0.000000 3.729781 
1 1 1   31    6  -28 o   9.3224   3.5082   10.991   11.941   10.912   17.008   11.067   16.769   10.085   4.0699   10.074   4.0496 0.1156902E-01 5.741364 
1 1 1   31    6  -27 o   31.676   1.4602  137.306   12.423  139.933   21.171  135.926   15.343   31.308   2.5395   31.301   1.8329 0.7616043E-02 3.131915 
1 1 1   31    6  -26 o   8.5628   3.1938   8.8767   9.8536   8.5552   16.552   9.0532   12.264   9.7497   3.9850   9.0522   3.5174 0.6974707 5.315349 
1 1 1   31    6  -25 o   22.771   1.6173   71.410   9.8274   75.949   13.894   66.865   13.902   23.222   2.2560   21.698   2.4271 1.524042 3.313681 
1 1 1   31    6  -24 o   26.530   1.3992   96.177   9.9350   86.178   14.207  105.747   13.899   24.817   2.1527   27.633   1.8839 -2.816423 2.860621 
1 1 1   31    6  -23 o   17.757   1.9608   44.014   9.1954   35.529   13.254   51.889   12.768   15.413   3.3011   19.060   2.5587 -3.647105 4.176602 
1 1 1   31    6  -22 o   46.647   1.0714  294.617   13.423  278.744   18.782  311.190   19.191   45.173   1.5480   47.757   1.4962 -2.583275 2.152879 
1 1 1   31    6  -21 o   10.610   3.1974   16.489   9.8650   13.546   17.439   17.873   11.963   10.797   4.1948   11.068   3.5513 -0.2714634 5.496187 
1 1 1   31    6  -20 o   28.758   1.4082  112.604   10.877  113.008   16.753  112.309   14.302   28.451   2.2097   28.512   1.8780 -0.6170845E-01 2.899923 
1 1 1   31    6  -19 o   14.800   2.2810   31.106   8.7764   31.603   12.201   30.573   12.633   14.580   3.2032   14.283   3.3509 0.2976761 4.635620 
1 1 1   31    6  -18 o   28.201   1.4467  108.627   10.921  106.095   14.266  112.212   16.975   27.690   1.9303   28.334   2.2491 -0.6440525 2.963828 
1 1 1   31    6  -17 o   20.927   2.2250   61.418   12.314   55.700   12.893  120.900   41.581   19.819   2.4760   26.595   5.9678 -6.775951 6.461038 
1 1 1   31    6  -16 o   19.556   1.8434   52.980   9.5685   56.545   13.005   48.773   14.128   19.973   2.4775   18.321   2.9731 1.652260 3.870043 
1 1 1   31    6  -15 o   21.670   1.5652   64.420   9.0485   61.386   12.787   67.464   12.807   20.891   2.3179   21.958   2.2010 -1.067835 3.196441 
1 1 1   31    6  -14 o   46.861   1.0520  297.082   13.241  300.487   18.671  293.636   18.781   46.960   1.4803   46.410   1.5067 0.5504799 2.112205 
1 1 1   31    6  -13 o   15.594   2.0465   34.077   8.3648   38.687   12.075   29.825   11.598   16.338   2.8557   14.207   3.1244 2.130619 4.232804 
1 1 1   31    6  -12 o   6.8691   2.2944   6.2464   4.9700   6.3934   5.6103   5.7104   10.712   7.0555   2.4364   8.1426   3.2495 -1.087159 4.061382 
1 1 1   31    6  -11 o   10.232   2.1701   14.997   5.7793   28.967   9.4696   6.7050   7.2956   14.193   2.5791   7.5384   2.7594 6.654701 3.777052 
1 1 1   31    6  -10 o   15.011   1.5960   31.077   6.3363   21.234   8.4398   43.790   9.5921   12.088   2.6707   17.714   2.0541 -5.626604 3.369296 
1 1 1   31    6   -9 o   21.438   1.2682   62.550   7.2698   58.468   11.756   65.078   9.2509   20.463   2.1721   21.787   1.5919 -1.324032 2.692941 
1 1 1   31    6   -8 f   13.985   1.6306   27.034   6.0096   36.285   8.4226   17.440   8.5771   16.131   1.9859   10.923   2.8817 5.207659 3.499753 
1 1 1   31    6   -7 f   24.456   1.0259   80.834   6.7391   82.727   9.5924   78.989   9.4699   24.620   1.4571   24.052   1.4730 0.5687237 2.071916 
1 1 1   31    6   -6 o   37.574   0.9137  190.551   9.2211  187.179   13.010  193.954   13.071   37.145   1.3041   37.816   1.2869 -0.6712341 1.832108 
1 1 1   31    6   -5 o   14.019   1.9160   27.430   7.0259   20.224   13.092   30.345   8.3264   11.775   3.7085   14.682   2.1774 -2.907141 4.300526 
1 1 1   31    6   -4 o   6.4161   2.6193   2.4652   7.1402  -7.4356   10.273   11.717   9.9310   5.9390   2.7443   9.3861   3.2415 -3.447164 4.247169 
1 1 1   31    6   -3 o   22.391   1.2448   68.139   7.4565   64.012   11.502   71.132   9.7932   21.492   2.0161   22.789   1.6103 -1.296968 2.580255 
1 1 1   31    6   -2 o   30.696   0.9629  127.218   7.9388  127.220   11.376  127.215   11.084   30.609   1.3838   30.617   1.3478 -0.7957458E-02 1.931674 
1 1 1   31    6   -1 o   35.512   0.9320  170.208   8.8895  173.426   13.037  167.410   12.153   35.746   1.3578   35.139   1.2877 0.6068382 1.871308 
1 1 1   31    6    0 f   17.881   1.4943   43.782   7.1110   42.470   9.7564   45.268   10.386   17.439   2.1271   17.990   2.1950 -0.5510845 3.056553 
1 1 1   31    6    1 o   22.528   1.2253   68.944   7.3864   76.524   10.492   61.497   10.400   23.627   1.6640   21.115   1.8526 2.512245 2.490176 
1 1 1   31    6    2 o   28.562   1.0853  110.306   8.3258  110.340   11.351  110.266   12.249   28.444   1.4910   28.398   1.6126 0.4631424E-01 2.196238 
1 1 1   31    6    3 o   17.126   1.6111   40.319   7.3239   36.525   9.7631   45.203   11.076   16.090   2.3266   17.920   2.3584 -1.829767 3.312902 
1 1 1   31    6    4 o   19.242   1.4929   50.663   7.6551   53.748   10.047   46.394   11.820   19.706   1.9227   18.108   2.4967 1.597696 3.151232 
1 1 1   31    6    5 o   10.227   2.6018   15.155   7.1642   17.511   10.421   13.044   9.8653   10.972   3.2817   9.7220   3.2320 1.249522 4.606037 
1 1 1   31    6    6 o   19.818   1.4660   53.701   7.7481   55.423   9.8934   50.970   12.460   20.028   1.8604   18.984   2.5049 1.043875 3.120176 
1 1 1   31    6    7 f   31.440   1.0125  133.572   8.5502  140.261   11.585  125.571   12.671   32.143   1.3419   30.317   1.5614 1.825825 2.058818 
1 1 1   31    6    8 f   13.778   1.8861   26.497   6.7964   25.332   9.2681   27.853   9.9962   13.225   2.7005   13.856   2.7826 -0.6309433 3.877566 
1 1 1   31    6    9 o   20.899   1.3587   59.570   7.5852   54.626   10.692   64.579   10.763   19.818   2.0376   21.619   1.8720 -1.800993 2.766992 
1 1 1   31    6   10 o   38.771   0.9348  202.986   9.7350  201.431   13.251  204.810   14.349   38.530   1.2804   38.821   1.3761 -0.2910652 1.879710 
1 1 1   31    6   11 o   48.878   0.8550  322.345   11.225  334.016   15.747  310.289   16.004   49.651   1.1808   47.831   1.2458 1.819805 1.716483 
1 1 1   31    6   12 o   25.191   1.2686   86.323   8.5557   96.352   12.317   76.973   11.893   26.472   1.7421   23.598   1.8924 2.874453 2.572146 
1 1 1   31    6   13 o   26.491   1.1337   95.039   8.0665   96.530   11.382   93.535   11.434   26.540   1.6042   26.113   1.6385 0.4277954 2.293109 
1 1 1   31    6   14 o   38.019   1.0093  195.440   10.307  200.387   15.485  191.506   13.810   38.340   1.5038   37.528   1.3701 0.8118210 2.034313 
1 1 1   31    6   15 o   13.411   2.1780   25.500   7.5764   29.143   11.229   22.456   10.265   14.053   3.0617   12.306   3.1055 1.746315 4.360938 
1 1 1   31    6   16 o   22.397   1.5617   68.799   9.3358   56.762   13.268   80.600   13.138   19.991   2.5276   24.076   2.0513 -4.084753 3.255261 
1 1 1   31    6   17 o   12.587   2.2704   22.632   7.3929   27.205   10.098   17.348   10.853   13.633   2.8495   10.890   3.3679 2.742672 4.411629 
1 1 1   31    6   18 o   8.7560   2.7359   10.843   7.1413   0.5815   9.7871   22.527   10.443   6.9046   2.9575   12.307   3.1471 -5.401981 4.318659 
1 1 1   31    6   19 o   23.611   1.2838   75.941   8.1108   79.187   11.360   72.564   11.584   23.959   1.7779   22.886   1.9018 1.073072 2.603443 
1 1 1   31    6   20 o   33.244   1.0571  149.573   9.4385  152.049   12.890  146.711   13.859   33.409   1.4365   32.770   1.5745 0.6385994 2.131358 
1 1 1   31    6   21 o   12.329   2.3643   21.849   7.5444   28.842   10.432   14.182   10.924   14.033   2.8647   10.070   3.4014 3.962314 4.447028 
1 1 1   31    6   22 o   13.514   2.1934   25.946   7.6884   33.639   10.719   17.793   11.034   15.233   2.7195   10.998   3.3950 4.235081 4.349865 
1 1 1   31    6   23 o   6.7491   2.7154   3.4583   7.5466   1.7187   10.703   5.1785   10.643   7.3670   3.1221   7.9858   3.2205 -0.6187391 4.485435 
1 1 1   31    6   24 o   13.370   2.2407   25.510   7.7615   14.297   10.785   37.556   11.178   10.056   3.3798   16.111   2.6772 -6.054916 4.311679 
1 1 1   31    6   25 o   31.125   1.2956  131.831   10.831  125.977   15.159  137.936   15.481   30.155   1.8810   31.582   1.8329 -1.427727 2.626365 
1 1 1   31    6   26 o   20.416   1.6277   57.551   8.8514   50.425   12.892   63.906   12.174   18.689   2.6418   21.308   2.1569 -2.618900 3.410480 
1 1 1   31    6   27 o   27.482   1.4280  103.531   10.504   92.649   14.714  114.842   15.002   25.662   2.1547   28.697   1.9580 -3.035683 2.911400 
1 1 1   31    6   28 o   7.6751   2.8581   7.0648   7.8854   10.089   11.299   4.1929   11.010   9.0293   3.4093   7.7984   3.2255 1.230834 4.693306 
1 1 1   31    6   29 o   6.3473   2.7558  -0.0547   8.7232   4.6318   12.081  -5.1605   12.609   8.0938   3.3657   6.8384   3.1151 1.255332 4.586066 
1 1 1   31    6   30 o   8.3002   2.9256   9.4480   8.1118  -8.1313   11.468   27.049   11.475   6.1240   2.8536   13.174   3.2606 -7.050427 4.332947 
1 1 1   31    6   31 o   6.0153   2.6008   0.2926   7.7054   9.1187   11.076  -7.9844   10.726   8.6411   3.3470   5.8728   2.7443 2.768264 4.328241 
1 1 1   31    6   32 o   9.0967   2.9680   12.444   8.3336   5.4294   11.123   21.419   12.582   7.8767   3.2486   11.482   3.6377 -3.604815 4.877069 
1 1 1   31    6   33 o   10.330   3.1901   16.921   9.7414   22.280   12.789   9.5147   15.035   11.588   3.6671   9.1783   3.7801 2.409337 5.266539 
1 1 1   31    6   34 o   17.436   2.2001   44.584   10.074   49.894   13.529   37.975   15.093   17.931   2.9087   14.907   3.7679 3.024591 4.760045 
1 1 1   31    6   35 o   12.608   3.1993   26.116   10.852   24.544   14.170   28.344   16.877   11.793   3.8713   12.381   4.2275 -0.5881290 5.732284 
1 1 1   31    6   36 o   23.989   2.3474   86.176   14.931   88.827   17.275   78.350   29.685   23.930   2.7370   18.461   5.5427 5.469601 6.181593 
1 1 1   31    7  -28 o   13.719   4.1131   31.316   16.356   31.316   16.356   0.0000   0.0000   13.719   4.1131  ?   ?  0.000000 4.113089 
1 1 1   31    7  -27 o   20.746   2.3624   61.895   12.929   56.131   18.078   67.931   18.499   18.890   3.6953   21.062   3.3846 -2.172121 5.011066 
1 1 1   31    7  -26 o   16.271   2.8606   39.287   12.046   37.325   16.651   41.441   17.447   15.216   4.0157   16.024   4.0515 -0.8076200 5.704407 
1 1 1   31    7  -25 o   7.8906   3.1470   5.8214   10.042   13.344   17.386   2.0549   12.302   10.553   4.1622   7.7835   3.3244 2.769371 5.326833 
1 1 1   31    7  -24 o   15.797   2.4773   36.001   10.165   47.138   17.234   30.060   12.588   17.415   3.7920   14.027   3.3809 3.387497 5.080349 
1 1 1   31    7  -23 o   35.213   1.2017  168.513   11.366  172.135   16.374  165.144   15.789   35.369   1.7236   34.657   1.6962 0.7125320 2.418250 
1 1 1   31    7  -22 o   13.810   2.4314   27.490   8.6893   30.074   12.359   24.965   12.219   14.108   3.3174   12.808   3.4671 1.300519 4.798505 
1 1 1   31    7  -21 o   4.8039   2.2817  -9.1928   7.9784 -16.9975   11.658  -2.3170   10.942   5.4410   2.6294   6.7942   3.0131 -1.353188 3.999075 
1 1 1   31    7  -20 o   22.685   1.6905   70.952   10.226   76.912   16.218   67.019   13.176   23.202   2.6499   21.812   2.2828 1.389584 3.497629 
1 1 1   31    7  -19 o   14.668   2.4837   30.920   9.4359   7.0288   14.457   48.654   12.455   9.1776   3.7347   18.433   2.5869 -9.254993 4.543117 
1 1 1   31    7  -18 o   6.6853   2.7855   2.0503   8.2976   3.5267   11.852   0.6310   11.621   7.9945   3.3298   7.4562   3.2089 0.5383105 4.624360 
1 1 1   31    7  -17 o   31.727   1.2265  136.653   10.451  149.174   14.579  123.416   14.990   33.007   1.6445   29.881   1.8773 3.125422 2.495719 
1 1 1   31    7  -16 o   12.435   2.8225   22.740   9.2108   24.042   12.974   21.417   13.079   12.603   3.6332   11.961   3.6968 0.6422710 5.183332 
1 1 1   31    7  -15 o   6.0577   2.7667  -5.5285   10.028  -8.0850   11.763   1.2700   19.183   6.3429   2.9330   9.3788   4.0793 -3.035872 5.024201 
1 1 1   31    7  -14 o   23.251   1.7889   74.667   11.086   71.429   13.565   81.180   19.237   22.549   2.2706   23.624   3.1071 -1.075258 3.848339 
1 1 1   31    7  -13 o   19.073   1.9087   50.578   9.6467   50.835   12.823   50.244   14.642   18.857   2.6012   18.545   3.0452 0.3114853 4.004936 
1 1 1   31    7  -12 o   25.852   1.0337   90.434   7.1775   91.878   8.5211   86.908   13.317   26.020   1.2193   25.015   1.9987 1.004517 2.341238 
1 1 1   31    7  -11 o   6.7400   2.3505   5.7585   5.2282   12.830   6.9769  -3.2982   7.8957   9.4062   2.6489   5.5744   2.5094 3.831864 3.648781 
1 1 1   31    7  -10 o   25.437   0.9797   87.478   6.6938   84.030   9.3838   91.049   9.5514   24.804   1.4144   25.832   1.3817 -1.028065 1.977260 
1 1 1   31    7   -9 o   30.483   0.9045  125.493   7.4059  114.728   10.440  136.398   10.508   29.050   1.3380   31.703   1.2340 -2.653797 1.820144 
1 1 1   31    7   -8 o   28.824   1.0118  112.357   7.8333  129.803   11.416   96.836   10.768   30.890   1.3760   26.604   1.5132 4.285837 2.045265 
1 1 1   31    7   -7 o   28.148   1.0224  107.160   7.7298  102.907   11.388  110.794   10.526   27.417   1.5529   28.541   1.3731 -1.124411 2.072874 
1 1 1   31    7   -6 f   23.667   1.1442   75.884   7.2731   89.006   11.012   65.732   9.6863   25.472   1.6180   21.862   1.6621 3.610325 2.319558 
1 1 1   31    7   -5 o   39.966   1.0515  216.096   11.287  219.438   18.526  214.122   14.234   40.028   1.7231   39.695   1.3351 0.3332596 2.179817 
1 1 1   31    7   -4 o   13.613   2.0132   26.059   7.1392   27.298   10.906   25.129   9.4441   13.599   3.0598   13.129   2.7656 0.4703732 4.124382 
1 1 1   31    7   -3 o   31.500   1.0269  134.180   8.6884  124.768   13.197  141.380   11.543   30.173   1.6345   32.257   1.3323 -2.084263 2.108670 
1 1 1   31    7   -2 o   11.140   2.4870   17.973   7.2530   19.074   11.560   17.258   9.3146   11.384   3.4680   10.843   3.0631 0.5406837 4.627095 
1 1 1   31    7   -1 o   5.9439   2.5228   0.6270   7.0057   5.8206   10.624  -3.3688   9.3188   8.1399   3.2399   6.1179   2.7423 2.021976 4.244706 
1 1 1   31    7    0 o   33.530   0.9515  151.883   8.5692  142.310   12.084  161.566   12.153   32.348   1.3909   34.491   1.3119 -2.143028 1.911957 
1 1 1   31    7    1 o   15.890   1.6571   34.872   6.9685   28.906   10.058   40.379   9.6633   14.111   2.7528   16.954   2.1720 -2.843382 3.506484 
1 1 1   31    7    2 o   6.9750   2.6358   5.2023   6.7570   5.5779   9.5907   4.8320   9.5214   7.8290   3.0902   7.6509   3.0600 0.1781154 4.348912 
1 1 1   31    7    3 o   24.295   1.2383   80.270   8.0535   92.654   10.790   64.695   12.101   26.016   1.5512   21.537   2.1194 4.479614 2.626422 
1 1 1   31    7    4 o   12.130   2.3560   21.119   7.3992   19.319   10.587   22.837   10.346   11.430   3.2782   12.415   3.1093 -0.9852524 4.518254 
1 1 1   31    7    5 o   27.524   1.1937  102.703   8.8248   90.474   11.066  124.063   14.625   25.686   1.6122   30.011   1.8230 -4.325672 2.433647 
1 1 1   31    7    6 f   31.886   1.0343  137.527   8.8581  143.774   12.041  130.156   13.078   32.512   1.3788   30.834   1.5845 1.678806 2.100442 
1 1 1   31    7    7 o   26.113   1.1564   92.409   8.1109   93.511   10.836   91.005   12.232   26.131   1.5508   25.698   1.7831 0.4333553 2.363181 
1 1 1   31    7    8 o   10.014   2.6657   14.615   7.2966   14.548   9.8535   14.696   10.857   10.082   3.2218   10.204   3.3905 -0.1223803 4.677168 
1 1 1   31    7    9 o   20.948   1.4519   60.059   8.1187   65.276   10.837   53.385   12.257   21.710   1.8769   19.427   2.4002 2.282875 3.046891 
1 1 1   31    7   10 o   20.393   1.3928   56.854   7.5830   56.311   10.522   57.441   10.938   20.118   1.9726   20.299   2.0335 -0.1809616 2.833099 
1 1 1   31    7   11 o   8.8046   2.6659   11.068   6.8460   9.0117   9.2382   13.573   10.196   8.5355   3.1081   9.8424   3.2863 -1.306820 4.523283 
1 1 1   31    7   12 o   27.618   1.1458  103.382   8.4996  114.892   11.453   89.272   12.681   28.991   1.4757   25.407   1.8715 3.584652 2.383301 
1 1 1   31    7   13 o   41.007   0.9294  227.220   10.237  220.256   14.108  234.964   14.878   40.255   1.3048   41.566   1.3326 -1.311653 1.865043 
1 1 1   31    7   14 o   26.534   1.1704   95.480   8.3411  107.257   11.651   83.095   11.947   27.978   1.5566   24.520   1.8272 3.457575 2.400288 
1 1 1   31    7   15 o   13.154   2.4706   24.949   8.4080   23.047   11.826   26.893   11.957   12.377   3.4357   13.375   3.3387 -0.9987068 4.790725 
1 1 1   31    7   16 o   12.325   2.3380   21.830   7.4568   30.797   10.198   11.530   10.931   14.562   2.7072   9.4180   3.3879 5.143616 4.336676 
1 1 1   31    7   17 o   22.886   1.4071   71.603   8.6076   74.497   12.857   69.252   11.588   23.102   2.0947   22.324   1.9522 0.7783318 2.863409 
1 1 1   31    7   18 o   22.769   1.4295   70.927   8.6982   67.639   12.699   73.833   11.939   21.968   2.1810   23.056   1.9461 -1.087965 2.923006 
1 1 1   31    7   19 o   11.355   2.8011   18.994   8.4897   17.517   10.913   21.258   13.512   10.908   3.3777   11.922   3.7689 -1.013924 5.061012 
1 1 1   31    7   20 o   8.2850   2.8740   9.0843   7.8112   8.4551   10.823   9.7684   11.285   8.6936   3.3237   9.0651   3.4106 -0.3714962 4.762270 
1 1 1   31    7   21 o   14.417   2.1601   29.474   8.1069   30.358   11.461   28.589   11.469   14.288   3.0775   13.826   3.1576 0.4613762 4.409231 
1 1 1   31    7   22 o   21.831   1.5505   65.535   9.0322   69.732   13.226   61.866   12.365   22.247   2.2441   20.948   2.2319 1.298552 3.165028 
1 1 1   31    7   23 o   9.8999   2.8467   14.426   7.9738   12.521   11.337   16.292   11.217   9.6492   3.4525   10.552   3.4434 -0.9031258 4.876125 
1 1 1   31    7   24 o   11.538   3.0118   19.981   9.4336   25.783   13.470   14.394   13.216   12.898   3.6973   10.264   3.7206 2.633835 5.245228 
1 1 1   31    7   25 o   14.843   2.1378   31.379   8.2771   31.373   11.853   31.383   11.564   14.403   3.1514   14.441   3.0755 -0.3770638E-01 4.403415 
1 1 1   31    7   26 o   14.945   2.0783   31.788   8.1165   34.670   11.498   28.925   11.459   15.237   2.9156   13.773   3.1642 1.464159 4.302687 
1 1 1   31    7   27 o   6.9871   2.8554   3.6599   8.4964   5.3674   11.520   1.6232   12.581   8.0829   3.3166   7.7223   3.3311 0.3605676 4.700615 
1 1 1   31    7   28 o   15.080   2.1965   32.808   8.6352   34.639   11.434   30.377   13.174   15.130   2.9194   13.811   3.5362 1.318726 4.585646 
1 1 1   31    7   29 o   5.3019   2.4464  -5.0630   8.1208 -11.4585   10.768   3.3733   12.367   5.5250   2.6317   7.8499   3.3424 -2.324987 4.254123 
1 1 1   31    7   30 o   16.446   1.8795   38.514   8.1529   33.059   11.344   44.341   11.725   14.613   2.9911   17.232   2.6154 -2.619417 3.973291 
1 1 1   31    7   31 o   13.771   2.1757   27.799   7.7805   33.647   10.979   21.900   11.027   14.756   2.8735   11.611   3.3503 3.145515 4.413805 
1 1 1   31    7   32 o   10.698   3.1277   18.425   9.5543   27.760   12.414   4.8635   14.964   12.889   3.4971   8.4001   3.6281 4.488679 5.039107 
1 1 1   31    7   33 o   35.336   1.1954  171.980   11.346  178.079   15.951  165.736   16.142   35.536   1.6712   34.151   1.7658 1.385593 2.431237 
1 1 1   31    7   34 o   13.777   3.0514   30.891   10.994   33.689   15.688   28.192   15.411   13.503   4.0237   12.336   4.0366 1.167437 5.699521 
1 1 1   31    7   35 o   8.0681   3.3107   7.9128   11.480  -4.7025   18.483   15.836   14.648   7.7240   3.6070   9.7711   3.8310 -2.047107 5.261894 
1 1 1   31    8  -27 o   23.398   2.9751   82.923   18.274   82.923   18.274   0.0000   0.0000   23.398   2.9751  ?   ?  0.000000 2.975074 
1 1 1   31    8  -26 o   14.136   4.1703   33.715   16.919   33.715   16.919   0.0000   0.0000   14.136   4.1703  ?   ?  0.000000 4.170324 
1 1 1   31    8  -25 o   18.155   3.0404   49.763   14.301   42.985   17.957   61.520   23.650   16.118   4.1294   18.882   4.6855 -2.764910 6.245422 
1 1 1   31    8  -24 o   14.303   2.8683   30.661   10.636   2.2058   18.510   44.687   12.995   9.1051   3.9825   17.325   2.8949 -8.219677 4.923479 
1 1 1   31    8  -23 o   29.497   1.5034  119.721   11.871  142.366   19.821  107.054   14.824   31.643   2.3489   27.628   2.0115 4.015213 3.092475 
1 1 1   31    8  -22 o   17.952   2.2288   45.848   10.515   54.009   17.699   41.396   13.073   18.705   3.6539   16.663   3.0328 2.041992 4.748568 
1 1 1   31    8  -21 o   5.7378   2.6446  -6.1039   9.4507   8.5779   16.786 -12.9176   11.435   9.7580   4.0036   5.6964   2.7130 4.061550 4.836248 
1 1 1   31    8  -20 o   26.148   1.4402   93.702   10.076   82.539   14.214  104.977   14.286   24.208   2.2105   27.458   1.9497 -3.250298 2.947526 
1 1 1   31    8  -19 o   29.520   1.3195  118.694   10.462   94.004   14.784  143.462   14.808   25.896   2.1449   32.256   1.7153 -6.360222 2.746403 
1 1 1   31    8  -18 o   24.305   1.7442   81.635   11.311   85.143   20.826   80.167   13.470   23.982   3.3224   23.926   2.1181 0.5679703E-01 3.940108 
1 1 1   31    8  -17 o   10.526   3.0900   16.369   9.3082   8.6833   14.914   21.274   11.914   9.5135   3.8209   11.875   3.4985 -2.361448 5.180614 
1 1 1   31    8  -16 o   20.398   1.7085   57.504   9.2745   39.734   13.110   75.308   13.123   16.391   3.0911   23.192   2.1304 -6.800726 3.754146 
1 1 1   31    8  -15 o   11.057   2.8922   18.088   8.6873   32.239   13.015   6.7177   11.666   14.615   3.3825   8.5138   3.3931 6.101163 4.791121 
1 1 1   31    8  -14 o   7.4884   3.0186   4.4437   9.3453   5.1727   11.882   3.2615   15.132   8.2789   3.3793   8.7334   3.7073 -0.4545393 5.016357 
1 1 1   31    8  -13 f   24.666   1.5163   83.419   9.9972   83.224   13.834   83.633   14.463   24.396   2.1327   24.411   2.2305 -0.1549530E-01 3.086019 
1 1 1   31    8  -12 o   19.940   1.4119   54.455   7.5126   57.960   9.3827   48.193   12.540   20.480   1.7217   18.319   2.6236 2.160889 3.138065 
1 1 1   31    8  -11 o   28.379   0.9728  108.924   7.4152  115.327   9.5170   99.032   11.830   29.143   1.2158   26.835   1.6492 2.307873 2.048929 
1 1 1   31    8  -10 o   6.2050   2.4999   2.7959   6.4056   2.7233   8.4978   2.8913   9.7482   6.8826   2.8391   7.2951   3.0276 -0.4124961 4.150546 
1 1 1   31    8   -9 f   5.7846   2.4088   1.3907   6.1997   12.229   7.9927 -14.9791   9.8230   9.2465   2.8953   4.9636   2.4023 4.282904 3.762103 
1 1 1   31    8   -8 o   16.449   1.4765   37.204   6.4539   34.347   9.1227   40.066   9.1318   15.562   2.2476   16.898   2.0542 -1.335998 3.044955 
1 1 1   31    8   -7 f   57.291   0.8706  443.254   13.397  450.046   19.040  436.594   18.853   57.568   1.2314   56.698   1.2380 0.8702316 1.746171 
1 1 1   31    8   -6 o   7.6552   2.6192   7.7491   6.4783   2.8873   10.294   10.937   8.3361   7.4559   3.1042   8.8991   2.9715 -1.443153 4.297187 
1 1 1   31    8   -5 o   24.336   1.2452   80.642   8.1119   75.303   10.724   87.783   12.402   23.369   1.7206   25.192   1.8457 -1.823547 2.523363 
1 1 1   31    8   -4 o   24.825   1.2018   83.634   8.0131   85.517   11.001   81.506   11.696   24.936   1.6518   24.286   1.8059 0.6499062 2.447436 
1 1 1   31    8   -3 o   42.011   0.9086  238.450   10.253  225.180   15.333  249.181   13.788   40.657   1.4041   42.852   1.1980 -2.194473 1.845714 
1 1 1   31    8   -2 o   19.326   1.4499   51.197   7.4714   55.958   11.472   47.689   9.8459   19.967   2.1743   18.473   2.0171 1.493477 2.965856 
1 1 1   31    8   -1 o   5.6591   2.4799  -1.1526   7.2066   11.921   11.585  -9.4044   9.2041   9.6035   3.4831   5.2802   2.4907 4.323313 4.282023 
1 1 1   31    8    0 o   6.0782   2.5661   0.9995   7.1860  -0.8230   11.558   2.1480   9.1748   7.2177   3.1523   6.9860   2.9214 0.2317448 4.297861 
1 1 1   31    8    1 o   9.6569   2.6380   13.590   7.0360   5.8285   10.430   20.071   9.5312   8.0651   3.2102   11.631   3.0231 -3.565699 4.409626 
1 1 1   31    8    2 o   24.424   1.2632   81.252   8.2583   92.762   12.377   72.016   11.087   25.925   1.7884   22.815   1.8246 3.109659 2.554917 
1 1 1   31    8    3 o   24.165   1.3701   79.740   8.8562   81.230   14.371   78.827   11.245   24.061   2.2498   23.897   1.7645 0.1637230 2.859231 
1 1 1   31    8    4 o   27.219   1.2368  100.610   9.0418  105.893   12.189   94.144   13.483   27.763   1.6418   26.055   1.9406 1.707802 2.541986 
1 1 1   31    8    5 o   18.493   1.6116   47.132   7.9246   46.718   10.773   47.620   11.699   18.194   2.2526   18.296   2.4414 -0.1020966 3.321868 
1 1 1   31    8    6 o   21.313   1.4391   62.198   8.1897   55.042   11.266   70.219   11.927   19.806   2.1524   22.458   1.9980 -2.652275 2.936834 
1 1 1   31    8    7 f   12.176   2.5102   21.514   7.9364   20.659   10.912   22.473   11.564   11.750   3.3140   12.222   3.3992 -0.4715748 4.747355 
1 1 1   31    8    8 o   13.182   2.2665   24.824   7.7351   28.303   10.240   20.202   11.804   13.888   2.8410   11.626   3.4961 2.262745 4.504860 
1 1 1   31    8    9 f   25.229   1.3891   86.959   9.3766   92.241   14.302   82.977   12.418   25.718   2.0885   24.461   1.9051 1.256596 2.826881 
1 1 1   31    8   10 o   20.525   1.5186   57.850   8.3125   71.306   11.576   43.527   11.944   22.658   1.9203   17.391   2.6399 5.267433 3.264437 
1 1 1   31    8   11 o   46.266   0.9776  289.530   12.148  293.455   16.873  285.306   17.505   46.428   1.3531   45.745   1.4247 0.6828346 1.964855 
1 1 1   31    8   12 o   29.398   1.1679  117.258   9.2215  120.378   13.172  114.259   12.915   29.588   1.6642   28.820   1.6756 0.7688198 2.361599 
1 1 1   31    8   13 f   17.865   1.7239   44.196   8.1690   59.058   11.738   30.237   11.376   20.511   2.1633   14.275   3.0590 6.235603 3.746683 
1 1 1   31    8   14 o   26.686   1.4640   97.461   10.453  106.259   15.944   90.829   13.843   27.566   2.1710   25.537   2.0352 2.029427 2.975733 
1 1 1   31    8   15 o   5.8032   2.5391  -1.0326   7.5292  -4.2784   10.458   2.4600   10.848   6.3639   2.8742   7.5268   3.1639 -1.162913 4.274527 
1 1 1   31    8   16 o   21.056   1.4835   60.831   8.3361   64.518   11.637   56.944   11.948   21.490   2.0405   20.093   2.2526 1.396791 3.039374 
1 1 1   31    8   17 o   10.243   2.7843   15.443   7.8607   13.946   11.464   16.771   10.799   10.026   3.4816   10.682   3.3685 -0.6553478 4.844430 
1 1 1   31    8   18 o   8.2212   2.8976   8.8285   7.9572   5.7999   11.048   12.093   11.470   8.1789   3.2873   9.5870   3.4675 -1.408100 4.778042 
1 1 1   31    8   19 o   15.842   1.9354   35.199   8.0640   32.253   10.919   38.734   11.961   14.805   2.8492   16.262   2.8418 -1.456576 4.024171 
1 1 1   31    8   20 o   11.489   2.6188   19.422   7.9011   13.776   10.936   25.587   11.428   9.8923   3.4023   12.986   3.2767 -3.093271 4.723602 
1 1 1   31    8   21 o   18.370   1.8426   47.094   8.9687   33.520   13.340   58.290   12.116   14.800   3.4240   20.273   2.2637 -5.473297 4.104591 
1 1 1   31    8   22 o   10.478   2.9814   16.429   8.7913   9.8372   11.654   25.132   13.392   9.0540   3.4519   12.699   3.7001 -3.645334 5.060262 
1 1 1   31    8   23 o   6.1248   2.7853  -4.5336   10.026 -21.1427   12.802   21.810   16.122   5.4568   2.6638   11.919   4.1293 -6.462491 4.913970 
1 1 1   31    8   24 o   14.637   2.3087   30.974   8.7756   37.363   11.112   20.383   14.306   15.915   2.6957   11.498   3.8924 4.417416 4.734753 
1 1 1   31    8   25 o   6.6882   2.7487   3.1055   7.9288   7.5676   10.783  -2.1471   11.699   8.3267   3.2799   6.9280   3.0914 1.398675 4.507114 
1 1 1   31    8   26 o   11.882   2.7087   21.346   8.4527   36.872   12.158   6.8185   11.760   15.531   3.0232   8.3315   3.3764 7.199951 4.532098 
1 1 1   31    8   27 o   11.878   2.8477   21.691   8.9677   28.905   11.862   12.068   13.700   13.497   3.2998   9.5585   3.7168 3.938466 4.970173 
1 1 1   31    8   28 o   10.616   2.9000   17.538   8.5030   26.382   11.102   4.9846   13.226   12.865   3.2203   8.2105   3.4746 4.654309 4.737401 
1 1 1   31    8   29 o   13.419   2.4275   26.981   8.4272   31.460   11.429   21.643   12.475   14.085   3.1047   11.417   3.6227 2.667600 4.771068 
1 1 1   31    8   30 o   5.3607   2.4618  -4.0605   8.0879  -4.8774   12.027  -3.3861   10.927   6.5002   2.9913   6.3716   2.9015 0.1285939 4.167342 
1 1 1   31    8   31 o   9.6423   3.0851   14.929   9.0330   24.462   12.406   4.1732   13.178   11.928   3.5836   7.8904   3.4064 4.037422 4.944230 
1 1 1   31    8   32 o   34.253   1.2999  162.816   11.959  156.174   16.676  169.850   17.161   32.913   1.8944   34.362   1.8664 -1.448647 2.659334 
1 1 1   31    8   33 o   13.561   3.0842   30.489   10.980   41.727   16.081   20.673   15.028   15.026   3.9371   10.659   3.9504 4.367077 5.577339 
1 1 1   31    9  -26 o   30.281   3.6203  148.200   28.861  148.200   28.861   0.0000   0.0000   30.281   3.6203  ?   ?  0.000000 3.620284 
1 1 1   31    9  -25 o   6.8417   3.2481 -13.5383   16.134 -13.5383   16.134   0.0000   0.0000   6.8417   3.2481  ?   ?  0.000000 3.248102 
1 1 1   31    9  -24 o   28.586   2.7290  121.095   20.699  121.095   20.699   0.0000   0.0000   28.586   2.7290  ?   ?  0.000000 2.729008 
1 1 1   31    9  -23 o   5.2473   2.5765 -22.2417   12.516  -2.1971   16.148 -52.4000   19.807   8.0099   3.5988   5.7083   2.8712 2.301613 4.603809 
1 1 1   31    9  -22 o   16.196   2.5392   38.473   10.683   47.049   17.828   33.669   13.344   17.002   3.9752   14.637   3.4504 2.364235 5.263831 
1 1 1   31    9  -21 o   8.2665   3.1838   7.8856   9.9781   6.7084   16.911   8.5144   12.358   9.3762   3.9463   8.8450   3.5026 0.5312223 5.276500 
1 1 1   31    9  -20 f   25.979   1.6103   93.316   11.181   93.767   19.078   93.080   13.799   25.290   2.8589   25.742   2.0118 -0.4521694 3.495802 
1 1 1   31    9  -19 o   25.838   1.6494   92.320   11.387   89.814   19.308   93.656   14.099   24.713   2.9682   25.825   2.0495 -1.112099 3.607076 
1 1 1   31    9  -18 o   6.2756   2.7554  -1.0926   8.9346   0.6018   13.723  -2.3394   11.771   7.9352   3.4508   6.9964   3.1129 0.9387946 4.647380 
1 1 1   31    9  -17 o   21.975   1.7280   66.938   10.117   70.782   16.253   64.506   12.927   22.064   2.8060   21.321   2.2934 0.7432575 3.623975 
1 1 1   31    9  -16 o   8.1205   3.0648   7.6603   9.1280  -7.0486   14.663   16.967   11.664   7.2792   3.3325   10.728   3.5118 -3.449113 4.841256 
1 1 1   31    9  -15 o   34.378   1.2127  160.674   11.197  147.868   16.064  172.778   15.617   32.676   1.8378   35.471   1.6392 -2.795719 2.462595 
1 1 1   31    9  -14 o   9.4544   2.9953   12.890   8.5308   17.709   12.535   8.7323   11.643   10.980   3.6428   8.8770   3.4335 2.103474 5.005857 
1 1 1   31    9  -13 o   19.417   1.2713   51.505   6.5933   48.662   7.2308   65.533   16.060   18.825   1.4410   21.229   2.8919 -2.403231 3.231057 
1 1 1   31    9  -12 o   17.097   1.5299   40.293   6.9512   42.817   7.7001   29.177   16.158   17.593   1.6488   13.658   4.0867 3.934445 4.406747 
1 1 1   31    9  -11 o   7.7990   2.4954   8.4756   5.9097   5.4183   7.2245   14.659   10.274   7.1280   2.7178   10.087   3.2957 -2.958896 4.271740 
1 1 1   31    9  -10 o   11.814   1.9153   19.734   5.8695   23.028   7.9013   15.679   8.7676   12.619   2.4192   10.310   2.9910 2.309315 3.846883 
1 1 1   31    9   -9 o   15.623   1.5850   33.748   6.5588   33.161   8.8527   34.461   9.7652   15.280   2.2222   15.505   2.4242 -0.2257080 3.288638 
1 1 1   31    9   -8 o   52.062   0.8059  365.860   11.269  364.877   15.850  366.865   16.025   51.861   1.1379   51.998   1.1474 -0.1366615 1.615994 
1 1 1   31    9   -7 o   37.505   0.9784  190.325   9.8556  178.812   14.186  201.066   13.702   36.188   1.4595   38.428   1.3275 -2.240471 1.972964 
1 1 1   31    9   -6 o   31.408   0.9961  133.510   8.4032  132.871   11.354  134.285   12.495   31.231   1.3536   31.352   1.4839 -0.1209011 2.008487 
1 1 1   31    9   -5 o   19.487   1.4827   52.161   7.7022   48.556   9.9786   57.474   12.114   18.617   2.0284   20.169   2.2760 -1.552200 3.048708 
1 1 1   31    9   -4 o   13.940   2.0158   27.423   7.3282   23.277   9.6102   33.184   11.327   12.528   2.9114   15.013   2.9142 -2.485073 4.119364 
1 1 1   31    9   -3 o   33.497   1.1019  152.116   9.9139  148.068   14.366  155.797   13.699   32.866   1.6274   33.760   1.5107 -0.8942871 2.220507 
1 1 1   31    9   -2 o   22.803   1.4373   71.224   8.7578   84.056   11.978   56.485   12.837   24.638   1.8230   19.918   2.4513 4.719622 3.054870 
1 1 1   31    9   -1 o   24.858   1.2108   83.933   8.0839   91.954   11.970   77.208   10.961   25.810   1.7369   23.640   1.7384 2.169836 2.457391 
1 1 1   31    9    0 o   18.181   1.5040   45.469   7.2786   42.118   10.334   48.768   10.253   17.228   2.2901   18.639   2.0837 -1.410877 3.096192 
1 1 1   31    9    1 o   15.040   1.9652   31.768   7.7486   26.373   11.720   35.958   10.328   13.214   3.3094   15.810   2.5164 -2.595806 4.157439 
1 1 1   31    9    2 o   20.012   1.6533   55.278   8.8066   40.027   15.137   63.083   10.828   16.212   3.5725   21.292   1.9138 -5.079605 4.052816 
1 1 1   31    9    3 o   6.2694   2.6393   1.3076   7.5669   4.9708   9.6783  -4.4532   12.137   7.6776   3.0800   6.8761   3.1018 0.8015132 4.371190 
1 1 1   31    9    4 o   13.922   2.1125   27.475   7.6512   28.667   10.264   25.985   11.478   13.961   2.8341   13.129   3.2679 0.8322468 4.325646 
1 1 1   31    9    5 o   16.494   1.7542   37.805   7.6522   38.173   10.389   37.370   11.314   16.327   2.4442   16.036   2.7243 0.2915134 3.660040 
1 1 1   31    9    6 o   14.670   2.2611   30.667   8.6230   40.599   13.642   24.058   11.128   16.515   3.1909   12.635   3.2581 3.879793 4.560367 
1 1 1   31    9    7 o   7.8680   2.8474   7.6975   7.7362  -2.5827   10.087   22.382   12.056   6.4701   2.8800   12.155   3.5018 -5.684468 4.533999 
1 1 1   31    9    8 o   14.849   2.0731   31.132   8.0425   32.560   10.514   29.118   12.486   14.947   2.7192   13.861   3.3834 1.086030 4.340653 
1 1 1   31    9    9 o   7.0614   2.6980   5.2582   7.1287   7.1392   9.6335   2.9816   10.598   8.1350   3.1297   7.5391   3.1452 0.5958943 4.437008 
1 1 1   31    9   10 o   36.583   1.0134  181.184   9.9576  186.097   13.211  174.721   15.152   36.968   1.3305   35.719   1.5794 1.248386 2.065095 
1 1 1   31    9   11 o   17.580   1.6816   42.794   7.8433   36.373   10.411   51.221   11.927   15.895   2.5229   18.974   2.3936 -3.079288 3.477688 
1 1 1   31    9   12 o   28.901   1.2642  113.612   9.8135   96.078   13.778  131.664   13.981   26.276   1.9665   30.917   1.6900 -4.640034 2.592950 
1 1 1   31    9   13 o   13.863   2.3479   27.599   8.4302   20.028   10.527   41.138   14.077   11.542   3.2549   16.564   3.2800 -5.022128 4.620897 
1 1 1   31    9   14 o   28.088   1.1778  107.162   8.8857  107.447   12.464  106.867   12.671   27.921   1.6697   27.831   1.7033 0.9009933E-01 2.385180 
1 1 1   31    9   15 o   13.663   2.3885   26.920   8.4464   37.486   11.092   12.340   13.030   16.060   2.6649   9.8360   3.6718 6.224160 4.536984 
1 1 1   31    9   16 o   12.752   2.5957   23.817   8.5884   22.386   11.125   25.928   13.512   12.137   3.3177   12.942   3.7009 -0.8049135 4.970304 
1 1 1   31    9   17 o   8.3026   2.9201   9.1548   8.0771   8.8951   10.115   9.6118   13.418   8.5938   3.2298   9.3373   3.6649 -0.7434998 4.884986 
1 1 1   31    9   18 o   34.238   1.1352  159.281   10.440  159.483   13.541  158.985   16.392   34.122   1.4775   33.860   1.8089 0.2619286 2.335657 
1 1 1   31    9   19 o   23.201   1.4069   73.906   8.7260   70.664   11.962   77.593   12.757   22.433   2.0065   23.497   2.0416 -1.063519 2.862567 
1 1 1   31    9   20 f   11.904   2.6174   21.013   8.1407   15.692   11.250   26.864   11.795   10.303   3.4519   13.190   3.3292 -2.886423 4.795731 
1 1 1   31    9   21 o   12.123   2.6282   21.864   8.3108   15.880   10.651   31.177   13.288   10.288   3.3553   14.088   3.5213 -3.799641 4.863932 
1 1 1   31    9   22 o   20.026   2.0247   56.828   10.741   55.899   13.663   58.332   17.378   19.492   2.6807   19.386   3.4646 0.1063480 4.380592 
1 1 1   31    9   23 o   18.381   1.8028   47.544   8.7858   45.671   11.357   50.337   13.866   17.676   2.4586   18.282   2.9221 -0.6060314 3.818798 
1 1 1   31    9   24 o   19.250   1.7954   52.234   9.1761   55.688   13.670   49.401   12.380   19.333   2.7069   18.264   2.5967 1.068531 3.750981 
1 1 1   31    9   25 o   7.8570   2.9421   7.9371   8.3784   8.9611   11.552   6.8006   12.170   8.6183   3.3948   8.3232   3.4113 0.2951326 4.812609 
1 1 1   31    9   26 o   6.8565   2.8498   3.4019   8.6552 -14.6083   11.547   26.499   13.076   5.4498   2.6295   12.596   3.6523 -7.145994 4.500349 
1 1 1   31    9   27 o   6.8939   2.8725   3.5303   8.8245   6.9777   12.352  -0.0633   12.611   8.2782   3.4196   7.2661   3.2280 1.012119 4.702513 
1 1 1   31    9   28 o   20.809   1.5694   60.941   8.7066   53.105   11.585   71.111   13.198   18.909   2.3304   21.960   2.2703 -3.050703 3.253450 
1 1 1   31    9   29 o   5.6199   2.6147  -5.7086   9.5700   1.4548   12.036 -18.0214   15.780   7.2388   3.1876   6.2545   3.0313 0.9842744 4.398869 
1 1 1   31    9   30 f   22.879   1.7534   75.028   10.693   66.606   14.850   84.095   15.408   20.650   2.7456   23.522   2.4760 -2.872412 3.697131 
1 1 1   31    9   31 o   18.083   2.3059   49.513   10.945   55.178   16.507   45.068   14.621   17.797   3.5773   16.143   3.4750 1.654068 4.987303 
1 1 1   31    9   32 o   11.153   4.1373   24.729   16.491   15.080   28.772   29.450   20.125   10.135   4.6501   11.686   4.5157 -1.550948 6.481910 
1 1 1   31   10  -24 o   30.198   2.6215  136.682   21.052  136.682   21.052   0.0000   0.0000   30.198   2.6215  ?   ?  0.000000 2.621507 
1 1 1   31   10  -23 o   13.021   4.3200   30.228   17.628   30.228   17.628   0.0000   0.0000   13.021   4.3200  ?   ?  0.000000 4.320008 
1 1 1   31   10  -22 o   26.180   2.7857  102.847   19.287  102.847   19.287   0.0000   0.0000   26.180   2.7857  ?   ?  0.000000 2.785650 
1 1 1   31   10  -21 o   8.4912   3.4925   6.8596   12.814   11.001   17.328   1.8627   19.034   9.8448   4.0568   8.9572   3.9731 0.8876476 5.678328 
1 1 1   31   10  -20 o   24.991   2.2006   89.465   14.620   95.410   19.862   82.433   21.600   25.171   2.9967   22.815   3.6478 2.356611 4.720876 
1 1 1   31   10  -19 o   5.7902   2.6646  -5.4784   9.5435  -5.6111   16.993  -5.4173   11.534   7.8626   3.5951   6.4490   2.9536 1.413618 4.652771 
1 1 1   31   10  -18 o   10.482   3.1771   16.758   9.7199   30.422   17.381   10.540   11.725   13.539   4.2740   9.1163   3.4655 4.423047 5.502445 
1 1 1   31   10  -17 o   10.185   3.2156   15.597   9.8384   21.692   17.554   12.805   11.880   11.882   4.2908   9.6529   3.5231 2.229509 5.551865 
1 1 1   31   10  -16 o   4.8724   2.3750 -16.6556   10.069   13.740   22.423 -24.3318   11.269   11.148   4.6064   4.7478   2.3524 6.400017 5.172271 
1 1 1   31   10  -15 o   7.8827   3.2933   3.8161   11.644   0.0000   0.0000   3.8161   11.644  ?   ?    7.8827   3.2933 0.000000 3.293350 
1 1 1   31   10  -14 o   21.261   1.8222   63.024   10.306   41.132   16.712   76.457   13.091   16.100   3.9047   23.289   2.1159 -7.188385 4.441127 
1 1 1   31   10  -13 o   21.542   1.1897   63.316   6.8567   65.687   8.1940   57.777   12.523   21.876   1.4019   20.115   2.3630 1.761576 2.747569 
1 1 1   31   10  -12 o   15.837   1.5878   34.766   6.6632   29.504   7.8608   48.195   12.558   14.409   2.0923   18.227   2.6422 -3.818096 3.370331 
1 1 1   31   10  -11 o   13.530   2.1038   26.069   7.3967   20.344   9.4521   35.114   11.881   11.637   3.0037   15.363   2.9868 -3.725618 4.235907 
1 1 1   31   10  -10 o   6.5879   2.4974   4.6805   6.0781   4.6084   8.0536   4.7760   9.2645   7.1320   2.8265   7.4973   3.0114 -0.3652959 4.130071 
1 1 1   31   10   -9 o   14.281   1.7007   28.433   6.3952   26.407   8.7896   30.711   9.3221   13.472   2.5219   14.574   2.4696 -1.102578 3.529740 
1 1 1   31   10   -8 o   15.813   1.5869   34.620   6.6490   27.425   9.1652   42.615   9.6606   13.714   2.5829   17.373   2.1139 -3.658937 3.337672 
1 1 1   31   10   -7 o   12.426   2.0504   21.974   6.6047   14.809   9.0862   30.002   9.6174   10.036   3.0779   14.360   2.5888 -4.323792 4.021856 
1 1 1   31   10   -6 o   30.916   1.1331  129.741   9.4089  119.970   11.927  145.845   15.311   29.572   1.5066   32.490   1.7612 -2.918062 2.317631 
1 1 1   31   10   -5 o   14.543   1.8174   29.599   6.9440   34.040   9.9012   25.301   9.7414   15.364   2.4841   13.065   2.8558 2.299294 3.785004 
1 1 1   31   10   -4 o   18.781   1.5226   48.582   7.6146   53.460   11.177   44.356   10.403   19.466   2.1749   17.685   2.2402 1.780291 3.122240 
1 1 1   31   10   -3 o   32.953   0.9989  147.039   8.8412  145.157   12.044  149.238   13.019   32.622   1.3746   33.042   1.4670 -0.4199371 2.010386 
1 1 1   31   10   -2 o   21.904   1.3400   65.626   7.8456   56.073   11.287   74.556   10.913   19.958   2.1390   23.202   1.7643 -3.244699 2.772757 
1 1 1   31   10   -1 o   7.7345   2.6974   7.8449   6.8853   6.7774   9.7246   8.9181   9.7499   8.0592   3.1321   8.5556   3.1797 -0.4963799 4.463205 
1 1 1   31   10    0 o   22.589   1.3683   69.832   8.2625   65.954   12.000   73.327   11.394   21.684   2.0861   22.970   1.8628 -1.285690 2.796739 
1 1 1   31   10    1 o   16.783   2.0097   39.585   8.8789   54.910   14.030   29.348   11.467   19.459   2.7618   13.987   3.1306 5.472696 4.174739 
1 1 1   31   10    2 o   14.762   2.1726   30.972   8.3565   35.368   10.542   23.541   13.707   15.620   2.6045   12.388   3.7770 3.232318 4.587913 
1 1 1   31   10    3 o   8.6204   2.9576   10.120   8.2609   6.6146   11.502   13.855   11.872   8.4231   3.3652   10.020   3.5386 -1.596560 4.883225 
1 1 1   31   10    4 o   26.189   1.3441   93.726   9.4226   79.229   13.135  109.097   13.525   23.784   2.0769   28.071   1.8034 -4.286335 2.750610 
1 1 1   31   10    5 o   7.6001   2.8511   6.6462   7.8750   2.2621   10.584   12.084   11.787   7.3892   3.1166   9.6065   3.5088 -2.217224 4.693080 
1 1 1   31   10    6 o   15.414   2.0597   33.558   8.3142   36.844   10.942   29.069   12.789   15.924   2.6516   13.782   3.4600 2.141712 4.359143 
1 1 1   31   10    7 o   19.513   1.6075   52.577   8.3496   64.349   10.979   36.426   12.859   21.479   1.9234   15.587   3.1793 5.891811 3.715838 
1 1 1   31   10    8 o   24.368   1.3884   81.306   9.0498   78.018   11.354   87.035   14.986   23.717   1.7956   24.827   2.2726 -1.110210 2.896360 
1 1 1   31   10    9 o   10.396   2.8279   16.035   8.1056   24.393   10.214   1.8200   13.321   12.752   3.0274   8.0358   3.4464 4.716028 4.587258 
1 1 1   31   10   10 o   12.428   2.6566   22.741   8.5993   16.983   10.951   32.003   13.888   10.691   3.3944   14.383   3.6026 -3.691467 4.949862 
1 1 1   31   10   11 o   8.6983   3.0264   10.267   8.6644   3.1229   11.698   18.948   12.896   7.8182   3.2859   11.247   3.6931 -3.428688 4.943320 
1 1 1   31   10   12 o   5.5202   2.5463  -5.8350   8.7860  -2.0784   10.066 -17.8478   18.001   6.5062   2.8875   7.1788   3.4148 -0.6725621 4.471934 
1 1 1   31   10   13 o   18.452   1.8284   47.547   8.9424   50.398   11.339   42.856   14.544   18.804   2.2926   16.795   3.3417 2.009148 4.052492 
1 1 1   31   10   14 o   22.110   1.5370   67.414   9.0708   65.608   11.267   70.740   15.291   21.634   1.9604   22.118   2.6252 -0.4833870 3.276412 
1 1 1   31   10   15 o   28.113   1.2861  107.850   9.7114  127.553   13.287   85.252   14.230   30.385   1.6341   24.549   2.1808 5.835688 2.725041 
1 1 1   31   10   16 o   5.5118   2.4901  -3.2402   7.8564  -4.9605   10.573  -1.1193   11.740   6.2443   2.8476   7.1231   3.1418 -0.8787956 4.240262 
1 1 1   31   10   17 o   32.434   1.0988  143.074   9.5722  153.660   13.450  132.208   13.626   33.433   1.4978   30.897   1.6480 2.536285 2.226899 
1 1 1   31   10   18 o   13.857   2.3180   27.915   8.3228   25.370   11.409   30.810   12.169   12.762   3.3029   14.096   3.2763 -1.334620 4.652168 
1 1 1   31   10   19 o   8.0993   2.8734   8.8923   7.8369  -4.1087   10.640   24.312   11.587   6.3338   2.8761   12.424   3.3817 -6.090187 4.439328 
1 1 1   31   10   20 o   14.578   2.1683   30.733   8.2317   28.757   11.366   32.913   11.938   13.581   3.1731   14.571   3.1426 -0.9902096 4.465919 
1 1 1   31   10   21 o   18.845   1.8029   50.130   9.0143   62.204   11.674   32.299   14.187   20.826   2.1163   14.023   3.7094 6.803504 4.270660 
1 1 1   31   10   22 o   11.998   2.6492   21.907   8.3088   25.001   11.236   18.174   12.342   12.487   3.3003   10.685   3.6155 1.801534 4.895283 
1 1 1   31   10   23 o   5.8322   2.5742  -0.8016   7.8939  -0.6804   11.157  -0.9231   11.171   6.8521   3.0405   6.8211   3.0338 0.3097248E-01 4.295172 
1 1 1   31   10   24 o   18.796   1.8106   50.328   9.0276   32.283   12.429   70.477   13.134   14.067   3.3395   21.935   2.2617 -7.867817 4.033300 
1 1 1   31   10   25 o   10.558   2.8123   17.606   8.1179   11.546   11.385   23.872   11.578   8.9618   3.4131   11.942   3.4291 -2.980223 4.838188 
1 1 1   31   10   26 o   16.215   1.9201   38.115   8.2000   46.610   11.567   29.531   11.626   17.506   2.5338   13.348   3.2689 4.157681 4.135920 
1 1 1   31   10   27 o   5.0230   2.3821  -7.9511   8.6328  -6.8654   12.241  -9.0254   12.176   6.2528   2.9251   6.0217   2.8479 0.2311654 4.082470 
1 1 1   31   10   28 o   9.5459   3.4532   15.172   11.376   23.380   19.752   11.098   13.916   11.053   4.4120   8.9108   3.6494 2.142528 5.725731 
1 1 1   31   10   29 o   9.3860   3.7617   14.293   14.421   19.010   28.721   12.704   16.676   10.543   4.7624   9.2855   3.9139 1.257665 6.164348 
1 1 1   31   10   30 o   22.537   2.6013   80.040   15.457   74.530   30.739   81.904   17.882   16.284   5.6983   22.172   3.0866 -5.887125 6.480590 
1 1 1   31   11  -23 o   14.191   5.3087   45.890   27.264   45.890   27.264   0.0000   0.0000   14.191   5.3087  ?   ?  0.000000 5.308707 
1 1 1   31   11  -22 o   7.2000   3.3769  -8.4669   16.498  -8.4669   16.498   0.0000   0.0000   7.2000   3.3769  ?   ?  0.000000 3.376930 
1 1 1   31   11  -21 o   24.536   3.0134   93.719   19.441   93.719   19.441   0.0000   0.0000   24.536   3.0134  ?   ?  0.000000 3.013362 
1 1 1   31   11  -20 o   19.853   2.8870   60.530   14.943   79.136   19.491   34.000   23.274   22.268   3.3635   13.291   4.9180 8.977403 5.958206 
1 1 1   31   11  -19 o   7.2099   3.2054  -0.6216   12.458   5.6422   17.413  -7.1901   17.831   9.0169   3.9041   7.7321   3.5879 1.284792 5.302325 
1 1 1   31   11  -18 o   17.684   3.0315   48.188   13.880   68.486   19.284   26.367   19.995   20.629   3.6120   12.369   4.5621 8.260044 5.818834 
1 1 1   31   11  -17 f   8.7389   3.4722   8.8607   12.182   17.728   16.896  -0.7389   17.580   10.872   4.1537   8.4047   3.7671 2.467326 5.607506 
1 1 1   31   11  -16 o   9.5433   3.2311   13.570   9.8578   11.828   17.031   14.448   12.089   9.9835   4.0570   9.9178   3.5634 0.6569481E-01 5.399729 
1 1 1   31   11  -15 o   5.3522   2.5307  -9.3357   9.6042 -34.0605   16.438   3.4803   11.834   5.6788   2.8184   7.7778   3.2888 -2.099055 4.331259 
1 1 1   31   11  -14 o   14.684   2.8228   32.399   10.729   2.9420   23.740   39.959   12.027   9.9728   4.4297   16.332   2.8451 -6.359575 5.264695 
1 1 1   31   11  -13 o   12.474   3.1682   24.036   10.635   36.650   22.213   20.285   12.114   14.505   4.8506   11.401   3.5635 3.104357 6.018915 
1 1 1   31   11  -12 o   19.343   1.4529   51.649   7.4929   47.655   9.3055   59.014   12.636   18.394   1.9115   20.251   2.3677 -1.857445 3.043020 
1 1 1   31   11  -11 o   6.7912   2.5314   5.3883   6.1885   8.8411   8.3776   1.2413   9.1813   8.2117   2.9644   6.7271   2.8725 1.484551 4.127852 
1 1 1   31   11  -10 o   24.908   1.1823   84.507   7.9097   87.335   9.8852   79.474   13.188   25.187   1.4676   23.725   2.0909 1.462051 2.554564 
1 1 1   31   11   -9 o   26.738   1.1517   97.281   8.2713   98.635   10.572   95.144   13.281   26.774   1.4759   26.085   1.9088 0.6885014 2.412817 
1 1 1   31   11   -8 o   24.626   1.2522   82.900   8.2553   92.446   12.069   74.508   11.317   25.797   1.7523   23.109   1.8385 2.688644 2.539746 
1 1 1   31   11   -7 o   27.282   1.0678  101.057   7.8245   93.502   10.925  109.014   11.211   26.034   1.5697   28.155   1.4879 -2.120504 2.162830 
1 1 1   31   11   -6 o   35.477   0.9392  170.452   8.9493  171.443   12.530  169.420   12.786   35.438   1.3165   35.212   1.3519 0.2253265 1.886984 
1 1 1   31   11   -5 o   22.431   1.4297   69.137   8.5689   80.221   13.071   60.783   11.348   23.890   2.0571   20.772   2.0612 3.117836 2.912037 
1 1 1   31   11   -4 o   7.1063   2.6598   5.8282   6.8460   7.8197   9.5171   3.6928   9.8551   8.2080   3.1218   7.4124   3.0575 0.7955556 4.369670 
1 1 1   31   11   -3 o   12.114   2.4589   21.465   7.7274   21.478   10.797   21.452   11.064   11.860   3.2795   11.842   3.3360 0.1821327E-01 4.678041 
1 1 1   31   11   -2 o   13.480   2.1042   25.930   7.3700   23.106   10.286   28.909   10.565   12.347   3.1048   13.912   2.9204 -1.565479 4.262442 
1 1 1   31   11   -1 o   19.821   1.4885   54.127   7.8665   59.781   11.302   48.814   10.956   20.602   2.0705   18.520   2.2486 2.081942 3.056640 
1 1 1   31   11    0 o   5.2657   2.4067  -4.2837   7.6058 -14.9009   11.050   5.2735   10.484   5.3780   2.5892   7.8861   3.1908 -2.508091 4.109131 
1 1 1   31   11    1 o   27.998   1.2768  106.863   9.6017  105.031   12.992  109.069   14.253   27.518   1.7671   27.971   1.9086 -0.4529781 2.601017 
1 1 1   31   11    2 o   7.7279   2.8018   7.5217   7.4957   8.6654   11.108   6.5654   10.157   8.7078   3.3576   8.0710   3.1819 0.6367712 4.625834 
1 1 1   31   11    3 o   7.5308   2.7523   7.0002   7.2535   10.358   9.9390   3.1741   10.610   8.8884   3.2258   7.5218   3.1432 1.366624 4.503932 
1 1 1   31   11    4 o   13.189   2.2480   25.046   7.6778   27.148   10.831   22.924   10.885   13.403   3.0740   12.247   3.2538 1.156066 4.476270 
1 1 1   31   11    5 o   18.424   1.7539   47.294   8.5745   43.415   12.588   50.652   11.711   17.167   2.8287   18.803   2.3717 -1.636475 3.691381 
1 1 1   31   11    6 o   4.3590   2.1198 -12.9485   7.8922  -5.6402   11.604 -19.2379   10.765   6.5072   2.9736   4.9288   2.4138 1.578455 3.830002 
1 1 1   31   11    7 o   25.445   1.2699   88.305   8.6791   87.741   11.844   88.958   12.755   25.128   1.7661   25.239   1.8954 -0.1106567 2.590662 
1 1 1   31   11    8 o   17.229   1.7601   41.456   8.0303   43.871   10.906   38.596   11.868   17.459   2.3883   16.140   2.8414 1.318520 3.711852 
1 1 1   31   11    9 o   25.525   1.3294   89.270   9.0829   97.165   12.096   79.065   13.753   26.464   1.7109   23.617   2.1932 2.847040 2.781564 
1 1 1   31   11   10 o   4.8950   2.3219  -8.9267   8.2100 -14.5334   11.429  -2.9488   11.801   5.5189   2.6509   6.8880   3.0869 -1.369083 4.068938 
1 1 1   31   11   11 o   17.009   1.9834   40.916   8.8910   44.291   10.908   34.234   15.348   17.520   2.3795   14.603   3.8561 2.917232 4.531180 
1 1 1   31   11   12 o   7.1747   2.7636   5.5895   7.5193   15.057   10.050  -6.4503   11.333   10.037   3.2586   6.2908   2.8982 3.746398 4.360960 
1 1 1   31   11   13 o   8.3711   2.8815   9.7735   7.8445   11.887   10.698   7.3148   11.537   9.2747   3.3496   8.4342   3.3701 0.8404427 4.751583 
1 1 1   31   11   14 o   30.985   1.2239  131.146   10.186  130.524   14.009  131.845   14.837   30.623   1.7101   30.716   1.8063 -0.9289169E-01 2.487400 
1 1 1   31   11   15 o   33.030   1.1782  148.947   10.453  160.685   13.754  132.901   16.081   34.134   1.5002   30.707   1.9601 3.427492 2.468315 
1 1 1   31   11   16 o   20.056   1.6625   56.232   8.8749   47.841   11.778   67.254   13.499   18.052   2.4960   21.528   2.3741 -3.475208 3.444698 
1 1 1   31   11   17 f   18.891   1.7016   50.111   8.5410   55.753   11.603   43.437   12.619   19.633   2.2404   16.918   2.8801 2.714787 3.648928 
1 1 1   31   11   18 o   8.8028   2.9234   11.517   8.0722   12.520   10.965   10.330   11.928   9.3046   3.3864   8.9482   3.4712 0.3564453 4.849427 
1 1 1   31   11   19 o   21.341   1.6199   63.847   9.2158   59.029   13.411   68.158   12.685   19.904   2.5685   21.673   2.2101 -1.769165 3.388436 
1 1 1   31   11   20 o   13.652   2.4142   27.891   8.5283   39.789   11.124   10.928   13.282   16.206   2.6470   9.1474   3.6284 7.058924 4.491321 
1 1 1   31   11   21 o   11.749   2.6347   21.305   8.1094   27.263   11.295   14.967   11.650   12.930   3.2548   9.7710   3.4994 3.158870 4.779037 
1 1 1   31   11   22 o   10.478   2.9088   17.526   8.4764   27.883   12.504   8.7199   11.530   12.824   3.5223   8.3935   3.3637 4.429985 4.870431 
1 1 1   31   11   23 o   15.934   2.0846   37.320   8.7076   23.891   12.149   51.505   12.487   11.779   3.5480   18.340   2.6084 -6.560575 4.403625 
1 1 1   31   11   24 o   10.308   2.9811   17.373   8.7221   12.710   13.344   20.852   11.525   9.2200   3.6432   10.994   3.4813 -1.774050 5.039117 
1 1 1   31   11   25 o   4.9646   2.3540  -7.6084   8.4233 -22.1344   12.948   3.0500   11.091   5.2047   2.5682   7.1803   3.1124 -1.975572 4.035130 
1 1 1   31   11   26 o   14.391   2.8004   33.365   10.435   45.242   20.566   29.248   12.109   14.494   4.6570   12.883   3.4362 1.610775 5.787513 
1 1 1   31   11   27 o   9.7022   3.9362   16.440   16.001 -21.9600   26.926   37.403   19.895   7.7327   3.7933   12.972   4.5807 -5.238912 5.947467 
1 1 1   31   11   28 o   7.2107   3.3607  -3.0237   15.922 -17.5500   25.613   6.1245   20.326   7.6746   3.7511   8.6383   3.9428 -0.9637074 5.442066 
1 1 1   31   12  -21 o   7.0271   3.3011  -7.4240   15.873  -7.4240   15.873   0.0000   0.0000   7.0271   3.3011  ?   ?  0.000000 3.301111 
1 1 1   31   12  -20 o   6.7477   3.2378 -14.4117   16.955 -14.4117   16.955   0.0000   0.0000   6.7477   3.2378  ?   ?  0.000000 3.237804 
1 1 1   31   12  -19 o   17.654   3.8681   54.483   17.835   54.483   17.835   0.0000   0.0000   17.654   3.8681  ?   ?  0.000000 3.868123 
1 1 1   31   12  -18 o   14.549   3.2991   34.769   12.595   33.250   17.459   36.418   18.188   13.351   4.2909   13.898   4.3701 -0.5464888 6.124456 
1 1 1   31   12  -17 o   25.038   2.0638   90.670   13.755   86.860   18.816   95.045   20.160   23.564   3.0441   24.567   3.1260 -1.003119 4.363291 
1 1 1   31   12  -16 o   17.497   2.9510   47.570   13.375   45.703   17.791   49.997   20.283   16.129   4.0983   16.499   4.4674 -0.3694801 6.062460 
1 1 1   31   12  -15 o   13.931   3.4509   31.789   12.846   46.682   18.070   16.571   18.265   16.371   4.1143   10.590   4.2373 5.780973 5.906096 
1 1 1   31   12  -14 o   21.041   2.5541   65.769   14.138   74.886   19.782   56.248   20.214   21.591   3.5334   17.973   4.2536 3.618307 5.529751 
1 1 1   31   12  -13 o   28.349   2.2940  116.464   17.318  103.600   27.980  124.452   22.048   24.511   4.4123   28.702   2.8998 -4.191053 5.279937 
1 1 1   31   12  -12 o   12.495   3.2260   24.740   10.901   19.280   24.096   26.145   12.224   11.569   4.7774   12.715   3.4786 -1.145626 5.909637 
1 1 1   31   12  -11 o   6.1102   2.8096  -5.4477   10.581   2.0490   21.942  -7.7193   12.078   9.4688   4.2287   6.3135   2.9374 3.155344 5.148853 
1 1 1   31   12  -10 o   23.087   1.8072   74.914   11.117   72.491   18.615   76.258   13.860   21.645   3.3068   23.003   2.2730 -1.357964 4.012663 
1 1 1   31   12   -9 o   21.377   1.5623   63.509   8.9082   56.996   13.611   68.388   11.782   19.646   2.6468   21.945   2.0216 -2.298969 3.330578 
1 1 1   31   12   -8 o   16.185   1.8437   37.017   7.8721   29.012   10.616   46.795   11.733   13.785   2.9560   17.870   2.5141 -4.085066 3.880537 
1 1 1   31   12   -7 o   8.9437   3.0688   11.481   8.8942   10.533   11.252   13.059   14.521   9.0096   3.4021   9.9422   3.8374 -0.9326000 5.128398 
1 1 1   31   12   -6 o   12.219   2.5534   22.216   8.1101   14.196   12.637   27.833   10.575   9.9763   3.6348   13.497   2.9953 -3.521189 4.709958 
1 1 1   31   12   -5 o   11.803   2.4316   20.576   7.4521   15.665   11.006   24.733   10.127   10.205   3.4143   12.708   3.0127 -2.502768 4.553436 
1 1 1   31   12   -4 o   12.946   2.4900   24.726   8.3435   23.718   12.945   25.443   10.913   12.216   3.6584   12.822   3.1834 -0.6059437 4.849568 
1 1 1   31   12   -3 o   29.432   1.0990  117.901   8.6883  116.719   12.415  119.034   12.163   29.031   1.5984   29.345   1.5486 -0.3144455 2.225557 
1 1 1   31   12   -2 o   9.8339   2.6364   14.471   7.1059   14.641   9.8495   14.287   10.262   9.8992   3.2265   9.8285   3.2968 0.7079029E-01 4.612935 
1 1 1   31   12   -1 o   8.9395   2.9583   11.571   8.2684   8.5091   11.665   14.661   11.721   8.6937   3.4156   10.029   3.5183 -1.335072 4.903500 
1 1 1   31   12    0 o   13.867   2.0563   27.519   7.4266   25.790   10.403   29.315   10.605   12.988   3.0365   13.920   2.9293 -0.9315205 4.219160 
1 1 1   31   12    1 o   42.105   0.9270  240.344   10.484  253.976   14.654  226.054   15.004   43.109   1.2656   40.606   1.3757 2.502525 1.869352 
1 1 1   31   12    2 o   6.2872   2.6351   1.8653   7.4891   3.5159   10.418   0.1001   10.773   7.4687   3.1173   6.9928   3.0490 0.4759254 4.360497 
1 1 1   31   12    3 o   18.387   1.7729   47.374   8.6472   34.475   12.803   58.195   11.726   14.921   3.2836   20.181   2.1989 -5.259920 3.951856 
1 1 1   31   12    4 o   6.3839   2.6537   2.3055   7.5057  -1.3629   9.9886   7.0631   11.375   6.5266   2.8874   8.3463   3.3423 -1.819697 4.416817 
1 1 1   31   12    5 o   25.018   1.2698   85.799   8.5045   89.042   11.669   82.125   12.421   25.271   1.7296   24.156   1.9305 1.114767 2.591975 
1 1 1   31   12    6 o   23.507   1.4386   76.242   9.0392   60.203   12.866   91.877   12.703   20.399   2.3936   25.591   1.8608 -5.191908 3.031822 
1 1 1   31   12    7 o   11.955   2.7217   21.557   8.5433   34.740   12.551   10.174   11.662   14.981   3.2153   8.9950   3.4475 5.986019 4.714172 
1 1 1   31   12    8 o   11.680   2.7282   20.634   8.4040   18.427   12.136   22.668   11.649   10.885   3.5831   11.967   3.4407 -1.082244 4.967567 
1 1 1   31   12    9 o   6.1372   2.6754  -0.1811   8.2914 -14.0592   11.791   13.394   11.662   5.6334   2.7023   9.6622   3.4961 -4.028819 4.418713 
1 1 1   31   12   10 o   21.542   1.5695   64.556   9.0187   58.340   11.593   74.085   14.354   20.155   2.1759   22.582   2.4036 -2.426596 3.242192 
1 1 1   31   12   11 o   6.2432   2.6666   1.1611   7.9157   4.5910   10.437  -3.4839   12.146   7.5985   3.1414   6.8216   3.0877 0.7768679 4.404818 
1 1 1   31   12   12 o   13.688   2.3461   27.612   8.3152   31.475   11.025   22.515   12.664   14.283   2.9705   11.765   3.6380 2.518091 4.696673 
1 1 1   31   12   13 o   26.104   1.3531   94.089   9.4545   97.288   13.293   90.814   13.449   26.200   1.9020   25.240   2.0003 0.9601536 2.760191 
1 1 1   31   12   14 o   5.7202   2.5704  -2.2793   8.2409   2.2312   11.398  -7.2190   11.928   7.3654   3.1739   6.2767   2.9199 1.088738 4.312725 
1 1 1   31   12   15 o   22.867   1.5412   73.059   9.4108   76.309   12.756   69.178   13.941   23.009   2.0867   21.634   2.4419 1.375448 3.212034 
1 1 1   31   12   16 o   5.9195   2.6512  -1.8117   8.6900   12.595   12.032 -17.5184   12.564   9.3121   3.5177   5.5118   2.6791 3.800294 4.421720 
1 1 1   31   12   17 o   22.790   1.6118   73.100   9.8023   68.984   13.907   77.164   13.819   21.511   2.4507   22.914   2.2755 -1.402586 3.344220 
1 1 1   31   12   18 o   12.678   2.9028   25.522   9.6715   36.199   15.698   18.989   12.279   14.263   3.9581   10.644   3.6061 3.619317 5.354473 
1 1 1   31   12   19 o   15.938   2.3191   38.038   9.6367   50.202   13.304   24.612   13.977   17.896   2.8645   11.776   3.8438 6.119910 4.793790 
1 1 1   31   12   20 o   19.093   1.7993   52.422   9.1188   53.767   13.926   51.412   12.065   18.424   2.9108   18.359   2.5127 0.6498718E-01 3.845306 
1 1 1   31   12   21 o   13.214   2.7039   27.620   9.2732   15.169   15.204   34.996   11.702   9.7248   3.8743   14.603   3.0803 -4.878384 4.949564 
1 1 1   31   12   22 o   15.467   2.4622   36.906   9.8859   43.796   13.521   28.992   14.491   16.167   3.2267   12.423   3.8999 3.744789 5.061676 
1 1 1   31   12   23 o   6.4826   2.8281   1.6945   9.2803   10.884   14.305  -4.9829   12.194   8.7993   3.6611   6.3401   2.9504 2.459188 4.701953 
1 1 1   31   12   24 o   5.2640   2.5120  -8.9375   9.9047   6.9805   14.710 -22.1388   13.396   8.1985   3.5690   5.2587   2.5981 2.939749 4.414543 
1 1 1   31   12   25 o   12.109   4.0572   30.160   15.541   50.480   25.916   18.751   19.420   13.663   5.1623   9.9406   4.2087 3.722511 6.660524 
1 1 1   31   13  -20 o   9.4249   4.3350   9.3700   25.213   9.3700   25.213   0.0000   0.0000   9.4249   4.3350  ?   ?  0.000000 4.334993 
1 1 1   31   13  -19 o   6.5795   3.1639 -13.1762   16.386 -13.1762   16.386   0.0000   0.0000   6.5795   3.1639  ?   ?  0.000000 3.163883 
1 1 1   31   13  -18 o   8.2845   3.6549   5.3515   15.895   5.3515   15.895   0.0000   0.0000   8.2845   3.6549  ?   ?  0.000000 3.654887 
1 1 1   31   13  -17 o   18.138   3.6714   57.526   17.273   57.526   17.273   0.0000   0.0000   18.138   3.6714  ?   ?  0.000000 3.671441 
1 1 1   31   13  -16 o   14.861   3.1798   36.502   12.309   41.245   17.566   31.928   17.253   14.697   4.2250   12.814   4.2748 1.882264 6.010355 
1 1 1   31   13  -15 o   6.1037   2.8639  -7.4988   11.886   0.1004   15.942 -17.0131   17.838   7.8369   3.5433   6.7629   3.2644 1.074066 4.817750 
1 1 1   31   13  -14 o   13.843   3.3777   32.137   12.447   35.015   17.121   28.910   18.129   13.650   4.2314   12.325   4.3706 1.325177 6.083314 
1 1 1   31   13  -13 o   12.452   3.5831   26.586   12.629   27.798   17.709   25.333   18.016   12.224   4.3212   11.760   4.3315 0.4638939 6.118384 
1 1 1   31   13  -12 o   5.3053   2.5838 -17.0542   11.847 -22.4738   15.707  -9.9022   18.043   5.9943   2.9314   7.4176   3.4954 -1.423295 4.561928 
1 1 1   31   13  -11 o   8.8011   3.9993   0.3203   20.622  -2.4340   24.040   7.9920   40.122   9.0601   4.1906   11.237   5.2692 -2.177323 6.732408 
1 1 1   31   13  -10 o   7.1967   3.3218  -5.5242   14.989 -31.1600   24.873   9.0951   18.783   7.4623   3.6577   9.5292   4.0898 -2.066934 5.486812 
1 1 1   31   13   -9 o   11.415   4.0293   22.111   15.392   26.490   23.668   18.901   20.262   12.174   4.8389   11.012   4.4427 1.162778 6.569061 
1 1 1   31   13   -8 o   8.8098   3.7499   6.6290   15.557   26.830   25.239  -5.7491   19.756   12.300   4.9598   8.2027   3.7957 4.097208 6.245562 
1 1 1   31   13   -7 o   5.7363   2.5973  -2.9610   8.6023   5.5494   10.212 -23.7594   15.964   7.6551   3.1296   6.0449   2.9560 1.610193 4.304927 
1 1 1   31   13   -6 o   13.913   2.2325   28.431   8.0607   22.326   11.039   35.403   11.797   11.749   3.3401   15.070   3.0199 -3.320086 4.502922 
1 1 1   31   13   -5 o   10.632   2.7551   17.441   7.9318   18.157   11.045   16.679   11.398   10.662   3.4114   10.291   3.4744 0.3709707 4.869240 
1 1 1   31   13   -4 o   28.342   1.2059  110.110   9.1800  125.338   13.497   97.004   12.522   29.907   1.6872   26.232   1.7880 3.675112 2.458318 
1 1 1   31   13   -3 o   19.966   1.5755   55.714   8.3806   53.111   12.238   58.012   11.500   18.978   2.4586   20.035   2.1719 -1.056818 3.280523 
1 1 1   31   13   -2 o   7.1255   2.8512   4.9896   8.2704  -4.3835   13.422   10.727   10.501   7.0233   3.2050   8.8404   3.2970 -1.817010 4.598091 
1 1 1   31   13   -1 o   10.950   2.6962   18.354   7.8772   20.777   11.504   16.216   10.809   11.355   3.4597   10.195   3.3827 1.160547 4.838643 
1 1 1   31   13    0 o   18.780   1.9966   50.448   9.9169   51.187   12.460   49.169   16.379   18.565   2.5675   17.409   3.6209 1.156227 4.438816 
1 1 1   31   13    1 o   22.226   1.4893   68.667   8.8392   86.530   13.075   53.630   11.996   24.645   1.9923   19.128   2.3869 5.516968 3.109080 
1 1 1   31   13    2 o   8.1801   2.9264   9.3037   8.1447   24.974   12.578  -2.0111   10.688   12.345   3.5828   6.5657   2.9404 5.779045 4.634892 
1 1 1   31   13    3 o   21.109   1.6123   62.353   9.0721   62.192   13.182   62.497   12.504   20.572   2.4328   20.727   2.2841 -0.1543007 3.336972 
1 1 1   31   13    4 o   16.601   2.0309   39.654   8.8669   53.142   13.783   30.131   11.582   18.715   2.8304   13.790   3.1903 4.924280 4.264835 
1 1 1   31   13    5 o   7.2123   2.8741   5.3278   8.3695  -5.7262   12.348   14.723   11.384   6.5653   3.0249   9.8209   3.4653 -3.255551 4.599829 
1 1 1   31   13    6 o   20.136   1.6127   56.851   8.6488   58.885   12.391   54.918   12.077   20.042   2.3464   19.327   2.3766 0.7142067 3.339698 
1 1 1   31   13    7 o   5.2843   2.4452  -5.1312   8.1978  -6.4893   11.505  -3.7303   11.684   6.2202   2.8848   6.5966   3.0025 -0.3763628 4.163790 
1 1 1   31   13    8 o   7.1468   2.9201   4.5812   8.8835  -7.4375   13.615   13.491   11.723   6.6982   3.1172   9.5135   3.4955 -2.815248 4.683542 
1 1 1   31   13    9 o   23.713   1.7078   79.328   10.805   73.803   15.914   84.053   14.716   22.062   2.7449   23.942   2.3174 -1.880136 3.592317 
1 1 1   31   13   10 o   9.1046   3.1220   12.674   9.2047   2.2323   14.896   19.124   11.707   8.0551   3.5467   10.784   3.5178 -2.728411 4.995376 
1 1 1   31   13   11 o   6.0342   2.6648  -0.5457   8.4703 -11.6430   12.393   9.1833   11.604   5.9215   2.8213   8.5354   3.3896 -2.613941 4.410105 
1 1 1   31   13   12 o   9.2165   3.0776   13.282   8.9419   0.3143   11.987   29.555   13.427   7.1263   3.1573   13.120   3.6677 -5.993335 4.839548 
1 1 1   31   13   13 o   11.541   2.9299   21.342   9.0986   20.172   12.733   22.563   13.006   10.886   3.6723   11.429   3.7068 -0.5430126 5.217818 
1 1 1   31   13   14 o   13.333   2.6039   27.503   8.9901   40.202   12.945   15.672   12.495   15.721   3.1750   9.8361   3.6096 5.885009 4.807300 
1 1 1   31   13   15 o   8.0575   3.0011   9.2834   8.6947   17.234   12.754   2.3808   11.884   10.128   3.6575   7.3175   3.1961 2.810754 4.857215 
1 1 1   31   13   16 o   19.370   1.9566   54.698   10.040   59.893   13.408   48.065   15.149   19.720   2.5943   16.826   3.4675 2.894106 4.330572 
1 1 1   31   13   17 o   8.7001   3.3316   11.434   10.886   25.237   14.740  -5.1271   16.146   11.626   3.9509   7.2682   3.3865 4.357486 5.203665 
1 1 1   31   13   18 o   6.5785   2.8659   1.7722   9.5003  -8.7053   13.051   13.583   13.856   6.2162   2.9425   9.2749   3.6974 -3.058722 4.725376 
1 1 1   31   13   19 o   22.530   1.7867   73.567   10.723   91.904   14.558   51.821   15.854   24.722   2.2159   17.145   3.5592 7.577173 4.192649 
1 1 1   31   13   20 o   13.332   3.1295   30.353   11.015   37.370   15.981   24.004   15.202   13.751   4.0522   11.047   3.9925 2.703114 5.688629 
1 1 1   31   13   21 o   7.8838   3.2647   8.0998   11.299   14.664   16.058   1.6632   15.901   9.3238   3.8790   7.6771   3.4976 1.646698 5.223033 
1 1 1   31   13   22 o   4.8571   2.3968 -18.6652   11.286 -25.2200   16.602 -13.0348   15.387   5.7748   2.8602   6.2519   3.0211 -0.4770541 4.160255 
1 1 1   31   14  -19 f   10.868   4.6858   30.470   24.871   30.470   24.871   0.0000   0.0000   10.868   4.6858  ?   ?  0.000000 4.685802 
1 1 1   31   14  -18 o   12.325   5.0032   42.380   25.867   42.380   25.867   0.0000   0.0000   12.325   5.0032  ?   ?  0.000000 5.003172 
1 1 1   31   14  -17 f   7.1148   3.3547  -5.2630   16.666  -5.2630   16.666   0.0000   0.0000   7.1148   3.3547  ?   ?  0.000000 3.354746 
1 1 1   31   14  -16 o   11.137   4.6788   28.460   23.701   28.460   23.701   0.0000   0.0000   11.137   4.6788  ?   ?  0.000000 4.678805 
1 1 1   31   14  -15 o   7.6874   3.4000   3.9834   13.840  -0.9698   17.141   13.260   23.458   7.6695   3.5443   9.6461   4.3354 -1.976607 5.599788 
1 1 1   31   14  -14 o   8.8013   3.4140   12.261   11.537   14.044   16.408   10.517   16.226   9.4053   3.9177   8.8979   3.8095 0.5073690 5.464542 
1 1 1   31   14  -13 o   8.5916   3.5245   10.238   13.006   15.855   18.448   4.6869   18.341   9.8284   4.1283   8.4960   3.8246 1.332351 5.627647 
1 1 1   31   14  -12 o   7.9265   3.4258   5.4480   13.359  -5.6069   15.938   31.560   24.495   7.1459   3.3412   11.940   4.8604 -4.794507 5.898070 
1 1 1   31   14  -11 o   22.849   2.2811   78.380   13.812   85.231   18.905   70.536   20.228   22.781   3.1760   19.757   3.9500 3.023949 5.068438 
1 1 1   31   14  -10 o   6.9920   3.2415  -4.6580   14.507 -14.3000   21.839   2.9567   19.408   7.6166   3.6601   8.5936   3.8952 -0.9769502 5.344986 
1 1 1   31   14   -9 o   23.385   2.6733   84.617   16.489   87.730   26.014   82.526   21.319   21.124   4.7056   21.762   3.7848 -0.6380157 6.038787 
1 1 1   31   14   -8 o   17.569   3.5775   52.734   16.308   63.700   26.879   46.346   20.516   16.795   5.3164   15.156   4.6207 1.638595 7.043819 
1 1 1   31   14   -7 o   18.431   3.4470   56.817   16.437   86.410   26.543   38.411   20.933   20.913   4.8239   13.670   4.7069 7.242786 6.739858 
1 1 1   31   14   -6 o   7.2942   3.2088   1.6757   12.169   11.569   15.844 -12.5527   19.001   9.3249   3.8641   7.3245   3.4908 2.000484 5.207404 
1 1 1   31   14   -5 o   15.992   2.9418   40.579   12.170   39.148   12.904   52.100   36.609   15.476   3.2096   14.107   5.8620 1.369761 6.683125 
1 1 1   31   14   -4 o   15.201   2.9494   36.719   11.608   40.825   12.107 -10.0100   40.845   16.080   2.9104   10.149   4.9087 5.930397 5.706632 
1 1 1   31   14   -3 o   5.0039   2.4065 -11.3204   9.4863  -8.3263   12.779 -14.9952   14.158   6.2965   2.9592   6.0869   2.9305 0.2096515 4.164680 
1 1 1   31   14   -2 o   12.214   2.7991   23.559   8.9857   30.726   11.862   13.909   13.765   13.638   3.2787   9.5884   3.7263 4.049770 4.963369 
1 1 1   31   14   -1 o   7.4875   3.0516   5.8237   9.6711   0.1118   11.334   21.119   18.547   6.9120   3.0659   11.040   4.3157 -4.128425 5.293881 
1 1 1   31   14    0 o   9.0164   3.0665   12.670   8.8792   7.3836   11.451   20.642   14.062   8.1129   3.3151   10.945   3.8526 -2.831981 5.082601 
1 1 1   31   14    1 o   6.2929   2.7826  -0.2741   9.2646   13.697   12.463 -17.5319   13.851   9.4577   3.5783   5.8246   2.8269 3.633193 4.560214 
1 1 1   31   14    2 o   11.097   3.0545   20.014   9.3916   15.813   11.687   27.672   15.780   9.8772   3.5084   12.325   4.0871 -2.447385 5.386427 
1 1 1   31   14    3 o   8.0196   3.0246   8.8709   8.8860   1.5035   11.209   21.335   14.579   7.0765   3.0971   11.060   3.9196 -3.983295 4.995520 
1 1 1   31   14    4 o   20.033   1.8237   57.569   9.7053   62.235   12.426   50.268   15.542   20.462   2.3008   17.377   3.4516 3.085653 4.148162 
1 1 1   31   14    5 o   6.1638   2.7747  -1.7897   9.6526  -2.6763   12.702  -0.5778   14.850   6.8690   3.1281   7.5878   3.4262 -0.7188559 4.639370 
1 1 1   31   14    6 o   10.137   3.4271   17.108   11.090   1.8010   17.067   28.293   14.589   8.2401   3.7012   12.510   3.9107 -4.270350 5.384488 
1 1 1   31   14    7 o   5.3557   2.5354  -8.3232   9.6947 -11.9859   11.228   2.4104   19.220   5.4874   2.6335   8.6119   3.8924 -3.124534 4.699598 
1 1 1   31   14    8 o   15.244   2.4589   35.472   9.7248   41.884   12.574   25.928   15.341   16.130   3.0131   11.843   4.0307 4.286950 5.032386 
1 1 1   31   14    9 o   8.0895   3.0996   9.1762   9.4257   8.7094   12.097   9.8975   15.038   8.3474   3.4088   8.9055   3.7333 -0.5581760 5.055400 
1 1 1   31   14   10 o   6.5874   2.9543  -0.6828   10.830 -13.5672   16.261   9.5876   14.518   6.6150   3.1733   8.7661   3.6711 -2.151056 4.852517 
1 1 1   31   14   11 o   7.4124   3.1330   4.9303   10.733   7.5330   14.156   1.4119   16.459   8.3805   3.5724   7.9653   3.6009 0.4152646 5.072302 
1 1 1   31   14   12 o   9.9745   3.1835   16.832   9.6229   19.954   12.671   12.577   14.792   10.558   3.6606   9.1815   3.7616 1.376925 5.248776 
1 1 1   31   14   13 o   17.184   2.3120   44.953   10.401   43.999   12.949   46.687   17.458   16.310   3.0686   15.585   4.1113 0.7253799 5.130244 
1 1 1   31   14   14 o   21.036   1.9778   65.305   11.044   72.351   13.908   53.282   18.168   21.672   2.4313   16.668   4.0890 5.003279 4.757210 
1 1 1   31   14   15 o   11.055   3.2834   21.590   10.459   17.589   14.879   25.499   14.706   9.8561   3.8619   11.400   3.9441 -1.543602 5.520015 
1 1 1   31   14   16 o   5.8540   2.7223  -4.4906   10.354   7.6706   12.855 -26.9475   17.469   8.0197   3.4111   5.9122   2.9292 2.107434 4.496211 
1 1 1   31   14   17 f   11.214   3.3036   22.711   10.623   20.655   13.593   25.937   17.029   10.334   3.7690   11.057   4.1829 -0.7230978 5.630489 
1 1 1   31   14   18 o   11.093   3.6386   23.874   12.519   16.188   16.043   35.842   20.019   9.4061   3.8923   12.236   4.5545 -2.830018 5.991113 
1 1 1   31   14   19 f   10.204   3.7190   20.720   13.230   16.243   15.038   36.060   27.834   9.3120   3.8014   11.251   4.9034 -1.939058 6.204340 
1 1 1   31   15  -15 o   9.0899   3.8971   15.351   17.022   15.351   17.022   0.0000   0.0000   9.0899   3.8971  ?   ?  0.000000 3.897106 
1 1 1   31   15  -14 o   11.487   4.1200   29.293   16.154   29.293   16.154   0.0000   0.0000   11.487   4.1200  ?   ?  0.000000 4.120041 
1 1 1   31   15  -13 o   14.026   3.2782   35.359   12.128   65.499   17.474   7.3411   16.847   18.821   3.5877   8.2451   3.6922 10.57552 5.148156 
1 1 1   31   15  -12 o   10.574   3.5934   21.515   12.193   26.920   16.160   14.372   18.578   11.207   4.1062   9.2335   4.0152 1.973248 5.743074 
1 1 1   31   15  -11 o   6.4246   2.9506  -1.9809   11.621  -1.1981   15.868  -2.8866   17.068   7.3218   3.3929   7.3591   3.4462 -0.3732872E-01 4.836091 
1 1 1   31   15  -10 o   12.563   3.5722   29.523   12.625   38.989   17.303   18.745   18.463   13.553   4.2626   9.9103   4.1443 3.642797 5.945137 
1 1 1   31   15   -9 o   5.5462   2.6711 -11.5906   11.786 -24.0775   16.427   1.6586   16.921   5.8355   2.8819   7.8255   3.5816 -1.989998 4.597066 
1 1 1   31   15   -8 o   7.4962   3.3708   2.2159   14.202 -12.3900   21.387   13.735   18.993   7.4276   3.5825   9.3906   4.0717 -1.963007 5.423317 
1 1 1   31   15   -7 o   16.997   3.0476   48.224   13.402   36.159   17.874   63.716   20.254   13.048   4.3510   17.924   4.2683 -4.876425 6.095085 
1 1 1   31   15   -6 o   16.740   3.7977   51.698   16.683   83.130   29.457   36.854   20.243   18.101   5.5404   12.816   4.6104 5.285067 7.207734 
1 1 1   31   15   -5 o   14.322   3.4949   36.549   13.326   24.100   17.649   53.058   20.324   10.956   4.2301   15.889   4.5374 -4.933399 6.203329 
1 1 1   31   15   -4 o   22.948   2.4378   81.136   14.795   98.547   19.221   55.818   23.178   24.579   2.9719   15.624   4.9359 8.955116 5.761539 
1 1 1   31   15   -3 o   14.575   3.8861   39.964   15.491   35.744   17.484   55.370   33.409   13.189   4.2988   13.651   5.6301 -0.4623957 7.083580 
1 1 1   31   15   -2 o   9.3610   3.5257   14.777   12.066   16.260   13.833   10.060   24.676   9.6907   3.7440   9.5586   4.3556 0.1320429 5.743602 
1 1 1   31   15   -1 o   5.0644   2.4593 -13.5882   10.522 -11.4229   11.490 -24.8400   26.192   5.5330   2.6577   7.5701   3.7191 -2.037028 4.571167 
1 1 1   31   15    0 o   21.117   1.8293   64.872   10.273   72.825   12.919   51.193   16.942   21.998   2.2167   16.676   3.8589 5.322277 4.450275 
1 1 1   31   15    1 o   6.2774   2.7731   0.5881   9.1804 -14.1990   11.536   26.128   15.161   5.3179   2.5807   11.595   4.0050 -6.277116 4.764457 
1 1 1   31   15    2 o   10.245   3.0957   17.858   9.2386   8.0422   12.034   31.947   14.418   8.0789   3.3593   12.996   3.8539 -4.916735 5.112499 
1 1 1   31   15    3 o   23.798   1.6088   80.951   10.223   85.968   13.709   74.667   15.342   23.971   2.1522   21.737   2.6847 2.233332 3.440917 
1 1 1   31   15    4 o   21.945   1.7017   69.413   9.9517   64.220   13.325   75.963   14.965   20.345   2.4905   22.039   2.5767 -1.694614 3.583562 
1 1 1   31   15    5 o   12.680   3.0013   26.968   10.063   35.143   14.476   19.325   13.998   13.673   3.8034   10.235   3.8087 3.437784 5.382551 
1 1 1   31   15    6 o   7.9407   3.2367   8.3573   10.881   12.630   14.006   1.8540   17.280   8.9924   3.6695   7.9758   3.6385 1.016527 5.167581 
1 1 1   31   15    7 o   7.2816   3.0589   5.4973   10.130   2.3271   14.225   8.7592   14.430   7.5353   3.3822   8.4083   3.5960 -0.8729749 4.936695 
1 1 1   31   15    8 o   6.9205   2.9360   4.2736   9.4808   11.547   12.516  -5.5187   14.522   8.6497   3.4910   6.7465   3.1655 1.903220 4.712499 
1 1 1   31   15    9 o   9.1497   3.1599   14.371   9.4377   10.368   12.459   19.761   14.456   8.4076   3.4493   10.171   3.8525 -1.763104 5.171039 
1 1 1   31   15   10 o   11.678   3.1649   23.989   10.175   36.025   12.867   3.9041   16.622   14.134   3.4252   7.9819   3.6126 6.152164 4.978247 
1 1 1   31   15   11 o   7.1689   3.0525   5.1425   10.314   11.210   14.719  -0.7114   14.457   8.6521   3.6637   7.1328   3.2814 1.519284 4.918363 
1 1 1   31   15   12 o   7.4518   3.0988   6.9488   10.241   20.830   14.493  -6.8908   14.472   10.212   3.8600   6.5193   3.0896 3.692703 4.944191 
1 1 1   31   15   13 o   7.2363   3.0900   5.5806   10.624  -0.0120   13.985   13.212   16.336   7.0579   3.2397   8.9246   3.8218 -1.866782 5.010168 
1 1 1   31   15   14 o   6.1335   2.8309  -2.3693   10.884   4.4961   14.703 -10.6925   16.189   7.6290   3.4303   6.4898   3.1268 1.139194 4.641494 
1 1 1   31   15   15 o   7.3448   3.1863   5.7926   11.644  -2.7294   14.296   22.588   20.070   6.7593   3.1617   9.9898   4.2559 -3.230476 5.301767 
1 1 1   31   16  -10 o   8.4009   3.4056   12.618   11.968   6.1835   15.459   22.245   18.907   7.7319   3.4931   9.7610   4.1438 -2.029106 5.419675 
1 1 1   31   16   -9 f   15.882   3.1262   45.102   12.861   37.785   17.587   53.513   18.856   12.524   4.3142   15.253   4.3752 -2.728898 6.144505 
1 1 1   31   16   -8 o   6.0207   2.8378  -5.0625   11.904   4.0407   16.012 -16.3123   17.800   7.6320   3.4897   6.3419   3.1055 1.290096 4.671371 
1 1 1   31   16   -7 o   4.9207   2.4401 -20.6703   12.222 -13.5274   16.830 -28.6424   17.780   6.3603   3.0936   5.7333   2.8594 0.6269169 4.212656 
1 1 1   31   16   -6 o   8.8326   3.6297   14.093   13.824 -13.3000   20.735   36.012   18.548   7.0059   3.4135   12.166   4.4080 -5.160298 5.575152 
1 1 1   31   16   -5 o   14.272   3.5075   38.540   13.350   43.001   17.878   32.917   20.071   13.732   4.3346   11.444   4.4851 2.287946 6.237385 
1 1 1   31   16   -4 o   21.373   3.0749   79.070   17.144   79.160   28.954   79.021   21.273   16.207   5.5373   19.621   4.1655 -3.414137 6.929150 
1 1 1   31   16   -3 o   22.659   2.4495   81.708   14.670  102.732   20.099   57.733   21.463   24.249   3.1610   15.472   4.7281 8.777330 5.687451 
1 1 1   31   16   -2 o   5.0106   2.5084 -29.1720   14.270 -26.6625   16.414 -36.9400   28.879   5.6008   2.7858   7.0897   3.5520 -1.488882 4.514186 
1 1 1   31   16   -1 o   20.912   3.0062   74.716   16.400   77.623   18.906   65.880   32.958   20.482   3.5663   13.505   5.5828 6.976991 6.624638 
1 1 1   31   16    0 o   10.315   3.9256   22.261   15.054   35.557   18.153  -7.0250   26.941   12.320   4.3729   8.1105   3.9378 4.209176 5.884580 
1 1 1   31   16    1 o   7.3876   3.3049   3.8306   13.463   18.659   18.008 -14.9566   20.270   9.6330   4.0642   6.9041   3.3663 2.728945 5.277302 
1 1 1   31   16    2 o   10.478   3.3528   20.644   10.668   24.816   12.427   8.9541   20.800   11.203   3.6222   8.6662   3.9680 2.536352 5.372694 
1 1 1   31   16    3 o   7.9370   3.2070   9.6993   10.576   10.568   13.884   8.4983   16.323   8.3405   3.5462   8.2654   3.6722 0.7507038E-01 5.104916 
1 1 1   31   16    4 o   15.896   2.3591   40.019   9.7667   33.172   13.242   48.186   14.463   13.010   3.6441   16.173   3.4356 -3.162919 5.008310 
1 1 1   31   16    5 o   15.031   2.6234   37.127   10.206   38.725   12.822   34.365   16.859   14.510   3.3568   12.270   4.2242 2.239724 5.395487 
1 1 1   31   16    6 o   9.2446   3.1229   15.500   9.2084   17.622   12.078   12.553   14.230   9.5262   3.5393   8.6033   3.6204 0.9229202 5.063003 
1 1 1   31   16    7 o   6.1304   2.8392  -2.4384   11.088  -4.4037   17.571  -1.1379   14.293   7.1165   3.3818   6.8932   3.2032 0.2232833 4.658036 
1 1 1   31   16    8 o   7.3549   3.0678   7.3218   10.080   20.734   14.194  -6.3285   14.319   9.9212   3.8031   6.4031   3.0457 3.518097 4.872337 
1 1 1   31   16    9 f   7.5732   3.0344   8.9053   9.3814   8.5659   12.750   9.3061   13.854   7.8128   3.3617   8.0135   3.4760 -0.2007327 4.835693 
1 1 1   31   16   10 o   7.7361   3.0729   9.7444   9.5390   0.7649   12.945   20.413   14.110   6.7962   3.1186   9.7686   3.7793 -2.972408 4.899916 
1 1 1   32    0  -34 o   12.490   5.2613   32.034   17.791   32.034   17.791   32.034   17.791   12.490   5.2613   12.490   5.2613 0.000000 0.000000 
1 1 1   32    0  -33 o   41.458   2.1847  236.747   24.173  236.747   24.173  236.747   24.173   41.458   2.1847   41.458   2.1847 0.000000 0.000000 
1 1 1   32    0  -32 o   7.8551   4.5850   11.397   16.072   11.397   16.072   11.397   16.072   7.8551   4.5850   7.8551   4.5850 0.000000 0.000000 
1 1 1   32    0  -31 o   18.888   2.7676   51.909   13.158   51.909   13.158   51.909   13.158   18.888   2.7676   18.888   2.7676 0.000000 0.000000 
1 1 1   32    0  -30 o   29.439   1.8789  118.991   14.718  118.991   14.718  118.991   14.718   29.439   1.8789   29.439   1.8789 0.000000 0.000000 
1 1 1   32    0  -29 o   6.0843   3.7293   4.7093   11.694   4.7093   11.694   4.7093   11.694   6.0843   3.7293   6.0843   3.7293 0.000000 0.000000 
1 1 1   32    0  -28 o   36.223   1.6710  178.666   16.179  178.666   16.179  178.666   16.179   36.223   1.6710   36.223   1.6710 0.000000 0.000000 
1 1 1   32    0  -27 o   29.177   1.8740  116.799   14.547  116.799   14.547  116.799   14.547   29.177   1.8740   29.177   1.8740 0.000000 0.000000 
1 1 1   32    0  -26 o   24.008   3.0762   82.899   18.945   82.899   18.945   82.899   18.945   24.008   3.0762   24.008   3.0762 0.000000 0.000000 
1 1 1   32    0  -25 o   53.825   1.4837  392.149   21.413  392.149   21.413  392.149   21.413   53.825   1.4837   53.825   1.4837 0.000000 0.000000 
1 1 1   32    0  -24 o   3.6671   2.6005 -13.7211   10.743 -13.7211   10.743 -13.7211   10.743   3.6671   2.6005   3.6671   2.6005 0.000000 0.000000 
1 1 1   32    0  -23 o   4.6673   3.1351  -4.0812   11.121  -4.0812   11.121  -4.0812   11.121   4.6673   3.1351   4.6673   3.1351 0.000000 0.000000 
1 1 1   32    0  -22 o   32.328   2.3711  144.384   20.334  144.384   20.334  144.384   20.334   32.328   2.3711   32.328   2.3711 0.000000 0.000000 
1 1 1   32    0  -21 f   11.925   5.0392   28.132   16.312   28.132   16.312   28.132   16.312   11.925   5.0392   11.925   5.0392 0.000000 0.000000 
1 1 1   32    0  -20 f   44.079   1.4835  263.027   17.519  263.027   17.519  263.027   17.519   44.079   1.4835   44.079   1.4835 0.000000 0.000000 
1 1 1   32    0  -19 o   5.0306   3.3244  -2.2983   11.662  -2.2983   11.662  -2.2983   11.662   5.0306   3.3244   5.0306   3.3244 0.000000 0.000000 
1 1 1   32    0  -18 o   5.3256   3.4180   0.6777   11.112   0.6777   11.112   0.6777   11.112   5.3256   3.4180   5.3256   3.4180 0.000000 0.000000 
1 1 1   32    0  -17 o   56.403   1.4074  429.570   21.291  429.570   21.291  429.570   21.291   56.403   1.4074   56.403   1.4074 0.000000 0.000000 
1 1 1   32    0  -16 o   29.774   2.8361  123.874   22.208  123.874   22.208  123.874   22.208   29.774   2.8361   29.774   2.8361 0.000000 0.000000 
1 1 1   32    0  -15 o   51.169   1.4229  353.634   19.521  353.634   19.521  353.634   19.521   51.169   1.4229   51.169   1.4229 0.000000 0.000000 
1 1 1   32    0  -14 o   23.605   2.0163   76.936   12.569   76.936   12.569   76.936   12.569   23.605   2.0163   23.605   2.0163 0.000000 0.000000 
1 1 1   32    0  -13 o   27.766   2.4172  106.796   17.713  106.796   17.713  106.796   17.713   27.766   2.4172   27.766   2.4172 0.000000 0.000000 
1 1 1   32    0  -12 o   4.1117   2.8479  -8.8247   10.827  -8.8247   10.827  -8.8247   10.827   4.1117   2.8479   4.1117   2.8479 0.000000 0.000000 
1 1 1   32    0  -11 o   11.922   2.1185   20.907   6.1451   20.907   6.1451   20.907   6.1451   11.922   2.1185   11.922   2.1185 0.000000 0.000000 
1 1 1   32    0  -10 o   51.040   1.2580  351.300   17.223  351.300   17.223  351.300   17.223   51.040   1.2580   51.040   1.2580 0.000000 0.000000 
1 1 1   32    0   -9 o   40.116   1.2005  217.147   12.909  217.147   12.909  217.147   12.909   40.116   1.2005   40.116   1.2005 0.000000 0.000000 
1 1 1   32    0   -8 o   18.277   1.7679   46.296   8.4922   46.296   8.4922   46.296   8.4922   18.277   1.7679   18.277   1.7679 0.000000 0.000000 
1 1 1   32    0   -7 o   37.226   1.2815  187.182   12.779  187.182   12.779  187.182   12.779   37.226   1.2815   37.226   1.2815 0.000000 0.000000 
1 1 1   32    0   -6 o   34.799   1.1866  163.507   11.061  163.507   11.061  163.507   11.061   34.799   1.1866   34.799   1.1866 0.000000 0.000000 
1 1 1   32    0   -5 o   18.186   1.7716   45.851   8.4653   45.851   8.4653   45.851   8.4653   18.186   1.7716   18.186   1.7716 0.000000 0.000000 
1 1 1   32    0   -4 o   36.851   1.1751  183.265   11.604  183.265   11.604  183.265   11.604   36.851   1.1751   36.851   1.1751 0.000000 0.000000 
1 1 1   32    0   -3 f   58.069   1.1172  454.108   17.411  454.108   17.411  454.108   17.411   58.069   1.1172   58.069   1.1172 0.000000 0.000000 
1 1 1   32    0   -2 o   44.893   1.4144  272.175   17.017  272.175   17.017  272.175   17.017   44.893   1.4144   44.893   1.4144 0.000000 0.000000 
1 1 1   32    0   -1 o   4.1900   2.8020  -3.0047   8.7085  -3.0047   8.7085  -3.0047   8.7085   4.1900   2.8020   4.1900   2.8020 0.000000 0.000000 
1 1 1   32    0    0 o   5.2235   3.2414   2.6033   9.0958   2.6033   9.0958   2.6033   9.0958   5.2235   3.2414   5.2235   3.2414 0.000000 0.000000 
1 1 1   32    0    1 o   4.0356   2.7226  -3.8361   8.5612  -3.8361   8.5612  -3.8361   8.5612   4.0356   2.7226   4.0356   2.7226 0.000000 0.000000 
1 1 1   32    0    2 o   22.445   1.8313   69.291   10.871   69.291   10.871   69.291   10.871   22.445   1.8313   22.445   1.8313 0.000000 0.000000 
1 1 1   32    0    3 f   26.939   1.5008   98.652   10.782   98.652   10.782   98.652   10.782   26.939   1.5008   26.939   1.5008 0.000000 0.000000 
1 1 1   32    0    4 o   5.4331   3.2422   4.3139   8.3555   4.3139   8.3555   4.3139   8.3555   5.4331   3.2422   5.4331   3.2422 0.000000 0.000000 
1 1 1   32    0    5 o   23.056   1.6198   72.690   9.9171   72.690   9.9171   72.690   9.9171   23.056   1.6198   23.056   1.6198 0.000000 0.000000 
1 1 1   32    0    6 o   8.8680   3.8504   15.334   9.4851   15.334   9.4851   15.334   9.4851   8.8680   3.8504   8.8680   3.8504 0.000000 0.000000 
1 1 1   32    0    7 o   3.8073   2.6100  -5.6509   8.5490  -5.6509   8.5490  -5.6509   8.5490   3.8073   2.6100   3.8073   2.6100 0.000000 0.000000 
1 1 1   32    0    8 o   7.0169   3.6801   9.7881   9.1523   9.7881   9.1523   9.7881   9.1523   7.0169   3.6801   7.0169   3.6801 0.000000 0.000000 
1 1 1   32    0    9 o   25.469   1.7319   88.687   11.722   88.687   11.722   88.687   11.722   25.469   1.7319   25.469   1.7319 0.000000 0.000000 
1 1 1   32    0   10 o   49.459   1.1553  329.686   15.329  329.686   15.329  329.686   15.329   49.459   1.1553   49.459   1.1553 0.000000 0.000000 
1 1 1   32    0   11 o   9.9164   3.6847   17.957   9.1220   17.957   9.1220   17.957   9.1220   9.9164   3.6847   9.9164   3.6847 0.000000 0.000000 
1 1 1   32    0   12 o   15.038   2.5384   33.099   9.3758   33.099   9.3758   33.099   9.3758   15.038   2.5384   15.038   2.5384 0.000000 0.000000 
1 1 1   32    0   13 o   11.469   3.5792   22.407   9.6678   22.407   9.6678   22.407   9.6678   11.469   3.5792   11.469   3.5792 0.000000 0.000000 
1 1 1   32    0   14 o   19.531   1.9491   53.045   9.9909   53.045   9.9909   53.045   9.9909   19.531   1.9491   19.531   1.9491 0.000000 0.000000 
1 1 1   32    0   15 o   31.293   1.3661  132.672   11.432  132.672   11.432  132.672   11.432   31.293   1.3661   31.293   1.3661 0.000000 0.000000 
1 1 1   32    0   16 o   19.842   1.9704   54.766   10.263   54.766   10.263   54.766   10.263   19.842   1.9704   19.842   1.9704 0.000000 0.000000 
1 1 1   32    0   17 o   3.8283   2.6453  -7.1117   9.1975  -7.1117   9.1975  -7.1117   9.1975   3.8283   2.6453   3.8283   2.6453 0.000000 0.000000 
1 1 1   32    0   18 o   3.7359   2.6052  -8.8305   9.4737  -8.8305   9.4737  -8.8305   9.4737   3.7359   2.6052   3.7359   2.6052 0.000000 0.000000 
1 1 1   32    0   19 o   41.762   1.4030  235.931   15.697  235.931   15.697  235.931   15.697   41.762   1.4030   41.762   1.4030 0.000000 0.000000 
1 1 1   32    0   20 f   19.235   2.0736   51.821   10.398   51.821   10.398   51.821   10.398   19.235   2.0736   19.235   2.0736 0.000000 0.000000 
1 1 1   32    0   21 f   14.177   3.0927   30.979   10.316   30.979   10.316   30.979   10.316   14.177   3.0927   14.177   3.0927 0.000000 0.000000 
1 1 1   32    0   22 o   52.307   1.2350  369.336   17.329  369.336   17.329  369.336   17.329   52.307   1.2350   52.307   1.2350 0.000000 0.000000 
1 1 1   32    0   23 o   48.767   1.3237  321.434   17.309  321.434   17.309  321.434   17.309   48.767   1.3237   48.767   1.3237 0.000000 0.000000 
1 1 1   32    0   24 o   19.253   3.0262   54.304   14.494   54.304   14.494   54.304   14.494   19.253   3.0262   19.253   3.0262 0.000000 0.000000 
1 1 1   32    0   25 o   13.647   3.4145   29.802   10.827   29.802   10.827   29.802   10.827   13.647   3.4145   13.647   3.4145 0.000000 0.000000 
1 1 1   32    0   26 o   36.424   1.5707  180.313   15.302  180.313   15.302  180.313   15.302   36.424   1.5707   36.424   1.5707 0.000000 0.000000 
1 1 1   32    0   27 o   4.6366   3.0843  -2.6390   10.310  -2.6390   10.310  -2.6390   10.310   4.6366   3.0843   4.6366   3.0843 0.000000 0.000000 
1 1 1   32    0   28 o   30.553   1.5998  127.260   13.046  127.260   13.046  127.260   13.046   30.553   1.5998   30.553   1.5998 0.000000 0.000000 
1 1 1   32    0   29 o   55.632   1.5094  419.219   22.517  419.219   22.517  419.219   22.517   55.632   1.5094   55.632   1.5094 0.000000 0.000000 
1 1 1   32    0   30 o   46.890   1.3894  297.719   17.463  297.719   17.463  297.719   17.463   46.890   1.3894   46.890   1.3894 0.000000 0.000000 
1 1 1   32    0   31 o   15.928   3.0629   38.414   11.704   38.414   11.704   38.414   11.704   15.928   3.0629   15.928   3.0629 0.000000 0.000000 
1 1 1   32    0   32 o   14.415   3.4361   33.063   11.545   33.063   11.545   33.063   11.545   14.415   3.4361   14.415   3.4361 0.000000 0.000000 
1 1 1   32    0   33 o   24.103   2.1647   81.189   13.754   81.189   13.754   81.189   13.754   24.103   2.1647   24.103   2.1647 0.000000 0.000000 
1 1 1   32    0   34 o   8.0966   4.2393   13.874   12.130   13.874   12.130   13.874   12.130   8.0966   4.2393   8.0966   4.2393 0.000000 0.000000 
1 1 1   32    0   35 o   30.710   1.5973  129.158   13.094  129.158   13.094  129.158   13.094   30.710   1.5973   30.710   1.5973 0.000000 0.000000 
1 1 1   32    0   36 o   29.262   1.8869  118.531   14.689  118.531   14.689  118.531   14.689   29.262   1.8869   29.262   1.8869 0.000000 0.000000 
1 1 1   32    0   37 o   5.2555   3.4489  -0.4509   12.216  -0.4509   12.216  -0.4509   12.216   5.2555   3.4489   5.2555   3.4489 0.000000 0.000000 
1 1 1   32    0   38 o   4.6117   3.2126 -10.9737   14.304 -10.9737   14.304 -10.9737   14.304   4.6117   3.2126   4.6117   3.2126 0.000000 0.000000 
1 1 1   32    0   39 o   35.897   2.7603  185.874   26.252  185.874   26.252  185.874   26.252   35.897   2.7603   35.897   2.7603 0.000000 0.000000 
1 1 1   32    0   40 o   5.5436   3.6030   1.5724   12.872   1.5724   12.872   1.5724   12.872   5.5436   3.6030   5.5436   3.6030 0.000000 0.000000 
1 1 1   32    0   41 o   4.4336   3.0919  -9.6907   13.351  -9.6907   13.351  -9.6907   13.351   4.4336   3.0919   4.4336   3.0919 0.000000 0.000000 
1 1 1   32    1  -33 o   20.946   2.4384   62.654   13.461   65.257   18.550   59.757   19.566   20.807   3.4393   19.631   3.8483 1.175871 5.161252 
1 1 1   32    1  -32 o   28.757   1.8590  114.542   14.282  113.060   20.496  115.941   19.912   28.071   2.7539   28.508   2.6301 -0.4368668 3.808057 
1 1 1   32    1  -31 o   29.949   1.7647  123.614   14.132  111.420   19.899  136.024   20.074   27.963   2.6824   31.077   2.4241 -3.113663 3.615440 
1 1 1   32    1  -30 o   11.217   2.8209   18.493   8.4907   19.555   11.958   17.413   12.057   11.495   3.5320   10.966   3.5696 0.5283918 5.021678 
1 1 1   32    1  -29 o   14.219   2.3272   28.772   8.5803   43.681   12.250   14.414   12.022   17.443   2.7021   10.269   3.5653 7.174215 4.473519 
1 1 1   32    1  -28 o   23.668   1.4976   76.602   9.4713   79.667   13.555   73.678   13.240   23.924   2.1318   22.985   2.1703 0.9382420 3.042123 
1 1 1   32    1  -27 f   18.377   1.8429   46.753   8.9736   50.866   12.832   42.817   12.553   18.913   2.5946   17.244   2.8069 1.668089 3.822345 
1 1 1   32    1  -26 o   32.946   1.2278  147.145   10.865  151.229   15.252  142.938   15.481   33.211   1.7156   32.255   1.7941 0.9566498 2.482366 
1 1 1   32    1  -25 f   37.402   1.3221  189.909   13.282  202.270   23.481  184.093   16.106   38.122   2.3040   36.721   1.6330 1.401012 2.824043 
1 1 1   32    1  -24 o   14.683   2.7960   31.214   10.624   32.191   13.496   29.623   17.227   14.679   3.4766   13.949   4.2301 0.7299166 5.475434 
1 1 1   32    1  -23 o   15.172   2.0970   32.282   8.3171   23.792   11.655   41.091   11.872   12.655   3.3692   16.940   2.6998 -4.285107 4.317478 
1 1 1   32    1  -22 f   23.236   1.4771   73.731   9.1703   68.362   12.759   79.467   13.189   22.156   2.1720   23.939   2.0716 -1.783230 3.001551 
1 1 1   32    1  -21 o   33.399   1.2985  151.278   11.648  145.760   14.978  159.724   18.530   32.624   1.7153   34.022   2.0371 -1.398056 2.663123 
1 1 1   32    1  -20 o   23.709   2.0231   77.756   12.760   80.017   18.494   75.703   17.628   23.667   2.9750   23.040   2.9137 0.6270905 4.164167 
1 1 1   32    1  -19 o   23.519   1.6923   75.821   10.618   81.195   14.218   69.044   15.967   24.172   2.2146   22.071   2.7533 2.101299 3.533467 
1 1 1   32    1  -18 o   12.749   2.4957   23.259   8.2399   25.222   11.771   21.374   11.538   13.078   3.3393   12.067   3.4093 1.010888 4.772294 
1 1 1   32    1  -17 o   10.906   2.8029   17.231   8.2552   31.555   12.105   4.7795   11.287   14.704   3.1593   8.1687   3.3087 6.535099 4.574825 
1 1 1   32    1  -16 o   40.603   1.1568  222.867   12.616  242.673   20.080  209.951   16.215   42.183   1.7723   39.311   1.5358 2.872082 2.345110 
1 1 1   32    1  -15 o   31.836   1.4211  137.428   12.152  136.119   17.425  138.667   16.956   31.451   2.0744   31.773   1.9971 -0.3220882 2.879450 
1 1 1   32    1  -14 o   17.483   1.8192   42.107   8.4176   47.155   11.760   36.804   12.054   18.337   2.4490   16.022   2.9081 2.315239 3.801944 
1 1 1   32    1  -13 o   26.765   1.2816   96.918   9.2134   90.574   12.983  103.352   13.077   25.696   1.8945   27.490   1.7806 -1.794111 2.599921 
1 1 1   32    1  -12 o   16.542   2.1346   38.065   9.2631   31.370   12.180   47.251   14.267   14.701   3.1772   18.180   3.0283 -3.478311 4.389226 
1 1 1   32    1  -11 o   24.726   0.8184   82.344   5.4355   85.598   7.7433   79.184   7.6319   25.175   1.1451   24.210   1.1737 0.9650497 1.639758 
1 1 1   32    1  -10 o   25.866   0.8858   90.148   6.1538   94.581   8.8290   85.960   8.5818   26.452   1.2427   25.182   1.2729 1.269781 1.778937 
1 1 1   32    1   -9 o   29.793   0.8930  119.598   7.1460  115.794   10.529  122.845   9.7298   29.255   1.3400   30.154   1.2013 -0.8995590 1.799675 
1 1 1   32    1   -8 o   12.798   1.7893   22.699   5.9826   23.924   8.7628   21.629   8.1879   12.951   2.6093   12.311   2.5596 0.6394396 3.655150 
1 1 1   32    1   -7 o   36.777   1.0104  182.389   9.9810  178.742   12.616  188.492   16.318   36.360   1.2918   37.264   1.6304 -0.9044952 2.080138 
1 1 1   32    1   -6 o   25.375   1.0306   86.839   7.0242   92.749   9.4976   79.704   10.436   26.149   1.3569   24.183   1.6159 1.965958 2.110099 
1 1 1   32    1   -5 o   22.160   1.1198   66.445   6.6437   69.216   8.9823   63.098   9.8720   22.555   1.4911   21.483   1.7254 1.072371 2.280465 
1 1 1   32    1   -4 o   31.862   0.8903  136.761   7.6188  132.772   10.665  140.918   10.888   31.344   1.2668   32.293   1.2553 -0.9490910 1.783398 
1 1 1   32    1   -3 o   72.143   0.8193  700.799   15.876  708.227   22.564  693.516   22.343   72.430   1.1598   71.673   1.1606 0.7564011 1.640820 
1 1 1   32    1   -2 o   19.075   1.2549   49.374   6.3935   58.021   9.0033   40.578   9.0806   20.615   1.6396   17.136   2.0111 3.478418 2.594778 
1 1 1   32    1   -1 o   15.230   1.5943   31.788   6.4248   31.898   8.7468   31.660   9.4681   15.116   2.2205   15.004   2.4327 0.1122856 3.293750 
1 1 1   32    1    0 o   27.657   1.0195  103.136   7.5731  103.922   10.350  102.230   11.111   27.679   1.3967   27.428   1.5140 0.2507896 2.059875 
1 1 1   32    1    1 o   22.522   1.1910   68.687   7.1792   68.341   9.8813   69.073   10.448   22.380   1.6556   22.481   1.7440 -0.1010036 2.404657 
1 1 1   32    1    2 o   27.862   1.0847  104.730   8.1170   96.807   10.286  117.809   13.216   26.703   1.4394   29.411   1.6800 -2.707273 2.212283 
1 1 1   32    1    3 o   20.029   1.3122   54.464   7.0200   52.900   9.9497   56.014   9.9059   19.618   1.9126   20.208   1.8454 -0.5897522 2.657723 
1 1 1   32    1    4 o   35.078   0.9460  165.824   8.9127  166.251   12.687  165.408   12.523   35.060   1.3473   34.973   1.3332 0.8647156E-01 1.895422 
1 1 1   32    1    5 o   15.629   1.6479   33.511   6.8133   27.295   9.4813   40.148   9.7975   13.851   2.6450   16.996   2.1978 -3.144473 3.438922 
1 1 1   32    1    6 o   12.499   2.0270   21.844   6.5721   37.416   9.5525   7.8492   9.0559   16.389   2.2279   8.3235   3.0702 8.065227 3.793324 
1 1 1   32    1    7 o   39.837   0.9764  213.947   10.448  220.623   17.571  210.296   12.994   40.318   1.6226   39.452   1.2263 0.8657379 2.033856 
1 1 1   32    1    8 o   73.104   1.1679  721.703   22.931  757.179   39.388  703.512   28.204   74.499   1.9684   72.065   1.4571 2.433876 2.449071 
1 1 1   32    1    9 o   31.278   1.0063  131.939   8.4539  129.708   12.241  133.974   11.689   30.939   1.4731   31.460   1.3833 -0.5213280 2.020797 
1 1 1   32    1   10 o   15.432   1.6755   32.727   6.8334   26.574   9.8103   38.526   9.5237   13.618   2.7763   16.637   2.1841 -3.019311 3.532429 
1 1 1   32    1   11 o   5.5491   2.3907  -0.3913   6.4641  -0.8795   9.2750   0.0698   9.0140   6.5564   2.8441   6.6302   2.8391 -0.7371712E-01 4.018567 
1 1 1   32    1   12 o   25.288   1.2201   86.446   8.2871   81.168   12.246   90.905   11.256   24.324   1.8893   25.817   1.6317 -1.492531 2.496313 
1 1 1   32    1   13 o   28.092   1.0819  106.539   8.1631   99.405   11.777  113.137   11.325   26.997   1.6318   28.849   1.4664 -1.851885 2.193871 
1 1 1   32    1   14 o   32.084   0.9993  138.880   8.6115  147.529   12.769  131.666   11.663   32.986   1.4413   31.172   1.3930 1.813961 2.004420 
1 1 1   32    1   15 o   7.4008   2.6734   6.4782   6.8150   17.375   10.065  -2.7460   9.2607   10.983   3.2100   6.2352   2.7683 4.747593 4.238812 
1 1 1   32    1   16 o   18.525   1.5140   46.908   7.4672   43.343   10.963   49.993   10.199   17.574   2.3841   19.000   2.0299 -1.426540 3.131182 
1 1 1   32    1   17 o   31.348   1.0435  132.706   8.7861  129.020   12.869  135.926   12.025   30.765   1.5624   31.652   1.4144 -0.8869400 2.107574 
1 1 1   32    1   18 o   5.0310   2.2964  -4.2135   6.8966  -7.5864   10.033  -1.1919   9.4960   5.8453   2.7049   6.5547   2.8601 -0.7093258 3.936597 
1 1 1   32    1   19 o   36.442   1.0808  179.492   10.579  180.217   15.038  178.783   14.884   36.397   1.5383   36.255   1.5285 0.1422043 2.168578 
1 1 1   32    1   20 o   24.170   1.2476   79.349   8.0715   76.984   11.605   81.566   11.234   23.649   1.8415   24.382   1.7266 -0.7326488 2.524342 
1 1 1   32    1   21 o   32.283   1.0694  140.896   9.2727  145.198   13.435  136.984   12.814   32.659   1.5316   31.730   1.5035 0.9294930 2.146283 
1 1 1   32    1   22 f   44.961   1.0270  273.183   12.402  280.987   19.045  267.437   16.342   45.413   1.5614   44.378   1.3710 1.035782 2.077896 
1 1 1   32    1   23 o   46.710   0.9648  294.663   12.104  304.407   16.893  284.382   17.352   47.357   1.3281   45.742   1.4124 1.615791 1.938701 
1 1 1   32    1   24 o   8.2719   2.8907   8.8243   7.9092   3.5412   10.951   14.585   11.435   7.8049   3.2216   10.274   3.4800 -2.469148 4.742293 
1 1 1   32    1   25 f   17.773   1.7832   43.665   8.3974   61.536   11.609   24.051   12.162   21.030   2.0827   12.697   3.4681 8.332060 4.045378 
1 1 1   32    1   26 o   35.050   1.1552  166.359   10.875  165.905   13.893  167.078   17.475   34.909   1.4817   34.844   1.8741 0.6474304E-01 2.389077 
1 1 1   32    1   27 f   34.415   1.0626  160.189   9.8220  158.145   13.208  162.718   14.691   34.094   1.4424   34.537   1.5836 -0.4435654 2.142048 
1 1 1   32    1   28 o   32.133   1.3338  140.245   11.512  144.491   14.979  134.121   17.992   32.450   1.7249   31.068   2.1698 1.382044 2.771810 
1 1 1   32    1   29 o   28.389   1.2757  109.402   9.7277  116.863   12.639   98.561   15.235   29.204   1.6177   26.607   2.1503 2.596968 2.690797 
1 1 1   32    1   30 o   7.7248   2.9130   6.6265   8.2420   7.5653   11.053   5.4508   12.369   8.5799   3.3378   8.4741   3.4522 0.1058559 4.801933 
1 1 1   32    1   31 o   14.482   2.1996   29.752   8.2870   34.006   11.445   25.064   12.015   15.233   2.9033   12.884   3.4164 2.348872 4.483394 
1 1 1   32    1   32 o   15.737   1.9189   34.689   7.9430   34.937   11.322   34.449   11.146   15.442   2.8343   15.342   2.8083 0.9979820E-01 3.989959 
1 1 1   32    1   33 o   11.135   2.7243   18.374   8.0807   23.381   11.428   13.368   11.428   12.382   3.3535   9.8343   3.4718 2.547881 4.826944 
1 1 1   32    1   34 o   17.715   1.9378   44.126   9.0697   44.176   12.637   44.073   13.025   17.316   2.8136   17.240   2.9169 0.7539368E-01 4.052754 
1 1 1   32    1   35 o   13.030   2.6518   25.239   8.9652   27.252   12.729   23.258   12.629   13.152   3.5296   12.154   3.6076 0.9981279 5.047078 
1 1 1   32    1   36 o   18.248   1.9668   47.230   9.4874   43.952   13.541   50.391   13.297   16.973   3.0838   18.398   2.7774 -1.424717 4.150176 
1 1 1   32    1   37 o   28.265   1.3490  109.859   10.241   92.916   14.452  126.949   14.515   25.480   2.1313   30.060   1.8061 -4.579937 2.793614 
1 1 1   32    1   38 o   5.4741   2.5524  -6.5660   9.1971 -15.3879   13.005   2.2592   13.008   5.8382   2.8102   7.7470   3.3643 -1.908855 4.383603 
1 1 1   32    1   39 o   26.063   1.5774   95.172   10.990   84.272   15.333  106.688   15.760   23.859   2.4266   27.098   2.1838 -3.239834 3.264536 
1 1 1   32    1   40 o   15.629   2.5518   37.192   10.342   23.828   15.449   48.043   13.922   11.582   4.0405   17.347   3.1019 -5.764622 5.093831 
1 1 1   32    2  -32 o   21.510   2.3039   65.790   13.103   71.008   17.931   59.810   19.196   21.860   3.1444   19.627   3.7785 2.233147 4.915721 
1 1 1   32    2  -31 o   9.0763   3.4673   9.6320   11.773   7.4399   16.026   12.201   17.351   9.4792   3.9032   10.440   4.1452 -0.9612780 5.693705 
1 1 1   32    2  -30 o   9.6518   3.4800   12.297   11.540   21.373   16.196   2.9375   16.447   12.030   4.1404   8.9661   3.8370 3.063587 5.644937 
1 1 1   32    2  -29 o   17.434   1.9990   42.508   9.1915   51.021   13.377   34.893   12.651   18.825   2.7249   15.323   3.1781 3.501196 4.186310 
1 1 1   32    2  -28 o   22.599   1.5738   70.085   9.4928   81.468   13.433   58.729   13.417   24.184   2.0885   20.338   2.5093 3.845493 3.264716 
1 1 1   32    2  -27 o   32.709   1.2412  145.166   10.904  152.799   15.519  137.721   15.326   33.352   1.7384   31.628   1.8116 1.723240 2.510760 
1 1 1   32    2  -26 o   13.714   2.4406   26.934   8.6606   25.053   12.555   28.642   11.963   12.919   3.5216   13.874   3.2646 -0.9551678 4.801981 
1 1 1   32    2  -25 o   6.0583   2.6697  -1.7400   8.4576  -3.8965   12.151   0.2867   11.780   7.0000   3.1350   7.4820   3.2253 -0.4819756 4.497918 
1 1 1   32    2  -24 o   5.3589   2.4897  -6.9614   8.6272   11.409   13.453 -19.7943   11.244   9.8415   3.7191   5.1052   2.4932 4.736265 4.477438 
1 1 1   32    2  -23 o   22.969   2.2729   73.824   13.838   61.044   18.986   88.306   20.211   20.251   3.6235   24.732   3.1114 -4.480453 4.776042 
1 1 1   32    2  -22 o   31.925   1.5023  138.832   12.882  131.613   14.859  160.668   25.844   30.942   1.7957   33.607   2.8913 -2.664883 3.403500 
1 1 1   32    2  -21 o   17.611   1.9376   43.099   9.0136   44.484   12.448   41.573   13.068   17.622   2.7174   16.919   2.9848 0.7027664 4.036497 
1 1 1   32    2  -20 o   9.2602   2.9611   12.017   8.3223   2.9569   11.482   22.044   12.080   7.8480   3.2739   12.187   3.5036 -4.339284 4.795119 
1 1 1   32    2  -19 o   40.601   1.3728  223.884   14.970  214.824   19.907  235.677   22.712   39.581   1.8725   41.376   2.0437 -1.795048 2.771848 
1 1 1   32    2  -18 o   12.301   3.0682   22.240   10.104   12.520   16.609   27.950   12.730   10.604   4.1010   13.698   3.4593 -3.093493 5.365123 
1 1 1   32    2  -17 o   14.355   2.3892   29.258   8.8880   35.719   12.935   23.480   12.233   15.613   3.1923   12.585   3.4947 3.027493 4.733279 
1 1 1   32    2  -16 o   24.031   1.4076   78.668   9.0459   70.520   12.809   86.775   12.777   22.536   2.1418   25.098   1.9097 -2.561966 2.869529 
1 1 1   32    2  -15 o   39.849   1.0571  214.542   11.315  204.265   15.836  225.262   16.172   38.759   1.5211   40.716   1.4788 -1.957115 2.121472 
1 1 1   32    2  -14 o   15.978   2.4098   36.030   10.020   29.660   14.300   42.176   14.045   14.104   3.7209   17.038   3.1862 -2.934393 4.898685 
1 1 1   32    2  -13 o   32.799   1.1736  145.480   10.338  150.937   14.774  140.244   14.473   33.295   1.6520   32.043   1.6876 1.252903 2.361569 
1 1 1   32    2  -12 o   31.501   1.1970  134.203   10.127  149.960   14.540  119.358   14.113   33.199   1.6307   29.529   1.7879 3.670425 2.419856 
1 1 1   32    2  -11 o   26.631   1.0324   95.737   7.3848   89.523   8.3153  118.931   16.066   25.729   1.2033   29.396   2.0476 -3.667221 2.374946 
1 1 1   32    2  -10 o   14.871   1.4344   30.258   5.6585   16.701   9.4291   37.889   7.0739   10.772   3.0951   16.622   1.6044 -5.850194 3.486210 
1 1 1   32    2   -9 o   40.937   0.7687  225.675   8.4520  213.912   11.856  237.830   12.052   39.797   1.1092   41.972   1.0691 -2.174343 1.540518 
1 1 1   32    2   -8 o   32.880   0.8803  145.701   7.7746  140.102   11.440  150.506   10.598   32.171   1.3240   33.371   1.1824 -1.199825 1.775086 
1 1 1   32    2   -7 o   57.394   0.8926  443.959   13.761  436.656   20.506  449.941   18.560   56.792   1.3443   57.697   1.1976 -0.9053726 1.800451 
1 1 1   32    2   -6 o   45.602   0.8225  280.110   10.074  285.797   15.221  275.678   13.439   45.977   1.2326   45.185   1.1073 0.7921143 1.656942 
1 1 1   32    2   -5 o   55.274   0.8573  411.620   12.727  409.782   18.368  413.316   17.652   55.053   1.2422   55.306   1.1883 -0.2526550 1.719040 
1 1 1   32    2   -4 o   78.643   0.8833  833.402   18.659  846.210   25.517  818.685   27.353   79.132   1.2006   77.788   1.3092 1.343452 1.776346 
1 1 1   32    2   -3 o   35.631   1.1104  171.410   10.626  168.068   13.221  177.510   17.861   35.228   1.3973   36.045   1.8511 -0.8170815 2.319281 
1 1 1   32    2   -2 o   20.982   1.2774   59.752   7.1644   65.791   9.5161   51.850   10.886   21.951   1.6256   19.351   2.1296 2.599518 2.679114 
1 1 1   32    2   -1 o   26.903   1.0500   97.661   7.5874   96.752   10.056   98.862   11.561   26.691   1.4077   26.937   1.6052 -0.2457714 2.135013 
1 1 1   32    2    0 o   41.288   0.8831  229.703   9.7937  249.584   13.270  205.919   14.514   42.988   1.1493   38.997   1.3857 3.990913 1.800273 
1 1 1   32    2    1 o   56.990   0.9096  437.723   13.924  446.389   18.740  427.043   20.804   57.472   1.2140   56.161   1.3791 1.310513 1.837334 
1 1 1   32    2    2 o   27.516   1.0519  102.164   7.7740   96.239   10.432  109.566   11.659   26.608   1.4653   28.379   1.5352 -1.771559 2.122282 
1 1 1   32    2    3 o   34.620   0.9309  161.565   8.6563  150.668   11.632  175.092   12.959   33.374   1.2976   35.968   1.3414 -2.594505 1.866350 
1 1 1   32    2    4 o   36.817   0.9002  182.676   8.9014  190.252   12.164  173.942   13.061   37.520   1.2071   35.846   1.3565 1.673988 1.815819 
1 1 1   32    2    5 o   20.186   1.3186   55.366   7.1098   51.656   9.8203   59.453   10.307   19.368   1.9128   20.803   1.8644 -1.435032 2.671086 
1 1 1   32    2    6 o   44.126   0.8606  262.343   10.200  257.227   13.881  268.348   15.038   43.630   1.1845   44.545   1.2569 -0.9158363 1.727105 
1 1 1   32    2    7 o   65.935   0.9630  586.272   17.055  607.473   23.133  561.023   25.244   67.008   1.2853   64.326   1.4611 2.681931 1.945981 
1 1 1   32    2    8 o   25.502   1.1390   87.856   7.8018   69.326   10.509  110.607   11.645   22.498   1.7529   28.508   1.5263 -6.009903 2.324311 
1 1 1   32    2    9 o   20.857   1.2819   59.079   7.1465   67.250   9.9862   50.502   10.232   22.170   1.6898   19.111   2.0241 3.058920 2.636718 
1 1 1   32    2   10 o   35.485   1.0382  169.965   9.8951  176.747   14.042  163.277   13.946   36.100   1.4483   34.686   1.4969 1.414417 2.082835 
1 1 1   32    2   11 o   33.929   0.9965  155.338   9.0814  157.032   12.892  153.669   12.795   34.032   1.4104   33.665   1.4150 0.3674431 1.997850 
1 1 1   32    2   12 o   18.890   1.5078   48.754   7.5865   41.439   10.565   56.541   10.900   17.188   2.3502   20.218   2.0350 -3.029783 3.108778 
1 1 1   32    2   13 o   9.2781   2.5781   12.313   6.6554   9.2684   9.2139   15.634   9.6238   8.6738   3.1115   10.456   3.1596 -1.782597 4.434476 
1 1 1   32    2   14 o   7.1963   2.6442   5.9100   6.7081  -1.7549   9.3458   14.055   9.6340   6.4121   2.8166   10.007   3.1844 -3.594786 4.251348 
1 1 1   32    2   15 o   16.534   1.6310   37.583   7.1487   25.658   9.9293   50.416   10.301   13.298   2.8645   19.061   2.0439 -5.762438 3.518973 
1 1 1   32    2   16 o   23.857   1.2057   77.242   7.7004   73.910   10.815   80.668   10.967   23.201   1.7483   24.260   1.6937 -1.058769 2.434175 
1 1 1   32    2   17 o   13.845   1.9609   26.792   7.0883   25.167   9.9704   28.453   10.079   13.142   2.9022   14.031   2.7728 -0.8897562 4.013852 
1 1 1   32    2   18 o   24.679   1.3653   82.928   9.0147   79.548   12.676   86.387   12.823   23.986   1.9855   25.024   1.9225 -1.038029 2.763695 
1 1 1   32    2   19 o   29.858   1.0727  120.549   8.6022  124.760   12.143  116.306   12.188   30.277   1.4932   29.176   1.5609 1.101423 2.160112 
1 1 1   32    2   20 o   30.975   1.1400  129.881   9.4845  115.924   13.534  143.351   13.295   29.062   1.7419   32.441   1.5259 -3.378828 2.315695 
1 1 1   32    2   21 o   46.031   0.9077  286.016   11.223  294.427   15.735  277.306   16.012   46.594   1.2573   45.196   1.3190 1.397202 1.822266 
1 1 1   32    2   22 o   25.715   1.3970   90.157   9.6125   91.701   12.052   87.459   15.935   25.827   1.7477   24.964   2.4063 0.8630219 2.974053 
1 1 1   32    2   23 o   10.301   2.8729   15.462   8.2483   16.194   10.407   14.224   13.527   10.587   3.3018   10.428   3.7666 0.1587915 5.008900 
1 1 1   32    2   24 o   5.0729   2.3796  -7.8464   8.1971  -2.5812   10.207 -17.4120   13.757   6.5517   2.9076   6.1190   2.9309 0.4327488 4.128516 
1 1 1   32    2   25 o   20.689   1.6692   58.876   9.1969   62.845   11.567   52.054   15.164   21.255   2.0517   18.912   3.0921 2.342958 3.710882 
1 1 1   32    2   26 o   23.148   1.4215   73.172   8.7950   78.538   11.874   66.650   13.091   23.844   1.8691   21.808   2.2680 2.035786 2.938983 
1 1 1   32    2   27 o   15.585   2.5536   34.807   10.319   19.572   14.423   50.784   14.770   11.639   3.9085   18.675   3.0500 -7.035711 4.957734 
1 1 1   32    2   28 o   5.6667   2.5467  -3.2154   8.0929   8.6238   10.782 -18.4925   12.248   8.7476   3.3238   5.5350   2.6797 3.212541 4.269474 
1 1 1   32    2   29 o   39.410   1.0489  210.258   11.103  209.665   14.772  211.027   16.834   39.231   1.4019   39.276   1.5958 -0.4501343E-01 2.124091 
1 1 1   32    2   30 o   6.3617   2.7574  -0.3166   8.7043   5.6640   11.426  -8.5864   13.436   8.2496   3.3334   6.7948   3.1393 1.454846 4.578976 
1 1 1   32    2   31 o   21.553   1.5138   63.878   8.7076   62.508   11.814   65.509   12.884   21.088   2.1143   21.525   2.2624 -0.4367580 3.096569 
1 1 1   32    2   32 o   6.9006   2.7573   4.0839   7.7226   8.0651   10.490  -0.6260   11.410   8.4647   3.2632   7.1326   3.1231 1.332139 4.516930 
1 1 1   32    2   33 o   23.797   1.3619   77.728   8.6686   70.728   12.172   84.933   12.349   22.395   2.0461   24.644   1.8798 -2.249344 2.778506 
1 1 1   32    2   34 o   11.873   2.7232   21.208   8.4990   21.054   12.928   21.325   11.279   11.567   3.6897   11.678   3.3937 -0.1105633 5.013111 
1 1 1   32    2   35 o   14.687   2.6936   32.316   10.235   45.454   16.215   23.617   13.195   16.792   3.6955   12.085   3.7095 4.706755 5.236178 
1 1 1   32    2   36 o   13.492   2.6107   27.413   9.1190   25.923   12.930   28.888   12.863   12.568   3.6282   13.317   3.5367 -0.7490768 5.066693 
1 1 1   32    2   37 o   23.203   1.7251   75.914   10.674   69.550   15.233   82.055   14.963   21.491   2.6984   23.628   2.3906 -2.136215 3.605021 
1 1 1   32    2   38 o   7.8903   3.1049   7.5400   9.6542  -6.9998   13.581   22.394   13.727   6.6868   3.1123   11.441   3.8128 -4.754353 4.921814 
1 1 1   32    2   39 o   9.8259   3.3188   15.713   10.400   10.012   16.856   19.217   13.214   9.2516   3.9193   10.625   3.7351 -1.372958 5.414041 
1 1 1   32    3  -31 o   33.911   1.6793  158.734   15.295  181.545   21.542  135.542   21.721   35.822   2.2504   30.619   2.6678 5.202606 3.490141 
1 1 1   32    3  -30 o   19.598   2.5571   55.354   13.140   54.634   18.081   56.160   19.128   18.803   3.7119   18.954   3.8877 -0.1507225 5.375198 
1 1 1   32    3  -29 o   19.615   2.6592   55.503   13.648   59.048   19.188   51.873   19.416   19.598   3.7823   18.155   4.0811 1.443169 5.564290 
1 1 1   32    3  -28 o   22.584   1.8822   70.830   11.313   66.042   18.854   73.524   14.143   21.016   3.4605   22.812   2.3414 -1.796015 4.178234 
1 1 1   32    3  -27 o   22.837   1.5437   71.577   9.4130   59.760   13.235   83.675   13.391   20.519   2.4498   24.505   2.0535 -3.985313 3.196610 
1 1 1   32    3  -26 o   19.721   1.7563   53.761   9.2054   44.994   13.139   62.213   12.901   17.607   2.8779   21.012   2.3249 -3.405287 3.699636 
1 1 1   32    3  -25 o   39.001   1.1631  206.173   12.184  196.285   17.475  215.526   16.996   37.849   1.7190   39.716   1.5932 -1.867344 2.343778 
1 1 1   32    3  -24 o   28.455   1.3499  110.071   10.317  114.988   14.795  105.417   14.393   28.847   1.9205   27.601   1.9541 1.245426 2.739884 
1 1 1   32    3  -23 o   16.600   2.0740   38.600   9.0453   56.596   12.971   21.564   12.620   19.995   2.4676   12.032   3.6142 7.963151 4.376266 
1 1 1   32    3  -22 o   30.407   1.5175  126.067   12.394  150.253   21.947  114.744   15.017   32.681   2.5198   28.806   1.9525 3.874769 3.187678 
1 1 1   32    3  -21 o   18.053   2.2714   45.885   10.770   44.833   12.388   49.140   21.792   17.681   2.6937   17.630   4.5658 0.5088997E-01 5.301178 
1 1 1   32    3  -20 o   11.552   2.9381   19.630   9.1374   22.487   11.730   15.221   14.573   12.278   3.4265   10.756   3.9057 1.521614 5.195693 
1 1 1   32    3  -19 o   13.285   2.4628   25.326   8.4643   34.220   11.684   15.501   12.279   15.318   2.9468   10.561   3.6061 4.757070 4.656967 
1 1 1   32    3  -18 o   15.607   2.4730   34.710   10.021   27.932   12.182   48.898   17.624   13.688   3.3423   18.013   3.7641 -4.324685 5.033841 
1 1 1   32    3  -17 o   10.799   2.9460   17.061   8.7821   11.748   12.065   23.048   12.808   9.6964   3.5487   12.432   3.6175 -2.735553 5.067481 
1 1 1   32    3  -16 o   43.317   1.1593  254.068   13.488  257.697   20.929  251.490   17.640   43.378   1.7964   42.968   1.5285 0.4104538 2.358661 
1 1 1   32    3  -15 o   23.753   1.6249   77.314   10.304   82.802   17.562   74.433   12.725   24.151   2.7567   23.162   2.0672 0.9889164 3.445706 
1 1 1   32    3  -14 o   10.192   2.8696   15.051   8.1888   15.005   11.391   15.101   11.780   10.388   3.4736   10.452   3.5322 -0.6393623E-01 4.953974 
1 1 1   32    3  -13 o   43.730   1.2216  259.010   14.348  251.604   20.308  266.393   20.275   42.904   1.7623   44.170   1.7090 -1.265900 2.454912 
1 1 1   32    3  -12 o   9.5422   2.8839   12.961   8.0169   18.831   11.730   7.8164   10.982   11.392   3.4978   8.6797   3.3409 2.712040 4.836917 
1 1 1   32    3  -11 o   35.095   0.8909  166.125   8.3977  166.792   10.208  164.730   14.771   35.129   1.0819   34.786   1.5809 0.3430786 1.915624 
1 1 1   32    3  -10 o   46.079   0.8643  286.286   10.697  295.962   16.213  278.827   14.235   46.737   1.2915   45.401   1.1673 1.336369 1.740895 
1 1 1   32    3   -9 o   20.617   1.0936   57.600   6.0340   51.284   8.6610   63.556   8.4112   19.329   1.6852   21.587   1.4593 -2.258261 2.229191 
1 1 1   32    3   -8 o   27.952   0.9656  105.428   7.2493  108.124   11.031  103.379   9.6182   28.184   1.4622   27.626   1.2962 0.5575390 1.954021 
1 1 1   32    3   -7 o   41.938   0.8255  237.015   9.2987  242.159   13.967  232.919   12.462   42.303   1.2292   41.515   1.1176 0.7876434 1.661353 
1 1 1   32    3   -6 o   17.737   1.3718   42.891   6.4842   33.072   9.7181   50.770   8.7052   15.292   2.4487   19.233   1.7028 -3.940728 2.982514 
1 1 1   32    3   -5 o   54.199   0.8206  395.806   11.945  372.005   17.655  415.900   16.222   52.428   1.2538   55.488   1.0885 -3.059563 1.660331 
1 1 1   32    3   -4 o   8.1675   2.5738   9.1808   6.3053   5.5837   9.3218   12.214   8.5607   7.8216   3.0590   9.3920   3.0032 -1.570359 4.286839 
1 1 1   32    3   -3 o   18.010   1.4903   44.320   7.1444   56.963   9.6351   28.878   10.648   20.365   1.7793   14.143   2.9004 6.222099 3.402735 
1 1 1   32    3   -2 o   31.394   0.9361  132.920   7.8936  134.887   11.146  130.940   11.181   31.561   1.3149   31.091   1.3389 0.4699554 1.876554 
1 1 1   32    3   -1 o   23.698   1.1214   75.876   7.1377   78.131   10.009   73.542   10.181   23.930   1.5659   23.195   1.6449 0.7354183 2.271112 
1 1 1   32    3    0 o   12.594   2.1242   22.318   6.9298   28.711   9.7276   15.731   9.8746   14.174   2.6526   10.511   3.2060 3.663179 4.161068 
1 1 1   32    3    1 o   21.529   1.3096   62.987   7.5367   76.011   9.9271   45.265   11.580   23.599   1.5752   17.945   2.4678 5.654085 2.927640 
1 1 1   32    3    2 o   21.002   1.3007   59.942   7.3010   50.594   9.8380   71.401   10.893   19.144   1.9401   22.815   1.7920 -3.670853 2.641081 
1 1 1   32    3    3 o   6.2646   2.5606   2.1955   6.8342   5.1737   8.9632  -1.9405   10.563   7.6329   2.9955   6.8158   2.9941 0.8170214 4.235314 
1 1 1   32    3    4 o   10.504   2.5435   15.873   7.0995   26.894   9.2702   0.2405   11.041   13.716   2.6117   7.3122   3.1369 6.403887 4.081795 
1 1 1   32    3    5 o   22.441   1.3344   68.459   8.0066   67.104   10.082   70.773   13.175   22.131   1.7093   22.589   2.1994 -0.4579277 2.785528 
1 1 1   32    3    6 o   22.357   1.3309   67.949   7.9556   65.513   10.070   71.995   12.976   21.859   1.7293   22.800   2.1442 -0.9409542 2.754627 
1 1 1   32    3    7 o   16.068   2.1825   36.105   9.1756   40.567   11.106   26.510   16.286   16.945   2.5166   13.393   4.1229 3.552438 4.830290 
1 1 1   32    3    8 o   20.475   1.4644   57.203   8.0001   71.304   10.199   34.647   12.898   22.820   1.6757   15.401   3.2216 7.418200 3.631371 
1 1 1   32    3    9 o   27.484   1.1896  102.192   8.7813  115.396   11.232   81.434   14.083   29.157   1.4343   24.232   2.1874 4.924665 2.615671 
1 1 1   32    3   10 o   16.296   1.7659   36.660   7.6059   35.122   9.6151   39.230   12.432   15.788   2.3382   16.510   2.9100 -0.7219181 3.732938 
1 1 1   32    3   11 o   20.720   1.5322   58.700   8.4666   62.526   10.833   52.696   13.571   21.284   1.9155   19.266   2.6965 2.018105 3.307647 
1 1 1   32    3   12 o   19.231   1.7874   50.964   9.1270   56.214   11.570   42.315   14.850   20.086   2.1796   16.963   3.3782 3.123077 4.020353 
1 1 1   32    3   13 o   34.714   1.0852  162.928   10.118  151.899   13.063  179.469   15.998   33.429   1.4548   36.277   1.6418 -2.847870 2.193652 
1 1 1   32    3   14 o   10.322   2.7286   15.465   7.6796   15.089   9.8054   16.060   12.351   10.275   3.2051   10.738   3.6168 -0.4623270 4.832604 
1 1 1   32    3   15 o   13.264   2.2527   24.955   7.7381   27.607   10.068   21.127   12.096   13.790   2.8135   11.961   3.5255 1.828219 4.510566 
1 1 1   32    3   16 o   26.599   1.2299   95.899   8.7872   87.223   11.518  107.983   13.593   25.205   1.7115   28.019   1.8159 -2.814400 2.495344 
1 1 1   32    3   17 o   42.003   1.0446  238.553   11.785  248.344   16.587  228.573   16.747   42.724   1.4454   40.959   1.5222 1.764763 2.099164 
1 1 1   32    3   18 o   28.772   1.1209  112.062   8.6625  129.247   12.152   94.309   12.351   30.812   1.4684   26.185   1.7665 4.626719 2.297121 
1 1 1   32    3   19 o   27.378   1.1610  101.540   8.5375  115.902   12.031   86.972   12.117   29.115   1.5440   25.124   1.8077 3.991388 2.377328 
1 1 1   32    3   20 o   6.0151   2.6023  -0.4100   7.7233  -7.0838   9.9778   9.5656   12.199   5.8585   2.7062   9.2436   3.5299 -3.385113 4.447904 
1 1 1   32    3   21 o   11.192   2.7599   18.329   8.2444   16.203   10.801   21.296   12.761   10.602   3.3717   11.973   3.6429 -1.370812 4.963753 
1 1 1   32    3   22 o   14.127   2.2942   28.368   8.4064   36.732   10.758   15.254   13.471   16.009   2.5905   10.622   3.7674 5.386711 4.572073 
1 1 1   32    3   23 o   7.9465   2.9269   7.4655   8.2259   10.807   10.566   2.3252   13.106   9.2198   3.3291   8.1528   3.4549 1.066995 4.797860 
1 1 1   32    3   24 o   28.194   1.2926  107.950   9.7887  110.751   12.403  103.324   15.940   28.420   1.6317   27.219   2.1991 1.201033 2.738364 
1 1 1   32    3   25 o   23.219   1.4702   73.757   9.1212   86.271   12.444   59.228   13.409   24.983   1.8680   20.437   2.4945 4.546028 3.116392 
1 1 1   32    3   26 o   7.6927   2.8682   6.7873   7.9455   8.3467   11.067   5.1285   11.414   8.7393   3.3563   8.1779   3.3221 0.5613527 4.722398 
1 1 1   32    3   27 o   11.445   2.7707   19.275   8.4258   30.707   11.934   7.9125   11.898   14.350   3.1800   8.8061   3.4527 5.543592 4.693944 
1 1 1   32    3   28 o   29.144   1.1783  115.305   9.2234  109.087   12.696  122.255   13.422   28.143   1.6874   29.800   1.6838 -1.657038 2.383781 
1 1 1   32    3   29 o   7.0968   2.7734   4.8766   7.6578   7.5073   10.475   1.8563   11.224   8.3810   3.2524   7.5006   3.1887 0.8803530 4.554785 
1 1 1   32    3   30 o   20.661   1.5139   58.805   8.3429   55.932   11.640   61.839   11.964   19.866   2.2194   20.927   2.1596 -1.060997 3.096757 
1 1 1   32    3   31 o   8.5179   2.8985   10.103   7.9329   0.0626   10.938   21.243   11.522   7.0749   3.0788   11.736   3.4357 -4.660925 4.613314 
1 1 1   32    3   32 o   23.174   1.4167   73.956   8.7762   73.488   12.219   74.455   12.613   22.817   2.0145   22.937   2.0696 -0.1202202 2.888207 
1 1 1   32    3   33 o   6.2486   2.6547   1.3215   7.7695  -5.9686   10.815   9.0957   11.169   6.1480   2.8320   8.6789   3.3611 -2.530844 4.395137 
1 1 1   32    3   34 o   12.252   2.8426   23.041   9.1735   11.612   12.860   34.882   13.090   9.3669   3.6125   14.818   3.3656 -5.450998 4.937330 
1 1 1   32    3   35 o   6.8661   2.9894   0.8174   10.323   5.4381   19.095  -1.0909   12.271   9.2698   4.0500   7.1094   3.1697 2.160349 5.142900 
1 1 1   32    3   36 o   5.2612   2.5491 -15.1014   11.136 -27.9022   21.451 -10.3791   13.029   7.0037   3.4252   6.2370   2.9486 0.7666712 4.519506 
1 1 1   32    3   37 o   8.3163   3.1717   9.4735   9.8403   5.4345   14.404   13.008   13.475   8.3242   3.5773   9.4344   3.6812 -1.110211 5.133055 
1 1 1   32    3   38 o   16.139   2.4414   39.533   10.252   56.987   15.578   26.198   13.617   18.700   3.2176   12.125   3.7762 6.575550 4.961081 
1 1 1   32    4  -30 o   29.044   2.6243  122.403   20.250  122.403   20.250   0.0000   0.0000   29.044   2.6243  ?   ?  0.000000 2.624279 
1 1 1   32    4  -29 o   6.5916   2.9889  -4.4818   11.439   1.3015   15.944 -10.6144   16.419   8.5149   3.7111   7.3403   3.4184 1.174558 5.045524 
1 1 1   32    4  -28 o   8.6832   3.4417   7.6596   11.942  -9.5976   16.637   26.002   17.152   7.5261   3.4828   12.870   4.2609 -5.343827 5.503189 
1 1 1   32    4  -27 o   7.7423   3.1375   4.7927   10.154   2.7215   17.102   5.9202   12.619   9.0343   3.8904   8.5391   3.4836 0.4952030 5.222167 
1 1 1   32    4  -26 o   4.7107   2.2593 -11.0021   8.2346 -20.0131   11.488  -1.4809   11.809   5.1467   2.5148   7.1713   3.1577 -2.024638 4.036774 
1 1 1   32    4  -25 o   58.074   1.1232  457.241   17.520  433.671   26.690  475.086   23.223   56.165   1.7693   59.001   1.4654 -2.835312 2.297354 
1 1 1   32    4  -24 o   24.869   1.5449   84.809   10.269   74.613   14.550   94.926   14.494   22.989   2.3914   26.101   2.0849 -3.112503 3.172642 
1 1 1   32    4  -23 o   26.313   1.4131   94.560   9.9503   88.030   14.153  100.943   13.992   25.126   2.1169   26.993   1.9429 -1.867153 2.873348 
1 1 1   32    4  -22 o   40.929   1.1057  226.882   12.156  234.801   17.150  218.888   17.232   41.473   1.5396   40.016   1.6033 1.457397 2.222785 
1 1 1   32    4  -21 o   56.740   1.2341  436.894   18.808  423.465   32.524  443.641   23.054   55.246   2.1918   57.032   1.5050 -1.786011 2.658784 
1 1 1   32    4  -20 o   23.093   1.6946   73.398   10.438   77.452   15.983   70.384   13.783   23.360   2.5910   22.374   2.3276 0.9859314 3.483025 
1 1 1   32    4  -19 o   43.606   1.2602  258.135   14.759  264.063   17.789  245.040   26.439   44.003   1.5052   41.865   2.3609 2.137573 2.799855 
1 1 1   32    4  -18 o   28.005   1.5382  107.321   11.526  109.706   13.904  102.084   20.606   28.201   1.8458   26.677   2.9237 1.524321 3.457616 
1 1 1   32    4  -17 o   21.779   1.7523   65.407   10.164   69.507   13.186   59.404   15.953   22.279   2.2336   20.237   3.0282 2.042740 3.762854 
1 1 1   32    4  -16 o   18.380   2.0784   47.207   10.080   44.324   12.573   52.396   16.865   17.549   2.7583   18.779   3.4717 -1.229206 4.434050 
1 1 1   32    4  -15 o   42.740   1.0748  247.180   12.338  253.978   17.612  240.627   17.291   43.162   1.5192   42.007   1.5325 1.155312 2.157872 
1 1 1   32    4  -14 o   5.7891   2.5754  -2.4213   8.0541  -0.1511   11.166  -4.8834   11.628   7.2306   3.1285   6.7058   3.0295 0.5248199 4.354970 
1 1 1   32    4  -13 o   35.682   1.3062  172.838   12.519  155.234   20.917  182.663   15.626   33.344   2.3506   36.587   1.5901 -3.243492 2.837908 
1 1 1   32    4  -12 o   12.021   3.1869   21.367   10.456   18.723   16.279   23.224   13.642   11.660   4.1408   12.481   3.7598 -0.8207483 5.593050 
1 1 1   32    4  -11 o   11.037   1.9747   17.221   5.6388   16.516   6.4290   19.572   11.739   10.724   2.3009   11.545   3.4898 -0.8209848 4.180027 
1 1 1   32    4  -10 o   21.836   1.0098   64.430   5.9227   75.767   8.5260   53.857   8.2336   23.585   1.3516   19.822   1.5591 3.763092 2.063368 
1 1 1   32    4   -9 o   8.3799   2.3991   10.001   5.6748   8.7048   8.2431   11.169   7.8240   8.3068   2.9469   8.9594   2.8717 -0.6526241 4.114761 
1 1 1   32    4   -8 o   17.534   1.3339   41.953   6.2348   47.189   9.6738   38.233   8.1543   18.434   1.9851   16.608   1.8599 1.826220 2.720269 
1 1 1   32    4   -7 o   39.119   0.8205  206.309   8.6208  202.979   12.280  209.545   12.105   38.722   1.1807   39.352   1.1453 -0.6305885 1.644933 
1 1 1   32    4   -6 o   14.028   1.6524   27.188   6.1063   34.719   8.8396   20.314   8.4451   15.740   2.1469   11.832   2.7150 3.908438 3.461246 
1 1 1   32    4   -5 o   30.617   0.9615  126.546   7.9065  132.979   11.882  121.433   10.592   31.292   1.4137   29.924   1.3179 1.367590 1.932674 
1 1 1   32    4   -4 o   4.6316   2.1672  -6.3640   6.7267  -6.2938   11.427  -6.4012   8.3210   6.4901   2.9600   5.3231   2.4633 1.166945 3.850873 
1 1 1   32    4   -3 o   20.043   1.3288   54.708   7.1127   59.145   10.695   51.189   9.5246   20.684   1.9479   19.254   1.8651 1.429981 2.696880 
1 1 1   32    4   -2 o   25.999   1.1246   91.408   7.8532   98.384   11.852   85.949   10.485   26.817   1.6536   25.083   1.5641 1.733528 2.276118 
1 1 1   32    4   -1 o   40.351   0.8673  219.565   9.3996  228.930   13.425  210.559   13.165   41.122   1.2155   39.430   1.2431 1.691738 1.738583 
1 1 1   32    4    0 o   15.135   1.7621   31.682   7.0288   26.660   9.9827   36.620   9.8982   13.566   2.8313   16.116   2.3562 -2.550846 3.683470 
1 1 1   32    4    1 o   15.503   1.6141   33.077   6.6228   27.269   9.2366   39.222   9.5011   13.796   2.5878   16.749   2.1625 -2.953090 3.372425 
1 1 1   32    4    2 o   10.201   2.4012   14.968   6.4696   14.114   8.9945   15.884   9.3126   9.9599   3.0636   10.492   3.0937 -0.5324821 4.353915 
1 1 1   32    4    3 o   33.209   0.9349  148.824   8.3389  149.630   11.616  147.966   11.978   33.224   1.3017   33.027   1.3503 0.1969147 1.875572 
1 1 1   32    4    4 o   24.842   1.1561   83.494   7.7140   85.844   10.367   80.578   11.546   25.070   1.5472   24.218   1.7877 0.8524399 2.364250 
1 1 1   32    4    5 o   16.253   1.6705   36.391   7.1885   36.597   9.7602   36.145   10.627   16.116   2.3219   15.933   2.5708 0.1825619 3.464106 
1 1 1   32    4    6 o   12.704   2.4253   23.076   7.9736   28.323   10.755   16.673   11.882   13.940   2.9638   10.854   3.5441 3.085697 4.619978 
1 1 1   32    4    7 o   26.641   1.1330   96.022   8.1069   99.090   10.929   92.268   12.088   26.944   1.5163   25.929   1.7459 1.015173 2.312463 
1 1 1   32    4    8 o   5.1417   2.3178  -3.1269   6.7636  -1.4771   9.1782  -5.0877   10.006   6.3808   2.7973   6.1416   2.7889 0.2392621 3.950043 
1 1 1   32    4    9 o   9.4805   2.5852   12.963   6.7645   12.760   9.2964   13.192   9.8615   9.5811   3.1352   9.7593   3.2308 -0.1782217 4.501901 
1 1 1   32    4   10 o   12.236   2.2947   21.363   7.2647   25.954   9.9171   16.045   10.672   13.347   2.8528   10.582   3.3499 2.765066 4.400042 
1 1 1   32    4   11 o   32.240   1.0218  140.483   8.8483  148.474   11.877  130.517   13.264   33.069   1.3372   30.891   1.6042 2.177464 2.088436 
1 1 1   32    4   12 o   15.999   1.7413   35.416   7.3622   31.372   9.9217   40.371   10.982   14.785   2.5929   16.850   2.5026 -2.064702 3.603650 
1 1 1   32    4   13 o   29.128   1.1004  114.820   8.6092  106.828   11.543  124.838   12.924   27.952   1.5435   30.204   1.5988 -2.251833 2.222259 
1 1 1   32    4   14 o   15.611   2.0199   34.100   8.2708   43.664   11.836   24.974   11.562   17.489   2.5989   12.944   3.3120 4.544565 4.209901 
1 1 1   32    4   15 o   22.061   1.6503   66.878   9.7081   65.624   12.491   68.791   15.428   21.673   2.1751   21.988   2.6669 -0.3146915 3.441430 
1 1 1   32    4   16 o   5.2189   2.4175  -6.1921   8.0444  -2.9401   11.837  -8.9833   10.966   7.0229   3.1233   5.9872   2.7901 1.035631 4.187994 
1 1 1   32    4   17 o   8.2521   2.8624   8.9198   7.7483  -6.9674   11.733   21.208   10.319   6.4758   2.9706   11.955   3.1642 -5.478752 4.340102 
1 1 1   32    4   18 o   24.774   1.2590   83.521   8.3501   90.586   11.564   75.823   12.070   25.673   1.6864   23.391   1.9387 2.282171 2.569521 
1 1 1   32    4   19 o   24.063   1.2893   78.861   8.3025   81.969   11.457   75.425   12.048   24.389   1.7609   23.326   1.9407 1.062904 2.620471 
1 1 1   32    4   20 o   9.0721   2.8609   11.652   7.7894   21.169   10.671   0.7977   11.396   11.925   3.2451   7.4344   3.1881 4.490488 4.549129 
1 1 1   32    4   21 o   9.4895   2.8401   12.984   7.8031  -0.9672   10.528   29.989   11.624   6.8894   3.0087   14.227   3.1271 -7.338040 4.339454 
1 1 1   32    4   22 o   16.429   1.8636   37.559   8.0776   39.587   11.013   35.196   11.884   16.633   2.5460   15.504   2.9618 1.129364 3.905722 
1 1 1   32    4   23 o   22.179   1.4828   67.376   8.7822   75.676   11.875   57.356   13.047   23.367   1.9088   20.107   2.4677 3.260132 3.119818 
1 1 1   32    4   24 o   27.323   1.2372  101.374   9.0796  107.524   12.487   94.474   13.226   27.966   1.6700   26.119   1.8983 1.847282 2.528299 
1 1 1   32    4   25 o   26.441   1.4598   95.681   10.327  106.712   13.302   78.947   16.385   27.800   1.7911   23.510   2.6403 4.289722 3.190506 
1 1 1   32    4   26 o   9.3794   3.0346   12.542   8.7212   12.128   10.901   13.278   14.536   9.5190   3.3877   10.262   3.8688 -0.7434072 5.142382 
1 1 1   32    4   27 o   15.189   2.3813   33.114   9.3953   32.453   12.193   34.081   14.741   14.694   3.1815   14.826   3.7106 -0.1314611 4.887814 
1 1 1   32    4   28 o   16.037   1.8883   36.084   7.9774   35.033   11.158   37.183   11.410   15.424   2.7963   15.913   2.7702 -0.4889650 3.936178 
1 1 1   32    4   29 o   7.6499   2.8636   6.9491   7.9356   8.0231   11.154   5.8483   11.293   8.5605   3.3467   8.1631   3.3085 0.3973665 4.706013 
1 1 1   32    4   30 o   8.4179   2.8993   9.8539   7.9422   16.723   11.273   3.0842   11.191   10.519   3.4529   7.6043   3.2059 2.914464 4.711740 
1 1 1   32    4   31 o   8.0724   2.9299   8.5992   8.1999   10.311   12.238   7.2042   11.046   9.1075   3.5208   8.2831   3.3015 0.8244295 4.826599 
1 1 1   32    4   32 o   13.944   2.4080   28.676   8.6925   50.635   12.918   10.509   11.751   18.440   2.6873   9.0144   3.4592 9.425340 4.380356 
1 1 1   32    4   33 o   10.924   3.0817   18.786   9.4346   8.2769   12.993   30.505   13.721   8.7170   3.5432   13.572   3.6742 -4.854545 5.104278 
1 1 1   32    4   34 o   14.285   2.6794   31.128   9.9023   17.197   14.050   44.880   13.959   10.424   3.8273   16.819   3.2071 -6.395056 4.993309 
1 1 1   32    4   35 o   5.2007   2.5086 -13.1243   10.492 -20.7253   17.666  -8.9821   13.041   6.5774   3.1923   6.3414   2.9832 0.2359638 4.369280 
1 1 1   32    4   36 o   15.322   3.0026   37.530   11.915   56.554   17.131   19.705   16.582   18.271   3.6187   10.719   4.1102 7.552553 5.476218 
1 1 1   32    4   37 o   8.8076   3.2397   12.009   10.073  -1.4660   15.817   21.204   13.065   7.5998   3.4724   10.935   3.7197 -3.335394 5.088628 
1 1 1   32    5  -29 o   8.1936   3.9001 -18.6000   23.562 -18.6000   23.562   0.0000   0.0000   8.1936   3.9001  ?   ?  0.000000 3.900130 
1 1 1   32    5  -28 o   11.441   4.6368   16.820   22.180   16.820   22.180   0.0000   0.0000   11.441   4.6368  ?   ?  0.000000 4.636833 
1 1 1   32    5  -27 o   27.502   1.9379  105.816   14.224   88.791   19.891  123.632   20.348   24.438   3.1001   29.273   2.6156 -4.834402 4.056083 
1 1 1   32    5  -26 o   8.9230   3.2049   10.575   9.7781   9.5863   16.827   11.079   12.015   9.8852   4.0266   9.3747   3.5207 0.5105438 5.348779 
1 1 1   32    5  -25 o   39.272   1.3139  210.217   13.859  225.950   23.169  201.451   17.295   40.169   2.1553   38.265   1.6827 1.903698 2.734386 
1 1 1   32    5  -24 o   6.2696   2.7311  -0.6253   8.6258  -4.8139   12.449   3.2426   11.963   6.9129   3.1278   7.9340   3.3281 -1.021033 4.567211 
1 1 1   32    5  -23 o   11.390   2.8304   19.199   8.6212   24.583   12.402   14.167   11.992   12.709   3.5151   10.133   3.5584 2.576417 5.001821 
1 1 1   32    5  -22 o   28.010   1.3506  106.822   10.161  109.170   14.823  104.741   13.956   28.034   1.9813   27.493   1.9016 0.5409279 2.746195 
1 1 1   32    5  -21 o   14.092   2.4815   28.586   9.0493   34.463   12.768   22.654   12.828   15.202   3.2267   12.249   3.6358 2.952825 4.861166 
1 1 1   32    5  -20 o   32.383   1.3598  142.721   11.827  140.061   17.871  144.794   15.777   31.724   2.1094   32.401   1.8202 -0.6776600 2.786160 
1 1 1   32    5  -19 o   27.014   1.5294   99.947   11.052  111.665   17.235   91.764   14.402   28.226   2.2933   25.656   2.1087 2.569769 3.115365 
1 1 1   32    5  -18 o   21.043   1.6424   60.953   9.2090   70.592   13.293   52.058   12.770   22.431   2.2362   19.105   2.5522 3.325918 3.393281 
1 1 1   32    5  -17 o   11.026   2.9292   17.933   8.8220   27.648   13.034   9.7194   11.984   13.508   3.5471   9.2026   3.5024 4.305485 4.984846 
1 1 1   32    5  -16 o   26.934   1.6022   99.522   11.538  103.567   13.875   90.453   20.774   27.362   1.8997   24.922   3.1757 2.440168 3.700548 
1 1 1   32    5  -15 o   27.073   1.7337  100.895   12.540  106.132   14.002   79.670   28.188   27.706   1.8930   22.280   4.8482 5.425520 5.204666 
1 1 1   32    5  -14 o   24.740   1.4720   83.720   9.7371   89.689   13.442   77.130   14.124   25.425   1.9840   23.449   2.2710 1.975792 3.015640 
1 1 1   32    5  -13 o   10.822   2.8824   17.213   8.5280   24.195   12.391   10.928   11.755   12.679   3.5159   9.4303   3.4941 3.248273 4.956800 
1 1 1   32    5  -12 o   23.231   1.5173   73.916   9.4154   82.844   13.711   65.949   12.952   24.383   2.1145   21.681   2.2573 2.702791 3.092998 
1 1 1   32    5  -11 o   31.012   0.9731  129.991   8.1059  130.636   9.7980  128.591   14.429   31.044   1.1751   30.575   1.7645 0.4688282 2.120003 
1 1 1   32    5  -10 o   29.634   0.9934  118.716   7.9067  110.409   10.538  129.418   11.961   28.492   1.3770   30.828   1.4445 -2.335909 1.995655 
1 1 1   32    5   -9 o   27.867   0.9816  104.954   7.3471   98.282   10.935  110.446   9.9198   26.805   1.5252   28.519   1.2950 -1.714594 2.000784 
1 1 1   32    5   -8 f   5.5070   2.3216   0.7282   5.8681   1.5485   8.3912  -0.0569   8.2093   6.6341   2.7853   6.2612   2.6958 0.3729033 3.876278 
1 1 1   32    5   -7 o   40.174   0.8278  217.712   8.9318  222.567   12.740  213.019   12.526   40.530   1.1703   39.649   1.1762 0.8807144 1.659232 
1 1 1   32    5   -6 o   12.032   1.8699   20.315   5.8470   15.849   8.3912   24.530   8.1517   10.421   2.8946   13.087   2.4078 -2.666514 3.765140 
1 1 1   32    5   -5 o   18.706   1.2919   47.710   6.4508   54.229   9.4230   41.961   8.8496   19.817   1.7896   17.372   1.9292 2.445320 2.631442 
1 1 1   32    5   -4 o   22.543   1.2908   69.189   7.7835   65.804   10.910   72.698   11.108   21.817   1.8801   22.960   1.8161 -1.143198 2.613963 
1 1 1   32    5   -3 o   11.304   2.3190   18.338   6.8049   16.239   10.066   20.104   9.2347   10.586   3.2385   11.700   2.9418 -1.113481 4.375111 
1 1 1   32    5   -2 o   41.581   0.8574  233.262   9.5760  236.633   13.726  230.065   13.366   41.781   1.2232   41.202   1.2078 0.5790634 1.718979 
1 1 1   32    5   -1 o   16.247   1.7688   36.541   7.5940   52.874   12.411   26.767   9.6010   19.349   2.4426   13.590   2.7252 5.759176 3.659680 
1 1 1   32    5    0 o   23.288   1.3142   73.849   8.1871   70.108   12.165   76.946   11.069   22.473   2.0375   23.648   1.7553 -1.175043 2.689263 
1 1 1   32    5    1 o   37.388   0.9053  188.690   9.0910  187.697   13.003  189.639   12.715   37.188   1.3018   37.391   1.2661 -0.2024689 1.815941 
1 1 1   32    5    2 o   20.660   1.3198   58.175   7.2853   50.630   10.208   66.007   10.401   19.074   2.0234   21.884   1.7850 -2.809446 2.698245 
1 1 1   32    5    3 o   16.375   1.6140   36.934   7.0059   40.379   9.7919   33.321   10.028   16.954   2.2023   15.267   2.5344 1.687449 3.357599 
1 1 1   32    5    4 o   5.4431   2.3683  -0.7628   6.4708   5.1698   8.9233  -7.3424   9.3973   7.5717   2.9833   5.6137   2.6048 1.958074 3.960425 
1 1 1   32    5    5 o   7.2422   2.7172   5.7636   7.1531   2.0709   10.429   9.0444   9.8300   7.3822   3.1026   8.6812   3.1992 -1.299053 4.456569 
1 1 1   32    5    6 o   7.4666   2.6987   6.7426   6.9460  -6.1618   9.3004   23.019   10.445   5.7249   2.6330   12.472   3.1246 -6.747143 4.086080 
1 1 1   32    5    7 o   6.3795   2.5874   2.7082   6.9117  -3.8469   9.3100   10.757   10.316   6.0463   2.7231   9.1755   3.2923 -3.129184 4.272527 
1 1 1   32    5    8 f   16.551   1.6550   37.798   7.2586   46.155   9.8909   28.045   10.685   18.180   2.0620   13.823   2.9668 4.357567 3.613038 
1 1 1   32    5    9 o   23.001   1.3299   72.111   8.1808   76.203   11.371   67.721   11.778   23.500   1.8156   22.079   2.0081 1.420656 2.707236 
1 1 1   32    5   10 o   15.168   1.8156   31.997   7.2499   35.732   9.6421   27.139   10.997   15.875   2.3307   13.544   3.0910 2.331003 3.871213 
1 1 1   32    5   11 o   54.180   0.8731  396.257   12.706  406.114   17.194  384.399   18.858   54.738   1.1695   53.188   1.3201 1.550396 1.763609 
1 1 1   32    5   12 o   48.338   0.9035  315.546   11.730  314.571   15.679  316.787   17.679   48.156   1.2122   48.262   1.3638 -0.1054535 1.824647 
1 1 1   32    5   13 o   19.609   1.4829   52.704   7.7523   61.269   10.513   42.497   11.477   21.026   1.8814   17.244   2.5555 3.782505 3.173353 
1 1 1   32    5   14 o   22.402   1.3695   68.521   8.2004   77.290   11.115   58.044   12.148   23.674   1.7605   20.317   2.2647 3.356787 2.868493 
1 1 1   32    5   15 o   14.644   2.1723   30.328   8.2852   22.420   11.998   37.536   11.455   12.223   3.4848   16.106   2.7464 -3.883870 4.436946 
1 1 1   32    5   16 o   8.5507   2.9494   9.7375   8.2208   16.529   10.425  -1.4286   13.367   10.641   3.3025   7.6604   3.3666 2.980699 4.716014 
1 1 1   32    5   17 o   22.456   1.5320   69.154   9.1851   59.802   13.319   77.634   12.684   20.536   2.4639   23.624   2.0183 -3.088800 3.185037 
1 1 1   32    5   18 o   33.948   1.1830  156.316   10.787  165.828   14.086  142.827   16.774   34.860   1.5044   32.123   1.9534 2.736450 2.465568 
1 1 1   32    5   19 o   44.294   1.0259  265.472   12.205  279.256   16.665  249.526   17.924   45.297   1.3698   42.733   1.5617 2.563885 2.077288 
1 1 1   32    5   20 o   9.6978   2.8875   13.649   8.0816   5.4799   10.589   25.046   12.507   8.0349   3.2222   12.867   3.5180 -4.832174 4.770649 
1 1 1   32    5   21 o   36.498   1.0620  180.385   10.411  192.003   14.060  166.283   15.491   37.543   1.3944   34.837   1.6555 2.705750 2.164475 
1 1 1   32    5   22 o   18.584   1.7291   47.810   8.5319   61.173   11.674   32.490   12.500   20.898   2.1087   14.730   3.2469 6.168852 3.871580 
1 1 1   32    5   23 o   30.947   1.1709  130.001   9.7327  136.279   13.143  122.377   14.483   31.559   1.5505   29.751   1.8212 1.808397 2.391826 
1 1 1   32    5   24 o   17.631   1.8248   43.301   8.5166   31.491   11.166   59.732   13.169   14.580   2.9524   20.472   2.4433 -5.891380 3.832297 
1 1 1   32    5   25 o   26.986   1.7107  100.644   12.336   96.979   15.170  107.797   21.193   26.265   2.1699   27.206   2.9473 -0.9415035 3.659903 
1 1 1   32    5   26 o   21.205   1.6671   62.278   9.4180   67.978   12.842   55.645   13.854   21.914   2.2121   19.559   2.7099 2.355637 3.498136 
1 1 1   32    5   27 o   14.289   2.5351   29.864   9.3730   23.613   12.395   38.210   14.324   12.312   3.5518   15.703   3.4870 -3.390402 4.977389 
1 1 1   32    5   28 o   19.753   1.7589   54.527   9.2338   56.320   12.648   52.481   13.513   19.736   2.4378   18.867   2.7472 0.8686810 3.672821 
1 1 1   32    5   29 o   4.5979   2.2078 -10.3513   7.9134  -0.9986   11.668 -18.3172   10.768   7.0602   3.1222   4.9624   2.4269 2.097770 3.954507 
1 1 1   32    5   30 o   16.196   1.9584   37.409   8.3460   45.949   11.986   29.372   11.628   17.600   2.6151   13.676   3.2190 3.923603 4.147365 
1 1 1   32    5   31 o   11.033   2.6964   18.645   7.9230   22.823   11.198   14.457   11.211   11.910   3.3566   9.7716   3.4399 2.138125 4.806254 
1 1 1   32    5   32 o   11.042   3.1784   19.535   9.9358   5.7941   12.784   40.497   15.790   8.2028   3.4406   15.464   3.8231 -7.261600 5.143370 
1 1 1   32    5   33 o   9.4373   3.2520   13.896   9.9933   11.452   12.790   17.724   16.012   9.1221   3.5788   10.515   4.0373 -1.393011 5.395149 
1 1 1   32    5   34 o   5.0542   2.4155  -9.8945   9.2308 -16.6605   12.457  -1.6557   13.746   5.4963   2.6706   7.2485   3.2826 -1.752223 4.231711 
1 1 1   32    5   35 o   5.9046   2.7235  -4.4173   10.050  -7.6373   13.733  -0.7033   14.748   6.5551   3.0765   7.4970   3.3971 -0.9419141 4.583175 
1 1 1   32    6  -27 o   24.689   2.8217   90.496   18.375   90.496   18.375   0.0000   0.0000   24.689   2.8217  ?   ?  0.000000 2.821714 
1 1 1   32    6  -26 o   7.8876   3.4186   1.5237   13.379   0.2845   16.449   3.9460   22.997   8.4198   3.7161   9.9994   4.4046 -1.579689 5.762798 
1 1 1   32    6  -25 o   15.110   3.0773   34.560   12.065   59.997   17.440   11.217   16.707   19.809   3.4005   10.035   4.0392 9.773955 5.279996 
1 1 1   32    6  -24 o   9.5842   3.2229   13.204   9.8072   0.3841   17.355   19.218   11.887   8.7199   3.8341   11.233   3.5330 -2.512823 5.213712 
1 1 1   32    6  -23 o   29.985   1.5090  123.516   12.114  143.402   20.865  113.403   14.879   31.737   2.4671   28.511   1.9548 3.225643 3.147679 
1 1 1   32    6  -22 o   8.4366   2.9946   9.3518   8.5132   5.7447   12.104   12.883   11.976   8.3833   3.4150   9.7958   3.5431 -1.412450 4.920966 
1 1 1   32    6  -21 o   4.6872   2.2482 -10.8764   8.1557  -7.0150   12.113 -14.0788   11.031   6.5461   3.0086   5.4642   2.6192 1.081955 3.988954 
1 1 1   32    6  -20 o   15.215   2.2827   32.992   9.0403   29.474   13.348   35.973   12.288   13.874   3.5632   15.580   3.0455 -1.706527 4.687392 
1 1 1   32    6  -19 f   25.896   1.4589   91.823   10.106   83.688   14.563   99.380   14.036   24.399   2.2476   26.739   1.9682 -2.339741 2.987525 
1 1 1   32    6  -18 o   13.957   2.9225   28.739   10.604   31.454   19.532   27.604   12.628   14.130   4.5382   13.485   3.4671 0.6454620 5.711077 
1 1 1   32    6  -17 o   10.328   3.1206   15.628   9.3878   32.015   15.113   5.3319   11.979   14.403   3.8375   8.3336   3.3964 6.069177 5.124604 
1 1 1   32    6  -16 o   12.613   2.6679   23.242   8.7561   27.934   12.161   18.192   12.617   13.614   3.3489   11.155   3.6525 2.459311 4.955403 
1 1 1   32    6  -15 o   11.567   2.8046   19.716   8.6229   27.131   12.446   12.872   11.958   13.391   3.4418   9.8614   3.5439 3.529331 4.940128 
1 1 1   32    6  -14 o   4.1806   2.0759 -20.9300   8.9616 -18.2328   11.958 -24.3855   13.535   5.4496   2.6406   5.5181   2.7033 -0.6852388E-01 3.779022 
1 1 1   32    6  -13 o   31.678   1.7676  138.264   14.980  138.264   14.980   0.0000   0.0000   31.678   1.7676  ?   ?  0.000000 1.767596 
1 1 1   32    6  -12 o   51.234   1.1295  355.804   15.543  353.307   20.106  359.513   24.501   50.890   1.4710   51.147   1.7834 -0.2578239 2.311821 
1 1 1   32    6  -11 o   17.443   1.6452   42.011   7.6169   30.619   9.6251   61.101   12.459   14.573   2.5520   20.836   2.2626 -6.263145 3.410602 
1 1 1   32    6  -10 f   31.190   0.9567  131.516   8.0147  128.953   10.380  135.299   12.612   30.812   1.2543   31.488   1.4913 -0.6756363 1.948599 
1 1 1   32    6   -9 o   12.811   1.8475   23.009   6.1732   14.470   9.2133   29.965   8.3161   10.000   3.1048   14.541   2.1979 -4.540486 3.803952 
1 1 1   32    6   -8 o   21.945   1.1796   65.503   6.9274   72.233   9.6334   58.296   9.9688   22.938   1.5731   20.515   1.8283 2.423178 2.411937 
1 1 1   32    6   -7 o   27.312   1.0087  100.905   7.3993   93.242   10.742  107.823   10.207   26.087   1.5400   28.153   1.3498 -2.065979 2.047805 
1 1 1   32    6   -6 f   31.771   0.9577  136.441   8.1723  135.943   12.225  136.844   10.989   31.584   1.4410   31.735   1.2892 -0.1504307 1.933528 
1 1 1   32    6   -5 f   28.581   1.1241  110.682   8.6297  112.214   15.269  109.963   10.461   28.438   2.0120   28.427   1.3700 0.1072502E-01 2.434169 
1 1 1   32    6   -4 o   14.218   1.9876   28.391   7.3831   15.232   10.356   41.992   10.529   10.293   3.3044   17.217   2.3371 -6.924429 4.047392 
1 1 1   32    6   -3 o   36.486   0.9208  179.842   9.0242  169.734   13.109  188.947   12.442   35.316   1.3820   37.309   1.2416 -1.992641 1.857786 
1 1 1   32    6   -2 o   14.758   1.8605   30.389   7.2107   18.578   11.239   38.652   9.4003   11.221   3.4199   16.571   2.1637 -5.349947 4.046882 
1 1 1   32    6   -1 o   9.2243   2.6991   12.274   7.1126   7.0628   10.341   16.953   9.7984   8.3148   3.2302   10.742   3.1750 -2.427235 4.529377 
1 1 1   32    6    0 o   20.140   1.3691   55.427   7.3621   52.739   10.370   58.159   10.454   19.449   2.0143   20.464   1.9246 -1.015781 2.785900 
1 1 1   32    6    1 o   14.009   2.0636   27.661   7.5322   17.113   11.370   35.911   10.055   10.849   3.4602   15.867   2.4374 -5.018072 4.232489 
1 1 1   32    6    2 o   35.764   0.9985  172.966   9.5915  169.386   14.472  175.770   12.809   35.228   1.5295   35.958   1.3262 -0.7294426 2.024392 
1 1 1   32    6    3 o   26.470   1.1230   94.929   7.9842   98.407   11.094   91.193   11.500   26.803   1.5476   25.757   1.6713 1.046499 2.277787 
1 1 1   32    6    4 o   19.752   1.4991   53.511   7.8938   76.507   11.956   35.739   10.510   23.497   1.9110   15.777   2.5687 7.720163 3.201527 
1 1 1   32    6    5 f   37.893   0.9736  194.122   9.9086  209.535   13.337  175.135   14.803   39.279   1.2642   35.815   1.5388 3.464703 1.991522 
1 1 1   32    6    6 f   7.8492   2.6831   8.1622   6.7982   14.524   9.3311   0.9657   9.9245   10.028   3.1264   7.0100   2.9897 3.017821 4.325842 
1 1 1   32    6    7 o   26.218   1.1398   93.169   8.0264  100.848   11.143   84.888   11.572   27.135   1.5351   24.816   1.7473 2.319658 2.325837 
1 1 1   32    6    8 o   25.793   1.2330   90.320   8.5421   95.438   11.951   84.975   12.214   26.336   1.6986   24.789   1.8477 1.546471 2.509825 
1 1 1   32    6    9 o   14.372   1.9736   29.000   7.4173   25.507   9.7836   33.721   11.375   13.176   2.8476   15.180   2.8955 -2.003474 4.061092 
1 1 1   32    6   10 f   15.345   1.9981   33.029   8.0398   34.324   11.200   31.652   11.548   15.346   2.8212   14.638   3.0368 0.7076616 4.145052 
1 1 1   32    6   11 o   60.791   0.8851  499.129   14.452  511.106   19.603  484.866   21.391   61.376   1.1891   59.701   1.3340 1.674999 1.787047 
1 1 1   32    6   12 o   28.166   1.2434  107.745   9.4065  117.226   13.956   99.852   12.734   29.153   1.7909   26.906   1.7720 2.247503 2.519410 
1 1 1   32    6   13 o   14.837   2.0468   30.990   7.9398   38.646   10.799   21.983   11.713   16.417   2.5304   12.090   3.4418 4.326967 4.271864 
1 1 1   32    6   14 o   18.278   1.7684   46.299   8.5732   62.255   12.526   32.237   11.759   21.034   2.2522   14.756   3.0671 6.278215 3.805231 
1 1 1   32    6   15 o   26.083   1.3432   92.821   9.3779   97.117   11.945   85.919   15.140   26.565   1.6829   24.717   2.3072 1.847906 2.855762 
1 1 1   32    6   16 o   29.646   1.1648  119.223   9.2746  126.594   12.573  110.423   13.737   30.397   1.5451   28.275   1.8184 2.121828 2.386200 
1 1 1   32    6   17 o   7.9792   2.8198   8.1868   7.5404  -0.5837   10.230   18.619   11.157   6.8350   2.9759   11.198   3.4061 -4.363214 4.523041 
1 1 1   32    6   18 o   7.1805   2.8412   4.5931   8.1259   11.570   11.218  -3.1082   11.786   9.4511   3.4275   6.9516   3.1023 2.499563 4.623019 
1 1 1   32    6   19 f   25.689   1.3788   90.177   9.4785   98.453   13.279   81.578   13.534   26.658   1.8663   24.152   2.1075 2.506620 2.815072 
1 1 1   32    6   20 o   19.122   1.9256   51.013   9.7554   66.407   14.775   39.117   12.989   21.531   2.6082   16.243   3.0903 5.288282 4.043804 
1 1 1   32    6   21 o   9.3184   3.1127   12.228   9.1472   21.683   11.854  -1.6895   14.382   11.952   3.4808   7.8445   3.4678 4.107072 4.913439 
1 1 1   32    6   22 o   9.9995   2.9539   14.763   8.4829   13.139   11.860   16.463   12.138   9.8387   3.5301   10.636   3.5854 -0.7970810 5.031599 
1 1 1   32    6   23 o   27.434   1.3536  102.742   9.9738   85.448   13.390  124.300   14.949   24.692   2.0372   29.901   1.8708 -5.209946 2.765830 
1 1 1   32    6   24 o   23.696   1.7704   78.058   11.186   96.510   15.378   57.324   16.302   26.122   2.2126   19.531   3.2197 6.590773 3.906717 
1 1 1   32    6   25 o   31.705   1.2811  137.262   10.909  150.640   14.206  118.030   17.033   33.061   1.5997   28.857   2.2144 4.203566 2.731806 
1 1 1   32    6   26 o   20.701   1.6111   59.528   8.8874   47.358   11.756   75.763   13.578   18.033   2.4938   23.041   2.2216 -5.007380 3.339829 
1 1 1   32    6   27 o   9.7719   3.1306   14.422   9.2991   20.141   11.715   4.6801   15.290   11.306   3.4995   8.6949   3.7097 2.610956 5.099811 
1 1 1   32    6   28 o   15.595   2.2740   35.430   9.2448   29.939   11.790   44.194   14.896   13.786   3.2391   16.690   3.4374 -2.904027 4.723042 
1 1 1   32    6   29 o   16.952   2.0741   41.431   9.2468   53.135   11.886   23.492   14.716   19.032   2.3771   11.855   3.9477 7.176783 4.608178 
1 1 1   32    6   30 o   9.8944   2.8099   15.222   7.8166   14.447   10.935   16.033   11.177   9.6790   3.3981   10.073   3.4405 -0.3935890 4.835661 
1 1 1   32    6   31 o   5.6748   2.5921  -3.6361   8.8056  -0.0716   12.242  -7.4573   12.675   7.1550   3.1794   6.3999   2.9881 0.7551141 4.363213 
1 1 1   32    6   32 f   10.526   3.1527   18.137   9.6131   15.987   12.616   21.114   14.845   9.9353   3.6299   11.013   3.9496 -1.077750 5.364261 
1 1 1   32    6   33 o   14.834   2.5457   33.904   9.7776   21.400   12.831   51.222   15.100   11.035   3.6866   17.572   3.3210 -6.536423 4.961849 
1 1 1   32    6   34 o   5.7360   2.6833  -6.1837   10.301 -11.2752   14.634  -1.1838   14.502   6.3989   3.0535   7.3245   3.3382 -0.9255271 4.524068 
1 1 1   32    7  -26 o   12.497   4.3646   26.729   18.030   26.729   18.030   0.0000   0.0000   12.497   4.3646  ?   ?  0.000000 4.364628 
1 1 1   32    7  -25 o   20.636   3.3271   66.068   17.814   66.068   17.814   0.0000   0.0000   20.636   3.3271  ?   ?  0.000000 3.327100 
1 1 1   32    7  -24 o   21.575   3.3306   71.555   18.679   71.555   18.679   0.0000   0.0000   21.575   3.3306  ?   ?  0.000000 3.330623 
1 1 1   32    7  -23 o   23.168   1.8154   75.054   11.206   93.485   19.153   65.460   13.818   25.155   2.8870   21.277   2.4636 3.877815 3.795294 
1 1 1   32    7  -22 o   29.811   1.4618  121.934   11.704  123.939   20.286  120.933   14.330   29.295   2.6054   29.467   1.8196 -0.1719246 3.177844 
1 1 1   32    7  -21 f   12.358   3.0481   23.132   10.054   33.262   17.087   17.769   12.434   14.327   4.1810   10.895   3.6288 3.431946 5.536162 
1 1 1   32    7  -20 o   7.6096   3.0654   4.9315   9.6303   16.233   15.816  -1.7271   12.140   10.876   4.0483   7.1889   3.1817 3.686752 5.148936 
1 1 1   32    7  -19 o   16.001   2.1646   36.357   9.0641   32.993   12.788   39.753   12.850   14.734   3.3119   16.348   3.0382 -1.614354 4.494370 
1 1 1   32    7  -18 o   9.0362   3.0873   11.295   9.0003  -5.1363   12.902   26.874   12.562   6.9977   3.1735   13.237   3.4853 -6.239460 4.713637 
1 1 1   32    7  -17 o   11.212   3.1824   18.843   10.030   3.6820   15.926   28.808   12.912   8.9243   3.7963   13.718   3.4945 -4.794199 5.159742 
1 1 1   32    7  -16 o   26.682   1.5114   97.662   10.787   90.918   17.711  101.639   13.600   25.196   2.6571   27.066   1.8825 -1.870447 3.256394 
1 1 1   32    7  -15 o   36.486   1.1676  180.709   11.443  163.737   15.993  198.507   16.378   34.512   1.7253   38.061   1.6021 -3.548603 2.354447 
1 1 1   32    7  -14 o   42.964   1.0800  250.158   12.463  253.726   17.870  246.778   17.390   43.065   1.5449   42.482   1.5240 0.5833092 2.170135 
1 1 1   32    7  -13 o   27.120   1.3480  100.164   9.8193   99.224   14.156  101.037   13.632   26.708   1.9876   26.996   1.8920 -0.2873955 2.744115 
1 1 1   32    7  -12 o   18.011   1.3205   44.379   6.3438   43.320   6.8145   51.263   17.370   17.763   1.4408   18.369   3.6494 -0.6062737 3.923479 
1 1 1   32    7  -11 o   5.5842   2.4241  -0.5302   6.7480   2.6191   7.9778  -8.4492   12.650   6.6891   2.7541   6.5722   3.0399 0.1168551 4.101929 
1 1 1   32    7  -10 o   11.248   2.2914   18.254   6.6877   22.932   8.2741   9.4381   11.358   12.559   2.5401   8.9983   3.4132 3.560962 4.254660 
1 1 1   32    7   -9 o   19.647   1.3053   52.741   6.8490   52.913   8.8108   52.479   10.887   19.567   1.6932   19.328   2.1327 0.2384586 2.723120 
1 1 1   32    7   -8 o   17.537   1.4550   42.246   6.7918   50.771   9.1287   31.675   10.165   19.130   1.7977   14.770   2.6600 4.359880 3.210536 
1 1 1   32    7   -7 o   40.460   0.8953  221.193   9.7296  220.901   13.069  221.555   14.573   40.334   1.2063   40.339   1.3451 -0.5718231E-02 1.806777 
1 1 1   32    7   -6 o   29.402   1.0066  116.989   7.9492  116.209   11.354  117.738   11.133   29.184   1.4485   29.387   1.4105 -0.2033386 2.021756 
1 1 1   32    7   -5 o   18.942   1.4829   49.271   7.4843   48.068   9.6443   51.094   11.867   18.554   1.9651   18.973   2.3811 -0.4183044 3.087340 
1 1 1   32    7   -4 o   32.646   0.9534  144.113   8.3595  163.846   11.956  125.243   11.692   34.713   1.2824   30.302   1.4366 4.411074 1.925677 
1 1 1   32    7   -3 o   23.649   1.1817   75.900   7.5062   75.405   10.601   76.397   10.630   23.384   1.6995   23.541   1.6925 -0.1565418 2.398504 
1 1 1   32    7   -2 o   34.745   0.9743  163.284   9.0919  152.932   13.255  172.482   12.494   33.472   1.4744   35.609   1.3063 -2.137032 1.969874 
1 1 1   32    7   -1 o   6.5786   2.6297   3.4628   7.0282  -1.9404   10.097   8.5412   9.7888   6.5786   2.9071   8.5047   3.1810 -1.926083 4.309316 
1 1 1   32    7    0 o   9.9800   2.6557   14.583   7.2439   30.870   11.213   2.9165   9.4899   14.454   2.9870   7.2213   2.9913 7.232992 4.227324 
1 1 1   32    7    1 o   29.889   1.0877  121.047   8.7322  127.354   12.807  115.569   11.937   30.474   1.5700   29.039   1.5359 1.434822 2.196378 
1 1 1   32    7    2 o   36.317   0.9844  178.419   9.6020  184.702   14.075  172.949   13.133   36.805   1.4238   35.633   1.3722 1.171104 1.977378 
1 1 1   32    7    3 o   44.527   1.0473  268.465   12.525  252.173   22.704  275.592   15.016   42.705   1.9794   45.039   1.2413 -2.333950 2.336473 
1 1 1   32    7    4 o   6.9787   2.8717   2.9460   8.6676   7.2372   13.276  -0.2420   11.443   8.9570   3.6023   7.2586   3.1538 1.698412 4.787838 
1 1 1   32    7    5 o   23.821   1.3299   77.457   8.4750   66.830   12.626   86.171   11.433   21.819   2.1838   24.999   1.7131 -3.179789 2.775564 
1 1 1   32    7    6 o   21.639   1.4445   64.152   8.3471   59.640   12.160   68.172   11.479   20.578   2.2360   22.134   1.9508 -1.555344 2.967368 
1 1 1   32    7    7 o   11.541   2.8385   19.689   8.7378   28.222   13.636   13.744   11.381   13.574   3.6577   9.9783   3.4687 3.596067 5.040901 
1 1 1   32    7    8 o   14.451   2.1557   29.604   8.1114   31.653   11.528   27.594   11.415   14.615   3.0360   13.571   3.1862 1.043579 4.401041 
1 1 1   32    7    9 o   16.852   2.0017   39.807   8.8832   30.953   14.903   44.686   11.063   14.149   3.8285   17.721   2.3850 -3.571314 4.510619 
1 1 1   32    7   10 o   9.2288   2.9310   12.156   8.1646   8.9560   11.157   15.844   11.979   8.8579   3.3775   10.535   3.5619 -1.676736 4.908624 
1 1 1   32    7   11 o   40.250   1.0512  219.423   11.364  221.121   16.567  217.913   15.618   40.215   1.5337   39.958   1.4553 0.2573204 2.114269 
1 1 1   32    7   12 o   8.5621   2.8947   10.012   7.9118  -1.1315   11.145   21.333   11.234   7.0300   3.0822   11.904   3.3643 -4.874276 4.562712 
1 1 1   32    7   13 o   16.271   2.0017   37.151   8.5635   47.580   13.225   29.622   11.238   18.102   2.8111   14.115   3.0530 3.987279 4.150076 
1 1 1   32    7   14 o   38.771   1.0799  203.715   11.246  213.539   15.262  192.046   16.635   39.557   1.4365   37.416   1.6553 2.141014 2.191664 
1 1 1   32    7   15 o   18.429   1.7077   47.032   8.3569   48.076   11.772   45.972   11.865   18.351   2.4495   17.901   2.5391 0.4505672 3.527996 
1 1 1   32    7   16 o   20.203   1.6147   56.298   8.6887   55.687   11.965   56.980   12.638   19.834   2.2879   20.017   2.3985 -0.1821404 3.314676 
1 1 1   32    7   17 o   15.243   2.2203   33.055   8.8230   17.608   11.982   51.347   13.040   10.924   3.5586   18.866   2.6461 -7.941577 4.434631 
1 1 1   32    7   18 o   33.434   1.1898  151.925   10.685  156.546   14.204  145.902   16.216   33.793   1.5649   32.434   1.8693 1.358353 2.437882 
1 1 1   32    7   19 o   22.302   1.4996   68.404   8.9309   59.606   11.904   79.734   13.509   20.537   2.1918   23.810   2.1350 -3.273035 3.059751 
1 1 1   32    7   20 o   7.5428   2.8389   6.5659   7.8201   2.5143   10.283   12.122   12.042   7.3210   3.0791   9.6041   3.5408 -2.283084 4.692292 
1 1 1   32    7   21 f   13.263   2.3455   25.488   8.0498   24.047   10.680   27.384   12.248   12.559   3.1669   13.311   3.4105 -0.7521877 4.654128 
1 1 1   32    7   22 o   18.512   1.7650   47.860   8.6695   53.941   11.658   40.336   12.967   19.425   2.2776   16.369   3.0620 3.056789 3.816225 
1 1 1   32    7   23 o   9.8194   3.3225   14.160   10.423   5.5033   12.510   33.818   18.851   8.3205   3.4395   14.181   4.4474 -5.860486 5.622272 
1 1 1   32    7   24 o   23.216   1.7048   75.194   10.557   92.548   14.043   52.643   16.008   25.554   2.0636   18.437   3.3563 7.116739 3.939899 
1 1 1   32    7   25 o   8.2691   3.1733   8.3384   9.8883   10.752   11.541   1.6754   19.177   9.0541   3.4391   9.0099   3.9927 0.4421806E-01 5.269642 
1 1 1   32    7   26 o   6.0371   2.6800  -1.3784   8.6777   0.9088   11.563  -4.3277   13.130   7.2434   3.1585   6.9694   3.1764 0.2739358 4.479431 
1 1 1   32    7   27 o   16.889   2.1503   41.403   9.5330   34.451   11.692   55.190   16.465   14.856   3.0329   18.572   3.4269 -3.716716 4.576268 
1 1 1   32    7   28 o   10.385   3.0424   17.122   9.0322   17.085   11.482   17.180   14.629   10.310   3.4872   10.423   3.8907 -0.1120987 5.224721 
1 1 1   32    7   29 o   8.3056   2.9347   10.135   8.1671   21.746   11.056  -3.8085   12.116   11.447   3.3697   6.6385   3.0355 4.808571 4.535301 
1 1 1   32    7   30 o   13.266   2.7733   27.670   9.5636   19.108   12.560   39.482   14.753   10.607   3.6464   15.134   3.6676 -4.527138 5.171844 
1 1 1   32    7   31 o   9.3992   3.0802   14.337   8.9722   10.039   12.444   18.990   12.949   8.6408   3.4832   10.469   3.6957 -1.827712 5.078432 
1 1 1   32    7   32 o   19.740   1.8742   56.683   9.8180   58.000   14.293   55.506   13.510   19.037   2.8858   18.735   2.7680 0.3022079 3.998699 
1 1 1   32    8  -25 f   12.911   4.8836   31.280   23.209   31.280   23.209   0.0000   0.0000   12.911   4.8836  ?   ?  0.000000 4.883564 
1 1 1   32    8  -24 o   8.6796   3.7441   4.7966   15.895   4.7966   15.895   0.0000   0.0000   8.6796   3.7441  ?   ?  0.000000 3.744092 
1 1 1   32    8  -23 o   15.996   4.1696   43.796   18.097   43.796   18.097   0.0000   0.0000   15.996   4.1696  ?   ?  0.000000 4.169556 
1 1 1   32    8  -22 o   12.542   3.7292   25.599   13.486   5.6925   17.730   52.930   20.774   9.2364   3.9691   17.530   4.4147 -8.293500 5.936602 
1 1 1   32    8  -21 f   17.241   2.3320   43.059   10.522   14.690   17.035   60.558   13.379   10.510   4.1280   20.389   2.4952 -9.878489 4.823545 
1 1 1   32    8  -20 f   26.192   1.6273   95.137   11.391  103.156   18.865   90.536   14.290   26.585   2.6784   25.269   2.1252 1.315929 3.419130 
1 1 1   32    8  -19 o   8.3325   3.1769   8.2384   9.8715  -3.1474   17.616   13.450   11.919   8.3279   3.7487   9.8074   3.5366 -1.479474 5.153615 
1 1 1   32    8  -18 o   34.667   1.3559  164.346   12.626  171.514   21.363  160.498   15.651   34.771   2.3004   34.036   1.7176 0.7352448 2.870922 
1 1 1   32    8  -17 o   9.1204   3.1750   11.534   9.5367   15.769   15.977   9.1898   11.887   10.773   4.0572   8.9467   3.4667 1.826123 5.336541 
1 1 1   32    8  -16 f   17.171   2.2623   42.059   10.180   33.029   16.428   47.687   12.970   14.365   4.0714   18.058   2.7619 -3.692327 4.919830 
1 1 1   32    8  -15 o   40.206   1.3416  220.580   14.488  227.846   27.542  217.800   17.036   39.950   2.5806   39.823   1.5927 0.1269646 3.032546 
1 1 1   32    8  -14 o   5.3975   2.5391  -8.9432   9.4467  -9.5530   15.292  -8.5669   12.013   7.1904   3.3316   6.3265   2.9388 0.8638959 4.442523 
1 1 1   32    8  -13 o   8.2675   2.9937   8.6841   8.5536   0.8410   12.111   16.489   12.082   7.5762   3.2682   10.641   3.5772 -3.064866 4.845353 
1 1 1   32    8  -12 o   28.230   0.9849  107.898   7.4682  107.360   8.8023  109.279   14.109   28.114   1.1657   28.053   1.8835 0.6110001E-01 2.215001 
1 1 1   32    8  -11 o   8.1564   2.3751   9.5660   5.5196   7.3597   7.2933   12.524   8.4443   7.6696   2.7664   9.3374   2.9824 -1.667785 4.067864 
1 1 1   32    8  -10 o   15.052   1.7677   31.595   7.0101   45.646   9.8758   17.325   9.9522   18.013   2.0795   10.786   3.2027 7.226542 3.818553 
1 1 1   32    8   -9 o   7.7648   2.5966   8.2049   6.3654   4.8242   8.7183   12.065   9.3154   7.3802   2.9358   9.2962   3.1410 -1.916002 4.299383 
1 1 1   32    8   -8 o   49.990   0.8085  337.376   10.856  328.185   15.241  346.839   15.465   49.170   1.1541   50.555   1.1389 -1.385139 1.621444 
1 1 1   32    8   -7 o   15.869   1.5585   34.791   6.5569   20.586   9.0315   50.623   9.5347   11.773   2.8799   19.058   1.8875 -7.285170 3.443278 
1 1 1   32    8   -6 o   12.247   2.3896   21.702   7.5781   27.374   11.078   16.715   10.389   13.519   3.1149   10.637   3.2961 2.882280 4.535066 
1 1 1   32    8   -5 o   16.008   1.9462   35.927   8.1957   40.664   10.251   27.534   13.645   16.904   2.3189   13.373   3.6821 3.530429 4.351457 
1 1 1   32    8   -4 o   19.447   1.4688   51.945   7.6153   63.410   10.389   38.628   11.196   21.373   1.8272   16.336   2.6419 5.037498 3.212222 
1 1 1   32    8   -3 o   42.036   1.0232  239.293   11.553  238.879   15.403  239.826   17.466   41.861   1.3699   41.856   1.5536 0.5718231E-02 2.071361 
1 1 1   32    8   -2 o   19.962   1.5296   54.820   8.1389   67.775   10.558   35.845   12.777   22.115   1.7929   15.489   3.1779 6.625564 3.648731 
1 1 1   32    8   -1 o   7.5173   2.7760   6.7001   7.4077   17.309   9.7480  -7.7987   11.396   10.790   3.1605   6.2312   2.8832 4.558929 4.278097 
1 1 1   32    8    0 o   14.739   1.9906   30.587   7.6790   37.421   9.9929   20.731   12.000   16.186   2.3687   11.722   3.5251 4.464390 4.247009 
1 1 1   32    8    1 o   7.6648   2.7457   7.3998   7.1726   14.388   10.255   0.7084   10.035   10.011   3.2937   6.9706   2.9905 3.040047 4.448787 
1 1 1   32    8    2 o   18.364   1.6030   46.551   7.8277   46.818   11.458   46.318   10.719   18.116   2.4150   18.084   2.2558 0.3238869E-01 3.304653 
1 1 1   32    8    3 o   9.8266   2.8181   14.170   7.8239   17.093   10.264   10.116   12.087   10.738   3.2672   9.2529   3.5184 1.484835 4.801424 
1 1 1   32    8    4 o   11.412   2.6815   19.173   8.0799   11.177   11.557   26.819   11.301   9.3906   3.4674   13.352   3.1940 -3.961844 4.714306 
1 1 1   32    8    5 o   19.791   1.6015   54.013   8.4404   65.150   12.965   45.822   11.119   21.475   2.2828   17.940   2.3652 3.535204 3.287168 
1 1 1   32    8    6 o   13.250   2.3248   25.226   7.9717   25.655   12.039   24.891   10.638   12.989   3.4082   12.885   3.1094 0.1042957 4.613476 
1 1 1   32    8    7 o   18.836   1.7983   49.295   8.9875   62.798   12.947   36.735   12.486   21.058   2.3279   15.733   3.0650 5.324684 3.848820 
1 1 1   32    8    8 o   10.890   2.6015   17.418   7.5046   14.693   10.151   20.702   11.145   10.079   3.2750   11.714   3.3647 -1.635358 4.695373 
1 1 1   32    8    9 o   22.901   1.3398   71.694   8.2051   62.719   11.471   81.097   11.741   21.166   2.0433   24.186   1.8207 -3.020729 2.736747 
1 1 1   32    8   10 o   35.232   1.0142  168.105   9.5977  172.360   13.292  163.471   13.873   35.543   1.3924   34.574   1.4939 0.9695053 2.042148 
1 1 1   32    8   11 o   27.845   1.1956  105.359   8.9418  107.557   12.174  102.785   13.177   27.950   1.6287   27.242   1.8112 0.7080746 2.435798 
1 1 1   32    8   12 o   9.3790   2.9548   12.712   8.3108   6.7010   12.290   17.777   11.281   8.6075   3.4644   10.927   3.4427 -2.319238 4.884100 
1 1 1   32    8   13 o   26.878   1.3799   98.840   9.9284  108.668   12.496   82.011   16.351   28.070   1.6649   23.923   2.5858 4.146358 3.075375 
1 1 1   32    8   14 o   21.453   1.6221   63.554   9.2772   66.998   11.658   57.605   15.320   21.873   2.0067   19.795   2.9733 2.078106 3.587141 
1 1 1   32    8   15 o   13.747   2.3972   27.331   8.5292   15.139   10.960   46.052   13.581   10.207   3.4072   17.649   2.9705 -7.442456 4.520301 
1 1 1   32    8   16 f   9.4228   2.9333   12.976   8.2173   21.624   10.651   0.2576   12.916   11.915   3.2418   7.6769   3.3431 4.238136 4.656812 
1 1 1   32    8   17 o   9.6279   2.9492   13.676   8.3451   4.1600   10.294   31.920   14.253   7.6133   3.1308   14.256   3.6927 -6.642663 4.841301 
1 1 1   32    8   18 o   19.851   1.7254   54.855   9.1080   58.332   11.349   48.563   15.267   20.302   2.1122   17.869   3.3026 2.432421 3.920224 
1 1 1   32    8   19 o   6.9178   2.7851   4.0147   7.9448   5.4471   10.683   2.2424   11.884   7.9203   3.2152   7.6561   3.2686 0.2641311 4.584898 
1 1 1   32    8   20 f   8.0178   3.0042   7.9119   8.7380   8.9765   11.035   6.1226   14.307   8.6792   3.3466   8.7806   3.6579 -0.1014376 4.957885 
1 1 1   32    8   21 f   23.122   1.5547   74.126   9.5993   77.054   12.092   69.135   15.786   23.373   1.9438   21.602   2.7856 1.770531 3.396744 
1 1 1   32    8   22 o   9.1261   3.1922   12.021   9.6462   3.8555   11.327   33.572   18.402   7.6976   3.2342   13.943   4.3973 -6.245569 5.458578 
1 1 1   32    8   23 o   19.230   1.8429   52.323   9.4022   48.422   11.708   59.408   15.779   18.140   2.4669   19.666   3.0890 -1.526724 3.953222 
1 1 1   32    8   24 o   14.458   2.2853   30.728   8.5793   33.782   11.565   26.992   12.793   14.728   3.0248   12.802   3.5805 1.926506 4.687209 
1 1 1   32    8   25 f   4.3577   2.1540 -18.6621   9.2481 -19.8881   11.713 -16.6325   15.070   5.0961   2.5003   6.2841   3.0249 -1.188028 3.924514 
1 1 1   32    8   26 o   6.5284   2.7581   2.4328   8.3112   7.1926   11.052  -3.7625   12.609   8.0720   3.2725   6.7916   3.1020 1.280464 4.509110 
1 1 1   32    8   27 o   6.0246   2.6870  -1.1672   8.8280  -4.1934   12.269   2.0812   12.712   6.6125   3.0350   7.5169   3.2938 -0.9044366 4.478844 
1 1 1   32    8   28 f   7.7756   2.8949   8.4444   8.0885   20.924   10.985  -6.3365   11.954   11.113   3.3795   6.2505   2.9129 4.862967 4.461618 
1 1 1   32    8   29 o   16.059   2.3644   39.130   9.8935   38.522   13.040   39.955   15.187   15.145   3.2991   14.935   3.7819 0.2093534 5.018657 
1 1 1   32    8   30 o   8.1261   3.2257   9.0976   10.505   12.986   15.212   5.5533   14.524   9.2660   3.8076   8.1112   3.5383 1.154800 5.197845 
1 1 1   32    8   31 o   19.230   2.4216   57.102   12.230   29.702   17.115   85.691   17.483   12.000   4.2475   22.988   2.8958 -10.98771 5.140727 
1 1 1   32    9  -23 o   10.865   4.1865   19.378   17.260   19.378   17.260   0.0000   0.0000   10.865   4.1865  ?   ?  0.000000 4.186527 
1 1 1   32    9  -22 o   17.662   3.9628   53.271   18.337   53.271   18.337   0.0000   0.0000   17.662   3.9628  ?   ?  0.000000 3.962788 
1 1 1   32    9  -21 o   8.1379   3.6388  -0.1388   16.299  -0.1388   16.299   0.0000   0.0000   8.1379   3.6388  ?   ?  0.000000 3.638784 
1 1 1   32    9  -20 o   13.759   3.4745   30.620   12.843   33.890   17.493   26.796   18.916   13.942   4.2698   12.480   4.4602 1.461613 6.174526 
1 1 1   32    9  -19 o   23.768   2.2753   81.510   14.348   70.529   19.560   94.301   21.111   21.079   3.5832   24.736   3.2566 -3.657434 4.841983 
1 1 1   32    9  -18 o   19.524   2.0408   54.270   10.543   34.768   19.107   62.808   12.643   14.173   4.4819   20.867   2.2935 -6.694758 5.034678 
1 1 1   32    9  -17 f   7.0776   2.9368   3.2937   9.1699   16.516   15.939  -3.2484   11.211   10.732   4.0499   6.6280   2.9863 4.104060 5.031919 
1 1 1   32    9  -16 f   17.083   2.2956   42.059   10.266   50.382   17.414   37.625   12.710   17.798   3.7605   15.708   3.1225 2.090235 4.887914 
1 1 1   32    9  -15 o   18.093   2.1401   46.625   10.198   55.405   17.903   42.406   12.408   18.796   3.6779   16.893   2.8351 1.902166 4.643806 
1 1 1   32    9  -14 o   19.761   2.2016   55.599   11.486   45.660   25.489   58.132   12.867   16.025   5.1882   20.088   2.4345 -4.062511 5.730985 
1 1 1   32    9  -13 f   20.093   1.9009   56.599   10.137   24.231   16.242   77.252   12.974   12.404   4.1477   23.405   2.0856 -11.00094 4.642557 
1 1 1   32    9  -12 o   8.0382   2.7175   8.9031   6.9727   10.703   8.5529   5.3360   12.040   8.7729   3.0094   8.2457   3.3878 0.5271921 4.531437 
1 1 1   32    9  -11 o   18.563   1.2536   47.168   6.2139   43.934   8.4458   50.984   9.1749   17.736   1.7977   19.115   1.8086 -1.378223 2.550060 
1 1 1   32    9  -10 o   16.601   1.5715   38.170   6.9240   40.215   10.224   36.437   9.4103   16.751   2.3360   15.966   2.2574 0.7858229 3.248503 
1 1 1   32    9   -9 o   4.6124   2.1447  -5.2263   6.4228  -7.5660   8.2637  -1.6565   10.208   5.0933   2.3892   6.6132   2.9226 -1.519853 3.774924 
1 1 1   32    9   -8 o   20.700   1.3863   58.787   7.6633   69.079   10.581   47.434   11.113   22.299   1.7815   18.233   2.3220 4.066248 2.926694 
1 1 1   32    9   -7 o   16.024   1.7915   35.866   7.5786   34.893   11.554   36.600   10.040   15.347   2.9095   15.947   2.4200 -0.6004038 3.784364 
1 1 1   32    9   -6 o   14.030   1.8248   27.621   6.7138   33.015   9.4477   22.118   9.5426   15.141   2.4034   12.151   2.9529 2.990542 3.807348 
1 1 1   32    9   -5 o   15.173   1.8192   32.224   7.2662   30.995   9.7305   33.774   10.925   14.593   2.5768   15.156   2.7864 -0.5631313 3.795194 
1 1 1   32    9   -4 o   19.958   1.3914   54.645   7.4121   52.615   10.485   56.674   10.480   19.347   2.0489   20.122   1.9641 -0.7746754 2.838275 
1 1 1   32    9   -3 o   17.404   1.5588   41.842   7.2096   48.315   10.047   34.970   10.352   18.531   2.0529   15.527   2.5724 3.004816 3.291150 
1 1 1   32    9   -2 o   11.601   2.2683   19.450   6.8145   22.437   9.8339   16.691   9.4519   12.228   3.0136   10.580   3.1159 1.647816 4.334869 
1 1 1   32    9   -1 o   27.094   1.1264   99.662   8.1971   89.724   11.484  109.983   11.704   25.485   1.6873   28.287   1.5463 -2.802568 2.288670 
1 1 1   32    9    0 o   21.329   1.3624   62.315   7.7644   75.112   10.957   49.408   11.004   23.277   1.7658   18.666   2.2396 4.611408 2.851966 
1 1 1   32    9    1 o   25.424   1.3322   88.364   9.0657   76.265   12.648  101.148   13.001   23.336   2.0384   27.013   1.8022 -3.676479 2.720843 
1 1 1   32    9    2 o   6.3931   2.6385   2.3296   7.3445   11.750   10.630  -6.2753   10.159   9.3554   3.3435   5.9741   2.7493 3.381205 4.328706 
1 1 1   32    9    3 o   8.9281   2.8483   11.410   7.7038   18.248   11.328   5.5248   10.508   11.034   3.4454   7.9658   3.2045 3.067819 4.705253 
1 1 1   32    9    4 o   23.690   1.4568   77.036   9.2246   80.356   12.339   72.831   13.889   24.005   1.9301   22.664   2.3140 1.340710 3.013314 
1 1 1   32    9    5 o   7.7436   2.8062   7.5053   7.5174   5.2726   9.9801   10.433   11.429   7.7824   3.1256   9.1694   3.4358 -1.386994 4.644790 
1 1 1   32    9    6 o   17.258   1.8544   41.635   8.4611   41.512   10.959   41.818   13.313   16.981   2.4755   16.759   3.0708 0.2222576 3.944390 
1 1 1   32    9    7 o   13.076   2.6188   25.091   8.8769   13.339   12.235   38.154   12.899   9.9105   3.5817   15.961   3.1208 -6.050145 4.750610 
1 1 1   32    9    8 o   24.210   1.4996   80.591   9.7031   81.788   13.378   79.262   14.095   24.133   2.0844   23.674   2.2434 0.4592590 3.062282 
1 1 1   32    9    9 o   15.732   2.2317   35.324   9.1654   39.115   12.677   31.172   13.266   16.200   3.0248   14.208   3.4994 1.992403 4.625491 
1 1 1   32    9   10 o   18.738   1.7313   48.833   8.6150   58.001   11.279   35.994   13.348   20.277   2.1014   15.362   3.3310 4.915227 3.938461 
1 1 1   32    9   11 o   15.724   2.2484   35.373   9.2252   40.703   12.860   29.723   13.241   16.520   3.0091   13.825   3.5481 2.694944 4.652321 
1 1 1   32    9   12 o   23.094   1.5305   73.541   9.4400   59.883   11.477  102.099   16.597   20.588   2.1052   26.796   2.3292 -6.207678 3.139576 
1 1 1   32    9   13 f   7.3063   2.8716   5.2775   8.2489   3.3965   10.532   8.2631   13.268   7.5200   3.1361   9.0026   3.6081 -1.482609 4.780553 
1 1 1   32    9   14 o   20.698   1.5934   59.343   8.7901   51.630   11.509   70.140   13.617   18.984   2.3044   22.151   2.3234 -3.166534 3.272388 
1 1 1   32    9   15 o   17.691   1.8404   43.947   8.6169   39.739   11.851   48.669   12.552   16.363   2.7968   18.231   2.6402 -1.867706 3.846131 
1 1 1   32    9   16 f   23.457   1.4230   75.802   8.9234   81.040   12.152   69.671   13.146   24.027   1.8985   22.076   2.2485 1.951138 2.942766 
1 1 1   32    9   17 f   21.511   1.5100   64.064   8.6692   62.580   12.074   65.643   12.456   20.926   2.1801   21.428   2.1951 -0.5016727 3.093782 
1 1 1   32    9   18 o   7.6905   2.8533   7.4517   7.8442   2.5844   10.653   13.216   11.593   7.3248   3.1101   9.6196   3.4850 -2.294791 4.670961 
1 1 1   32    9   19 o   18.857   1.7331   49.969   8.6796   63.318   11.943   35.024   12.636   21.009   2.1466   14.951   3.2403 6.057797 3.886823 
1 1 1   32    9   20 o   8.9891   3.1019   11.879   9.0931   22.159   13.173   2.5225   12.567   11.643   3.7257   7.7239   3.3305 3.918720 4.997309 
1 1 1   32    9   21 o   14.527   2.3991   31.308   9.0344   31.325   11.169   31.275   15.364   14.155   3.0294   13.508   3.9711 0.6468658 4.994675 
1 1 1   32    9   22 o   16.035   2.0951   37.358   8.8075   41.402   11.766   32.205   13.283   16.466   2.7579   13.942   3.5406 2.524831 4.487927 
1 1 1   32    9   23 o   17.828   1.8913   45.614   8.9180   52.249   12.031   37.523   13.287   18.705   2.4539   15.161   3.3519 3.543647 4.154119 
1 1 1   32    9   24 o   10.229   2.9576   16.754   8.5859   18.110   11.057   14.695   13.626   10.464   3.4189   9.7571   3.7296 0.7069378 5.059539 
1 1 1   32    9   25 o   22.422   1.5946   71.052   9.5409   67.441   12.260   76.596   15.192   21.407   2.1620   22.438   2.5670 -1.031870 3.356106 
1 1 1   32    9   26 f   10.741   2.8872   18.733   8.5087   12.590   11.195   27.137   13.093   9.0204   3.3964   12.349   3.6750 -3.328290 5.004088 
1 1 1   32    9   27 o   18.287   2.0438   49.383   9.8672   38.891   15.019   57.350   13.088   14.633   3.7908   19.211   2.6037 -4.577518 4.598804 
1 1 1   32    9   28 o   8.3897   3.4441   9.5382   12.430   4.8332   19.244   12.907   16.283   8.5942   3.8887   9.2640   3.8842 -0.6697788 5.496257 
1 1 1   32    9   29 o   8.7675   3.5208   12.043   12.661 -21.7438   19.232   37.887   16.820   6.5455   3.2099   13.615   4.1897 -7.069963 5.277984 
1 1 1   32   10  -22 o   19.164   5.4508   81.320   29.391   81.320   29.391   0.0000   0.0000   19.164   5.4508  ?   ?  0.000000 5.450785 
1 1 1   32   10  -21 o   10.228   4.0771   16.451   16.848   16.451   16.848   0.0000   0.0000   10.228   4.0771  ?   ?  0.000000 4.077144 
1 1 1   32   10  -20 o   9.7569   4.0345   12.624   17.219   12.624   17.219   0.0000   0.0000   9.7569   4.0345  ?   ?  0.000000 4.034519 
1 1 1   32   10  -19 o   12.081   3.7730   24.939   13.583   26.464   17.794   22.810   21.028   12.164   4.3281   11.558   4.5715 0.6059542 6.295319 
1 1 1   32   10  -18 o   7.3788   3.2293   1.2333   12.185 -16.3710   16.760   20.973   17.748   6.7248   3.2248   11.272   4.2688 -4.546714 5.349948 
1 1 1   32   10  -17 o   21.151   2.4393   65.881   13.603   63.861   18.705   68.150   19.819   19.814   3.6494   20.375   3.7602 -0.5610294 5.239895 
1 1 1   32   10  -16 f   9.3397   3.6456   11.425   13.220   16.344   18.098   5.7992   19.357   10.680   4.2357   9.4050   4.0942 1.274952 5.890964 
1 1 1   32   10  -15 o   16.878   2.3081   41.514   10.189   58.121   18.287   34.038   12.269   18.952   3.7255   14.748   3.1901 4.203162 4.904664 
1 1 1   32   10  -14 o   7.8641   3.1116   6.6146   9.7460   9.1359   16.967   5.3730   11.906   9.5759   3.9859   8.0857   3.3501 1.490131 5.206775 
1 1 1   32   10  -13 o   5.9670   2.7432  -5.4629   10.080   27.380   20.491 -15.9477   11.578   12.784   4.6329   5.4104   2.6159 7.373570 5.320431 
1 1 1   32   10  -12 o   10.790   3.3320   18.014   10.628  -7.0590   23.874   24.210   11.869   9.0957   4.1962   12.375   3.4443 -3.279357 5.428731 
1 1 1   32   10  -11 o   8.1330   3.2749   6.3883   10.987 -21.3700   23.965   13.774   12.362   8.1272   3.8864   9.8723   3.5953 -1.745039 5.294350 
1 1 1   32   10  -10 o   17.395   1.5683   42.041   7.2485   39.839   9.8536   44.638   10.701   16.635   2.2641   17.594   2.3210 -0.9586964 3.242454 
1 1 1   32   10   -9 o   12.345   2.1693   22.034   6.9308   31.192   9.2731   10.445   10.432   14.616   2.4487   8.9176   3.2940 5.698557 4.104505 
1 1 1   32   10   -8 o   30.339   1.0624  125.083   8.6577  120.731   11.446  130.903   13.236   29.663   1.4366   30.767   1.6073 -1.103905 2.155761 
1 1 1   32   10   -7 o   37.983   0.9713  195.639   9.9093  193.628   12.978  198.451   15.346   37.652   1.2833   37.999   1.5036 -0.3474464 1.976765 
1 1 1   32   10   -6 o   23.373   1.3110   74.872   8.1971   76.082   10.522   73.005   13.074   23.410   1.6847   22.687   2.1721 0.7228451 2.748862 
1 1 1   32   10   -5 o   16.910   1.5775   39.679   7.0821   45.265   10.201   34.481   9.8403   17.826   2.1757   15.403   2.4614 2.422634 3.285101 
1 1 1   32   10   -4 o   9.4736   2.8463   13.284   7.8265   18.898   11.003   7.5346   11.134   11.119   3.3827   8.4476   3.3312 2.671520 4.747551 
1 1 1   32   10   -3 o   17.140   1.6839   40.920   7.6523   56.444   10.610   24.092   11.047   20.020   2.0000   12.520   3.2548 7.499249 3.820186 
1 1 1   32   10   -2 o   12.963   2.2384   24.252   7.5115   13.047   10.088   38.194   11.253   9.5532   3.2685   16.124   2.6933 -6.571097 4.235182 
1 1 1   32   10   -1 o   18.863   1.5355   49.193   7.7120   48.164   10.841   50.247   10.973   18.372   2.2436   18.782   2.2178 -0.4101944 3.154780 
1 1 1   32   10    0 o   23.489   1.3772   75.724   8.6510   71.160   12.887   79.467   11.671   22.416   2.1675   23.870   1.8345 -1.453266 2.839663 
1 1 1   32   10    1 o   13.568   2.3300   26.654   8.1852   31.343   12.242   22.864   11.007   14.307   3.2587   12.194   3.2863 2.112273 4.628107 
1 1 1   32   10    2 o   18.134   1.7089   45.800   8.2254   45.086   10.628   46.866   12.990   17.749   2.2822   17.836   2.8041 -0.8653259E-01 3.615410 
1 1 1   32   10    3 o   16.498   1.7561   38.056   7.6624   41.824   10.642   34.000   11.042   17.033   2.3921   15.131   2.8207 1.902479 3.698456 
1 1 1   32   10    4 o   19.887   1.5798   54.750   8.3686   53.655   12.115   55.749   11.573   19.326   2.3846   19.790   2.2153 -0.4639511 3.254804 
1 1 1   32   10    5 o   12.652   2.4894   23.502   8.1583   31.205   11.595   15.951   11.481   14.337   3.1012   10.376   3.4871 3.961456 4.666673 
1 1 1   32   10    6 o   12.958   2.3180   24.383   7.7713   18.179   10.697   31.319   11.310   10.916   3.3382   14.397   3.0211 -3.480657 4.502271 
1 1 1   32   10    7 o   21.583   1.4466   64.179   8.3376   70.050   11.436   57.516   12.182   22.341   1.9245   20.042   2.3050 2.299816 3.002797 
1 1 1   32   10    8 o   30.756   1.1050  128.664   9.1282  119.533   12.338  139.707   13.568   29.418   1.5672   31.834   1.5868 -2.416857 2.230242 
1 1 1   32   10    9 o   8.9447   2.9960   11.489   8.4745   2.8526   12.592   18.640   11.458   7.9126   3.3710   11.007   3.4696 -3.094853 4.837536 
1 1 1   32   10   10 o   11.630   2.9812   20.650   9.3560   48.172   15.370   4.4503   11.792   17.671   3.3613   7.9730   3.3212 9.697660 4.725348 
1 1 1   32   10   11 o   11.331   2.9919   19.655   9.2402   5.8399   12.609   35.684   13.581   8.3747   3.4568   15.090   3.4288 -6.714802 4.868887 
1 1 1   32   10   12 o   16.316   1.9045   37.692   8.1891   47.072   11.470   27.939   11.696   17.981   2.4377   13.371   3.2812 4.609876 4.087618 
1 1 1   32   10   13 o   20.469   1.5665   58.241   8.5469   47.732   11.745   70.070   12.461   18.061   2.4872   22.165   2.1189 -4.104254 3.267398 
1 1 1   32   10   14 o   36.042   1.1176  177.192   10.819  200.129   15.080  152.863   15.530   38.086   1.4741   33.062   1.7552 5.023937 2.292065 
1 1 1   32   10   15 o   10.239   2.8613   16.109   8.1735   22.547   10.856   7.6820   12.420   11.919   3.2852   8.5651   3.4703 3.354395 4.778682 
1 1 1   32   10   16 f   15.879   2.0418   36.285   8.5067   31.987   11.333   41.830   12.874   14.343   3.0364   16.466   3.0223 -2.122743 4.284175 
1 1 1   32   10   17 o   14.604   2.1402   31.046   8.1457   33.445   10.884   27.991   12.281   14.756   2.8494   13.108   3.4436 1.647943 4.469578 
1 1 1   32   10   18 o   7.3646   2.8465   6.4244   7.9979   2.3856   10.987   10.977   11.665   7.2634   3.1229   8.9734   3.4458 -1.709970 4.650439 
1 1 1   32   10   19 o   14.697   2.3472   32.146   8.9539   37.341   13.112   27.607   12.256   15.183   3.3088   12.896   3.4646 2.287723 4.790807 
1 1 1   32   10   20 o   5.5849   2.5347  -2.8795   8.2509  -3.7815   10.838  -1.6359   12.725   6.2871   2.8733   7.0576   3.1806 -0.7704344 4.286250 
1 1 1   32   10   21 o   20.596   1.6362   60.038   8.9766   64.621   13.186   56.081   12.254   20.780   2.4072   19.343   2.4111 1.437042 3.406995 
1 1 1   32   10   22 o   10.879   2.9841   19.265   8.9818   3.2647   12.874   34.437   12.537   7.6569   3.3360   14.365   3.3164 -6.708467 4.703931 
1 1 1   32   10   23 o   8.8203   3.1730   12.183   9.5881   5.9117   13.322   18.924   13.811   8.0678   3.4529   10.414   3.7990 -2.346639 5.133735 
1 1 1   32   10   24 o   12.557   2.8393   25.545   9.3515   42.778   14.245   12.494   12.397   15.746   3.4625   9.0065   3.5262 6.739017 4.941998 
1 1 1   32   10   25 o   17.648   2.2677   47.243   10.500   39.755   14.575   55.324   15.141   14.816   3.6795   18.134   3.2267 -3.318821 4.893893 
1 1 1   32   10   26 o   10.524   3.4639   20.040   11.342   12.687   20.264   23.394   13.687   9.3939   4.1364   11.056   3.8062 -1.662154 5.621092 
1 1 1   32   10   27 o   11.776   4.1460   29.160   16.287   37.240   26.652   24.345   20.575   11.868   4.9724   10.649   4.4073 1.219555 6.644513 
1 1 1   32   11  -20 o   9.7584   4.0075   15.061   16.838   15.061   16.838   0.0000   0.0000   9.7584   4.0075  ?   ?  0.000000 4.007506 
1 1 1   32   11  -19 o   19.110   3.8284   64.276   18.965   64.276   18.965   0.0000   0.0000   19.110   3.8284  ?   ?  0.000000 3.828364 
1 1 1   32   11  -18 o   7.7028   3.5365  -2.6267   16.678  -2.6267   16.678   0.0000   0.0000   7.7028   3.5365  ?   ?  0.000000 3.536530 
1 1 1   32   11  -17 o   25.314   2.1639   93.899   14.571   89.851   19.589   98.914   21.802   23.708   3.1545   24.595   3.3906 -0.8863621 4.631048 
1 1 1   32   11  -16 o   16.914   3.0149   45.224   13.195   63.332   18.226   25.281   19.127   19.472   3.6179   11.782   4.4388 7.690418 5.726424 
1 1 1   32   11  -15 o   28.724   1.9272  118.074   14.782  130.056   20.253  104.417   21.624   29.446   2.5870   25.678   3.2051 3.768618 4.118900 
1 1 1   32   11  -14 o   23.909   2.2001   83.219   13.970   74.944   18.478   94.259   21.343   21.725   3.2680   24.287   3.3620 -2.562223 4.688560 
1 1 1   32   11  -13 o   12.849   3.5432   27.388   12.624   32.580   16.933   20.891   18.940   13.536   4.2102   11.295   4.3761 2.241317 6.072582 
1 1 1   32   11  -12 o   7.6135   3.2816   2.6652   12.191   7.8098   16.831  -3.0124   17.682   9.2082   3.9095   8.0964   3.6884 1.111846 5.374823 
1 1 1   32   11  -11 o   10.728   3.6278   18.398   12.427  -6.3710   21.605   30.644   15.191   8.5551   3.9625   13.414   3.9501 -4.859249 5.595104 
1 1 1   32   11  -10 o   11.650   3.4500   21.895   11.560   20.860   26.919   22.129   12.800   11.887   4.9897   11.642   3.6670 0.2458172 6.192260 
1 1 1   32   11   -9 f   33.572   1.5802  156.421   14.249  161.200   31.746  155.216   15.946   31.604   3.8173   33.247   1.7922 -1.643822 4.217103 
1 1 1   32   11   -8 o   28.269   1.3622  109.918   10.343  103.269   14.720  116.401   14.536   26.937   2.0499   28.723   1.8948 -1.785259 2.791485 
1 1 1   32   11   -7 o   13.089   2.2252   24.999   7.5426   30.753   10.533   18.943   10.806   14.217   2.8574   10.973   3.3551 3.243938 4.407024 
1 1 1   32   11   -6 o   7.2572   2.8201   5.7611   7.8834   19.246   11.666  -5.5704   10.694   11.050   3.5030   6.1446   2.8251 4.905319 4.500275 
1 1 1   32   11   -5 o   5.3616   2.4461  -3.8606   7.8123   9.0248   12.141 -12.9660   10.206   8.8114   3.4773   5.2001   2.4997 3.611275 4.282473 
1 1 1   32   11   -4 o   5.0275   2.3377  -5.7230   7.6312  -0.0336   10.716 -11.5782   10.871   6.9200   3.0284   5.5602   2.6473 1.359729 4.022353 
1 1 1   32   11   -3 o   11.879   2.6616   21.242   8.2812   19.589   11.118   23.302   12.411   11.177   3.4002   12.078   3.5743 -0.9011116 4.933270 
1 1 1   32   11   -2 o   34.676   1.0151  163.472   9.4546  170.598   13.534  156.680   13.213   35.213   1.4310   33.730   1.4585 1.482578 2.043235 
1 1 1   32   11   -1 o   17.925   1.6787   44.943   7.9881   42.408   11.389   47.397   11.207   16.964   2.5809   18.072   2.3656 -1.108019 3.501013 
1 1 1   32   11    0 o   29.100   1.1820  115.615   9.2388  116.071   13.646  115.230   12.554   28.818   1.7716   28.799   1.6296 0.1839447E-01 2.407098 
1 1 1   32   11    1 o   6.6207   2.7206   3.0926   7.7666  -5.4169   10.035   15.805   12.265   5.9615   2.7393   10.277   3.5993 -4.315235 4.523136 
1 1 1   32   11    2 o   27.869   1.1650  106.001   8.7210  108.242   12.162  103.630   12.512   27.907   1.6297   27.253   1.7180 0.6538200 2.368005 
1 1 1   32   11    3 o   23.786   1.3818   77.969   8.7901   77.728   12.314   78.219   12.551   23.443   1.9741   23.497   2.0081 -0.5396652E-01 2.815916 
1 1 1   32   11    4 o   24.298   1.3214   81.192   8.5911   81.598   11.681   80.714   12.679   24.110   1.8172   23.873   1.9957 0.2368259 2.699063 
1 1 1   32   11    5 o   17.765   1.7949   44.449   8.4466   49.418   11.869   39.351   12.023   18.381   2.4664   16.139   2.8791 2.242332 3.791067 
1 1 1   32   11    6 o   7.6347   2.8691   7.1758   7.9815   19.618   11.586  -4.0635   11.011   11.146   3.4851   6.4323   2.9227 4.713320 4.548465 
1 1 1   32   11    7 o   7.9070   2.8718   8.2971   7.8796   14.931   10.815   0.7920   11.503   9.9362   3.3843   7.2407   3.1540 2.695554 4.626160 
1 1 1   32   11    8 o   12.706   2.3700   23.859   7.7906   27.626   10.441   19.127   11.701   13.376   2.9824   10.986   3.5109 2.389907 4.606643 
1 1 1   32   11    9 f   11.526   2.7561   20.326   8.4167   22.974   11.990   17.753   11.818   11.927   3.5085   10.624   3.5377 1.303167 4.982450 
1 1 1   32   11   10 o   9.5219   2.9896   13.874   8.5153   2.6593   10.975   30.835   13.497   7.3613   3.1419   13.712   3.6139 -6.350436 4.788725 
1 1 1   32   11   11 o   12.634   2.6117   24.182   8.5695   24.214   12.379   24.152   11.875   12.151   3.5623   12.182   3.4647 -0.3043747E-01 4.969287 
1 1 1   32   11   12 o   15.976   2.2618   37.404   9.4341   45.070   14.368   31.594   12.508   16.837   3.2952   13.978   3.3708 2.859580 4.713861 
1 1 1   32   11   13 o   14.414   2.6679   31.623   9.9487   29.678   15.978   32.855   12.714   13.012   4.0967   14.217   3.3792 -1.205388 5.310552 
1 1 1   32   11   14 o   9.9729   2.9446   15.654   8.4315   8.5909   11.881   22.819   11.967   8.5011   3.4118   11.714   3.5197 -3.212767 4.901867 
1 1 1   32   11   15 o   34.003   1.1522  158.701   10.523  166.129   14.584  150.634   15.198   34.467   1.5753   32.639   1.7399 1.827492 2.347128 
1 1 1   32   11   16 o   14.574   2.4411   32.053   9.2172   31.352   13.320   32.697   12.767   13.569   3.5968   14.009   3.4223 -0.4403677 4.964770 
1 1 1   32   11   17 o   16.141   2.2360   38.681   9.4337   48.628   13.354   28.772   13.328   17.568   2.9336   12.864   3.6747 4.703950 4.702053 
1 1 1   32   11   18 o   5.0058   2.3902  -9.4104   8.9946  -1.5653   14.456 -14.3661   11.490   7.3729   3.3496   5.3691   2.5984 2.003796 4.239319 
1 1 1   32   11   19 o   12.332   2.7395   24.158   8.8381   12.424   13.195   33.706   11.902   9.1427   3.6196   14.261   3.1875 -5.118299 4.823092 
1 1 1   32   11   20 o   6.9468   2.8453   4.9104   8.4603   2.6233   13.015   6.5840   11.133   7.5073   3.3099   7.7785   3.2325 -0.2711706 4.626485 
1 1 1   32   11   21 o   14.148   2.4959   31.157   9.1375   34.940   15.053   28.949   11.498   13.631   3.9090   12.964   3.2951 0.6660709 5.112479 
1 1 1   32   11   22 o   21.264   1.8334   65.907   10.369   86.803   14.499   44.029   14.835   23.922   2.2843   15.679   3.5989 8.242389 4.262627 
1 1 1   32   11   23 o   6.5387   2.9197   0.5284   10.456   12.078   15.547  -9.0087   14.128   8.9648   3.7790   6.3572   3.0243 2.607613 4.840187 
1 1 1   32   11   24 o   8.2242   3.3386   10.039   11.518   2.9504   16.000   17.665   16.595   7.7870   3.5325   9.7263   3.9845 -1.939270 5.324927 
1 1 1   32   12  -19 o   12.449   5.1579   41.960   28.223   41.960   28.223   0.0000   0.0000   12.449   5.1579  ?   ?  0.000000 5.157896 
1 1 1   32   12  -18 o   8.4690   3.7578   6.5353   17.040   6.5353   17.040   0.0000   0.0000   8.4690   3.7578  ?   ?  0.000000 3.757796 
1 1 1   32   12  -17 o   20.807   3.2795   72.893   17.721   72.893   17.721   0.0000   0.0000   20.807   3.2795  ?   ?  0.000000 3.279516 
1 1 1   32   12  -16 o   6.9952   3.2905  -7.2066   15.860  -7.2066   15.860   0.0000   0.0000   6.9952   3.2905  ?   ?  0.000000 3.290492 
1 1 1   32   12  -15 o   18.540   2.7049   53.800   13.073   62.446   18.176   44.531   18.818   18.884   3.7158   15.003   4.3903 3.881163 5.751701 
1 1 1   32   12  -14 o   18.161   2.7895   51.830   13.172   50.513   17.846   53.406   19.522   16.617   4.0382   16.753   4.3128 -0.1361847 5.908202 
1 1 1   32   12  -13 o   12.207   3.5925   26.013   12.568   10.292   16.460   47.992   19.462   9.1734   3.8788   15.770   4.4182 -6.596959 5.879252 
1 1 1   32   12  -12 o   6.1508   2.8879  -7.8463   12.121 -15.0121   15.611   3.0315   19.234   6.4295   3.0909   8.7151   3.9206 -2.285569 4.992417 
1 1 1   32   12  -11 o   5.7777   2.7760 -13.4444   12.554  -9.7308   16.468 -18.5979   19.399   7.0626   3.3315   7.0331   3.3971 0.2948856E-01 4.758068 
1 1 1   32   12  -10 o   10.119   4.2953   13.568   20.311   16.220   24.081   7.0300   37.809   10.704   4.6129   10.903   5.1131 -0.1984138 6.886398 
1 1 1   32   12   -9 o   11.923   3.9817   25.060   14.968   18.720   23.738   29.245   19.284   11.021   4.6589   12.491   4.4992 -1.469783 6.476749 
1 1 1   32   12   -8 o   6.6034   3.1400 -12.3829   15.194 -17.3000   24.894  -9.4636   19.181   8.1748   3.9228   7.7077   3.6234 0.4670963 5.340146 
1 1 1   32   12   -7 o   11.044   4.1469   20.391   16.667   33.570   24.806   9.5440   22.504   13.053   5.0220   9.9953   4.3811 3.058217 6.664408 
1 1 1   32   12   -6 o   23.654   1.8643   79.722   11.749   81.872   13.837   74.170   22.239   23.714   2.1974   20.669   4.1501 3.044918 4.696002 
1 1 1   32   12   -5 o   18.362   1.9624   48.455   9.5283   75.751   12.475   10.234   14.762   22.933   2.0468   9.2100   3.7638 13.72280 4.284347 
1 1 1   32   12   -4 o   16.708   2.1483   40.673   9.4173   40.048   11.730   41.806   15.796   16.156   2.8047   15.735   3.7840 0.4210291 4.710100 
1 1 1   32   12   -3 o   10.988   2.7154   18.677   7.9680   25.240   11.540   12.696   11.015   12.431   3.3711   9.2764   3.3915 3.154472 4.781902 
1 1 1   32   12   -2 o   11.253   2.7352   19.594   8.1864   16.385   11.778   22.592   11.387   10.181   3.5292   11.754   3.4082 -1.572607 4.906260 
1 1 1   32   12   -1 o   5.6070   2.5347  -2.7421   8.1537   12.450   12.717 -13.3461   10.625   9.3970   3.6004   5.2573   2.5330 4.139718 4.402158 
1 1 1   32   12    0 o   25.347   1.4459   89.277   9.8030  102.131   13.426   74.599   14.347   26.816   1.8759   22.504   2.4111 4.312155 3.054922 
1 1 1   32   12    1 o   23.901   1.3834   79.186   8.8427   94.059   12.939   66.151   12.113   25.722   1.8860   21.381   2.1379 4.341013 2.850939 
1 1 1   32   12    2 o   23.692   1.4900   78.204   9.4332   87.029   14.496   71.721   12.424   24.467   2.2303   22.293   2.0996 2.173618 3.063082 
1 1 1   32   12    3 o   9.2561   2.8624   13.202   7.8400   5.5082   10.934   21.342   11.247   7.7850   3.2167   11.429   3.4073 -3.643667 4.685794 
1 1 1   32   12    4 o   6.1890   2.6643   1.0089   8.0157   26.610   11.431 -23.7594   11.243   12.800   3.3028   4.6966   2.3309 8.103546 4.042499 
1 1 1   32   12    5 o   16.577   1.9432   39.522   8.4876   46.047   12.317   33.621   11.712   17.391   2.7265   14.571   3.0886 2.820618 4.119882 
1 1 1   32   12    6 o   6.6508   2.7645   3.2026   8.1455  -8.2713   11.677   14.077   11.368   6.0537   2.8398   9.5833   3.4542 -3.529636 4.471701 
1 1 1   32   12    7 o   10.203   3.0454   16.572   8.9812   7.1274   13.532   24.007   12.007   8.4963   3.5501   11.989   3.5065 -3.492839 4.989848 
1 1 1   32   12    8 o   14.088   2.7094   30.592   9.8800   11.166   17.322   39.960   12.028   9.5902   4.0126   16.003   2.9055 -6.412650 4.954082 
1 1 1   32   12    9 o   15.269   2.3214   34.734   9.2205   34.423   12.192   35.148   14.093   14.584   3.2003   14.374   3.6451 0.2105732 4.850688 
1 1 1   32   12   10 o   20.110   1.6815   57.345   8.9995   40.880   13.082   72.138   12.400   15.927   3.1696   22.255   2.0992 -6.327791 3.801764 
1 1 1   32   12   11 o   14.033   2.4811   29.974   9.0095   31.954   13.532   28.397   12.075   13.619   3.6325   12.989   3.4156 0.6302433 4.986100 
1 1 1   32   12   12 o   7.7259   3.0457   7.4023   9.3052   4.1214   14.511   9.6938   12.127   8.0977   3.5344   8.6027   3.4489 -0.5049906 4.938307 
1 1 1   32   12   13 o   8.0917   3.0559   9.2422   9.0790   9.1253   14.757   9.3135   11.517   8.8052   3.6951   8.4189   3.3660 0.3862143 4.998363 
1 1 1   32   12   14 o   7.9706   3.1200   8.4755   9.7031  -5.1420   14.910   18.479   12.779   7.0543   3.2760   10.350   3.6695 -3.295300 4.919075 
1 1 1   32   12   15 o   11.974   3.0194   23.679   9.7084   21.005   14.903   25.651   12.796   10.764   3.9434   11.969   3.6493 -1.205533 5.372831 
1 1 1   32   12   16 o   5.8060   2.6574  -3.1085   9.3177  -7.8027   12.717   2.3327   13.691   6.2257   2.9340   7.5689   3.3629 -1.343119 4.462895 
1 1 1   32   12   17 o   8.9940   3.2965   13.216   10.416   20.361   13.108   0.9724   17.159   10.567   3.7196   7.9488   3.6260 2.618038 5.194541 
1 1 1   32   12   18 o   13.112   2.9049   28.411   9.9613   38.989   13.517   15.837   14.737   14.865   3.4516   9.5928   3.8166 5.272353 5.145895 
1 1 1   32   12   19 o   7.1240   2.9678   5.4065   9.4170   17.623   12.575 -10.1932   14.210   9.8530   3.6204   6.2775   2.9992 3.575545 4.701333 
1 1 1   32   12   20 o   5.1819   2.5038 -11.6692   10.561   26.115   15.405 -45.1758   14.507   11.286   4.0259   4.4837   2.2778 6.802159 4.625618 
1 1 1   32   12   21 o   6.7714   3.0001   2.1403   10.821   11.217   14.662  -8.7200   16.038   8.6138   3.6525   6.6816   3.1907 1.932134 4.849885 
1 1 1   32   13  -17 o   8.3381   3.9726  -0.5984   24.568  -0.5984   24.568   0.0000   0.0000   8.3381   3.9726  ?   ?  0.000000 3.972627 
1 1 1   32   13  -16 o   8.2585   3.7058   6.4913   17.065   6.4913   17.065   0.0000   0.0000   8.2585   3.7058  ?   ?  0.000000 3.705785 
1 1 1   32   13  -15 o   8.4273   3.9333   2.0470   21.931   2.0470   21.931   0.0000   0.0000   8.4273   3.9333  ?   ?  0.000000 3.933315 
1 1 1   32   13  -14 o   10.707   4.1774   23.311   17.352   23.311   17.352   0.0000   0.0000   10.707   4.1774  ?   ?  0.000000 4.177446 
1 1 1   32   13  -13 o   13.483   3.4215   32.361   12.411   49.049   17.274   14.554   17.843   15.947   4.0309   9.4880   4.0266 6.459316 5.697529 
1 1 1   32   13  -12 o   14.995   3.4192   39.386   13.465   38.037   17.516   41.333   21.053   13.621   4.2895   13.539   4.7171 0.8186150E-01 6.375836 
1 1 1   32   13  -11 o   8.7194   3.6607   10.158   14.494   14.597   17.571   0.7074   25.638   9.5971   4.0300   8.9513   4.2019 0.6457109 5.822107 
1 1 1   32   13  -10 o   7.6611   3.3021   4.8874   12.344   8.4941   15.642  -1.0657   20.096   8.6453   3.7218   8.2185   3.8119 0.4267349 5.327529 
1 1 1   32   13   -9 o   13.453   3.5370   31.967   12.949   32.195   17.108   31.661   19.815   12.721   4.2568   12.302   4.5408 0.4185705 6.224065 
1 1 1   32   13   -8 o   6.9488   3.2270  -4.8023   14.468  -8.5410   21.456  -1.6848   19.592   7.9083   3.7519   8.1599   3.7774 -0.2515702 5.324042 
1 1 1   32   13   -7 o   7.1329   3.1924   0.3385   12.577  -6.0568   16.046   10.529   20.255   7.1778   3.3550   9.4717   4.1538 -2.293882 5.339488 
1 1 1   32   13   -6 o   7.0407   3.2729  -5.2331   14.942   23.550   21.757 -30.9285   20.557   11.164   4.5667   6.4936   3.2101 4.670610 5.582038 
1 1 1   32   13   -5 o   9.0014   3.5715   11.810   12.873   1.0395   16.519   28.462   20.541   8.0001   3.6129   11.931   4.5747 -3.931265 5.829323 
1 1 1   32   13   -4 o   16.264   3.1748   43.371   13.371   57.531   16.919   19.813   21.822   18.384   3.5550   10.748   4.5010 7.635757 5.735594 
1 1 1   32   13   -3 o   15.436   3.1694   39.087   12.700   31.748   13.425  101.600   39.182   13.461   3.6300   19.087   6.4419 -5.626245 7.394261 
1 1 1   32   13   -2 o   9.2362   3.4067   13.435   11.150   3.0224   13.817   32.873   18.878   7.7871   3.4225   12.883   4.4681 -5.096287 5.628249 
1 1 1   32   13   -1 o   9.4377   3.3039   14.391   10.334   13.392   11.601   18.229   22.739   9.2574   3.4629   10.642   4.5319 -1.384953 5.703470 
1 1 1   32   13    0 f   8.0847   3.0562   9.2118   9.0867   9.6895   11.721   8.4920   14.386   8.5157   3.3987   8.6609   3.6422 -0.1452045 4.981692 
1 1 1   32   13    1 o   10.796   3.1747   19.378   9.8184   4.6759   13.337   36.774   14.507   7.9328   3.4257   14.462   3.7152 -6.528805 5.053532 
1 1 1   32   13    2 o   34.067   1.2747  160.805   11.664  188.572   15.545  125.033   17.644   36.589   1.5818   29.009   2.2830 7.579771 2.777422 
1 1 1   32   13    3 o   11.981   2.9492   23.301   9.4266   17.813   12.096   31.790   15.044   10.242   3.5750   13.171   3.9438 -2.928854 5.323025 
1 1 1   32   13    4 o   28.129   1.4369  110.866   10.820  121.326   14.258   96.666   16.613   29.052   1.8367   25.251   2.4815 3.801407 3.087276 
1 1 1   32   13    5 o   8.4647   3.1025   10.816   9.2267   6.9429   12.030   16.349   14.379   8.0331   3.3511   9.9346   3.8231 -1.901472 5.083892 
1 1 1   32   13    6 o   8.4757   3.1859   10.695   9.8423   15.302   13.459   5.4002   14.429   9.6814   3.7052   8.1672   3.5451 1.514133 5.128008 
1 1 1   32   13    7 o   5.2142   2.4664  -7.6659   9.1392   3.8790   12.185 -22.5136   13.818   7.5439   3.2661   5.4237   2.6718 2.120156 4.219700 
1 1 1   32   13    8 o   5.4589   2.5815  -7.9335   10.001  -4.0948   13.767 -12.2237   14.554   6.8669   3.1744   6.3109   3.0207 0.5560150 4.381952 
1 1 1   32   13    9 o   22.620   1.8755   74.343   11.292   70.469   16.277   77.936   15.678   20.882   2.9871   22.343   2.6651 -1.460629 4.003185 
1 1 1   32   13   10 o   6.3330   2.8298  -0.3453   9.8399  -5.4201   13.674   5.1048   14.171   6.6737   3.1118   7.9914   3.4903 -1.317675 4.676066 
1 1 1   32   13   11 o   6.7950   2.9393   2.7035   9.8508   15.225   12.382 -18.8871   16.259   9.4775   3.5712   6.1795   3.0134 3.298017 4.672719 
1 1 1   32   13   12 o   18.491   2.0933   51.100   10.214   54.213   13.677   47.175   15.357   18.282   2.8807   16.234   3.6148 2.047407 4.622243 
1 1 1   32   13   13 o   8.8623   3.1859   13.044   9.6644   14.315   12.850   11.389   14.665   9.2221   3.5957   8.8319   3.6934 0.3901634 5.154676 
1 1 1   32   13   14 o   12.972   3.1303   28.982   10.782   24.372   15.210   33.637   15.285   11.046   3.9933   12.998   3.9930 -1.951715 5.647193 
1 1 1   32   13   15 o   5.8522   2.7604  -6.7053   11.302   26.723   18.491 -26.6419   14.280   11.098   4.3174   5.1995   2.5882 5.898977 5.033727 
1 1 1   32   13   16 o   13.938   3.4421   35.463   12.810   39.060   15.715   28.340   22.113   13.902   3.9960   10.980   4.5588 2.921871 6.062211 
1 1 1   32   13   17 o   5.7705   2.6794  -3.7285   9.9684  -7.8274   12.588   3.1644   16.324   6.0093   2.8576   7.7556   3.5374 -1.746276 4.547426 
1 1 1   32   13   18 o   8.4299   3.3379   11.970   11.222  -1.3272   15.238   27.728   16.588   7.0949   3.3004   11.132   4.1454 -4.036755 5.298808 
1 1 1   32   14  -14 o   7.8925   3.5507   6.5784   15.780   6.5784   15.780   0.0000   0.0000   7.8925   3.5507  ?   ?  0.000000 3.550722 
1 1 1   32   14  -13 o   12.297   4.1973   34.362   16.636   34.362   16.636   0.0000   0.0000   12.297   4.1973  ?   ?  0.000000 4.197266 
1 1 1   32   14  -12 o   12.695   3.6256   31.459   12.976   34.395   16.149   26.110   21.797   12.516   4.1339   10.454   4.4440 2.061954 6.069486 
1 1 1   32   14  -11 o   14.706   3.3135   38.977   12.774   26.501   17.803   52.217   18.340   10.860   4.2329   15.687   4.2482 -4.827305 5.997026 
1 1 1   32   14  -10 o   6.4159   2.9965  -4.0756   12.762 -14.6229   16.970   9.6560   19.363   6.4251   3.1208   8.7402   3.9325 -2.315061 5.020391 
1 1 1   32   14   -9 o   6.2185   2.9033  -4.4388   11.964  -4.0200   15.698  -5.0192   18.481   7.0157   3.2916   7.3813   3.4961 -0.3655720 4.801850 
1 1 1   32   14   -8 o   7.0073   3.2373  -1.6935   14.284  -4.7653   16.199   9.0430   30.286   7.0619   3.3230   9.4491   4.4756 -2.387164 5.574319 
1 1 1   32   14   -7 o   8.8874   3.5838   13.027   13.178   19.137   17.465   4.9492   20.081   9.9612   4.0850   8.4756   3.8874 1.485677 5.639032 
1 1 1   32   14   -6 o   5.0855   2.5390 -28.5116   14.173 -30.2200   20.243 -26.8689   19.849   6.2735   3.1160   6.3573   3.1449 -0.8377028E-01 4.427135 
1 1 1   32   14   -5 o   9.8362   3.7043   17.809   13.319   5.3239   17.052   37.339   21.328   8.2318   3.6984   12.558   4.6958 -4.326706 5.977371 
1 1 1   32   14   -4 o   6.3142   3.0507 -13.8431   15.674   14.140   25.026 -31.9039   20.105   9.7259   4.4143   6.1967   3.0824 3.529267 5.383926 
1 1 1   32   14   -3 o   6.3268   2.9674  -5.8564   12.739 -13.1066   16.381   5.2382   20.263   6.5199   3.1423   8.6119   3.9331 -2.091998 5.034181 
1 1 1   32   14   -2 o   11.362   3.7161   24.501   13.061   16.822   16.922   35.817   20.543   9.7347   4.0099   12.515   4.6225 -2.780175 6.119434 
1 1 1   32   14   -1 o   7.5939   3.4267   2.0186   14.826   1.5457   16.950   3.5590   30.592   7.8683   3.5949   9.3580   4.4514 -1.489666 5.721736 
1 1 1   32   14    0 o   7.1755   3.1528   3.0270   11.717   11.428   12.981 -33.9300   27.226   8.6856   3.5372   7.2441   3.6007 1.441429 5.047454 
1 1 1   32   14    1 o   9.5995   3.3951   16.194   10.933   17.124   11.990   11.610   26.631   9.7784   3.5438   9.6511   4.4450 0.1272726 5.684790 
1 1 1   32   14    2 o   6.1305   2.7465  -0.3555   9.3332  -8.4623   11.717   13.716   15.437   5.8239   2.7658   9.2110   3.8153 -3.387058 4.712373 
1 1 1   32   14    3 o   12.632   2.8356   26.387   9.3848   31.422   12.351   19.507   14.436   13.214   3.4446   10.173   3.8506 3.041483 5.166515 
1 1 1   32   14    4 o   12.161   2.8814   24.701   9.2671   38.879   12.292   6.0284   14.106   15.103   3.1329   7.9580   3.4788 7.144603 4.681621 
1 1 1   32   14    5 o   12.045   3.0944   25.042   10.064   39.888   14.340   10.632   14.128   14.685   3.6512   8.6050   3.6135 6.079840 5.136993 
1 1 1   32   14    6 o   10.850   3.1975   20.814   9.9505   16.295   12.107   30.219   17.467   9.5276   3.5428   11.840   4.2795 -2.312512 5.555662 
1 1 1   32   14    7 o   6.9666   2.9257   4.9508   9.2629   14.017   12.061  -8.0839   14.462   9.0316   3.4942   6.4652   3.0711 2.566361 4.651980 
1 1 1   32   14    8 o   6.5337   2.8398   2.5890   9.2836  -2.1056   12.396   8.5852   14.010   6.5868   3.0333   8.2180   3.5297 -1.631227 4.654021 
1 1 1   32   14    9 o   9.9164   3.4220   18.151   11.067   4.9152   17.516   26.945   14.277   8.1311   3.6914   11.520   3.8886 -3.388903 5.361704 
1 1 1   32   14   10 o   15.531   2.7964   40.002   11.236   65.762   15.248   9.3891   16.622   19.757   2.9649   8.4969   3.7436 11.25997 4.775441 
1 1 1   32   14   11 o   8.3062   3.1254   11.534   9.4766   25.883   12.715  -6.3946   14.213   11.456   3.6598   6.4760   3.0670 4.979820 4.774988 
1 1 1   32   14   12 o   6.4867   2.8568   2.2564   9.6704   1.7748   13.031   2.8467   14.427   7.0599   3.1967   7.4017   3.3564 -0.3417959 4.635115 
1 1 1   32   14   13 o   14.173   2.6878   33.419   9.8572   39.656   13.531   26.366   14.389   14.460   3.5176   11.115   3.8981 3.344988 5.250645 
1 1 1   32   14   14 o   9.3094   3.3064   16.318   10.380   24.836   15.234   8.9372   14.181   10.601   3.9677   8.0349   3.5009 2.565999 5.291395 
1 1 1   32   15   -7 o   8.4005   3.4254   12.564   12.193   21.632   16.617   1.9891   17.945   9.7997   3.9977   7.5868   3.5467 2.212947 5.344253 
1 1 1   32   15   -6 f   8.3333   3.4328   11.996   12.402   8.8809   16.339   16.231   19.050   8.1427   3.6419   9.0870   4.0054 -0.9442329 5.413599 
1 1 1   32   15   -5 o   6.3293   3.0034  -5.8040   13.763 -10.4300   20.101  -1.7217   18.883   7.0186   3.4062   7.4454   3.5287 -0.4267874 4.904447 
1 1 1   32   15   -4 o   10.700   3.7181   23.871   13.076   10.172   17.295   42.150   19.977   8.4004   3.7528   12.779   4.5819 -4.378590 5.922586 
1 1 1   32   15   -3 o   9.0057   3.5656   15.397   12.804   15.551   16.984   15.193   19.490   9.0520   3.8871   9.0636   4.0204 -0.1161480E-01 5.592209 
1 1 1   32   15   -2 o   9.2740   3.8530   17.091   15.811   50.080   27.022  -0.0829   19.497   12.487   5.0964   7.6833   3.6245 4.803716 6.253867 
1 1 1   32   15   -1 o   6.1821   2.9252  -5.7443   12.875  -6.3509   17.394  -5.0091   19.149   6.9426   3.3174   7.2857   3.4812 -0.3431311 4.808722 
1 1 1   32   15    0 o   10.508   3.9498   24.126   15.129   23.770   17.683   25.100   29.224   10.216   4.1402   9.9958   4.6223 0.2200804 6.205401 
1 1 1   32   15    1 o   22.044   2.9281   83.111   16.908   85.302   19.990   77.600   31.698   21.180   3.6454   14.743   5.6756 6.436258 6.745468 
1 1 1   32   15    2 o   18.878   3.2603   64.119   15.933   84.913   19.324   19.960   28.161   21.386   3.4841   9.6191   4.4787 11.76711 5.674269 
1 1 1   32   15    3 o   5.7527   2.7733 -10.4241   12.782  -3.5982   14.698 -31.6000   25.888   6.7170   3.1621   6.8247   3.4109 -0.1077209 4.651122 
1 1 1   32   15    4 o   6.0261   2.8105  -3.3779   11.164  -8.9920   13.887   6.8787   18.770   6.0993   2.9276   8.1738   3.7524 -2.074475 4.759359 
1 1 1   32   15    5 o   16.169   2.5289   42.745   10.623   45.475   12.742   36.522   19.236   16.037   3.0698   11.942   4.4607 4.094944 5.414991 
1 1 1   32   15    6 f   4.5669   2.2278 -11.7756   8.9086 -12.3772   11.831 -10.9880   13.537   5.3490   2.5999   5.8506   2.8288 -0.5016170 3.842076 
1 1 1   32   15    7 o   7.4114   3.0860   7.8296   10.175   22.208   14.809  -5.0293   14.005   10.038   3.8751   6.4124   3.0390 3.625911 4.924658 
1 1 1   33    0  -32 o   37.388   2.3433  194.243   23.320  194.243   23.320  194.243   23.320   37.388   2.3433   37.388   2.3433 0.000000 0.000000 
1 1 1   33    0  -31 o   11.100   5.2638   26.529   17.838   26.529   17.838   26.529   17.838   11.100   5.2638   11.100   5.2638 0.000000 0.000000 
1 1 1   33    0  -30 o   26.999   2.7770  103.489   19.650  103.489   19.650  103.489   19.650   26.999   2.7770   26.999   2.7770 0.000000 0.000000 
1 1 1   33    0  -29 o   5.2668   3.4366  -0.5586   11.875  -0.5586   11.875  -0.5586   11.875   5.2668   3.4366   5.2668   3.4366 0.000000 0.000000 
1 1 1   33    0  -28 o   18.211   2.9747   48.969   13.384   48.969   13.384   48.969   13.384   18.211   2.9747   18.211   2.9747 0.000000 0.000000 
1 1 1   33    0  -27 o   41.414   1.5797  232.999   17.513  232.999   17.513  232.999   17.513   41.414   1.5797   41.414   1.5797 0.000000 0.000000 
1 1 1   33    0  -26 o   32.163   1.7342  141.290   14.882  141.290   14.882  141.290   14.882   32.163   1.7342   32.163   1.7342 0.000000 0.000000 
1 1 1   33    0  -25 o   39.945   1.5683  216.707   16.768  216.707   16.768  216.707   16.768   39.945   1.5683   39.945   1.5683 0.000000 0.000000 
1 1 1   33    0  -24 o   38.431   1.5962  200.724   16.412  200.724   16.412  200.724   16.412   38.431   1.5962   38.431   1.5962 0.000000 0.000000 
1 1 1   33    0  -23 o   8.8623   4.9158   15.831   17.221   15.831   17.221   15.831   17.221   8.8623   4.9158   8.8623   4.9158 0.000000 0.000000 
1 1 1   33    0  -22 o   3.2595   2.3604 -21.5152   11.030 -21.5152   11.030 -21.5152   11.030   3.2595   2.3604   3.2595   2.3604 0.000000 0.000000 
1 1 1   33    0  -21 o   71.117   1.4803  683.852   28.247  683.852   28.247  683.852   28.247   71.117   1.4803   71.117   1.4803 0.000000 0.000000 
1 1 1   33    0  -20 o   10.359   4.2837   20.865   11.836   20.865   11.836   20.865   11.836   10.359   4.2837   10.359   4.2837 0.000000 0.000000 
1 1 1   33    0  -19 o   40.583   2.1080  225.281   22.836  225.281   22.836  225.281   22.836   40.583   2.1080   40.583   2.1080 0.000000 0.000000 
1 1 1   33    0  -18 o   7.5478   4.7779   4.4940   20.837   4.4940   20.837   4.4940   20.837   7.5478   4.7779   7.5478   4.7779 0.000000 0.000000 
1 1 1   33    0  -17 o   40.403   1.5456  221.345   16.717  221.345   16.717  221.345   16.717   40.403   1.5456   40.403   1.5456 0.000000 0.000000 
1 1 1   33    0  -16 o   28.640   1.8286  112.269   13.935  112.269   13.935  112.269   13.935   28.640   1.8286   28.640   1.8286 0.000000 0.000000 
1 1 1   33    0  -15 o   24.659   2.3826   84.840   15.442   84.840   15.442   84.840   15.442   24.659   2.3826   24.659   2.3826 0.000000 0.000000 
1 1 1   33    0  -14 o   5.8324   3.6152   3.5280   11.283   3.5280   11.283   3.5280   11.283   5.8324   3.6152   5.8324   3.6152 0.000000 0.000000 
1 1 1   33    0  -13 o   5.9118   3.6165   4.2909   10.949   4.2909   10.949   4.2909   10.949   5.9118   3.6165   5.9118   3.6165 0.000000 0.000000 
1 1 1   33    0  -12 o   48.601   1.4212  319.203   18.516  319.203   18.516  319.203   18.516   48.601   1.4212   48.601   1.4212 0.000000 0.000000 
1 1 1   33    0  -11 o   12.941   3.7743   27.962   11.391   27.962   11.391   27.962   11.391   12.941   3.7743   12.941   3.7743 0.000000 0.000000 
1 1 1   33    0  -10 o   26.870   1.2346   97.827   8.8672   97.827   8.8672   97.827   8.8672   26.870   1.2346   26.870   1.2346 0.000000 0.000000 
1 1 1   33    0   -9 o   13.148   2.3924   25.581   7.6203   25.581   7.6203   25.581   7.6203   13.148   2.3924   13.148   2.3924 0.000000 0.000000 
1 1 1   33    0   -8 o   59.124   1.1039  470.894   17.516  470.894   17.516  470.894   17.516   59.124   1.1039   59.124   1.1039 0.000000 0.000000 
1 1 1   33    0   -7 o   51.310   1.2034  354.989   16.564  354.989   16.564  354.989   16.564   51.310   1.2034   51.310   1.2034 0.000000 0.000000 
1 1 1   33    0   -6 o   18.546   1.9487   47.971   9.4616   47.971   9.4616   47.971   9.4616   18.546   1.9487   18.546   1.9487 0.000000 0.000000 
1 1 1   33    0   -5 o   19.986   2.0971   55.754   10.974   55.754   10.974   55.754   10.974   19.986   2.0971   19.986   2.0971 0.000000 0.000000 
1 1 1   33    0   -4 o   9.0530   3.8515   15.887   9.5183   15.887   9.5183   15.887   9.5183   9.0530   3.8515   9.0530   3.8515 0.000000 0.000000 
1 1 1   33    0   -3 o   5.7035   3.5860   2.4065   11.517   2.4065   11.517   2.4065   11.517   5.7035   3.5860   5.7035   3.5860 0.000000 0.000000 
1 1 1   33    0   -2 o   10.158   3.5247   18.301   8.6795   18.301   8.6795   18.301   8.6795   10.158   3.5247   10.158   3.5247 0.000000 0.000000 
1 1 1   33    0   -1 o   56.969   1.1206  437.207   17.131  437.207   17.131  437.207   17.131   56.969   1.1206   56.969   1.1206 0.000000 0.000000 
1 1 1   33    0    0 o   10.255   3.5720   18.686   8.8931   18.686   8.8931   18.686   8.8931   10.255   3.5720   10.255   3.5720 0.000000 0.000000 
1 1 1   33    0    1 o   21.119   1.8021   61.490   10.051   61.490   10.051   61.490   10.051   21.119   1.8021   21.119   1.8021 0.000000 0.000000 
1 1 1   33    0    2 o   35.266   1.2608  168.074   11.908  168.074   11.908  168.074   11.908   35.266   1.2608   35.266   1.2608 0.000000 0.000000 
1 1 1   33    0    3 o   11.272   3.4259   21.421   9.0549   21.421   9.0549   21.421   9.0549   11.272   3.4259   11.272   3.4259 0.000000 0.000000 
1 1 1   33    0    4 o   4.5790   2.9653  -0.2401   8.6133  -0.2401   8.6133  -0.2401   8.6133   4.5790   2.9653   4.5790   2.9653 0.000000 0.000000 
1 1 1   33    0    5 o   5.4568   3.3165   3.8093   9.0724   3.8093   9.0724   3.8093   9.0724   5.4568   3.3165   5.4568   3.3165 0.000000 0.000000 
1 1 1   33    0    6 o   28.790   1.5481  112.702   11.892  112.702   11.892  112.702   11.892   28.790   1.5481   28.790   1.5481 0.000000 0.000000 
1 1 1   33    0    7 o   31.135   1.7223  132.000   14.302  132.000   14.302  132.000   14.302   31.135   1.7223   31.135   1.7223 0.000000 0.000000 
1 1 1   33    0    8 o   29.964   1.5050  121.941   12.043  121.941   12.043  121.941   12.043   29.964   1.5050   29.964   1.5050 0.000000 0.000000 
1 1 1   33    0    9 o   6.5921   3.6714   8.1931   9.6495   8.1931   9.6495   8.1931   9.6495   6.5921   3.6714   6.5921   3.6714 0.000000 0.000000 
1 1 1   33    0   10 o   6.8689   3.9305   8.4697   11.454   8.4697   11.454   8.4697   11.454   6.8689   3.9305   6.8689   3.9305 0.000000 0.000000 
1 1 1   33    0   11 o   25.126   1.9796   86.930   13.168   86.930   13.168   86.930   13.168   25.126   1.9796   25.126   1.9796 0.000000 0.000000 
1 1 1   33    0   12 o   5.7626   3.5337   3.9369   10.510   3.9369   10.510   3.9369   10.510   5.7626   3.5337   5.7626   3.5337 0.000000 0.000000 
1 1 1   33    0   13 o   29.407   1.5572  117.640   12.221  117.640   12.221  117.640   12.221   29.407   1.5572   29.407   1.5572 0.000000 0.000000 
1 1 1   33    0   14 o   5.9273   3.5318   5.3373   9.8866   5.3373   9.8866   5.3373   9.8866   5.9273   3.5318   5.9273   3.5318 0.000000 0.000000 
1 1 1   33    0   15 o   12.874   3.5630   27.225   10.656   27.225   10.656   27.225   10.656   12.874   3.5630   12.874   3.5630 0.000000 0.000000 
1 1 1   33    0   16 o   29.844   1.6230  121.332   12.922  121.332   12.922  121.332   12.922   29.844   1.6230   29.844   1.6230 0.000000 0.000000 
1 1 1   33    0   17 o   4.4435   2.9720  -3.2148   9.8048  -3.2148   9.8048  -3.2148   9.8048   4.4435   2.9720   4.4435   2.9720 0.000000 0.000000 
1 1 1   33    0   18 o   4.2706   2.9387  -7.6821   11.079  -7.6821   11.079  -7.6821   11.079   4.2706   2.9387   4.2706   2.9387 0.000000 0.000000 
1 1 1   33    0   19 o   20.092   2.1895   56.700   11.460   56.700   11.460   56.700   11.460   20.092   2.1895   20.092   2.1895 0.000000 0.000000 
1 1 1   33    0   20 o   4.8079   3.1646  -1.5814   10.397  -1.5814   10.397  -1.5814   10.397   4.8079   3.1646   4.8079   3.1646 0.000000 0.000000 
1 1 1   33    0   21 o   33.369   1.5242  151.341   13.596  151.341   13.596  151.341   13.596   33.369   1.5242   33.369   1.5242 0.000000 0.000000 
1 1 1   33    0   22 o   50.015   1.6415  339.361   21.998  339.361   21.998  339.361   21.998   50.015   1.6415   50.015   1.6415 0.000000 0.000000 
1 1 1   33    0   23 o   5.1201   3.3185  -0.0773   10.818  -0.0773   10.818  -0.0773   10.818   5.1201   3.3185   5.1201   3.3185 0.000000 0.000000 
1 1 1   33    0   24 o   20.721   2.7221   61.625   14.425   61.625   14.425   61.625   14.425   20.721   2.7221   20.721   2.7221 0.000000 0.000000 
1 1 1   33    0   25 o   34.987   1.5871  166.523   14.844  166.523   14.844  166.523   14.844   34.987   1.5871   34.987   1.5871 0.000000 0.000000 
1 1 1   33    0   26 o   4.7044   3.1446  -3.3342   10.947  -3.3342   10.947  -3.3342   10.947   4.7044   3.1446   4.7044   3.1446 0.000000 0.000000 
1 1 1   33    0   27 o   57.758   1.4134  451.406   21.896  451.406   21.896  451.406   21.896   57.758   1.4134   57.758   1.4134 0.000000 0.000000 
1 1 1   33    0   28 o   17.291   2.7011   43.751   11.632   43.751   11.632   43.751   11.632   17.291   2.7011   17.291   2.7011 0.000000 0.000000 
1 1 1   33    0   29 o   14.657   3.9032   35.393   13.277   35.393   13.277   35.393   13.277   14.657   3.9032   14.657   3.9032 0.000000 0.000000 
1 1 1   33    0   30 o   44.786   1.5379  272.545   18.450  272.545   18.450  272.545   18.450   44.786   1.5379   44.786   1.5379 0.000000 0.000000 
1 1 1   33    0   31 o   30.002   1.6584  123.243   13.270  123.243   13.270  123.243   13.270   30.002   1.6584   30.002   1.6584 0.000000 0.000000 
1 1 1   33    0   32 o   16.571   2.7818   40.872   11.333   40.872   11.333   40.872   11.333   16.571   2.7818   16.571   2.7818 0.000000 0.000000 
1 1 1   33    0   33 o   4.5775   3.0714  -3.2741   10.616  -3.2741   10.616  -3.2741   10.616   4.5775   3.0714   4.5775   3.0714 0.000000 0.000000 
1 1 1   33    0   34 o   3.9592   2.7550  -8.5802   10.442  -8.5802   10.442  -8.5802   10.442   3.9592   2.7550   3.9592   2.7550 0.000000 0.000000 
1 1 1   33    0   35 o   9.3500   4.7938   19.796   15.285   19.796   15.285   19.796   15.285   9.3500   4.7938   9.3500   4.7938 0.000000 0.000000 
1 1 1   33    0   36 o   32.548   1.9848  147.594   17.204  147.594   17.204  147.594   17.204   32.548   1.9848   32.548   1.9848 0.000000 0.000000 
1 1 1   33    0   37 o   4.5293   3.1447  -9.3275   13.404  -9.3275   13.404  -9.3275   13.404   4.5293   3.1447   4.5293   3.1447 0.000000 0.000000 
1 1 1   33    0   38 o   7.4259   4.2830   12.172   13.768   12.172   13.768   12.172   13.768   7.4259   4.2830   7.4259   4.2830 0.000000 0.000000 
1 1 1   33    0   39 o   19.461   2.8464   57.509   13.948   57.509   13.948   57.509   13.948   19.461   2.8464   19.461   2.8464 0.000000 0.000000 
1 1 1   33    1  -31 o   15.407   3.1063   35.788   12.410   40.817   17.096   30.185   18.045   15.967   3.9959   13.639   4.3601 2.327924 5.914158 
1 1 1   33    1  -30 o   16.929   2.8140   42.013   12.346   57.894   17.092   24.688   17.852   19.611   3.3660   12.651   4.3472 6.960212 5.498077 
1 1 1   33    1  -29 o   8.2140   3.3619   5.0732   11.800   7.8347   16.555   2.2212   16.824   9.6570   3.9707   8.9297   3.8520 0.7272921 5.532090 
1 1 1   33    1  -28 o   17.142   2.0214   41.197   9.1281   41.578   12.973   40.823   12.846   16.831   2.9787   16.675   2.9774 0.1561737 4.211582 
1 1 1   33    1  -27 o   41.836   1.1021  237.120   12.384  219.700   17.454  254.783   17.575   40.066   1.6219   43.198   1.5147 -3.132332 2.219222 
1 1 1   33    1  -26 o   15.945   2.1852   35.860   9.1120   39.847   13.139   32.165   12.648   16.466   3.0840   14.678   3.2896 1.788119 4.509143 
1 1 1   33    1  -25 o   28.909   1.3140  113.548   10.203  116.071   14.259  110.901   14.604   29.013   1.8393   28.320   1.9315 0.6938190 2.667165 
1 1 1   33    1  -24 o   39.467   1.1196  210.930   11.868  220.621   16.877  201.449   16.692   40.206   1.5629   38.397   1.6186 1.808884 2.249978 
1 1 1   33    1  -23 o   28.356   1.3222  109.230   10.070   99.817   13.919  119.566   14.585   26.865   1.9421   29.451   1.8533 -2.586168 2.684515 
1 1 1   33    1  -22 o   13.350   3.2238   26.505   11.429   36.000   17.607   19.590   15.025   15.246   4.1765   11.696   3.9889 3.550185 5.775295 
1 1 1   33    1  -21 o   42.978   1.4658  251.548   16.921  244.308   18.097  301.900   47.724   42.302   1.5927   45.007   3.9893 -2.704212 4.295509 
1 1 1   33    1  -20 o   7.8082   2.9596   6.6152   8.5356   23.072   12.228  -9.0213   11.920   12.426   3.5095   6.3114   2.9303 6.114523 4.572029 
1 1 1   33    1  -19 o   34.775   1.1887  163.871   11.103  155.599   15.746  172.049   15.658   33.669   1.7473   35.488   1.6427 -1.818993 2.398177 
1 1 1   33    1  -18 o   63.573   1.1373  547.172   19.420  555.547   29.575  540.824   25.748   63.722   1.7280   63.003   1.5216 0.7194824 2.302430 
1 1 1   33    1  -17 o   8.2156   3.3939   4.0447   12.168  -6.3097   14.395   29.960   22.773   7.3886   3.3513   14.146   4.9072 -6.757507 5.942376 
1 1 1   33    1  -16 o   37.927   1.2833  195.104   13.073  192.417   21.702  196.634   16.379   37.263   2.1778   37.970   1.6060 -0.7064400 2.705940 
1 1 1   33    1  -15 o   32.929   1.1984  146.854   10.599  148.968   14.836  144.649   15.147   32.991   1.6798   32.485   1.7424 0.5060997 2.420286 
1 1 1   33    1  -14 o   23.417   1.5991   75.060   9.9976   76.985   12.814   72.066   15.982   23.578   2.0437   22.560   2.6907 1.018604 3.378842 
1 1 1   33    1  -13 o   40.376   1.0769  220.356   11.678  207.309   16.436  233.658   16.596   39.020   1.5683   41.453   1.4906 -2.432934 2.163653 
1 1 1   33    1  -12 o   7.8216   2.8526   7.2228   7.7860   10.960   11.149   3.6649   10.878   9.4130   3.4164   7.8350   3.2198 1.578002 4.694568 
1 1 1   33    1  -11 o   32.952   1.1629  146.877   10.293  151.170   14.857  142.915   14.273   33.306   1.6608   32.347   1.6483 0.9585114 2.339837 
1 1 1   33    1  -10 o   47.562   0.7496  304.688   9.5761  310.132   13.642  299.400   13.446   47.915   1.0600   47.078   1.0633 0.8372040 1.501437 
1 1 1   33    1   -9 o   16.452   1.2793   36.870   5.6086   35.112   8.0135   38.557   7.8525   15.913   1.9132   16.720   1.7757 -0.8071222 2.610272 
1 1 1   33    1   -8 o   47.602   0.7776  305.238   9.9415  295.759   13.958  314.999   14.164   46.784   1.1108   48.286   1.0921 -1.502686 1.557712 
1 1 1   33    1   -7 o   19.976   1.1917   54.157   6.3648   57.802   8.9421   50.413   9.0615   20.549   1.6337   19.146   1.7826 1.402756 2.417963 
1 1 1   33    1   -6 o   49.953   0.7819  336.107   10.491  334.062   14.888  338.123   14.785   49.724   1.1148   50.029   1.1003 -0.3052063 1.566314 
1 1 1   33    1   -5 o   46.392   0.8283  289.993   10.322  289.895   15.159  290.078   14.093   46.295   1.2191   46.332   1.1325 -0.3728867E-01 1.663958 
1 1 1   33    1   -4 o   15.802   1.5640   34.247   6.5512   26.507   9.6269   40.923   8.9407   13.585   2.7330   17.191   1.9720 -3.605583 3.370176 
1 1 1   33    1   -3 o   5.3712   2.4557  -4.9772   7.9266  -0.4675   12.097  -8.3698   10.493   7.5305   3.2573   5.9339   2.7530 1.596599 4.264899 
1 1 1   33    1   -2 o   52.336   0.8789  369.193   12.354  367.004   17.700  371.272   17.252   52.079   1.2653   52.393   1.2259 -0.3140335 1.761815 
1 1 1   33    1   -1 o   25.402   1.2813   87.542   8.7137   93.998   11.651   79.347   13.127   26.235   1.6620   23.986   2.0575 2.249399 2.644906 
1 1 1   33    1    0 o   33.449   0.9834  150.938   8.8351  149.281   11.786  153.064   13.350   33.204   1.3215   33.587   1.4798 -0.3831902 1.983974 
1 1 1   33    1    1 o   42.267   0.9585  240.963   10.882  241.436   14.438  240.342   16.556   42.239   1.2727   42.092   1.4644 0.1475945 1.940155 
1 1 1   33    1    2 o   29.407   1.0482  116.743   8.2793  121.961   11.044  110.049   12.509   30.002   1.3706   28.398   1.6471 1.604036 2.142730 
1 1 1   33    1    3 o   10.501   2.5254   15.846   7.0357   20.274   9.2518   9.7747   10.835   11.822   2.9288   9.1214   3.3592 2.700664 4.456641 
1 1 1   33    1    4 o   21.378   1.2473   62.040   7.1311   61.492   10.035   62.600   10.136   21.166   1.7817   21.357   1.7833 -0.1907787 2.520792 
1 1 1   33    1    5 o   27.549   1.0482  102.468   7.7565  103.917   10.905  100.984   11.035   27.634   1.4746   27.230   1.5147 0.4038334 2.113967 
1 1 1   33    1    6 o   7.8385   2.6032   8.1634   6.4006   13.880   9.0424   2.4225   9.0614   9.9222   3.0751   7.0760   2.9264 2.846246 4.244975 
1 1 1   33    1    7 o   28.389   1.2300  109.044   9.3789  119.006   12.707   97.122   13.901   29.538   1.6078   26.572   1.9616 2.965752 2.536253 
1 1 1   33    1    8 o   29.338   1.0475  116.230   8.2542  112.504   11.128  120.787   12.307   28.794   1.4389   29.773   1.5442 -0.9794827 2.110744 
1 1 1   33    1    9 o   40.439   0.9094  220.543   9.8774  227.248   13.525  212.879   14.459   40.978   1.2288   39.627   1.3585 1.350449 1.831832 
1 1 1   33    1   10 o   39.387   0.9168  209.252   9.6987  211.364   13.396  206.926   14.059   39.508   1.2625   39.070   1.3398 0.4374237 1.840861 
1 1 1   33    1   11 o   8.3400   2.7800   9.3174   7.2969   18.626   10.033  -1.1360   10.632   11.304   3.1740   6.9465   3.0289 4.357976 4.387302 
1 1 1   33    1   12 o   13.928   2.2662   27.413   8.1864   15.973   10.821   42.721   12.517   10.606   3.3750   17.279   2.7924 -6.672668 4.380420 
1 1 1   33    1   13 o   36.837   1.0167  183.295   10.059  199.426   13.925  165.691   14.547   38.339   1.3523   34.889   1.5523 3.449200 2.058715 
1 1 1   33    1   14 o   32.556   1.0426  143.232   9.1164  155.421   12.561  129.665   13.252   33.833   1.3822   30.804   1.6073 3.029310 2.119890 
1 1 1   33    1   15 o   24.334   1.2494   80.459   8.1384   81.012   11.119   79.821   11.945   24.293   1.7150   24.067   1.8624 0.2266769 2.531744 
1 1 1   33    1   16 o   19.799   1.4927   53.644   7.8799   56.091   10.761   50.815   11.570   20.097   2.0210   19.021   2.3123 1.075329 3.071031 
1 1 1   33    1   17 o   22.782   1.5322   71.017   9.3214   64.001   12.419   80.071   14.107   21.414   2.1899   23.964   2.2169 -2.549900 3.116132 
1 1 1   33    1   18 o   34.691   1.0321  162.704   9.6170  162.908   13.088  162.464   14.178   34.614   1.4078   34.529   1.5288 0.8528137E-01 2.078232 
1 1 1   33    1   19 o   6.3909   2.6381   2.0946   7.3435   11.677   9.9574  -9.3317   10.873   9.3548   3.2449   5.9222   2.7659 3.432649 4.263791 
1 1 1   33    1   20 o   15.741   1.9427   34.560   8.0390   48.419   11.723   22.258   11.045   18.503   2.4166   12.236   3.2896 6.267146 4.081851 
1 1 1   33    1   21 o   42.804   1.0778  247.927   12.391  236.003   15.714  267.529   20.148   41.653   1.4046   44.219   1.6965 -2.565891 2.202487 
1 1 1   33    1   22 o   34.334   1.2316  159.897   11.358  168.957   15.547  149.529   16.632   35.157   1.6465   32.932   1.8882 2.224037 2.505225 
1 1 1   33    1   23 o   19.551   1.7595   52.777   9.1402   62.115   11.803   38.791   14.446   21.102   2.1109   16.116   3.4419 4.986046 4.037651 
1 1 1   33    1   24 o   8.2129   2.9645   8.3544   8.3775   0.6756   10.860   19.639   13.165   7.2632   3.1134   11.583   3.7264 -4.319945 4.855850 
1 1 1   33    1   25 o   20.199   1.6427   56.145   8.8353   64.336   12.839   48.776   12.177   21.410   2.2671   18.519   2.5132 2.891787 3.384622 
1 1 1   33    1   26 o   9.4528   2.8359   12.881   7.7735   11.135   11.038   14.600   10.949   9.3567   3.3989   10.181   3.4055 -0.8238649 4.811435 
1 1 1   33    1   27 o   16.854   2.1597   40.008   9.5518   37.637   13.734   42.229   13.293   15.866   3.3290   16.969   3.0277 -1.102396 4.499894 
1 1 1   33    1   28 o   31.899   1.1361  138.004   9.7341  137.806   13.613  138.211   13.924   31.685   1.6048   31.716   1.6402 -0.3147316E-01 2.294708 
1 1 1   33    1   29 o   23.819   1.5697   78.035   9.9858   83.814   13.983   72.021   14.265   24.442   2.1519   22.530   2.3941 1.912180 3.219077 
1 1 1   33    1   30 o   36.918   1.2324  185.481   12.220  181.831   17.293  189.122   17.272   36.298   1.7737   37.040   1.7361 -0.7415047 2.481966 
1 1 1   33    1   31 o   28.732   1.2800  112.612   9.8783  111.963   13.049  113.482   15.118   28.426   1.7172   28.471   1.9895 -0.4458809E-01 2.628076 
1 1 1   33    1   32 o   10.500   2.7481   16.561   7.8403   10.695   11.014   22.588   11.164   9.0673   3.3776   12.064   3.3343 -2.996296 4.746084 
1 1 1   33    1   33 o   6.5578   2.6943   2.9919   7.6149   8.4195   10.875  -2.2299   10.667   8.5014   3.3098   6.5970   2.9472 1.904343 4.431771 
1 1 1   33    1   34 o   25.456   1.5080   89.856   10.265   91.180   14.759   88.616   14.286   25.204   2.2023   24.875   2.1597 0.3287659 3.084551 
1 1 1   33    1   35 o   10.689   2.9811   17.858   8.8819   9.9116   12.618   25.662   12.505   8.9539   3.5413   12.513   3.5542 -3.558716 5.017237 
1 1 1   33    1   36 o   25.062   1.5940   87.993   10.674  100.967   16.392   78.441   14.065   26.236   2.3511   23.155   2.2916 3.080833 3.283149 
1 1 1   33    1   37 o   5.9017   2.7244  -5.0561   10.088 -24.3730   15.316   9.7472   13.407   5.7858   2.8428   8.8660   3.6009 -3.080222 4.587858 
1 1 1   33    1   38 o   6.5607   2.8594   1.1584   9.4662   5.7479   13.515  -3.2611   13.263   8.1528   3.4833   6.9304   3.1715 1.222374 4.710843 
1 1 1   33    2  -30 f   11.876   4.2753   21.560   17.410   21.560   17.410   0.0000   0.0000   11.876   4.2753  ?   ?  0.000000 4.275302 
1 1 1   33    2  -29 o   23.972   2.1104   80.941   13.450   82.668   18.874   79.159   19.172   23.662   3.0400   23.053   3.1810 0.6087379 4.400012 
1 1 1   33    2  -28 o   10.836   3.5572   17.368   11.964   21.570   16.808   13.052   17.034   12.012   4.2131   10.507   4.1275 1.505726 5.898018 
1 1 1   33    2  -27 o   27.175   1.5690  101.477   11.403  101.649   19.076  101.381   14.225   26.618   2.7058   26.985   1.9763 -0.3668537 3.350750 
1 1 1   33    2  -26 o   9.0961   3.0013   11.596   8.5130   2.9362   11.619   21.635   12.509   7.8139   3.2789   11.972   3.5988 -4.158090 4.868523 
1 1 1   33    2  -25 o   44.465   1.0902  267.851   13.020  270.432   18.595  265.368   18.237   44.479   1.5565   44.068   1.5408 0.4106178 2.190144 
1 1 1   33    2  -24 o   7.9462   3.0031   7.0444   8.7722   14.701   12.483  -0.4256   12.330   10.354   3.6308   7.5061   3.2676 2.847757 4.884688 
1 1 1   33    2  -23 o   25.680   1.4590   90.156   10.022   96.799   14.347   83.826   14.005   26.396   2.0395   24.507   2.1494 1.888292 2.963012 
1 1 1   33    2  -22 o   21.188   1.6843   61.829   9.5061   71.653   13.476   52.100   13.411   22.609   2.2490   19.068   2.6936 3.541021 3.509039 
1 1 1   33    2  -21 o   46.251   1.2478  290.330   15.500  284.429   26.853  293.279   18.982   45.273   2.2083   46.365   1.5243 -1.091782 2.683246 
1 1 1   33    2  -20 o   22.163   1.9533   68.158   11.509   91.924   15.585   39.662   17.066   25.619   2.2891   16.050   3.9787 9.568598 4.590257 
1 1 1   33    2  -19 o   29.220   1.5040  116.709   11.764  114.608   13.989  121.778   21.736   28.841   1.8152   29.235   2.8025 -0.3942127 3.338982 
1 1 1   33    2  -18 o   34.124   1.1921  157.871   10.927  166.731   15.221  148.451   15.695   34.929   1.6224   32.853   1.7853 2.075485 2.412416 
1 1 1   33    2  -17 o   18.212   1.8998   46.063   9.1562   34.627   12.966   57.439   12.932   15.279   3.2588   20.160   2.4379 -4.880765 4.069797 
1 1 1   33    2  -16 f   23.279   2.1066   75.445   13.029   70.138   15.746   86.970   23.204   22.192   2.6971   24.193   3.6875 -2.000957 4.568606 
1 1 1   33    2  -15 o   5.8658   2.6797  -5.4216   9.4149   12.731   14.202 -19.6544   12.575   10.219   3.8298   5.5651   2.6993 4.654325 4.685416 
1 1 1   33    2  -14 o   34.811   1.3046  164.493   12.197  160.989   19.543  166.729   15.611   34.067   2.1468   34.930   1.6640 -0.8623390 2.716172 
1 1 1   33    2  -13 o   34.208   1.3382  158.907   12.296  135.905   16.340  188.939   18.670   31.387   1.9478   37.057   1.8820 -5.670517 2.708482 
1 1 1   33    2  -12 o   10.961   2.8463   17.548   8.4538  -2.5244   12.183   36.191   11.741   7.2066   3.1885   15.811   2.8703 -8.604708 4.290118 
1 1 1   33    2  -11 o   4.2877   2.0960 -14.6926   8.0068 -16.5874   11.444 -12.8757   11.206   5.4359   2.6215   5.6848   2.7012 -0.2489476 3.764171 
1 1 1   33    2  -10 o   9.1063   2.0075   11.826   4.7778   10.227   6.7167   13.464   6.7977   8.5432   2.6507   9.6558   2.5742 -1.112654 3.694927 
1 1 1   33    2   -9 o   16.184   1.3042   35.744   5.6211   31.341   8.1356   39.766   7.7756   14.958   2.0814   16.978   1.7293 -2.020051 2.706026 
1 1 1   33    2   -8 o   3.5372   1.7212  -9.0961   5.2245  -8.0558   7.4575 -10.0988   7.3215   4.7409   2.2381   4.4424   2.1306 0.2984514 3.090045 
1 1 1   33    2   -7 o   20.563   1.1723   57.402   6.4478   63.036   9.2104   51.987   9.0293   21.452   1.6103   19.435   1.7485 2.017382 2.376980 
1 1 1   33    2   -6 o   12.998   1.7338   23.451   5.9023   22.129   8.4997   24.682   8.2023   12.384   2.6362   13.159   2.4095 -0.7751017 3.571450 
1 1 1   33    2   -5 o   5.6197   2.3271   1.3459   5.7404  -6.0912   8.1672   8.6070   8.0700   5.3033   2.4493   8.2635   2.9175 -2.960282 3.809299 
1 1 1   33    2   -4 o   22.730   1.1747   70.083   7.1471   61.849   10.537   77.099   9.7263   21.183   1.8713   23.763   1.5321 -2.579807 2.418455 
1 1 1   33    2   -3 o   27.683   1.1134  103.599   8.2786  103.744   11.445  103.441   11.989   27.575   1.5517   27.512   1.6297 0.6263542E-01 2.250251 
1 1 1   33    2   -2 f   35.286   0.9266  167.975   8.7815  175.329   13.251  162.216   11.726   35.952   1.3722   34.608   1.2615 1.343941 1.863955 
1 1 1   33    2   -1 o   42.385   0.8904  242.278   10.137  232.893   15.221  249.758   13.588   41.438   1.3675   42.967   1.1774 -1.528831 1.804591 
1 1 1   33    2    0 o   16.878   1.6254   39.133   7.2770   45.211   11.493   35.066   9.4019   17.915   2.4529   15.793   2.2827 2.121626 3.350761 
1 1 1   33    2    1 o   8.7972   2.6451   10.920   6.7569   10.492   10.218   11.252   9.0074   9.1510   3.2773   9.1567   3.0887 -0.5761147E-02 4.503392 
1 1 1   33    2    2 f   5.7001   2.4216   0.3936   6.4653   5.3623   8.7209  -5.6695   9.6337   7.5941   2.9619   5.9396   2.7123 1.654500 4.016183 
1 1 1   33    2    3 o   27.481   1.0825  102.057   7.9900   98.986   10.767  105.820   11.919   26.949   1.4934   27.836   1.6010 -0.8873348 2.189396 
1 1 1   33    2    4 o   22.820   1.2661   70.754   7.7299   75.991   10.539   64.655   11.372   23.553   1.6769   21.629   1.9795 1.923227 2.594296 
1 1 1   33    2    5 o   53.172   0.8561  381.213   12.227  394.289   16.637  365.857   18.030   53.991   1.1473   51.959   1.2919 2.032703 1.727803 
1 1 1   33    2    6 o   26.822   1.1993   97.379   8.6396   93.415   12.118  101.476   12.321   26.102   1.7384   27.224   1.6934 -1.121483 2.426861 
1 1 1   33    2    7 o   10.905   2.3387   17.048   6.6447   23.162   9.3303   10.756   9.4652   12.624   2.8226   9.0798   3.1629 3.544142 4.239201 
1 1 1   33    2    8 o   23.608   1.2013   75.650   7.5917   89.763   10.774   61.732   10.699   25.627   1.5728   21.142   1.9045 4.484922 2.470030 
1 1 1   33    2    9 o   10.325   2.6713   15.455   7.4644   30.091   9.3989  -9.5424   12.283   14.524   2.4994   6.3956   2.9712 8.128745 3.882651 
1 1 1   33    2   10 o   24.147   1.3263   79.348   8.5689   78.928   10.835   80.050   14.002   23.984   1.6927   23.983   2.1981 0.9574890E-03 2.774354 
1 1 1   33    2   11 o   16.033   1.9396   35.778   8.1829   37.056   10.154   33.410   13.820   16.173   2.4112   14.961   3.5013 1.212794 4.251267 
1 1 1   33    2   12 o   7.8835   2.8029   7.7638   7.4609   5.1780   9.4724   11.990   12.109   7.7289   3.0647   9.7651   3.5580 -2.036151 4.695925 
1 1 1   33    2   13 o   47.364   0.9578  302.999   12.185  312.460   15.788  289.061   19.162   48.012   1.2243   46.051   1.5492 1.960518 1.974546 
1 1 1   33    2   14 o   28.352   1.3071  109.123   9.9538  127.880   13.469   86.554   14.775   30.554   1.6473   24.906   2.2323 5.647854 2.774313 
1 1 1   33    2   15 o   43.014   1.0044  250.088   11.604  254.012   14.942  244.125   18.419   43.261   1.2860   42.279   1.6220 0.9817276 2.069900 
1 1 1   33    2   16 f   26.803   1.2776   97.507   9.1974  105.990   12.584   87.778   13.476   27.785   1.6944   25.161   2.0108 2.623384 2.629499 
1 1 1   33    2   17 o   28.061   1.3353  106.997   10.064  116.977   13.555   94.737   15.024   29.174   1.7377   26.077   2.1645 3.097086 2.775739 
1 1 1   33    2   18 o   27.559   1.2579  103.078   9.3113  126.155   13.617   82.811   12.761   30.321   1.6786   24.447   1.9599 5.873528 2.580478 
1 1 1   33    2   19 o   7.0216   2.7519   4.5226   7.5557   5.1214   10.230   3.8040   11.207   7.8920   3.1664   7.8964   3.2592 -0.4384041E-02 4.544037 
1 1 1   33    2   20 o   18.716   1.8707   48.606   9.2780   44.450   11.738   55.528   15.147   17.649   2.5500   19.572   2.9751 -1.922365 3.918386 
1 1 1   33    2   21 o   5.5334   2.4922  -3.3329   7.7998  -4.3136   10.391  -2.0670   11.805   6.3573   2.8687   7.1283   3.1470 -0.7710161 4.258298 
1 1 1   33    2   22 o   35.172   1.1077  167.531   10.464  167.096   13.500  168.184   16.562   35.027   1.4350   34.973   1.7689 0.5427933E-01 2.277784 
1 1 1   33    2   23 o   19.416   1.7456   52.087   9.0059   61.019   11.834   39.794   13.883   20.887   2.1396   16.374   3.2712 4.512703 3.908745 
1 1 1   33    2   24 o   7.1038   2.8315   4.2094   8.1251   16.124   10.614 -12.6548   12.628   10.539   3.3413   6.1563   2.9081 4.383200 4.429592 
1 1 1   33    2   25 o   11.347   2.8071   18.971   8.5077   18.227   12.172   19.683   11.896   11.144   3.5829   11.497   3.5212 -0.3531284 5.023551 
1 1 1   33    2   26 o   8.1376   3.0660   7.5982   9.1259  -8.8343   12.890   24.111   12.922   6.6050   3.0598   12.584   3.6254 -5.979285 4.743998 
1 1 1   33    2   27 o   15.658   2.0004   34.485   8.2205   40.835   11.491   27.829   11.765   16.803   2.6325   13.571   3.2670 3.232116 4.195661 
1 1 1   33    2   28 o   26.821   1.2573   97.939   9.0573  120.688   12.959   76.214   12.664   29.593   1.6367   23.324   2.0421 6.269234 2.617080 
1 1 1   33    2   29 o   5.9740   2.6668  -2.4491   8.7167 -20.9140   13.350   11.273   11.509   5.6507   2.7500   9.3300   3.4571 -3.679376 4.417519 
1 1 1   33    2   30 f   25.756   1.3570   91.012   9.3544   92.217   13.698   89.960   12.805   25.609   2.0076   25.355   1.8940 0.2547436 2.759999 
1 1 1   33    2   31 o   22.027   1.5611   67.257   9.1761   73.672   13.628   61.937   12.411   22.679   2.2677   20.783   2.2598 1.895605 3.201432 
1 1 1   33    2   32 o   5.2216   2.4029  -4.6688   7.7602   3.2377   11.195 -11.9821   10.767   7.5647   3.1987   5.4820   2.6168 2.082735 4.132749 
1 1 1   33    2   33 o   13.897   2.5986   28.995   9.3427   27.121   13.309   30.816   13.118   12.836   3.6739   13.774   3.5298 -0.9383526 5.094799 
1 1 1   33    2   34 f   13.536   2.5724   27.684   9.0103   36.807   13.012   19.280   12.489   15.168   3.2887   10.889   3.6372 4.279257 4.903477 
1 1 1   33    2   35 o   15.815   2.3097   37.062   9.5218   41.044   13.680   33.320   13.262   15.928   3.3059   14.152   3.5068 1.776299 4.819386 
1 1 1   33    2   36 o   9.3919   3.3385   13.861   10.584   6.5955   16.387   19.062   13.864   8.7678   3.7918   10.620   3.8160 -1.852577 5.379562 
1 1 1   33    2   37 o   11.047   3.1757   20.341   9.9246   38.690   15.168   6.6046   13.124   14.741   3.8050   8.1764   3.4607 6.564589 5.143420 
1 1 1   33    3  -29 o   15.974   5.0862   46.060   24.574   46.060   24.574   0.0000   0.0000   15.974   5.0862  ?   ?  0.000000 5.086197 
1 1 1   33    3  -28 o   16.055   2.9826   38.653   12.388   33.234   17.157   44.555   17.905   14.243   4.1991   16.592   4.0526 -2.349490 5.835690 
1 1 1   33    3  -27 o   16.326   3.0388   39.844   12.835   38.954   18.186   40.728   18.116   15.475   4.2469   15.857   4.1905 -0.3821125 5.966259 
1 1 1   33    3  -26 o   19.133   2.2694   51.993   11.435   34.372   18.448   62.989   14.573   14.582   4.3674   20.883   2.6583 -6.300969 5.112786 
1 1 1   33    3  -25 f   34.235   1.2374  159.391   11.378  155.298   16.772  162.881   15.486   33.475   1.8729   34.428   1.6747 -0.9534531 2.512475 
1 1 1   33    3  -24 o   18.537   1.9045   47.919   9.3474   33.455   13.295   62.058   13.145   14.862   3.4037   20.917   2.3822 -6.054567 4.154572 
1 1 1   33    3  -23 o   17.391   2.0747   42.473   9.5000   21.006   13.424   64.011   13.446   11.844   3.7579   21.257   2.3969 -9.413672 4.457248 
1 1 1   33    3  -22 o   39.617   1.1244  212.744   11.965  232.615   17.098  193.676   16.749   41.258   1.5429   37.597   1.6586 3.661667 2.265275 
1 1 1   33    3  -21 o   36.717   1.1592  182.801   11.431  185.793   15.980  179.665   16.360   36.850   1.6145   36.209   1.6822 0.6413383 2.331586 
1 1 1   33    3  -20 o   13.687   2.6682   27.212   9.4563   26.734   14.123   27.600   12.732   13.242   3.7826   13.515   3.4849 -0.2726803 5.143188 
1 1 1   33    3  -19 o   54.146   1.2070  397.780   17.553  376.195   29.800  409.249   21.722   52.099   2.1296   54.783   1.4762 -2.684029 2.591205 
1 1 1   33    3  -18 o   4.5992   2.2359 -14.5213   8.7609  -2.3752   11.535 -31.0785   13.468   6.9939   3.0981   5.1061   2.5370 1.887871 4.004336 
1 1 1   33    3  -17 o   9.5685   3.2662   12.569   10.074   22.351   12.335  -7.0165   17.455   12.202   3.5499   8.0901   3.6775 4.112334 5.111331 
1 1 1   33    3  -16 o   26.128   1.4247   93.235   9.9602  100.142   14.308   86.742   13.873   26.869   1.9969   24.959   2.0887 1.909739 2.889677 
1 1 1   33    3  -15 o   30.154   1.7187  124.974   13.862  124.873   17.556  125.142   22.590   29.925   2.1997   29.575   2.8804 0.3497257 3.624259 
1 1 1   33    3  -14 o   12.729   2.9276   23.860   9.8007   32.833   12.598   10.103   15.598   14.859   3.2474   9.9454   3.9361 4.913185 5.102801 
1 1 1   33    3  -13 o   6.6447   2.8027   1.3387   8.5599  -6.7202   12.115   9.3735   12.096   6.6271   3.0321   9.1718   3.5121 -2.544734 4.639855 
1 1 1   33    3  -12 o   27.338   1.7049  102.691   12.456  129.751   19.065   82.534   16.454   30.446   2.3495   24.142   2.5774 6.303808 3.487571 
1 1 1   33    3  -11 o   13.018   2.8679   24.827   9.7567   41.992   16.613   15.790   12.055   16.621   3.8035   10.597   3.5732 6.024263 5.218660 
1 1 1   33    3  -10 o   35.694   0.8797  171.965   8.4338  163.902   13.331  177.345   10.890   34.704   1.4301   36.192   1.1203 -1.487305 1.816686 
1 1 1   33    3   -9 o   31.991   0.8643  138.099   7.4263  133.735   10.564  142.363   10.442   31.398   1.2526   32.409   1.1996 -1.010397 1.734381 
1 1 1   33    3   -8 o   44.970   0.8301  272.778   10.027  266.438   15.007  277.891   13.476   44.318   1.2607   45.312   1.1073 -0.9943695 1.677911 
1 1 1   33    3   -7 o   28.589   0.9462  110.383   7.2656  117.558   10.608  104.043   9.9714   29.420   1.3425   27.678   1.3413 1.742485 1.897748 
1 1 1   33    3   -6 o   13.570   1.7219   25.563   6.1346   25.193   8.7458   25.921   8.6072   13.229   2.5539   13.448   2.4740 -0.2195253 3.555715 
1 1 1   33    3   -5 o   41.879   0.8113  236.494   9.1253  239.309   13.047  233.798   12.768   42.040   1.1555   41.557   1.1439 0.4834824 1.625908 
1 1 1   33    3   -4 o   24.810   1.1425   83.327   7.6136   79.106   11.680   86.445   10.040   23.961   1.8286   25.158   1.4925 -1.196970 2.360414 
1 1 1   33    3   -3 o   28.226   1.0126  107.666   7.6769  117.116   10.949   98.527   10.767   29.359   1.3885   26.863   1.4982 2.496084 2.042656 
1 1 1   33    3   -2 o   34.243   0.9542  158.345   8.7767  174.889   13.073  144.768   11.843   35.888   1.3562   32.653   1.3503 3.234863 1.913800 
1 1 1   33    3   -1 o   31.446   1.0013  133.599   8.4566  124.691   12.515  141.084   11.472   30.215   1.5473   32.242   1.3247 -2.026438 2.036904 
1 1 1   33    3    0 o   14.969   1.8219   31.115   7.1736   32.100   10.243   30.166   10.050   14.952   2.6475   14.471   2.6844 0.4802637 3.770342 
1 1 1   33    3    1 o   20.177   1.4004   55.575   7.5421   47.319   11.402   61.995   10.056   18.326   2.3722   21.213   1.7815 -2.886923 2.966690 
1 1 1   33    3    2 o   27.329   1.1184  101.064   8.2093  115.235   12.524   90.389   10.870   29.022   1.6131   25.703   1.5823 3.319376 2.259539 
1 1 1   33    3    3 o   31.322   1.0460  132.627   8.7999  127.912   13.259  136.338   11.764   30.578   1.6202   31.679   1.3826 -1.100636 2.129984 
1 1 1   33    3    4 o   7.6529   2.6252   7.6288   6.5086   8.1636   9.2084   7.0949   9.2008   8.3534   3.0930   8.0939   3.0716 0.2594395 4.359058 
1 1 1   33    3    5 o   9.3473   2.5312   12.607   6.5112   2.8789   9.0230   23.178   9.4053   7.1163   2.9293   12.596   2.8470 -5.479639 4.084886 
1 1 1   33    3    6 o   10.177   2.7139   15.055   7.5542   10.486   10.745   19.521   10.623   9.1961   3.3515   11.509   3.2782 -2.312855 4.688145 
1 1 1   33    3    7 o   24.279   1.1802   79.860   7.6964   75.080   10.714   84.957   11.063   23.368   1.7191   24.883   1.6649 -1.514235 2.393165 
1 1 1   33    3    8 o   7.2082   2.6293   6.1249   6.6153   11.561   9.3851   0.7563   9.3262   9.2470   3.1526   6.8024   2.8997 2.444545 4.283318 
1 1 1   33    3    9 o   27.943   1.0912  105.664   8.1894  108.947   11.537  102.330   11.627   28.232   1.5272   27.338   1.5903 0.8936615 2.204839 
1 1 1   33    3   10 o   13.686   2.0926   26.408   7.4476   21.504   10.378   31.616   10.694   12.047   3.1659   14.759   2.8003 -2.711584 4.226640 
1 1 1   33    3   11 o   9.9481   2.5643   14.378   6.8951   15.853   9.6666   12.851   9.8379   10.444   3.1690   9.6344   3.2280 0.8100710 4.523571 
1 1 1   33    3   12 o   31.537   1.0528  134.561   8.9181  142.717   12.315  125.566   12.932   32.383   1.4159   30.281   1.5956 2.101791 2.133243 
1 1 1   33    3   13 o   29.290   1.0954  116.152   8.6173  102.979   11.801  131.201   12.613   27.407   1.6102   31.017   1.5140 -3.609671 2.210191 
1 1 1   33    3   14 o   44.168   0.9267  263.529   10.994  272.407   14.941  253.047   16.235   44.802   1.2416   43.119   1.4018 1.683132 1.872598 
1 1 1   33    3   15 o   10.055   2.6852   14.749   7.3886   13.377   10.186   16.272   10.733   9.7958   3.2847   10.598   3.3600 -0.8024120 4.698798 
1 1 1   33    3   16 o   7.4498   2.9453   4.9561   8.7255  -5.2678   11.955   16.611   12.764   6.7457   3.0574   10.829   3.6767 -4.083799 4.781847 
1 1 1   33    3   17 o   13.102   2.6489   24.948   9.0010   25.823   12.245   23.919   13.276   13.095   3.4378   12.586   3.6889 0.5087833 5.042484 
1 1 1   33    3   18 o   15.022   2.1957   31.920   8.5980   33.858   11.478   29.441   12.979   15.212   2.9152   13.965   3.4743 1.247057 4.535336 
1 1 1   33    3   19 o   21.794   1.4851   65.066   8.6417   72.836   11.800   56.078   12.691   22.912   1.9355   19.897   2.4249 3.014774 3.102627 
1 1 1   33    3   20 o   22.804   1.4813   71.207   9.0238   68.356   12.269   74.567   13.318   22.131   2.0887   23.088   2.1733 -0.9563198 3.014289 
1 1 1   33    3   21 o   29.381   1.1635  117.064   9.1816  115.301   12.470  119.152   13.569   28.990   1.6078   29.425   1.7244 -0.4353294 2.357651 
1 1 1   33    3   22 o   25.775   1.2964   90.546   8.9463   85.999   12.104   96.021   13.282   24.942   1.8193   26.332   1.8905 -1.390741 2.623744 
1 1 1   33    3   23 o   6.3570   2.7338   0.1798   8.4232  -5.5598   11.212   7.6154   12.762   6.4500   2.9379   8.9182   3.5506 -2.468215 4.608442 
1 1 1   33    3   24 o   16.533   1.9374   38.259   8.4401   43.941   11.546   31.737   12.369   17.500   2.5298   14.532   3.2504 2.968112 4.118850 
1 1 1   33    3   25 f   15.224   2.7533   33.906   10.844   26.739   13.584   46.500   18.006   13.161   3.6925   17.235   3.9713 -4.073501 5.422751 
1 1 1   33    3   26 o   16.645   1.9499   38.913   8.5520   46.863   11.816   30.167   12.393   18.047   2.5052   14.068   3.3314 3.978758 4.168216 
1 1 1   33    3   27 o   7.4964   2.8413   6.3740   7.8666   12.084   11.073   0.5548   11.178   9.4518   3.4087   7.2378   3.1309 2.214047 4.628354 
1 1 1   33    3   28 o   4.7351   2.2690 -10.5906   8.2634  -3.4824   11.856 -17.3046   11.523   6.8332   3.0756   5.3207   2.5815 1.512416 4.015409 
1 1 1   33    3   29 o   18.692   1.7666   48.937   8.7641   52.942   13.095   45.688   11.795   18.993   2.6383   17.668   2.5602 1.325150 3.676298 
1 1 1   33    3   30 o   33.294   1.1859  151.417   10.605  152.885   15.993  150.264   14.167   33.043   1.8089   32.939   1.6014 0.1049271 2.415867 
1 1 1   33    3   31 o   9.3706   3.0465   13.268   8.7833   34.525   14.253   0.2524   11.153   14.535   3.6547   7.0454   3.0862 7.489402 4.783441 
1 1 1   33    3   32 o   5.4243   2.5009  -4.8712   8.4612 -17.1589   14.045   2.1296   10.601   5.9950   2.8944   7.1511   3.0709 -1.156101 4.219975 
1 1 1   33    3   33 o   5.7956   2.6313  -3.1336   8.9025 -23.0575   12.344   18.463   12.852   5.0723   2.5037   10.633   3.6866 -5.560776 4.456376 
1 1 1   33    3   34 o   16.782   2.2341   41.608   9.8196   45.289   14.338   38.357   13.476   16.669   3.3193   15.254   3.3782 1.414619 4.736024 
1 1 1   33    3   35 o   5.7248   2.6632  -5.7498   9.9239 -17.6599   14.741   4.1214   13.420   6.0206   2.9207   7.8914   3.4221 -1.870889 4.499056 
1 1 1   33    3   36 o   10.240   3.2702   17.714   10.153   27.023   13.029   3.3225   16.200   12.287   3.6681   8.1698   3.6422 4.117479 5.169204 
1 1 1   33    4  -27 o   22.663   3.3192   78.496   19.605   78.496   19.605   0.0000   0.0000   22.663   3.3192  ?   ?  0.000000 3.319243 
1 1 1   33    4  -26 f   22.419   2.3401   71.951   13.884   44.203   20.062   97.453   19.233   16.227   4.4634   25.780   2.8238 -9.552589 5.281678 
1 1 1   33    4  -25 o   10.009   3.5202   14.212   11.738   10.125   17.022   17.917   16.208   9.9640   4.0533   11.184   4.1101 -1.219559 5.772558 
1 1 1   33    4  -24 o   20.785   1.9811   60.552   10.926   71.951   18.501   54.449   13.538   21.966   3.2325   19.375   2.6727 2.591682 4.194372 
1 1 1   33    4  -23 o   8.6219   3.0250   9.9482   8.6651   4.9346   12.300   14.888   12.209   8.2866   3.4166   10.276   3.5915 -1.989631 4.957079 
1 1 1   33    4  -22 o   6.1385   2.6964  -1.2682   8.5657 -18.4135   12.363   14.560   11.879   5.5520   2.6890   10.191   3.5437 -4.638710 4.448391 
1 1 1   33    4  -21 o   6.4101   2.7616   0.1250   8.6250  -6.6041   12.125   7.0171   12.271   6.6084   3.0272   8.6875   3.4741 -2.079115 4.607975 
1 1 1   33    4  -20 o   42.213   1.1132  241.576   12.621  245.364   17.686  237.644   18.017   42.353   1.5548   41.654   1.6104 0.6992378 2.238451 
1 1 1   33    4  -19 f   10.726   2.9609   16.999   8.8101   9.6353   12.316   24.716   12.608   9.2242   3.5410   12.760   3.5494 -3.536263 5.013693 
1 1 1   33    4  -18 o   10.397   3.2519   15.752   10.086   9.1734   18.826   18.400   11.945   10.314   4.2367   11.175   3.5448 -0.8609056 5.524098 
1 1 1   33    4  -17 o   37.745   1.2266  193.439   12.435  199.687   19.222  188.941   16.308   38.070   1.8798   37.146   1.6345 0.9238434 2.491049 
1 1 1   33    4  -16 o   24.409   1.4865   81.589   9.6992   92.687   13.887   71.020   13.552   25.818   2.0187   22.473   2.2766 3.344830 3.042756 
1 1 1   33    4  -15 f   26.192   1.6599   94.336   11.617   98.228   13.947   85.517   20.992   26.606   1.9656   24.106   3.3311 2.499456 3.867798 
1 1 1   33    4  -14 o   9.4857   3.4581   11.494   11.441   22.182   14.459  -6.4048   18.711   12.172   3.9042   8.4394   3.8251 3.732617 5.465706 
1 1 1   33    4  -13 o   24.712   1.7416   84.190   11.486  104.495   14.416   48.892   19.006   27.449   1.9684   17.755   4.0722 9.693457 4.522947 
1 1 1   33    4  -12 o   31.212   1.2921  132.398   10.832  150.716   14.999  112.429   15.660   33.121   1.6916   28.434   2.0646 4.687077 2.669136 
1 1 1   33    4  -11 o   20.216   1.2145   55.657   6.5639   54.217   7.2899   61.826   15.088   19.914   1.3713   20.741   2.7781 -0.8267555 3.098140 
1 1 1   33    4  -10 o   5.1395   2.2059  -0.0580   5.4650   5.0463   8.9585  -3.0834   6.8970   7.5293   2.9820   5.1901   2.3400 2.339230 3.790505 
1 1 1   33    4   -9 o   23.479   1.0467   74.605   6.6010   76.639   9.8317   72.935   8.9071   23.640   1.5572   23.093   1.4433 0.5467167 2.123160 
1 1 1   33    4   -8 f   37.856   0.9154  193.583   9.3079  198.852   15.420  190.563   11.675   38.180   1.5037   37.494   1.1593 0.6859627 1.898685 
1 1 1   33    4   -7 o   18.595   1.3573   47.270   6.7322   48.704   10.373   46.226   8.8494   18.652   2.1075   18.258   1.8292 0.3939667 2.790580 
1 1 1   33    4   -6 o   10.673   2.2322   16.368   6.1935   3.7660   8.9968   27.720   8.5391   7.2690   2.9507   13.929   2.3671 -6.660231 3.782793 
1 1 1   33    4   -5 o   17.623   1.3599   42.475   6.3869   44.651   9.1932   40.445   8.8799   17.908   1.9425   17.022   1.9792 0.8854694 2.773128 
1 1 1   33    4   -4 o   32.173   1.0587  140.065   9.1483  141.295   13.075  138.886   12.805   32.187   1.5124   31.917   1.4937 0.2695408 2.125641 
1 1 1   33    4   -3 f   16.415   1.5473   37.082   6.7416   23.306   9.5421   50.811   9.5260   12.594   2.8831   19.139   1.8772 -6.544975 3.440348 
1 1 1   33    4   -2 o   8.5507   2.5735   10.399   6.3939   10.205   8.9740   10.600   9.1123   8.8092   3.0791   8.9359   3.1039 -0.1267290 4.372086 
1 1 1   33    4   -1 o   11.366   2.4189   18.658   7.1581   28.811   11.120   11.473   9.3540   13.976   3.0480   9.2031   3.1473 4.773294 4.381286 
1 1 1   33    4    0 o   8.3063   2.7422   9.4306   7.1064  -0.7036   10.172   19.092   9.9322   6.8206   2.9686   11.364   3.1465 -4.543499 4.325843 
1 1 1   33    4    1 o   18.358   1.5205   46.265   7.4300   38.644   11.038   52.578   10.047   16.425   2.5877   19.450   1.9495 -3.024569 3.239816 
1 1 1   33    4    2 o   33.818   0.9527  154.526   8.6538  160.583   12.249  148.489   12.228   34.376   1.3266   33.041   1.3779 1.335144 1.912701 
1 1 1   33    4    3 f   15.581   1.8880   33.836   7.7399   37.163   11.594   31.160   10.396   16.019   2.7964   14.659   2.7412 1.360250 3.915832 
1 1 1   33    4    4 o   38.135   0.9689  196.546   9.9244  176.843   14.688  213.099   13.463   36.007   1.5187   39.619   1.2651 -3.612740 1.976619 
1 1 1   33    4    5 o   18.761   1.7915   48.714   8.9176   49.417   13.956   48.229   11.593   18.471   2.9094   18.457   2.3950 0.1386261E-01 3.768360 
1 1 1   33    4    6 o   11.368   2.3830   18.647   7.0433   19.559   9.8263   17.682   10.101   11.492   3.1084   10.958   3.2194 0.5337696 4.475106 
1 1 1   33    4    7 o   12.661   2.1065   22.724   6.9118   23.556   9.8314   21.910   9.7193   12.636   2.9503   12.172   2.9936 0.4639244 4.203101 
1 1 1   33    4    8 f   25.324   1.1535   86.925   7.8462   84.814   10.993   89.118   11.203   24.842   1.6570   25.471   1.6463 -0.6288891 2.335838 
1 1 1   33    4    9 o   31.066   1.0916  130.695   9.1087  132.673   12.655  128.568   13.121   31.182   1.5110   30.627   1.6006 0.5550556 2.201139 
1 1 1   33    4   10 o   36.725   0.9444  182.268   9.3156  182.012   13.125  182.529   13.224   36.584   1.3357   36.633   1.3440 -0.4903030E-01 1.894844 
1 1 1   33    4   11 o   34.693   0.9875  162.763   9.2014  173.662   12.901  151.480   13.127   35.731   1.3443   33.331   1.4663 2.400082 1.989279 
1 1 1   33    4   12 o   40.645   0.9259  223.221   10.108  228.950   14.282  217.472   14.307   41.043   1.2956   39.987   1.3321 1.055649 1.858256 
1 1 1   33    4   13 o   20.905   1.5234   59.970   8.4948   58.172   12.105   61.714   11.924   20.333   2.2545   20.993   2.1448 -0.6605530 3.111733 
1 1 1   33    4   14 o   16.976   1.7619   39.967   7.9165   38.705   10.726   41.478   11.733   16.444   2.5079   16.971   2.6616 -0.5270405 3.656981 
1 1 1   33    4   15 f   28.177   1.4882  108.633   11.223  122.062   16.679   97.524   15.171   29.602   2.1117   26.424   2.1564 3.178036 3.018115 
1 1 1   33    4   16 o   10.565   2.7517   16.392   7.8860   19.930   10.877   12.470   11.450   11.557   3.3252   9.7074   3.4701 1.849657 4.806055 
1 1 1   33    4   17 o   49.478   0.9312  330.861   12.375  323.870   16.741  339.282   18.375   48.817   1.2768   49.920   1.3704 -1.103172 1.873029 
1 1 1   33    4   18 o   28.116   1.2022  107.298   9.0787   93.780   12.388  122.983   13.344   26.066   1.7801   29.912   1.6676 -3.846352 2.439136 
1 1 1   33    4   19 f   17.321   1.8756   41.793   8.5861   43.627   11.630   39.595   12.730   17.444   2.5582   16.416   2.9976 1.027670 3.940780 
1 1 1   33    4   20 o   34.616   1.2371  162.806   11.502  152.939   15.396  175.266   17.301   33.326   1.7260   35.636   1.8135 -2.310181 2.503567 
1 1 1   33    4   21 o   6.9750   2.8677   3.0203   8.6338   3.9019   11.099   1.6696   13.739   7.8385   3.2400   8.1536   3.4986 -0.3150849 4.768424 
1 1 1   33    4   22 o   17.661   1.8601   43.507   8.6911   38.380   11.934   49.298   12.683   16.181   2.8499   18.492   2.6274 -2.310606 3.876246 
1 1 1   33    4   23 o   7.4185   2.9285   5.1742   8.6141   2.6087   11.227   8.8457   13.431   7.6192   3.2115   9.2173   3.6510 -1.598153 4.862510 
1 1 1   33    4   24 o   31.822   1.3532  138.239   11.566  148.708   15.750  125.987   17.038   32.757   1.7970   29.954   2.1317 2.803049 2.788057 
1 1 1   33    4   25 o   10.580   2.9923   16.829   8.8835   23.447   11.572   7.3327   13.862   12.331   3.3892   8.9705   3.6545 3.360331 4.984130 
1 1 1   33    4   26 f   14.554   2.2301   30.482   8.4400   40.861   12.280   21.189   11.619   16.575   2.8618   11.688   3.4584 4.887551 4.488867 
1 1 1   33    4   27 o   12.609   2.7886   23.966   9.1932   23.584   13.499   24.296   12.555   12.160   3.7552   12.378   3.5758 -0.2175999 5.185355 
1 1 1   33    4   28 o   23.986   1.4494   79.516   9.2936   69.298   13.923   87.728   12.481   21.847   2.4129   24.966   1.8750 -3.118864 3.055820 
1 1 1   33    4   29 o   6.2460   2.7194   0.1039   8.5423   1.0763   13.425  -0.5577   11.073   7.7330   3.3868   6.9045   3.0481 0.8285093 4.556434 
1 1 1   33    4   30 o   41.910   1.0624  239.740   11.959  250.710   18.690  232.133   15.563   42.388   1.6416   40.986   1.4137 1.401272 2.166414 
1 1 1   33    4   31 o   12.252   2.6115   22.968   8.3312   14.544   12.363   29.976   11.276   9.7646   3.5895   13.707   3.1313 -3.942866 4.763331 
1 1 1   33    4   32 o   23.725   1.7030   79.687   10.780   84.527   14.103   72.886   16.719   24.027   2.2102   21.625   2.9559 2.401861 3.690801 
1 1 1   33    4   33 o   21.838   1.8173   68.360   10.563   77.754   13.897   55.508   16.254   22.888   2.2914   18.278   3.4370 4.609583 4.130846 
1 1 1   33    4   34 o   8.9446   3.1919   12.647   9.6842   21.636   13.679   3.6122   13.712   10.998   3.8039   7.8123   3.4222 3.185861 5.116713 
1 1 1   33    4   35 o   10.322   3.1661   18.089   9.6138   29.590   13.695   6.9143   13.499   12.683   3.7549   8.1581   3.4833 4.525064 5.121788 
1 1 1   33    5  -26 o   7.4898   3.4420  -6.2505   15.850  -6.2505   15.850   0.0000   0.0000   7.4898   3.4420  ?   ?  0.000000 3.442025 
1 1 1   33    5  -25 o   7.7492   3.5139  -4.1038   15.812  -4.1038   15.812   0.0000   0.0000   7.7492   3.5139  ?   ?  0.000000 3.513907 
1 1 1   33    5  -24 o   12.870   3.4681   25.992   12.259   19.844   17.789   31.551   16.917   11.544   4.2941   13.840   4.1907 -2.295842 6.000145 
1 1 1   33    5  -23 o   9.7616   3.2076   13.970   9.7271   3.3718   15.916   20.290   12.289   8.7651   3.7634   11.472   3.5897 -2.707293 5.200891 
1 1 1   33    5  -22 o   5.6338   2.6197  -7.2287   9.5842   2.4882   16.682 -12.0161   11.710   8.8460   3.8257   5.8577   2.7769 2.988275 4.727311 
1 1 1   33    5  -21 o   5.1199   2.4252  -9.5073   8.8962 -16.4012   13.171  -3.7227   12.064   5.9488   2.8543   6.9061   3.1061 -0.9573393 4.218339 
1 1 1   33    5  -20 o   12.477   2.7082   22.969   8.8151   23.732   12.330   22.171   12.608   12.439   3.5279   12.039   3.6116 0.3997717 5.048728 
1 1 1   33    5  -19 o   6.7947   2.8310   2.2921   8.5704   6.7206   12.119  -2.1382   12.122   8.5785   3.4447   7.1583   3.1731 1.420255 4.683459 
1 1 1   33    5  -18 o   8.5411   3.0458   9.4855   8.8164   2.2281   12.357   17.011   12.583   7.8760   3.3470   10.830   3.6506 -2.954232 4.952704 
1 1 1   33    5  -17 o   19.177   1.9875   51.418   10.089   38.534   15.988   59.942   13.004   15.776   3.8150   20.543   2.4022 -4.767295 4.508296 
1 1 1   33    5  -16 o   28.436   1.4463  110.630   11.010  141.187   18.040   92.489   13.900   31.808   2.1237   25.764   2.0249 6.044170 2.934375 
1 1 1   33    5  -15 o   17.335   1.9704   42.037   9.0114   32.675   12.965   50.787   12.534   14.722   3.3538   18.842   2.5415 -4.120356 4.207951 
1 1 1   33    5  -14 o   27.971   1.3567  106.546   10.193   98.837   14.240  114.646   14.596   26.656   2.0035   28.768   1.8998 -2.111584 2.761050 
1 1 1   33    5  -13 o   4.8628   2.3654 -16.2259   9.8434 -13.0435   14.453 -18.9789   13.443   6.6678   3.1379   5.8662   2.8321 0.8015776 4.226986 
1 1 1   33    5  -12 o   16.618   2.5283   39.619   10.929   47.817   13.162   21.418   19.612   18.172   2.7856   12.304   4.5212 5.867284 5.310467 
1 1 1   33    5  -11 o   20.258   1.4013   56.186   7.5780   56.186   7.5780   0.0000   0.0000   20.258   1.4013  ?   ?  0.000000 1.401337 
1 1 1   33    5  -10 o   6.3551   2.3638   4.5068   5.3907   5.1356   7.4008   3.7961   7.8679   7.1117   2.7411   6.9213   2.7769 0.1904049 3.901871 
1 1 1   33    5   -9 o   6.4602   2.4105   4.6280   5.6142  -0.1111   8.0739   9.0647   7.8121   6.1807   2.6673   8.2794   2.8740 -2.098721 3.921035 
1 1 1   33    5   -8 o   5.8173   2.3732   2.0689   5.8560 -10.3106   8.0906   15.691   8.4869   4.7298   2.2607   10.330   2.9259 -5.599916 3.697532 
1 1 1   33    5   -7 o   22.582   1.1413   69.320   6.9001   71.007   9.8842   67.716   9.6369   22.715   1.6309   22.181   1.6290 0.5344830 2.305086 
1 1 1   33    5   -6 o   18.140   1.3451   45.018   6.5069   45.705   9.3539   44.373   9.0574   18.097   1.9555   17.840   1.9205 0.2564583 2.740837 
1 1 1   33    5   -5 o   34.408   0.9728  160.104   8.9902  149.606   13.953  167.555   11.755   33.076   1.5706   35.121   1.2462 -2.044788 2.004938 
1 1 1   33    5   -4 o   46.057   0.9213  286.654   11.397  278.239   15.791  295.803   16.466   45.237   1.2996   46.636   1.3145 -1.399311 1.848513 
1 1 1   33    5   -3 o   18.011   1.5104   44.589   7.2393   46.467   10.847   43.081   9.7209   18.134   2.2773   17.513   2.1089 0.6201954 3.103838 
1 1 1   33    5   -2 o   21.609   1.3272   63.750   7.6657   73.528   11.499   55.930   10.284   23.033   1.8751   20.049   1.9337 2.983950 2.693530 
1 1 1   33    5   -1 o   15.468   1.8597   33.380   7.5714   22.738   11.105   42.622   10.350   12.311   3.2940   17.358   2.2746 -5.047568 4.003022 
1 1 1   33    5    0 o   9.0463   2.6290   11.821   6.7686   14.721   9.7099   9.0795   9.4403   10.095   3.1953   8.5767   3.1390 1.518005 4.479249 
1 1 1   33    5    1 o   24.481   1.2229   81.372   8.0414   83.556   11.991   79.587   10.841   24.581   1.8293   24.038   1.6898 0.5428486 2.490343 
1 1 1   33    5    2 o   31.357   1.0522  133.125   8.8618  151.047   13.022  117.666   12.094   33.279   1.4569   29.307   1.5418 3.971706 2.121282 
1 1 1   33    5    3 o   24.008   1.2467   78.491   8.0114   79.557   11.849   77.593   10.874   23.972   1.8547   23.723   1.7182 0.2489738 2.528237 
1 1 1   33    5    4 o   23.700   1.3190   76.629   8.3630   73.542   12.847   78.899   11.017   22.941   2.1086   23.919   1.7264 -0.9780540 2.725207 
1 1 1   33    5    5 o   30.745   1.1663  128.222   9.6316  125.159   13.764  131.161   13.482   30.160   1.7061   30.909   1.6298 -0.7487965 2.359462 
1 1 1   33    5    6 o   11.869   2.4736   20.434   7.6300   12.590   11.620   26.379   10.116   9.7511   3.4946   13.376   2.8995 -3.624866 4.540864 
1 1 1   33    5    7 o   36.486   1.0262  180.180   10.057  168.117   15.168  189.643   13.434   35.044   1.6115   37.330   1.3398 -2.285370 2.095731 
1 1 1   33    5    8 o   6.7396   2.7575   2.8852   7.9357   12.550   12.783  -3.1756   10.123   9.9016   3.6483   6.4071   2.8660 3.494547 4.639460 
1 1 1   33    5    9 o   18.045   1.6018   44.900   7.6829   38.465   10.386   52.677   11.418   16.412   2.4295   19.330   2.2408 -2.918581 3.305061 
1 1 1   33    5   10 o   14.599   1.9370   29.898   7.4080   24.338   10.355   35.727   10.602   12.783   3.0572   15.738   2.5988 -2.955086 4.012495 
1 1 1   33    5   11 o   29.214   1.1096  115.686   8.7070  118.756   12.151  112.447   12.483   29.435   1.5423   28.606   1.6314 0.8290634 2.245053 
1 1 1   33    5   12 o   29.339   1.1257  116.707   8.8708  115.688   12.322  117.803   12.782   29.034   1.5860   29.281   1.6317 -0.2466755 2.275480 
1 1 1   33    5   13 o   29.415   1.1488  117.361   9.0765  121.779   12.451  112.351   13.259   29.800   1.5611   28.550   1.7373 1.250519 2.335620 
1 1 1   33    5   14 o   8.5656   3.0129   9.6483   8.5985   14.548   12.256   4.8992   12.067   10.263   3.5977   8.2715   3.3942 1.991607 4.946114 
1 1 1   33    5   15 o   20.430   1.4947   57.298   8.1446   74.884   11.491   39.543   11.546   23.240   1.8563   16.528   2.6936 6.712208 3.271286 
1 1 1   33    5   16 o   20.835   1.5377   59.669   8.5443   56.511   11.492   63.575   12.777   20.046   2.1688   21.228   2.2765 -1.181545 3.144279 
1 1 1   33    5   17 o   20.837   1.5443   59.711   8.5813   43.907   11.481   79.719   12.917   17.498   2.5150   23.899   2.0316 -6.400990 3.233053 
1 1 1   33    5   18 o   15.724   2.1498   34.998   8.8414   18.990   12.230   52.525   12.797   11.285   3.5876   19.138   2.5531 -7.852585 4.403299 
1 1 1   33    5   19 o   15.316   2.1432   33.256   8.5751   38.394   12.293   28.387   11.968   16.133   2.9454   13.686   3.2952 2.447186 4.419731 
1 1 1   33    5   20 o   6.4772   2.7356   1.3916   8.1719  -1.3791   11.605   4.1166   11.509   7.1005   3.1282   7.9508   3.2939 -0.8503413 4.542655 
1 1 1   33    5   21 o   12.840   2.5792   24.173   8.5862   23.583   11.958   24.800   12.336   12.389   3.4604   12.684   3.5047 -0.2947340 4.925157 
1 1 1   33    5   22 o   11.140   2.8719   18.613   8.6478   13.755   12.415   23.192   12.053   9.9874   3.6082   12.252   3.4926 -2.264333 5.021690 
1 1 1   33    5   23 o   13.727   2.9126   28.295   10.406   41.072   14.522   14.810   14.919   16.323   3.4217   10.441   3.9228 5.882699 5.205459 
1 1 1   33    5   24 o   39.078   1.1613  208.053   12.189  185.314   15.907  240.385   18.969   36.637   1.6165   41.671   1.6948 -5.033859 2.342124 
1 1 1   33    5   25 o   28.250   1.4327  109.988   10.835  103.771   14.351  118.231   16.524   27.124   1.9837   28.843   2.1484 -1.719173 2.924135 
1 1 1   33    5   26 o   22.840   1.5846   72.569   9.6604   66.691   13.412   78.907   13.926   21.442   2.3684   23.428   2.2405 -1.986156 3.260227 
1 1 1   33    5   27 o   27.391   1.3034  103.080   9.5892   99.608   12.999  107.225   14.203   26.582   1.8319   27.510   1.9346 -0.9278202 2.664260 
1 1 1   33    5   28 o   26.646   1.4046   98.357   10.017   83.949   12.901  120.228   15.895   24.233   2.0000   28.977   2.0557 -4.743284 2.868046 
1 1 1   33    5   29 o   10.738   2.9698   18.263   8.8532   18.182   12.692   18.340   12.356   10.571   3.6636   10.606   3.6173 -0.3489399E-01 5.148497 
1 1 1   33    5   30 o   6.0281   2.6737  -0.8088   8.6187   20.177   14.392 -12.5436   10.762   10.907   3.8912   5.3345   2.5649 5.572109 4.660523 
1 1 1   33    5   31 o   9.8194   3.2073   15.699   9.7310   25.359   14.990   8.6633   12.793   11.851   3.9845   8.5141   3.4944 3.336454 5.299759 
1 1 1   33    5   32 o   7.2208   3.0626   4.0863   10.312   26.631   14.853 -16.8958   14.329   11.998   3.9647   5.9368   2.8799 6.061602 4.900270 
1 1 1   33    5   33 o   14.053   2.8771   31.984   10.494   26.889   14.308   37.915   15.438   11.972   3.8882   14.272   3.9112 -2.299734 5.514986 
1 1 1   33    6  -25 f   11.668   4.6981   21.330   22.610   21.330   22.610   0.0000   0.0000   11.668   4.6981  ?   ?  0.000000 4.698090 
1 1 1   33    6  -24 o   12.559   4.3187   26.739   17.619   26.739   17.619   0.0000   0.0000   12.559   4.3187  ?   ?  0.000000 4.318667 
1 1 1   33    6  -23 o   9.1203   3.9023   5.5677   17.006   5.5677   17.006   0.0000   0.0000   9.1203   3.9023  ?   ?  0.000000 3.902316 
1 1 1   33    6  -22 o   27.284   1.6508  103.404   12.040  111.606   19.778   98.575   15.176   27.607   2.7020   26.326   2.1655 1.281033 3.462687 
1 1 1   33    6  -21 o   23.966   1.7249   79.949   11.029   80.846   18.227   79.431   13.853   23.325   2.9773   23.627   2.2085 -0.3016872 3.706961 
1 1 1   33    6  -20 f   16.052   2.4739   37.414   10.323   37.839   17.458   37.186   12.801   15.225   4.1537   15.657   3.1531 -0.4320593 5.214920 
1 1 1   33    6  -19 o   8.3609   3.1714   8.2736   9.8052   12.126   17.343   6.4636   11.887   10.322   4.1293   8.4174   3.4005 1.904602 5.349237 
1 1 1   33    6  -18 o   14.258   2.3932   29.388   8.8401   19.035   12.677   39.189   12.334   11.232   3.6604   16.255   2.9329 -5.022688 4.690461 
1 1 1   33    6  -17 o   19.095   1.8360   50.854   9.3007   55.961   13.182   45.791   13.125   19.718   2.5486   17.655   2.8661 2.062712 3.835392 
1 1 1   33    6  -16 o   15.884   2.2330   35.932   9.2641   45.274   13.584   27.810   12.666   17.503   2.9974   13.456   3.4790 4.046965 4.592116 
1 1 1   33    6  -15 o   23.934   1.6455   79.030   10.514   80.332   17.569   78.304   13.123   23.539   2.8360   23.635   2.0888 -0.9527779E-01 3.522158 
1 1 1   33    6  -14 o   20.075   1.9110   56.208   10.180   43.010   16.084   65.027   13.148   16.722   3.6808   21.424   2.3220 -4.702707 4.352018 
1 1 1   33    6  -13 o   10.560   3.0007   16.545   8.9120   18.592   12.616   14.507   12.591   11.200   3.6517   10.258   3.6417 0.9429550 5.157238 
1 1 1   33    6  -12 o   7.4567   2.9426   5.1774   8.6940   4.6228   12.383   5.7165   12.209   8.2784   3.4221   8.4289   3.4312 -0.1505642 4.846075 
1 1 1   33    6  -11 o   27.715   1.0060  103.984   7.4886   92.581   8.7450  135.339   14.501   26.095   1.2477   31.330   1.7300 -5.234898 2.132958 
1 1 1   33    6  -10 o   4.8140   2.1236  -1.2797   5.3655  -3.5733   7.1159   1.7424   8.1683   5.1912   2.3552   6.5630   2.7514 -1.371794 3.621765 
1 1 1   33    6   -9 o   7.6668   2.6711   7.6713   6.7506   12.814   9.5276   2.4871   9.5660   9.5315   3.1766   7.1503   2.9860 2.381222 4.359676 
1 1 1   33    6   -8 o   16.011   1.6085   35.459   6.8238   35.110   9.1330   35.900   10.267   15.729   2.2238   15.800   2.5026 -0.7125473E-01 3.347896 
1 1 1   33    6   -7 o   25.608   1.1680   89.010   8.0334   80.598   10.364  101.672   12.715   24.205   1.6032   27.136   1.7539 -2.931547 2.376264 
1 1 1   33    6   -6 o   9.8667   2.5126   14.230   6.6765   16.064   8.8590   11.819   10.158   10.428   3.0011   9.3479   3.2754 1.080492 4.442417 
1 1 1   33    6   -5 o   39.246   0.9422  208.298   9.9324  203.703   15.125  211.782   13.170   38.625   1.4579   39.472   1.2422 -0.8476105 1.915387 
1 1 1   33    6   -4 o   27.106   1.0668   99.553   7.7671  109.645   11.241   90.332   10.745   28.293   1.4844   25.644   1.5675 2.648979 2.158816 
1 1 1   33    6   -3 o   8.9905   2.6115   11.711   6.6800   20.517   9.2955   2.3055   9.6061   11.746   2.9504   7.1292   2.9860 4.616631 4.197711 
1 1 1   33    6   -2 o   7.6520   2.7273   7.4113   7.0680   8.5024   10.445   6.4897   9.5996   8.6133   3.2718   7.9839   3.1093 0.6293917 4.513592 
1 1 1   33    6   -1 o   9.9421   2.6240   14.488   7.1095   15.056   9.7442   13.841   10.396   10.165   3.1991   9.8895   3.3183 0.2755203 4.609254 
1 1 1   33    6    0 o   18.723   1.4684   48.152   7.3255   60.822   10.315   35.257   10.406   20.926   1.8544   15.631   2.5676 5.294857 3.167255 
1 1 1   33    6    1 o   36.332   0.9418  178.507   9.1904  166.741   12.893  190.661   13.104   34.979   1.3723   37.431   1.3034 -2.451679 1.892651 
1 1 1   33    6    2 o   25.564   1.1627   88.695   7.9832   85.722   11.134   91.840   11.453   24.941   1.6717   25.823   1.6601 -0.8826790 2.355912 
1 1 1   33    6    3 o   16.814   1.9171   39.518   8.5032   48.778   14.625   34.790   10.451   18.183   3.1062   15.511   2.6006 2.671705 4.051160 
1 1 1   33    6    4 o   32.264   1.1789  141.324   10.216  148.839   14.720  134.339   14.191   32.892   1.6717   31.233   1.6980 1.659248 2.382813 
1 1 1   33    6    5 o   13.081   2.2124   24.440   7.4960   29.299   10.799   19.923   10.414   14.070   2.9518   11.529   3.2325 2.541031 4.377452 
1 1 1   33    6    6 o   9.8864   2.7252   14.340   7.4694   15.146   10.816   13.605   10.327   10.259   3.3829   9.8211   3.3073 0.4377089 4.730994 
1 1 1   33    6    7 o   26.165   1.4078   93.631   9.8571   88.809   16.879   96.127   12.143   24.974   2.5522   26.396   1.7222 -1.421778 3.078900 
1 1 1   33    6    8 o   32.328   1.2631  142.116   10.967  131.655   16.287  150.795   14.834   30.780   1.9805   33.106   1.6737 -2.325701 2.593022 
1 1 1   33    6    9 o   9.5343   2.8888   13.208   8.0371   16.868   12.839   10.850   10.306   10.829   3.6874   9.1286   3.2890 1.699963 4.941136 
1 1 1   33    6   10 o   23.301   1.4722   74.444   9.1664   73.152   14.358   75.332   11.909   22.724   2.3883   23.274   1.9223 -0.5502243 3.065799 
1 1 1   33    6   11 o   36.210   1.0845  177.733   10.547  192.852   16.509  167.306   13.710   37.496   1.6392   35.001   1.4584 2.495079 2.194077 
1 1 1   33    6   12 o   11.256   2.6034   18.591   7.7138   27.432   10.957   9.9048   10.861   13.547   3.0811   8.9937   3.3533 4.552755 4.553909 
1 1 1   33    6   13 o   13.190   2.4970   25.242   8.5224   22.986   12.872   27.003   11.372   12.273   3.6418   13.388   3.2051 -1.114736 4.851301 
1 1 1   33    6   14 o   12.084   2.6994   21.513   8.5404   20.788   11.095   22.567   13.378   11.728   3.3537   12.160   3.7358 -0.4318075 5.020265 
1 1 1   33    6   15 o   9.4688   2.8467   13.089   7.8268   18.227   11.264   8.2914   10.883   11.042   3.4338   8.6268   3.3243 2.415026 4.779327 
1 1 1   33    6   16 o   37.829   1.0602  194.051   10.772  214.639   15.676  175.630   14.828   39.609   1.4735   35.798   1.5421 3.811043 2.132916 
1 1 1   33    6   17 o   17.455   1.9318   42.732   8.9048   37.368   12.427   48.392   12.766   15.835   3.0324   18.251   2.6844 -2.415735 4.049842 
1 1 1   33    6   18 o   35.820   1.0899  174.196   10.486  171.467   14.037  177.642   15.772   35.378   1.4772   35.931   1.6343 -0.5522766 2.202966 
1 1 1   33    6   19 o   11.790   2.6595   20.621   8.2211   25.845   11.179   14.468   12.132   13.004   3.2181   10.108   3.5763 2.895829 4.811048 
1 1 1   33    6   20 f   5.1756   2.3946  -5.5452   7.8579 -11.7344   10.763   1.5198   11.499   5.5523   2.6409   7.4536   3.1995 -1.901329 4.148653 
1 1 1   33    6   21 o   35.214   1.1583  168.909   10.955  150.693   15.534  186.933   15.452   32.914   1.7636   36.833   1.5619 -3.919037 2.355812 
1 1 1   33    6   22 o   19.643   1.9566   54.527   10.185   65.698   13.739   40.896   15.177   21.295   2.4464   16.061   3.6064 5.234344 4.357924 
1 1 1   33    6   23 o   27.665   1.4640  105.739   10.840  110.303   13.116   95.905   19.254   28.093   1.7468   25.361   2.8775 2.731997 3.366262 
1 1 1   33    6   24 o   9.2683   3.0592   12.863   8.8443   10.168   11.528   16.718   13.788   8.9018   3.4239   10.489   3.8005 -1.586740 5.115361 
1 1 1   33    6   25 f   17.646   1.9319   44.445   9.0070   42.873   12.699   46.036   12.776   16.718   2.9352   17.410   2.8295 -0.6913090 4.076931 
1 1 1   33    6   26 o   20.037   1.7993   56.943   9.5804   50.213   14.042   62.803   13.104   17.991   3.0125   20.634   2.4098 -2.643679 3.857785 
1 1 1   33    6   27 o   14.585   2.6080   32.378   9.8416   27.454   13.154   38.640   14.833   12.720   3.6560   15.125   3.6851 -2.405339 5.190940 
1 1 1   33    6   28 o   11.166   3.0598   20.189   9.4487   26.565   11.541   7.2278   16.454   12.637   3.3471   8.8814   3.8203 3.755301 5.079182 
1 1 1   33    6   29 o   6.5631   2.9255  -0.5174   10.447  -5.6579   16.011   3.2944   13.787   7.2886   3.3881   7.8458   3.4343 -0.5572467 4.824239 
1 1 1   33    6   30 o   16.244   2.5985   40.892   10.955   44.119   14.752   36.925   16.356   16.022   3.5238   13.994   4.0924 2.027988 5.400498 
1 1 1   33    6   31 o   6.5715   2.8636   1.7337   9.4905   1.6974   13.133   1.7734   13.730   7.3714   3.2833   7.4952   3.3464 -0.1238351 4.688117 
1 1 1   33    7  -24 o   12.422   4.9188   28.530   24.371   28.530   24.371   0.0000   0.0000   12.422   4.9188  ?   ?  0.000000 4.918794 
1 1 1   33    7  -23 o   7.4276   3.4298  -6.1114   16.006  -6.1114   16.006   0.0000   0.0000   7.4276   3.4298  ?   ?  0.000000 3.429818 
1 1 1   33    7  -22 o   10.487   4.0755   16.057   16.465   16.057   16.465   0.0000   0.0000   10.487   4.0755  ?   ?  0.000000 4.075497 
1 1 1   33    7  -21 o   38.115   2.3593  209.937   24.034  209.937   24.034   0.0000   0.0000   38.115   2.3593  ?   ?  0.000000 2.359293 
1 1 1   33    7  -20 o   18.369   2.1911   48.527   10.597   65.046   18.473   40.426   12.937   20.356   3.5052   16.240   3.0785 4.116781 4.665160 
1 1 1   33    7  -19 o   10.598   3.2118   17.269   9.9339   8.6192   16.909   21.827   12.276   9.5714   3.9812   11.749   3.5726 -2.177192 5.349133 
1 1 1   33    7  -18 o   10.251   3.2027   15.914   9.7865   24.787   17.699   12.007   11.745   12.422   4.3252   9.4371   3.4934 2.984995 5.559794 
1 1 1   33    7  -17 o   11.994   3.0336   21.934   9.7797   32.846   17.683   17.125   11.738   14.098   4.2880   10.654   3.5247 3.444599 5.550721 
1 1 1   33    7  -16 o   32.693   1.3849  146.302   12.160  189.026   21.253  125.505   14.828   36.606   2.1713   30.009   1.8486 6.596985 2.851620 
1 1 1   33    7  -15 o   6.6075   2.8075   1.3250   8.6919   13.856   12.893  -9.1145   11.768   10.049   3.6699   6.1621   2.8778 3.886817 4.663682 
1 1 1   33    7  -14 f   31.173   1.3912  132.872   11.648  116.356   18.723  143.300   14.877   28.542   2.4666   32.175   1.7278 -3.632639 3.011521 
1 1 1   33    7  -13 o   16.851   2.2427   40.478   9.8984   20.978   16.146   52.219   12.529   11.815   4.1301   19.042   2.5109 -7.227555 4.833464 
1 1 1   33    7  -12 o   21.684   2.1097   66.200   12.132   68.136   20.872   65.211   14.909   20.960   3.8493   21.233   2.6735 -0.2730846 4.686679 
1 1 1   33    7  -11 o   6.3371   2.4265   4.1414   5.7739   9.3700   6.6057 -12.7867   11.886   8.1651   2.6410   5.8590   2.7834 2.306087 3.836923 
1 1 1   33    7  -10 o   23.751   1.1172   76.580   7.1272   78.892   9.1751   73.063   11.317   23.985   1.4307   22.917   1.8545 1.067633 2.342268 
1 1 1   33    7   -9 o   22.534   1.2375   69.284   7.4608   75.425   10.750   63.577   10.363   23.344   1.7268   21.385   1.8215 1.958117 2.509946 
1 1 1   33    7   -8 f   6.0845   2.5530   1.3933   7.0423   0.9175   8.8016   2.2400   11.740   6.5999   2.8152   7.6979   3.2665 -1.098005 4.312236 
1 1 1   33    7   -7 o   12.925   1.9653   23.633   6.6078   23.643   9.2534   23.622   9.4389   12.639   2.7996   12.614   2.8527 0.2448463E-01 3.996973 
1 1 1   33    7   -6 o   21.418   1.3394   62.764   7.6663   48.992   11.652   73.276   10.180   18.528   2.3976   23.040   1.6560 -4.512014 2.913943 
1 1 1   33    7   -5 o   36.049   0.9731  175.904   9.4224  184.155   12.422  164.723   14.460   36.789   1.2571   34.676   1.5526 2.113304 1.997710 
1 1 1   33    7   -4 o   19.364   1.4437   51.497   7.4550   51.133   10.341   51.891   10.758   19.085   2.0493   19.198   2.1218 -0.1128597 2.949856 
1 1 1   33    7   -3 o   18.334   1.5496   46.343   7.5591   46.727   10.088   45.851   11.415   18.217   2.1002   17.903   2.4372 0.3132820 3.217284 
1 1 1   33    7   -2 o   20.842   1.4579   59.633   8.1097   52.043   10.583   70.429   12.622   19.244   2.0806   22.398   2.1235 -3.153236 2.972907 
1 1 1   33    7   -1 o   36.877   1.0432  184.271   10.333  180.540   13.165  190.257   16.675   36.394   1.3468   37.214   1.6683 -0.8199806 2.144089 
1 1 1   33    7    0 o   22.657   1.3881   70.283   8.4062   63.480   11.188   79.105   12.739   21.318   1.9764   23.799   2.0118 -2.481339 2.820159 
1 1 1   33    7    1 o   13.876   2.1612   27.408   7.7922   27.597   10.122   27.132   12.209   13.665   2.8500   13.345   3.3974 0.3203726 4.434458 
1 1 1   33    7    2 o   15.403   1.9294   33.301   7.8072   31.879   10.164   35.346   12.192   14.793   2.6558   15.419   3.0520 -0.6263647 4.045715 
1 1 1   33    7    3 o   7.7580   2.9266   6.8561   8.3210   7.1799   9.9677   6.1115   15.114   8.2024   3.1756   9.1075   3.7740 -0.9050398 4.932318 
1 1 1   33    7    4 o   25.137   1.3803   86.444   9.2831   89.765   12.623   82.533   13.699   25.428   1.8612   24.258   2.1240 1.170378 2.824059 
1 1 1   33    7    5 o   8.7035   3.0569   10.117   8.8498   9.5118   11.477   11.005   13.899   9.0021   3.4271   9.7101   3.7526 -0.7080164 5.082064 
1 1 1   33    7    6 o   21.136   1.5338   61.478   8.6481   62.888   12.532   60.197   11.949   21.095   2.2464   20.661   2.1865 0.4340076 3.134783 
1 1 1   33    7    7 o   5.5689   2.5303  -4.0854   8.2508   9.2242   12.532 -14.2680   10.962   9.1315   3.5537   5.4196   2.6013 3.711905 4.404006 
1 1 1   33    7    8 f   11.711   2.5160   20.060   7.6780   9.0870   10.515   32.595   11.238   8.7268   3.2904   14.837   2.9241 -6.109857 4.401892 
1 1 1   33    7    9 o   23.493   1.3443   75.501   8.4473   78.586   11.974   72.445   11.918   23.760   1.8920   22.775   1.9677 0.9854126 2.729714 
1 1 1   33    7   10 o   27.040   1.2906   99.610   9.3736  104.429   13.861   95.549   12.724   27.403   1.8948   26.244   1.8164 1.159349 2.624783 
1 1 1   33    7   11 o   9.2812   3.1002   12.206   9.0737   16.554   12.585   7.5004   13.094   10.675   3.6507   8.8972   3.5778 1.777811 5.111568 
1 1 1   33    7   12 o   10.005   3.2560   14.612   10.032   8.8466   15.468   18.798   13.180   9.5579   3.8727   11.215   3.7360 -1.657489 5.381026 
1 1 1   33    7   13 o   20.493   1.8966   58.699   10.321   62.543   13.083   52.365   16.795   20.937   2.3681   18.512   3.5060 2.424566 4.230855 
1 1 1   33    7   14 f   18.854   1.8953   49.788   9.4678   51.477   13.025   47.896   13.786   18.821   2.6501   17.982   2.9572 0.8386555 3.970888 
1 1 1   33    7   15 o   15.019   2.2285   32.327   8.7174   40.272   11.368   20.987   13.582   16.604   2.6373   11.676   3.7879 4.927353 4.615615 
1 1 1   33    7   16 o   6.2650   2.7402  -0.6723   8.7617   8.2295   11.331 -13.9127   13.818   8.6244   3.3727   6.3240   3.0034 2.300395 4.516114 
1 1 1   33    7   17 o   7.4549   2.9056   5.8306   8.3880   4.9900   10.909   7.0466   13.120   7.8854   3.2305   8.7296   3.5557 -0.8442321 4.804072 
1 1 1   33    7   18 o   5.4743   2.4794  -3.3530   7.8448  -1.4588   10.654  -5.5961   11.594   6.7264   2.9786   6.4669   2.9615 0.2594757 4.200320 
1 1 1   33    7   19 o   18.847   1.6912   49.633   8.4703   57.574   11.601   40.565   12.396   20.059   2.1888   16.411   2.9193 3.647877 3.648735 
1 1 1   33    7   20 o   14.794   2.3032   31.886   8.8540   35.764   11.372   25.916   14.110   15.383   2.8575   12.596   3.8302 2.787137 4.778638 
1 1 1   33    7   21 o   8.1419   3.1079   8.2083   9.4536   20.394   12.542  -7.8264   14.386   11.281   3.6380   6.9421   3.2218 4.339069 4.859487 
1 1 1   33    7   22 o   7.9153   3.0109   7.8354   8.8535   10.819   11.138   2.7141   14.592   8.9422   3.3829   8.1754   3.5568 0.7668095 4.908650 
1 1 1   33    7   23 o   16.619   2.1023   40.021   9.1741   33.996   11.639   49.908   14.909   14.733   3.0420   17.768   3.2434 -3.035463 4.446726 
1 1 1   33    7   24 o   10.212   2.9558   16.466   8.5714   16.113   12.003   16.834   12.245   10.081   3.5582   10.252   3.5959 -0.1708632 5.058790 
1 1 1   33    7   25 o   5.4941   2.5009  -3.1498   8.1081  -4.0610   10.632  -1.8831   12.535   6.1914   2.8356   6.9796   3.1500 -0.7882113 4.238314 
1 1 1   33    7   26 o   6.5829   2.7943   2.5454   8.5956   8.2647   12.230  -3.0378   12.083   8.3789   3.4252   6.6825   3.0462 1.696417 4.583802 
1 1 1   33    7   27 o   11.257   2.7451   20.174   8.2250   20.857   11.215   19.379   12.100   11.041   3.4250   10.610   3.5798 0.4311924 4.954340 
1 1 1   33    7   28 o   10.942   3.1023   20.049   9.5364   23.463   12.779   15.758   14.326   11.431   3.6708   9.7579   3.7989 1.673045 5.282658 
1 1 1   33    7   29 o   9.5785   3.1885   15.492   9.6001   18.408   13.489   12.499   13.666   10.149   3.7464   9.0420   3.6483 1.107347 5.229342 
1 1 1   33    7   30 o   5.5743   2.6311  -7.1026   10.300  -1.6007   14.419 -12.8344   14.717   7.1421   3.2825   6.2059   2.9878 0.9361982 4.438678 
1 1 1   33    8  -22 o   11.702   4.7826   24.350   23.837   24.350   23.837   0.0000   0.0000   11.702   4.7826  ?   ?  0.000000 4.782557 
1 1 1   33    8  -21 o   6.3537   3.0830 -20.2352   16.450 -20.2352   16.450   0.0000   0.0000   6.3537   3.0830  ?   ?  0.000000 3.083013 
1 1 1   33    8  -20 o   14.132   4.2429   35.602   17.395   35.602   17.395   0.0000   0.0000   14.132   4.2429  ?   ?  0.000000 4.242895 
1 1 1   33    8  -19 o   9.3897   3.6646   11.781   13.356   15.750   17.054   5.4850   21.481   10.450   4.1220   9.6294   4.2485 0.8202868 5.919506 
1 1 1   33    8  -18 o   22.128   2.4361   71.680   14.238  108.245   19.270   27.709   21.131   26.997   2.6934   12.638   4.6843 14.35852 5.403404 
1 1 1   33    8  -17 o   18.492   2.2881   49.590   11.122   75.984   19.254   36.371   13.626   22.104   3.3479   15.118   3.4338 6.986467 4.795760 
1 1 1   33    8  -16 o   24.941   1.6659   86.713   11.096   74.617   18.885   93.090   13.712   22.011   3.2959   25.638   2.0073 -3.627281 3.859021 
1 1 1   33    8  -15 o   11.140   3.1281   19.176   9.7442   21.804   15.806   17.564   12.376   11.729   4.0871   10.706   3.6204 1.023586 5.460024 
1 1 1   33    8  -14 o   8.4223   3.1751   8.8403   9.7904   21.086   16.414   2.0771   12.198   11.651   4.1557   7.6757   3.2951 3.975629 5.303570 
1 1 1   33    8  -13 o   7.6650   3.1259   4.8571   10.156   21.105   17.492  -3.4050   12.473   11.744   4.2767   7.0013   3.1527 4.742842 5.313152 
1 1 1   33    8  -12 o   13.148   2.9633   26.181   10.214   10.900   16.894   34.986   12.824   9.9933   4.0480   15.092   3.2589 -5.098821 5.196780 
1 1 1   33    8  -11 o   16.647   2.0668   39.343   9.0423   24.367   11.423   64.476   14.798   12.548   3.3330   21.022   2.6819 -8.474644 4.278031 
1 1 1   33    8  -10 o   26.487   1.0807   95.316   7.6882   83.976   9.8669  112.841   12.266   24.690   1.4949   28.581   1.6043 -3.890606 2.192852 
1 1 1   33    8   -9 o   22.199   1.1458   67.203   6.8088   76.815   9.5539   57.281   9.7062   23.607   1.5147   20.261   1.8024 3.346489 2.354403 
1 1 1   33    8   -8 o   22.175   1.1933   67.129   7.0811   75.984   9.9914   58.193   10.037   23.451   1.5958   20.407   1.8514 3.043510 2.444199 
1 1 1   33    8   -7 f   14.933   1.8494   31.338   7.2591   38.507   9.8787   22.925   10.702   16.389   2.3082   12.254   3.2125 4.134660 3.955710 
1 1 1   33    8   -6 o   5.6150   2.4729  -1.2698   7.2464  -1.5053   11.062  -1.0928   9.5906   6.8937   3.0448   6.4910   2.8522 0.4026518 4.172005 
1 1 1   33    8   -5 o   21.942   1.4056   66.099   8.2402   62.402   10.492   72.052   13.312   21.142   1.8668   22.555   2.2265 -1.412697 2.905550 
1 1 1   33    8   -4 o   19.762   1.4054   53.658   7.4115   62.001   10.747   46.092   10.235   21.052   1.9218   18.032   2.1559 3.020317 2.888120 
1 1 1   33    8   -3 o   8.8422   2.7545   11.300   7.2446   10.232   10.732   12.194   9.8200   8.9901   3.3370   9.3399   3.2234 -0.3497953 4.639589 
1 1 1   33    8   -2 o   11.978   2.3959   20.899   7.4386   16.156   10.129   26.451   10.960   10.418   3.2588   13.216   3.1349 -2.797832 4.521895 
1 1 1   33    8   -1 o   14.994   1.8486   31.555   7.2873   32.615   10.128   30.416   10.493   14.943   2.6189   14.329   2.8267 0.6138372 3.853464 
1 1 1   33    8    0 o   11.196   2.4689   18.385   7.2248   17.217   9.8504   19.745   10.629   10.709   3.1878   11.404   3.2888 -0.6950321 4.580213 
1 1 1   33    8    1 o   6.2037   2.5758   1.9623   7.0604  -3.8748   9.8125   8.2286   10.167   6.1581   2.7824   8.4408   3.2227 -2.282763 4.257688 
1 1 1   33    8    2 o   18.037   1.7904   45.369   8.5591   42.222   12.295   48.328   11.922   16.959   2.7968   18.321   2.4871 -1.362364 3.742662 
1 1 1   33    8    3 o   14.632   1.9564   30.224   7.4960   37.708   10.387   22.090   10.829   16.156   2.4724   12.035   3.2664 4.120585 4.096581 
1 1 1   33    8    4 o   18.519   1.7032   47.654   8.3769   51.540   12.539   44.522   11.258   18.901   2.5337   17.588   2.4496 1.313753 3.524237 
1 1 1   33    8    5 o   9.6778   2.7472   13.854   7.4734   10.127   10.136   18.294   11.063   8.8650   3.2514   11.003   3.3999 -2.137735 4.704349 
1 1 1   33    8    6 o   18.348   1.7370   46.867   8.4582   43.684   11.997   50.012   11.927   17.307   2.6665   18.654   2.4389 -1.346508 3.613606 
1 1 1   33    8    7 f   9.6112   2.8899   13.644   8.0656   13.992   11.291   13.281   11.525   9.9227   3.4547   9.7802   3.4830 0.1425028 4.905701 
1 1 1   33    8    8 o   7.6087   2.9211   6.3711   8.3813   7.7228   11.759   4.9753   11.949   8.6281   3.4167   8.1615   3.3666 0.4665728 4.796649 
1 1 1   33    8    9 o   6.5905   2.7123   2.7651   7.7331  -1.5936   10.097   8.9493   12.027   6.5673   2.9043   8.9105   3.4775 -2.343223 4.530803 
1 1 1   33    8   10 o   15.583   2.0266   34.436   8.2817   38.131   10.826   29.222   12.859   16.161   2.5808   13.693   3.4870 2.468099 4.338168 
1 1 1   33    8   11 o   9.7503   2.9919   14.148   8.5839   28.656   12.624   1.6720   11.707   13.556   3.4566   7.5279   3.2298 6.027993 4.730670 
1 1 1   33    8   12 o   8.8067   3.0899   10.725   9.0411   10.515   12.083   10.991   13.629   9.1967   3.5128   9.5247   3.7061 -0.3279572 5.106351 
1 1 1   33    8   13 o   4.0729   2.0127 -17.0091   8.0556 -10.3261   11.836 -22.7771   10.995   6.0291   2.8380   4.7446   2.3459 1.284477 3.682087 
1 1 1   33    8   14 o   4.9429   2.3465  -9.1032   8.4167   0.3330   12.257 -17.5232   11.578   7.4311   3.2458   5.3030   2.5762 2.128089 4.143945 
1 1 1   33    8   15 o   21.025   1.7333   61.815   9.7013   65.039   14.608   59.271   12.976   21.043   2.6428   20.203   2.4407 0.8398781 3.597434 
1 1 1   33    8   16 o   18.910   1.7958   50.304   9.0118   48.005   13.186   52.318   12.345   17.891   2.8388   18.909   2.4912 -1.018152 3.776891 
1 1 1   33    8   17 o   5.7272   2.5890  -3.0913   8.5082 -11.8860   12.459   4.5940   11.647   6.0192   2.8567   7.8820   3.2934 -1.862784 4.359746 
1 1 1   33    8   18 o   10.950   2.9460   18.629   8.8544   12.658   12.836   24.050   12.230   9.5481   3.6269   12.170   3.5331 -2.621988 5.063329 
1 1 1   33    8   19 o   17.882   1.8088   45.346   8.5680   36.124   11.653   56.199   12.642   15.297   2.9430   19.508   2.4678 -4.211353 3.840748 
1 1 1   33    8   20 o   11.510   2.8981   20.758   8.9538   19.189   13.149   22.114   12.227   10.846   3.7307   11.567   3.5743 -0.7217264 5.166570 
1 1 1   33    8   21 o   10.584   2.9197   17.705   8.5700   16.537   11.546   19.139   12.789   10.159   3.4958   10.770   3.6801 -0.6111517 5.075854 
1 1 1   33    8   22 o   11.349   2.7954   20.277   8.4653   7.8687   11.438   35.304   12.587   8.2380   3.3329   14.718   3.2692 -6.479824 4.668657 
1 1 1   33    8   23 o   5.2887   2.4758  -6.3709   8.7958  -5.3538   11.428  -7.8494   13.778   6.2368   2.8863   6.5999   3.0925 -0.3631663 4.230137 
1 1 1   33    8   24 f   10.572   2.8933   18.069   8.4549   17.533   11.341   18.740   12.686   10.207   3.4656   10.456   3.6606 -0.2491922 5.040877 
1 1 1   33    8   25 o   5.6616   2.5486  -1.6791   8.1436  -5.2505   10.838   2.9514   12.341   6.0157   2.7934   7.4413   3.2534 -1.425601 4.288106 
1 1 1   33    8   26 o   19.549   1.7917   55.321   9.3031   61.858   13.049   48.564   13.267   20.056   2.4748   17.296   2.9625 2.760506 3.860170 
1 1 1   33    8   27 f   24.286   1.6938   84.907   10.980   70.590   15.262  100.266   15.808   21.013   2.7718   25.676   2.3172 -4.663078 3.612798 
1 1 1   33    8   28 o   8.9226   3.4196   13.299   11.474   3.9601   20.060   17.840   13.988   8.4545   3.8805   9.8460   3.7751 -1.391469 5.413853 
1 1 1   33    9  -21 o   10.993   4.7489   20.840   25.646   20.840   25.646   0.0000   0.0000   10.993   4.7489  ?   ?  0.000000 4.748884 
1 1 1   33    9  -20 o   20.570   3.5335   70.823   18.819   70.823   18.819   0.0000   0.0000   20.570   3.5335  ?   ?  0.000000 3.533499 
1 1 1   33    9  -19 f   9.1084   3.8965   8.5506   16.949   8.5506   16.949   0.0000   0.0000   9.1084   3.8965  ?   ?  0.000000 3.896463 
1 1 1   33    9  -18 o   9.1067   3.9133   7.7589   17.234   7.7589   17.234   0.0000   0.0000   9.1067   3.9133  ?   ?  0.000000 3.913295 
1 1 1   33    9  -17 o   14.130   3.5000   33.096   13.214   50.903   18.281   13.615   19.122   17.111   4.0421   10.164   4.2312 6.947278 5.851605 
1 1 1   33    9  -16 o   11.836   3.6296   23.337   12.635   18.821   17.585   28.157   18.168   10.903   4.2188   12.562   4.3817 -1.658577 6.082578 
1 1 1   33    9  -15 o   10.499   3.6265   17.510   12.430   18.653   16.643   16.068   18.694   10.892   4.1317   10.612   4.2722 0.2808466 5.943297 
1 1 1   33    9  -14 o   10.690   3.3720   18.145   10.821   20.718   16.383   16.154   14.412   11.316   4.1362   10.351   3.8621 0.9652672 5.658948 
1 1 1   33    9  -13 o   18.536   2.1152   49.409   10.342   59.012   17.412   44.175   12.856   19.276   3.4916   17.031   2.9152 2.245543 4.548640 
1 1 1   33    9  -12 o   12.426   3.0269   23.970   10.009   52.912   16.971   8.5350   12.394   18.190   3.6010   8.7306   3.4914 9.459534 5.015672 
1 1 1   33    9  -11 o   22.437   1.9681   71.314   11.741  105.500   25.781   62.369   13.187   25.618   3.8673   20.703   2.4171 4.915260 4.560485 
1 1 1   33    9  -10 o   7.8968   3.2159   5.6209   10.729   0.7327   16.485   9.2133   14.132   8.4226   3.7186   9.1859   3.7088 -0.7633190 5.252013 
1 1 1   33    9   -9 o   29.533   1.2674  119.346   10.054  100.917   13.288  144.020   15.375   26.819   1.8561   32.105   1.7902 -5.285587 2.578738 
1 1 1   33    9   -8 o   25.379   1.1604   87.835   7.9098   88.114   11.484   87.583   10.911   25.144   1.7106   25.111   1.6264 0.3226471E-01 2.360390 
1 1 1   33    9   -7 o   23.945   1.2945   78.668   8.2945   78.414   12.575   78.864   11.035   23.562   2.0062   23.774   1.7403 -0.2117729 2.655806 
1 1 1   33    9   -6 o   21.519   1.3520   63.683   7.7749   72.761   10.686   53.471   11.334   22.829   1.7562   19.326   2.2240 3.503565 2.833776 
1 1 1   33    9   -5 o   29.423   1.0886  117.772   8.6030  118.267   11.686  117.186   12.712   29.287   1.4905   29.076   1.6343 0.2106457 2.211927 
1 1 1   33    9   -4 o   7.6552   2.7731   7.5266   7.3406   7.3223   10.875   7.6977   9.9495   8.3154   3.2879   8.2094   3.1743 0.1060343 4.570193 
1 1 1   33    9   -3 o   32.912   1.0447  147.170   9.2354  146.502   12.640  147.936   13.527   32.667   1.4406   32.777   1.5365 -0.1104736 2.106209 
1 1 1   33    9   -2 o   9.4662   2.8800   13.327   7.9759   14.127   11.326   12.539   11.233   9.8908   3.4591   9.5097   3.4327 0.3810978 4.873298 
1 1 1   33    9   -1 o   18.555   1.5709   47.758   7.7552   56.134   10.877   39.099   11.060   19.907   2.0644   16.322   2.6108 3.584410 3.328338 
1 1 1   33    9    0 o   36.640   0.9853  182.146   9.6961  187.008   13.546  177.037   13.885   36.953   1.3648   35.915   1.4394 1.037727 1.983577 
1 1 1   33    9    1 o   37.651   1.1198  192.916   11.324  155.588   18.172  216.614   14.479   33.252   2.0446   39.775   1.3553 -6.523331 2.453001 
1 1 1   33    9    2 o   30.234   1.1890  124.614   9.6558  136.260   12.677  108.522   14.901   31.478   1.4994   27.770   2.0114 3.707561 2.508805 
1 1 1   33    9    3 o   9.4090   2.7530   13.181   7.3999   21.376   10.265   4.3131   10.678   11.783   3.1728   7.6924   3.1786 4.090276 4.491148 
1 1 1   33    9    4 o   20.970   1.4391   60.639   8.0563   62.952   11.045   58.011   11.776   21.132   1.9686   20.156   2.2116 0.9763279 2.960859 
1 1 1   33    9    5 o   21.874   1.4618   66.026   8.5387   60.067   12.055   72.025   12.096   20.501   2.2250   22.585   2.0152 -2.083876 3.001984 
1 1 1   33    9    6 o   25.564   1.2558   89.298   8.6226   90.524   11.845   87.917   12.576   25.485   1.7409   25.036   1.8839 0.4487209 2.565162 
1 1 1   33    9    7 o   23.024   1.4453   73.132   8.8927   76.295   12.739   70.127   12.419   23.206   2.0655   22.219   2.1062 0.9871330 2.949974 
1 1 1   33    9    8 o   10.067   2.9050   15.359   8.2904   11.305   12.019   19.039   11.451   9.2943   3.5146   11.063   3.4656 -1.769001 4.935881 
1 1 1   33    9    9 o   22.956   1.4586   72.806   8.9465   81.260   12.704   64.489   12.601   23.976   1.9908   21.196   2.2476 2.779366 3.002532 
1 1 1   33    9   10 o   10.354   2.8914   16.364   8.3491   14.892   12.459   17.564   11.248   10.077   3.6178   10.651   3.4464 -0.5741291 4.996624 
1 1 1   33    9   11 o   27.765   1.3039  105.712   9.7233   97.642   12.663  117.308   15.178   26.386   1.7975   28.808   1.9735 -2.422543 2.669392 
1 1 1   33    9   12 o   6.6312   2.7217   3.2564   7.7613  -2.2537   10.516   9.8491   11.503   6.5126   2.9166   8.8436   3.4149 -2.331038 4.490885 
1 1 1   33    9   13 o   15.546   2.0085   34.672   8.1906   29.756   11.152   40.428   12.068   13.816   3.0834   16.314   2.8584 -2.497847 4.204481 
1 1 1   33    9   14 o   10.154   2.9179   15.975   8.3803   28.891   11.558   1.6601   12.168   13.487   3.2328   7.4900   3.2533 5.997204 4.586385 
1 1 1   33    9   15 o   17.834   1.8711   45.302   8.8290   50.558   12.835   40.580   12.165   18.329   2.6868   16.256   2.8921 2.073614 3.947525 
1 1 1   33    9   16 o   5.2441   2.4450  -6.0941   8.4387  -9.7032   12.342  -2.9261   11.564   6.1248   2.8876   6.6541   3.0123 -0.5293531 4.172801 
1 1 1   33    9   17 o   6.8185   2.8258   3.5931   8.4742   9.8480   12.355  -1.9630   11.645   8.8014   3.4969   6.7758   3.0491 2.025550 4.639525 
1 1 1   33    9   18 o   6.7559   2.8177   3.3603   8.5023  -0.0444   12.422   6.3612   11.662   7.1958   3.1999   8.0153   3.3178 -0.8195162 4.609467 
1 1 1   33    9   19 f   5.9434   2.6906  -2.5538   9.2262   26.334   14.762 -21.0714   11.819   12.155   3.9494   5.0081   2.4678 7.146907 4.657015 
1 1 1   33    9   20 o   16.472   2.0812   39.853   9.0025   48.177   13.217   32.649   12.296   17.463   2.9210   13.994   3.3212 3.469608 4.422923 
1 1 1   33    9   21 o   12.252   2.9721   24.433   9.6803   28.283   14.418   21.273   13.062   12.451   3.8870   10.985   3.7194 1.465911 5.379817 
1 1 1   33    9   22 o   11.161   3.1490   20.959   9.8504   14.457   15.676   25.201   12.662   9.6096   3.8969   11.873   3.6322 -2.262902 5.327212 
1 1 1   33    9   23 o   8.9307   3.2261   12.916   9.9244   14.652   13.895   11.108   14.180   9.4589   3.7241   8.8749   3.6648 0.5839577 5.224871 
1 1 1   33    9   24 o   11.088   3.0343   20.837   9.2992   26.246   13.493   15.943   12.834   11.798   3.7702   9.5875   3.6303 2.210388 5.233841 
1 1 1   33    9   25 o   12.686   2.8481   26.669   9.4664   27.296   14.359   26.186   12.590   11.778   3.8984   11.825   3.6225 -0.4733944E-01 5.321663 
1 1 1   33    9   26 f   12.552   3.1542   27.609   10.621   19.356   20.141   30.787   12.500   9.9642   4.2546   12.883   3.5148 -2.918950 5.518655 
1 1 1   33   10  -19 o   11.541   4.9787   28.860   28.111   28.860   28.111   0.0000   0.0000   11.541   4.9787  ?   ?  0.000000 4.978668 
1 1 1   33   10  -18 o   5.1850   2.6059 -39.0507   16.158 -39.0507   16.158   0.0000   0.0000   5.1850   2.6059  ?   ?  0.000000 2.605899 
1 1 1   33   10  -17 o   8.7990   3.8304   7.3097   16.943   7.3097   16.943   0.0000   0.0000   8.7990   3.8304  ?   ?  0.000000 3.830387 
1 1 1   33   10  -16 o   27.086   2.1281  107.517   15.357  117.411   19.870   92.840   24.202   27.613   2.7143   22.812   4.1007 4.800623 4.917600 
1 1 1   33   10  -15 o   7.1558   3.1855   0.1921   12.344  -0.2128   16.195   0.7532   19.067   7.9066   3.5734   8.4932   3.8541 -0.5866642 5.255765 
1 1 1   33   10  -14 o   16.003   3.1541   41.182   13.075   40.526   17.687   41.972   19.415   14.848   4.2303   14.830   4.4893 0.1878262E-01 6.168369 
1 1 1   33   10  -13 o   8.6739   3.5014   9.2083   12.593   2.7885   16.424   18.368   19.618   8.3676   3.7022   10.782   4.3640 -2.414486 5.722802 
1 1 1   33   10  -12 o   17.667   2.8575   48.185   13.097   46.417   17.105   50.689   20.360   16.396   3.9344   16.577   4.4705 -0.1811619 5.955236 
1 1 1   33   10  -11 o   15.287   3.2308   37.414   12.851   33.896   16.828   42.334   19.903   13.784   4.1810   15.080   4.5409 -1.296087 6.172601 
1 1 1   33   10  -10 o   20.729   2.2937   62.885   12.557   72.190   18.076   54.208   17.456   21.404   3.2460   18.090   3.7170 3.314899 4.934886 
1 1 1   33   10   -9 o   16.080   2.8143   39.527   11.713   56.190   23.026   33.711   13.604   17.338   4.7870   14.315   3.5545 3.023054 5.962379 
1 1 1   33   10   -8 o   32.070   1.6403  143.805   14.082  132.000   31.170  146.832   15.784   27.756   4.3217   32.252   1.8296 -4.496342 4.693002 
1 1 1   33   10   -7 o   8.2384   3.3312   7.1402   11.419   16.540   24.576   4.5519   12.896   11.203   4.7385   8.0873   3.4272 3.116027 5.847970 
1 1 1   33   10   -6 o   12.012   2.8568   22.280   9.0824   27.670   11.045   11.027   15.960   13.252   3.1497   9.6265   3.9214 3.625078 5.029685 
1 1 1   33   10   -5 o   4.2863   2.0757 -10.9637   7.3616 -15.7913   10.328  -5.9787   10.495   4.9792   2.4222   6.0046   2.7744 -1.025407 3.682966 
1 1 1   33   10   -4 o   24.527   1.3726   83.058   9.0059   84.629   12.821   81.529   12.653   24.409   1.9724   23.947   1.9851 0.4621201 2.798431 
1 1 1   33   10   -3 o   15.757   2.3282   36.315   9.5568   39.527   13.860   33.405   13.195   15.797   3.3694   14.437   3.4500 1.360333 4.822384 
1 1 1   33   10   -2 o   16.857   1.8857   40.356   8.3913   52.242   12.161   29.555   11.593   18.870   2.4578   13.713   3.2052 5.157799 4.039045 
1 1 1   33   10   -1 o   6.4957   2.6796   2.9223   7.5699  -8.8343   11.108   13.118   10.344   5.8936   2.7663   9.4377   3.3054 -3.544165 4.310250 
1 1 1   33   10    0 o   9.9806   2.9142   15.280   8.2995   10.538   13.117   18.446   10.718   9.2067   3.6203   10.826   3.3466 -1.619495 4.930171 
1 1 1   33   10    1 o   9.3733   2.9274   13.299   8.1770   12.958   10.748   13.768   12.600   9.4333   3.3630   9.7843   3.6189 -0.3510275 4.940297 
1 1 1   33   10    2 o   18.737   1.6554   49.179   8.2455   52.498   11.580   45.766   11.743   19.004   2.3166   17.584   2.5617 1.420259 3.453897 
1 1 1   33   10    3 o   15.780   1.9735   35.610   8.1814   35.165   11.531   36.061   11.610   15.152   2.9395   15.360   2.9208 -0.2082367 4.143861 
1 1 1   33   10    4 o   21.049   1.5947   61.834   8.9485   48.327   13.081   73.715   12.268   17.898   2.8139   22.735   2.0304 -4.836935 3.469985 
1 1 1   33   10    5 o   19.970   1.6522   55.873   8.7823   37.262   11.959   77.656   12.939   15.571   2.9679   23.290   2.0907 -7.718822 3.630363 
1 1 1   33   10    6 o   13.423   2.3201   26.561   8.0619   27.070   10.835   25.930   12.067   13.121   3.1201   12.655   3.4537 0.4661131 4.654327 
1 1 1   33   10    7 o   6.0909   2.6000   1.1780   7.5172   2.3555   10.121  -0.2709   11.227   7.0809   3.0196   6.9623   3.0716 0.1186342 4.307259 
1 1 1   33   10    8 o   14.320   2.2378   30.062   8.3254   24.043   11.792   36.043   11.756   12.151   3.4515   15.255   2.9760 -3.104040 4.557332 
1 1 1   33   10    9 o   6.9820   2.9388   3.0207   9.3798   2.3017   15.322   3.4515   11.862   8.2233   3.6094   7.6599   3.2678 0.5634017 4.868936 
1 1 1   33   10   10 o   8.2757   3.0717   9.3474   9.0929   15.788   12.313   1.6216   13.486   10.066   3.5984   7.7329   3.3904 2.333143 4.943990 
1 1 1   33   10   11 o   14.400   2.2327   30.552   8.3561   27.934   11.538   33.441   12.118   13.123   3.2820   14.448   3.2064 -1.325253 4.588311 
1 1 1   33   10   12 o   11.485   2.7838   20.614   8.4978   13.752   12.121   27.246   11.917   9.5479   3.5460   12.845   3.4006 -3.297153 4.913058 
1 1 1   33   10   13 o   11.008   2.9516   19.322   8.9061   30.458   12.796   8.8577   12.404   13.481   3.5022   8.5832   3.4714 4.898113 4.931118 
1 1 1   33   10   14 o   15.741   2.0859   36.273   8.6016   34.840   12.167   37.705   12.162   14.665   3.1806   15.376   3.0525 -0.7115097 4.408404 
1 1 1   33   10   15 o   15.414   2.2222   35.282   8.9338   36.584   13.149   34.166   12.175   14.825   3.3777   14.441   3.2209 0.3832350 4.667284 
1 1 1   33   10   16 o   8.4193   3.0034   10.686   8.5731   9.9254   12.522   11.357   11.762   8.6766   3.4954   8.8654   3.4448 -0.1887760 4.907562 
1 1 1   33   10   17 o   22.838   1.6206   74.022   9.8760   88.457   16.307   65.660   12.411   24.052   2.5637   21.007   2.2339 3.044977 3.400461 
1 1 1   33   10   18 o   19.094   2.2953   54.854   11.536   69.224   20.456   48.154   13.969   19.491   4.0402   17.106   3.1566 2.384859 5.127102 
1 1 1   33   10   19 o   4.6439   2.2623 -13.2430   9.0988   10.842   14.642 -28.3949   11.613   8.8960   3.7028   4.4676   2.2404 4.428440 4.327835 
1 1 1   33   10   20 o   6.4734   2.8187   1.7886   9.1790   3.2374   15.218   0.9600   11.508   7.8775   3.5196   6.8978   3.0728 0.9797540 4.672275 
1 1 1   33   10   21 o   5.3764   2.5285  -6.2818   9.3576 -14.5171   16.427  -2.3261   11.385   6.4544   3.1196   6.4063   2.9342 0.4805613E-01 4.282669 
1 1 1   33   10   22 o   5.0866   2.4636 -12.2601   10.378 -12.8916   15.129 -11.6988   14.263   6.2512   3.0146   6.1488   2.9555 0.1023903 4.221685 
1 1 1   33   10   23 o   8.0346   3.2724   9.3862   11.112   3.8136   15.058   16.048   16.464   7.7181   3.4708   9.4333   3.9265 -1.715244 5.240569 
1 1 1   33   11  -18 o   10.852   4.7806   27.140   27.095   27.140   27.095   0.0000   0.0000   10.852   4.7806  ?   ?  0.000000 4.780621 
1 1 1   33   11  -17 o   10.759   4.1035   23.077   16.473   23.077   16.473   0.0000   0.0000   10.759   4.1035  ?   ?  0.000000 4.103516 
1 1 1   33   11  -16 o   9.6959   3.9630   16.087   16.369   16.087   16.369   0.0000   0.0000   9.6959   3.9630  ?   ?  0.000000 3.963020 
1 1 1   33   11  -15 o   9.4367   3.8998   14.013   16.075   14.013   16.075   0.0000   0.0000   9.4367   3.8998  ?   ?  0.000000 3.899785 
1 1 1   33   11  -14 o   17.662   2.8419   49.877   13.024   58.365   16.573   36.170   21.061   18.436   3.4743   12.898   4.6934 5.538225 5.839463 
1 1 1   33   11  -13 o   10.780   3.6487   20.641   12.570  -8.8892   16.586   60.491   19.268   7.0298   3.3245   18.126   4.0587 -11.09599 5.246440 
1 1 1   33   11  -12 o   11.426   3.6800   23.270   12.836   0.9539   16.706   55.432   20.056   8.0048   3.6224   16.968   4.3731 -8.963525 5.678549 
1 1 1   33   11  -11 o   5.1342   2.5212 -19.4139   11.992 -26.1673   15.005  -7.4779   19.949   5.5391   2.7391   7.8280   3.6847 -2.288890 4.591238 
1 1 1   33   11  -10 o   19.787   3.1124   63.024   15.995   75.630   24.627   53.825   21.037   19.644   4.7252   16.571   4.5758 3.073893 6.577619 
1 1 1   33   11   -9 o   6.1718   2.9808 -16.2784   14.926  -5.6771   16.204 -75.6600   38.350   7.3374   3.4100   7.7327   3.9026 -0.3953047 5.182519 
1 1 1   33   11   -8 o   7.2863   3.3214  -2.5114   14.366   8.5940   21.418 -11.5940   19.369   9.5973   4.2379   7.4982   3.5595 2.099132 5.534399 
1 1 1   33   11   -7 o   9.9805   3.8674   15.597   14.794   3.3550   22.097   25.540   19.915   9.1961   4.1634   11.760   4.5056 -2.563965 6.134714 
1 1 1   33   11   -6 o   11.071   4.2746   21.075   18.023   35.830   25.153   5.5080   25.836   13.156   5.0581   9.8415   4.4738 3.314898 6.752753 
1 1 1   33   11   -5 o   10.036   4.0029   15.089   16.248   35.280   25.404   1.1126   21.137   13.114   5.0718   8.9089   4.0486 4.205338 6.489554 
1 1 1   33   11   -4 o   12.193   3.1496   24.140   10.388   37.745   13.508   4.4550   16.249   15.127   3.4068   8.5303   3.7313 6.596295 5.052553 
1 1 1   33   11   -3 o   5.5250   2.5346  -4.0440   8.5432   2.5364   11.460 -12.2752   12.817   7.3425   3.1732   5.9831   2.8558 1.359466 4.269040 
1 1 1   33   11   -2 o   9.6260   3.0372   14.640   8.7779   5.8621   11.286   28.080   13.965   7.8631   3.2601   12.734   3.7967 -4.871305 5.004292 
1 1 1   33   11   -1 o   13.765   2.5089   28.718   8.9337   50.781   13.793   12.775   11.725   18.047   2.9473   9.2854   3.4799 8.761726 4.560248 
1 1 1   33   11    0 o   26.879   1.4351  100.602   10.323  107.418   13.583   91.281   15.885   27.457   1.8526   24.813   2.4140 2.644135 3.043002 
1 1 1   33   11    1 o   17.727   1.8020   44.859   8.4607   47.948   12.107   41.911   11.829   17.788   2.6118   16.502   2.7666 1.285576 3.804634 
1 1 1   33   11    2 o   12.340   2.5584   23.309   8.2015   18.995   11.670   27.520   11.529   10.719   3.5129   12.948   3.3041 -2.228434 4.822620 
1 1 1   33   11    3 o   13.113   2.5984   26.356   8.8280   33.891   13.462   20.670   11.693   14.213   3.5398   11.128   3.5048 3.084625 4.981329 
1 1 1   33   11    4 o   7.8553   2.9154   8.4399   8.1908   12.452   11.427   4.1994   11.747   9.1700   3.4355   7.6614   3.2598 1.508646 4.735898 
1 1 1   33   11    5 o   8.0157   2.9468   9.0118   8.3327  -8.7474   11.886   26.174   11.685   6.0334   2.8413   12.531   3.3897 -6.497778 4.422997 
1 1 1   33   11    6 o   4.9089   2.3233  -7.6154   8.1304  -3.0375   11.403 -12.3489   11.595   6.5266   2.9689   5.6042   2.6861 0.9223604 4.003688 
1 1 1   33   11    7 o   26.008   1.3920   94.221   9.6888  108.908   14.177   81.351   13.272   27.521   1.9301   23.614   2.1149 3.907021 2.863209 
1 1 1   33   11    8 o   16.675   2.1771   41.056   9.5177   45.316   15.094   38.244   12.263   16.411   3.5292   15.435   3.0660 0.9758234 4.674962 
1 1 1   33   11    9 o   11.037   3.0924   19.973   9.5341   15.837   12.205   26.447   15.271   9.8574   3.5750   12.051   4.0219 -2.193321 5.381124 
1 1 1   33   11   10 o   5.7165   2.6151  -3.4513   9.0074  -9.1659   13.610   1.0020   12.015   6.4029   3.0229   7.1555   3.1661 -0.7525997 4.377486 
1 1 1   33   11   11 o   7.4287   2.9914   6.3082   9.1675   3.3318   14.112   8.4817   12.059   7.8689   3.4587   8.3201   3.4011 -0.4512000 4.850775 
1 1 1   33   11   12 o   6.2236   2.7851  -0.9063   9.5699   0.9035   14.777  -2.2136   12.559   7.6592   3.4418   6.8266   3.1094 0.8325624 4.638400 
1 1 1   33   11   13 o   11.123   3.0135   20.510   9.2262   14.305   12.817   27.181   13.291   9.4136   3.6127   12.251   3.7157 -2.836990 5.182464 
1 1 1   33   11   14 o   10.873   3.0494   19.812   9.2660   31.639   13.049   7.7821   13.160   13.332   3.5719   8.2508   3.4773 5.081677 4.985009 
1 1 1   33   11   15 o   7.6499   3.0219   7.7910   9.1776   27.631   12.819 -13.0756   13.146   12.315   3.6292   5.8521   2.8191 6.462990 4.595426 
1 1 1   33   11   16 o   16.975   2.3556   44.266   10.451   49.594   16.183   40.455   13.688   16.500   3.7382   15.178   3.4373 1.321419 5.078308 
1 1 1   33   11   17 o   15.356   2.6638   37.754   10.589   46.046   14.065   26.906   16.087   16.286   3.3279   11.499   4.1128 4.786701 5.290594 
1 1 1   33   11   18 o   9.4082   3.1291   15.326   9.2467   7.7344   13.293   22.444   12.871   8.0633   3.4501   10.838   3.6920 -2.774459 5.053065 
1 1 1   33   11   19 o   6.4008   2.8789   0.1250   10.366  -3.1309   14.758   3.2956   14.563   6.9428   3.2358   7.5908   3.4134 -0.6480250 4.703403 
1 1 1   33   11   20 o   5.2215   2.5476 -14.6129   11.666  -8.8239   18.150 -18.6884   15.228   7.0065   3.3588   5.8107   2.8509 1.195835 4.405616 
1 1 1   33   12  -16 o   17.073   5.5432   84.090   29.082   84.090   29.082   0.0000   0.0000   17.073   5.5432  ?   ?  0.000000 5.543186 
1 1 1   33   12  -15 o   8.8302   3.7758   12.484   15.903   12.484   15.903   0.0000   0.0000   8.8302   3.7758  ?   ?  0.000000 3.775813 
1 1 1   33   12  -14 o   11.623   4.6780   33.450   22.406   33.450   22.406   0.0000   0.0000   11.623   4.6780  ?   ?  0.000000 4.677981 
1 1 1   33   12  -13 o   15.273   4.0903   46.798   17.115   46.798   17.115   0.0000   0.0000   15.273   4.0903  ?   ?  0.000000 4.090331 
1 1 1   33   12  -12 o   6.5007   2.9707  -1.6367   11.583  -2.4702   16.610  -0.8474   16.162   7.3919   3.4410   7.4710   3.4487 -0.7911253E-01 4.871745 
1 1 1   33   12  -11 o   17.664   2.9334   51.360   13.429   46.980   18.161   56.643   19.947   15.175   4.2737   16.588   4.4036 -1.412748 6.136502 
1 1 1   33   12  -10 o   6.6556   3.1037  -4.8052   13.607  -2.1691   16.115 -11.3500   25.393   7.4025   3.4264   8.0810   3.8991 -0.6784763 5.190707 
1 1 1   33   12   -9 o   13.466   3.5771   32.799   13.157   40.980   16.957   20.425   20.855   14.389   4.1553   10.414   4.3827 3.974807 6.039388 
1 1 1   33   12   -8 o   5.2303   2.5478 -15.3564   11.534 -18.1238   14.647 -10.8391   18.713   5.8558   2.8565   7.2008   3.4408 -1.344984 4.472014 
1 1 1   33   12   -7 o   6.6483   3.0505  -2.7709   12.382   3.3997   15.937 -12.1690   19.669   8.0363   3.5954   7.2972   3.4977 0.7391624 5.016067 
1 1 1   33   12   -6 o   11.284   3.9160   23.943   14.503   34.170   21.996   16.079   19.290   12.445   4.7430   9.9467   4.2020 2.498486 6.336614 
1 1 1   33   12   -5 o   16.083   3.1893   43.151   13.291   41.677   17.399   45.217   20.593   14.629   4.2046   14.603   4.6567 0.2654839E-01 6.274055 
1 1 1   33   12   -4 o   17.500   3.5006   52.730   15.879   53.780   25.210   52.040   20.444   15.154   5.1669   16.005   4.5439 -0.8505182 6.880723 
1 1 1   33   12   -3 o   8.5427   3.6620   7.8900   15.026  -0.8972   24.098   13.480   19.220   8.8007   4.1128   9.6839   4.1461 -0.8832111 5.839985 
1 1 1   33   12   -2 o   8.0871   3.4214   6.8383   12.818   23.848   16.105 -22.5567   21.171   11.237   4.1019   6.9973   3.4180 4.240035 5.339329 
1 1 1   33   12   -1 o   9.5948   3.4450   15.363   11.297   13.641   11.961   29.600   34.393   9.2374   3.5030   11.707   5.2566 -2.469780 6.316863 
1 1 1   33   12    0 o   13.925   2.8754   31.255   10.398   30.201   12.269   33.942   19.589   13.204   3.4289   12.800   4.5427 0.4044647 5.691534 
1 1 1   33   12    1 o   18.338   2.1010   49.816   10.161   56.931   12.918   38.269   16.456   19.195   2.5702   14.192   4.0920 5.002294 4.832207 
1 1 1   33   12    2 o   6.5810   2.8994   0.8853   9.9701  -4.4665   12.965   8.6302   15.597   6.6427   3.0742   8.7246   3.7351 -2.081830 4.837587 
1 1 1   33   12    3 o   20.820   1.8913   63.052   10.461   80.184   13.225   34.410   17.100   23.252   2.1417   13.213   4.2466 10.03863 4.756052 
1 1 1   33   12    4 o   11.253   3.0324   21.105   9.3719   21.665   12.129   20.275   14.763   11.030   3.5798   10.573   3.9160 0.4566956 5.305652 
1 1 1   33   12    5 o   9.1196   3.1216   13.621   9.2015   31.614   12.063 -11.4194   14.230   13.564   3.3345   6.2793   3.0005 7.284796 4.485745 
1 1 1   33   12    6 o   12.331   2.9244   25.004   9.5390   29.405   12.389   18.597   14.949   12.896   3.4913   10.208   3.9054 2.687337 5.238402 
1 1 1   33   12    7 o   13.086   3.1143   28.817   10.788   33.787   15.264   23.857   15.249   13.302   3.9701   11.173   4.0034 2.128345 5.638190 
1 1 1   33   12    8 o   5.3806   2.5560  -8.4156   10.020  -5.4655   12.061 -14.9902   18.005   6.2594   2.9199   6.7858   3.2765 -0.5263968 4.388754 
1 1 1   33   12    9 o   14.959   2.5634   35.228   9.9292   42.483   13.078   25.355   15.257   15.857   3.1812   11.388   4.0124 4.469629 5.120502 
1 1 1   33   12   10 o   12.540   3.1356   26.940   10.534   22.227   14.502   32.204   15.326   10.769   3.8983   12.780   4.0103 -2.010798 5.592845 
1 1 1   33   12   11 o   8.7824   3.3727   12.571   11.175   2.6165   15.196   24.296   16.492   7.7174   3.4770   10.968   4.1237 -3.250483 5.393939 
1 1 1   33   12   12 o   12.619   3.1640   27.679   10.704   34.295   15.265   21.279   15.014   13.122   3.9825   10.440   3.9328 2.681413 5.597031 
1 1 1   33   12   13 o   7.7967   3.1809   8.2967   10.521   19.807   14.806  -3.4437   14.953   10.113   3.8825   6.9767   3.2535 3.136288 5.065423 
1 1 1   33   12   14 o   10.636   3.1773   20.199   9.7733   20.421   13.176   19.927   14.573   10.262   3.7157   10.077   3.8557 0.1849823 5.354707 
1 1 1   33   12   15 o   6.7725   2.9726   2.8722   10.392  -4.0036   15.233   8.8579   14.212   6.9004   3.2391   8.2007   3.5389 -1.300251 4.797482 
1 1 1   33   12   16 o   10.668   3.2898   21.112   10.364   16.706   13.080   28.544   16.989   9.3803   3.6361   11.247   4.1939 -1.866982 5.550649 
1 1 1   33   12   17 o   6.1684   2.7651   0.6133   9.4753 -11.8353   12.930   15.052   13.925   5.7022   2.7589   9.0036   3.6648 -3.301386 4.587159 
1 1 1   33   13  -12 o   5.9539   2.9145 -16.1847   15.639 -16.1847   15.639   0.0000   0.0000   5.9539   2.9145  ?   ?  0.000000 2.914515 
1 1 1   33   13  -11 o   13.905   4.1388   42.185   16.605   42.185   16.605   0.0000   0.0000   13.905   4.1388  ?   ?  0.000000 4.138832 
1 1 1   33   13  -10 o   8.3183   3.3793   11.381   11.811   2.8639   16.352   20.671   17.078   7.6373   3.5047   9.8758   4.0435 -2.238485 5.350997 
1 1 1   33   13   -9 o   20.347   2.5442   66.639   13.600   56.210   17.530   82.406   21.555   16.773   3.9555   20.210   4.1109 -3.436642 5.704834 
1 1 1   33   13   -8 o   7.6586   3.3451   6.1523   13.017   8.5071   17.085   2.8936   20.098   8.3859   3.7393   8.1335   3.7859 0.2523556 5.321195 
1 1 1   33   13   -7 o   16.084   3.1285   44.911   13.029   38.909   17.487   52.400   19.534   13.252   4.2981   15.355   4.4672 -2.102814 6.199184 
1 1 1   33   13   -6 o   7.1031   3.1744   2.4608   12.388 -11.7200   16.148   22.741   19.311   6.4715   3.1192   10.302   4.2673 -3.830568 5.285737 
1 1 1   33   13   -5 o   6.7418   3.1647  -4.6756   14.543 -31.3800   20.926   20.270   20.225   6.2866   3.1299   10.006   4.2679 -3.719823 5.292572 
1 1 1   33   13   -4 o   14.875   3.8324   42.859   15.406   18.640   22.262   65.116   21.341   9.8687   4.3407   17.376   4.5273 -7.507227 6.272016 
1 1 1   33   13   -3 o   6.0344   2.8637  -7.7968   12.516  -2.8970   15.941 -15.6727   20.211   7.1790   3.3516   6.9648   3.3882 0.2142053 4.765851 
1 1 1   33   13   -2 o   14.481   4.0420   42.236   16.320   59.090   26.963   32.490   20.503   14.550   5.3081   11.750   4.5529 2.800268 6.993176 
1 1 1   33   13   -1 o   6.2082   3.0045 -13.7727   15.361  -9.0890   24.381 -16.8557   19.781   7.9248   3.8230   6.8393   3.3327 1.085505 5.071663 
1 1 1   33   13    0 o   8.0801   3.4455   8.1890   13.177   0.6266   16.859   20.060   21.123   7.6661   3.5330   10.065   4.3289 -2.398761 5.587579 
1 1 1   33   13    1 o   7.2987   3.3310   0.6277   14.503   19.590   16.482 -64.4200   30.526   10.012   4.0182   6.6477   3.3694 3.363901 5.243968 
1 1 1   33   13    2 o   6.1808   2.9138  -6.3998   12.561  -5.4484   13.554 -12.1900   33.438   6.4938   3.0505   8.6123   4.2253 -2.118533 5.211434 
1 1 1   33   13    3 o   6.7508   2.9383   3.0221   9.9674   3.7238   11.990   1.4525   17.933   7.2407   3.1852   7.8739   3.6340 -0.6331444 4.832310 
1 1 1   33   13    4 o   5.0999   2.4444  -9.1937   9.6031  -2.2434   11.985 -21.6575   16.050   6.4707   2.9809   5.8470   2.8801 0.6237640 4.144959 
1 1 1   33   13    5 o   13.754   3.0090   32.388   10.807   33.323   15.292   31.455   15.274   12.709   4.0086   12.305   4.0183 0.4041281 5.675897 
1 1 1   33   13    6 o   12.433   2.9774   26.600   9.8112   29.159   12.982   23.192   14.982   12.265   3.6616   10.621   3.9427 1.643839 5.380709 
1 1 1   33   13    7 o   15.200   2.5755   37.320   10.139   53.256   13.410   16.054   15.491   17.821   2.9015   9.3310   3.8393 8.489780 4.812390 
1 1 1   33   13    8 o   5.6912   2.6207  -2.6942   9.2517   11.963   12.006 -24.1180   14.516   8.5010   3.4233   5.3328   2.6470 3.168196 4.327347 
1 1 1   33   13    9 o   9.7574   3.3075   17.662   10.329   29.839   14.791   6.0713   14.431   11.873   3.9580   7.7946   3.4584 4.078627 5.256073 
1 1 1   33   13   10 o   14.270   2.8095   34.378   10.385   30.696   13.283   40.169   16.656   12.379   3.7055   13.542   4.1696 -1.163108 5.578235 
1 1 1   33   13   11 o   8.5285   3.1158   12.806   9.2953   10.982   12.610   14.977   13.756   8.2576   3.4366   8.9663   3.6452 -0.7087021 5.009804 
1 1 1   33   13   12 o   8.1288   3.1676   11.218   9.9672   21.279   14.666   2.5821   13.587   9.9825   3.8556   7.1568   3.2499 2.825618 5.042572 
1 1 1   33   14   -4 o   5.7849   2.7680  -7.7036   12.199 -10.6021   16.307  -4.0200   18.383   6.3644   3.0838   7.1261   3.4066 -0.7617264 4.595086 
1 1 1   33   14   -3 o   5.4040   2.6576 -16.9353   13.481 -11.6900   20.074 -21.2440   18.194   6.8727   3.3508   6.0817   3.0089 0.7909875 4.503479 
1 1 1   33   14   -2 o   7.8540   3.3211   9.5072   12.068   12.275   16.790   6.5487   17.359   8.5060   3.7543   7.9248   3.6272 0.5812068 5.220284 
1 1 1   33   14   -1 o   5.2800   2.5879 -15.2356   12.450 -24.8439   16.793  -3.5085   18.552   5.6652   2.8179   7.2127   3.4408 -1.547497 4.447396 
1 1 1   33   14    0 o   7.6261   3.4388   5.8300   14.900   8.6020   25.581   4.4068   18.330   8.6102   4.0883   7.8205   3.6319 0.7896948 5.468593 
1 1 1   33   14    1 o   10.834   4.0010   27.022   15.389   44.780   26.539   18.027   18.889   11.639   4.9236   9.2285   4.0302 2.410775 6.362679 
1 1 1   33   14    2 o   14.069   4.0222   43.182   15.961   56.754   19.442   15.120   27.956   15.509   4.4408   9.0828   4.3015 6.425965 6.182525 
1 1 1   33   14    3 o   5.8519   2.8478 -12.8109   14.311  -4.4328   17.110 -32.3200   26.110   6.9392   3.3087   6.7283   3.3719 0.2109060 4.724134 
1 1 1   33   14    4 o   8.4817   3.5426   13.144   13.468   23.587   18.640   1.7366   19.481   9.8785   4.1496   7.6740   3.6210 2.204469 5.507362 
1 1 1   34    0  -30 o   9.9778   5.0196   21.951   16.577   21.951   16.577   21.951   16.577   9.9778   5.0196   9.9778   5.0196 0.000000 0.000000 
1 1 1   34    0  -29 f   10.360   5.0304   23.235   16.395   23.235   16.395   23.235   16.395   10.360   5.0304   10.360   5.0304 0.000000 0.000000 
1 1 1   34    0  -28 o   6.0121   3.9360  -0.6434   15.771  -0.6434   15.771  -0.6434   15.771   6.0121   3.9360   6.0121   3.9360 0.000000 0.000000 
1 1 1   34    0  -27 o   32.561   1.7803  145.191   15.464  145.191   15.464  145.191   15.464   32.561   1.7803   32.561   1.7803 0.000000 0.000000 
1 1 1   34    0  -26 o   24.680   2.1707   84.884   14.134   84.884   14.134   84.884   14.134   24.680   2.1707   24.680   2.1707 0.000000 0.000000 
1 1 1   34    0  -25 o   6.1075   3.7540   4.6754   11.924   4.6754   11.924   4.6754   11.924   6.1075   3.7540   6.1075   3.7540 0.000000 0.000000 
1 1 1   34    0  -24 o   10.519   4.3973   21.789   12.444   21.789   12.444   21.789   12.444   10.519   4.3973   10.519   4.3973 0.000000 0.000000 
1 1 1   34    0  -23 o   16.758   3.0965   42.184   12.537   42.184   12.537   42.184   12.537   16.758   3.0965   16.758   3.0965 0.000000 0.000000 
1 1 1   34    0  -22 o   35.465   1.6678  171.311   15.807  171.311   15.807  171.311   15.807   35.465   1.6678   35.465   1.6678 0.000000 0.000000 
1 1 1   34    0  -21 o   4.5337   3.0963  -6.7159   11.785  -6.7159   11.785  -6.7159   11.785   4.5337   3.0963   4.5337   3.0963 0.000000 0.000000 
1 1 1   34    0  -20 o   6.8444   4.8105 -32.5100   34.188 -32.5100   34.188 -32.5100   34.188   6.8444   4.8105   6.8444   4.8105 0.000000 0.000000 
1 1 1   34    0  -19 o   30.733   1.8730  129.399   15.329  129.399   15.329  129.399   15.329   30.733   1.8730   30.733   1.8730 0.000000 0.000000 
1 1 1   34    0  -18 o   13.938   3.9439   32.406   12.787   32.406   12.787   32.406   12.787   13.938   3.9439   13.938   3.9439 0.000000 0.000000 
1 1 1   34    0  -17 o   15.597   4.2975   40.413   15.569   40.413   15.569   40.413   15.569   15.597   4.2975   15.597   4.2975 0.000000 0.000000 
1 1 1   34    0  -16 o   6.6055   4.1935   2.9261   16.179   2.9261   16.179   2.9261   16.179   6.6055   4.1935   6.6055   4.1935 0.000000 0.000000 
1 1 1   34    0  -15 o   5.6345   3.7275  -2.7263   14.726  -2.7263   14.726  -2.7263   14.726   5.6345   3.7275   5.6345   3.7275 0.000000 0.000000 
1 1 1   34    0  -14 o   3.7924   2.6951 -15.6517   11.763 -15.6517   11.763 -15.6517   11.763   3.7924   2.6951   3.7924   2.6951 0.000000 0.000000 
1 1 1   34    0  -13 o   7.3428   4.0540   10.525   11.650   10.525   11.650   10.525   11.650   7.3428   4.0540   7.3428   4.0540 0.000000 0.000000 
1 1 1   34    0  -12 o   8.8389   4.1626   15.883   11.135   15.883   11.135   15.883   11.135   8.8389   4.1626   8.8389   4.1626 0.000000 0.000000 
1 1 1   34    0  -11 f   17.477   2.7409   44.514   11.921   44.514   11.921   44.514   11.921   17.477   2.7409   17.477   2.7409 0.000000 0.000000 
1 1 1   34    0  -10 o   24.415   1.2978   81.017   8.4557   81.017   8.4557   81.017   8.4557   24.415   1.2978   24.415   1.2978 0.000000 0.000000 
1 1 1   34    0   -9 o   19.639   1.5875   53.072   8.2483   53.072   8.2483   53.072   8.2483   19.639   1.5875   19.639   1.5875 0.000000 0.000000 
1 1 1   34    0   -8 o   4.5053   2.8761   0.7165   7.7398   0.7165   7.7398   0.7165   7.7398   4.5053   2.8761   4.5053   2.8761 0.000000 0.000000 
1 1 1   34    0   -7 o   42.700   1.1377  246.018   13.027  246.018   13.027  246.018   13.027   42.700   1.1377   42.700   1.1377 0.000000 0.000000 
1 1 1   34    0   -6 o   47.400   1.1184  302.976   14.221  302.976   14.221  302.976   14.221   47.400   1.1184   47.400   1.1184 0.000000 0.000000 
1 1 1   34    0   -5 o   9.9182   3.4632   17.535   8.3472   17.535   8.3472   17.535   8.3472   9.9182   3.4632   9.9182   3.4632 0.000000 0.000000 
1 1 1   34    0   -4 o   6.0193   3.3935   6.6674   8.3719   6.6674   8.3719   6.6674   8.3719   6.0193   3.3935   6.0193   3.3935 0.000000 0.000000 
1 1 1   34    0   -3 o   4.2038   2.8521  -4.8882   9.6591  -4.8882   9.6591  -4.8882   9.6591   4.2038   2.8521   4.2038   2.8521 0.000000 0.000000 
1 1 1   34    0   -2 f   4.5596   2.9514  -0.1655   8.5199  -0.1655   8.5199  -0.1655   8.5199   4.5596   2.9514   4.5596   2.9514 0.000000 0.000000 
1 1 1   34    0   -1 o   12.028   3.4993   24.101   9.8139   24.101   9.8139   24.101   9.8139   12.028   3.4993   12.028   3.4993 0.000000 0.000000 
1 1 1   34    0    0 o   38.755   1.3402  203.108   13.913  203.108   13.913  203.108   13.913   38.755   1.3402   38.755   1.3402 0.000000 0.000000 
1 1 1   34    0    1 o   52.494   1.2739  371.846   17.937  371.846   17.937  371.846   17.937   52.494   1.2739   52.494   1.2739 0.000000 0.000000 
1 1 1   34    0    2 f   6.2583   3.6760   6.4046   10.443   6.4046   10.443   6.4046   10.443   6.2583   3.6760   6.2583   3.6760 0.000000 0.000000 
1 1 1   34    0    3 o   5.0748   3.2776   0.0672   10.430   0.0672   10.430   0.0672   10.430   5.0748   3.2776   5.0748   3.2776 0.000000 0.000000 
1 1 1   34    0    4 o   18.640   2.3987   49.402   11.463   49.402   11.463   49.402   11.463   18.640   2.3987   18.640   2.3987 0.000000 0.000000 
1 1 1   34    0    5 o   10.642   4.1051   21.185   11.128   21.185   11.128   21.185   11.128   10.642   4.1051   10.642   4.1051 0.000000 0.000000 
1 1 1   34    0    6 o   46.611   1.1943  293.160   14.929  293.160   14.929  293.160   14.929   46.611   1.1943   46.611   1.1943 0.000000 0.000000 
1 1 1   34    0    7 o   4.0207   2.7346  -4.8488   8.9931  -4.8488   8.9931  -4.8488   8.9931   4.0207   2.7346   4.0207   2.7346 0.000000 0.000000 
1 1 1   34    0    8 o   70.187   1.2013  664.113   22.631  664.113   22.631  664.113   22.631   70.187   1.2013   70.187   1.2013 0.000000 0.000000 
1 1 1   34    0    9 o   42.147   1.2399  239.943   14.009  239.943   14.009  239.943   14.009   42.147   1.2399   42.147   1.2399 0.000000 0.000000 
1 1 1   34    0   10 o   31.209   1.4157  132.170   11.812  132.170   11.812  132.170   11.812   31.209   1.4157   31.209   1.4157 0.000000 0.000000 
1 1 1   34    0   11 f   42.003   1.3482  238.609   15.175  238.609   15.175  238.609   15.175   42.003   1.3482   42.003   1.3482 0.000000 0.000000 
1 1 1   34    0   12 o   14.764   2.8862   32.849   10.193   32.849   10.193   32.849   10.193   14.764   2.8862   14.764   2.8862 0.000000 0.000000 
1 1 1   34    0   13 o   10.847   3.8526   21.264   10.223   21.264   10.223   21.264   10.223   10.847   3.8526   10.847   3.8526 0.000000 0.000000 
1 1 1   34    0   14 o   48.238   1.3892  314.695   17.965  314.695   17.965  314.695   17.965   48.238   1.3892   48.238   1.3892 0.000000 0.000000 
1 1 1   34    0   15 o   27.010   1.6630   99.730   11.960   99.730   11.960   99.730   11.960   27.010   1.6630   27.010   1.6630 0.000000 0.000000 
1 1 1   34    0   16 o   4.8054   3.1720  -1.9046   10.568  -1.9046   10.568  -1.9046   10.568   4.8054   3.1720   4.8054   3.1720 0.000000 0.000000 
1 1 1   34    0   17 o   7.6921   4.1294   11.950   11.749   11.950   11.749   11.950   11.749   7.6921   4.1294   7.6921   4.1294 0.000000 0.000000 
1 1 1   34    0   18 o   8.9517   4.0841   16.187   10.672   16.187   10.672   16.187   10.672   8.9517   4.0841   8.9517   4.0841 0.000000 0.000000 
1 1 1   34    0   19 o   5.4842   3.4385   2.5973   10.506   2.5973   10.506   2.5973   10.506   5.4842   3.4385   5.4842   3.4385 0.000000 0.000000 
1 1 1   34    0   20 o   38.523   1.5686  201.591   16.169  201.591   16.169  201.591   16.169   38.523   1.5686   38.523   1.5686 0.000000 0.000000 
1 1 1   34    0   21 o   77.965   1.5791  822.843   33.036  822.843   33.036  822.843   33.036   77.965   1.5791   77.965   1.5791 0.000000 0.000000 
1 1 1   34    0   22 o   17.603   2.9014   45.673   12.597   45.673   12.597   45.673   12.597   17.603   2.9014   17.603   2.9014 0.000000 0.000000 
1 1 1   34    0   23 o   4.3438   3.0055  -9.1644   11.978  -9.1644   11.978  -9.1644   11.978   4.3438   3.0055   4.3438   3.0055 0.000000 0.000000 
1 1 1   34    0   24 o   19.966   2.6003   57.165   13.291   57.165   13.291   57.165   13.291   19.966   2.6003   19.966   2.6003 0.000000 0.000000 
1 1 1   34    0   25 o   18.449   2.5152   48.987   11.808   48.987   11.808   48.987   11.808   18.449   2.5152   18.449   2.5152 0.000000 0.000000 
1 1 1   34    0   26 o   16.735   3.4137   43.082   13.572   43.082   13.572   43.082   13.572   16.735   3.4137   16.735   3.4137 0.000000 0.000000 
1 1 1   34    0   27 o   23.679   2.0640   78.072   12.898   78.072   12.898   78.072   12.898   23.679   2.0640   23.679   2.0640 0.000000 0.000000 
1 1 1   34    0   28 o   60.212   1.2968  490.614   20.950  490.614   20.950  490.614   20.950   60.212   1.2968   60.212   1.2968 0.000000 0.000000 
1 1 1   34    0   29 f   18.353   2.6951   49.250   12.446   49.250   12.446   49.250   12.446   18.353   2.6951   18.353   2.6951 0.000000 0.000000 
1 1 1   34    0   30 o   56.616   1.4152  435.171   21.491  435.171   21.491  435.171   21.491   56.616   1.4152   56.616   1.4152 0.000000 0.000000 
1 1 1   34    0   31 o   6.7028   4.0112   7.7223   12.863   7.7223   12.863   7.7223   12.863   6.7028   4.0112   6.7028   4.0112 0.000000 0.000000 
1 1 1   34    0   32 o   19.120   2.7900   54.029   13.437   54.029   13.437   54.029   13.437   19.120   2.7900   19.120   2.7900 0.000000 0.000000 
1 1 1   34    0   33 o   7.6525   4.2488   12.640   12.879   12.640   12.879   12.640   12.879   7.6525   4.2488   7.6525   4.2488 0.000000 0.000000 
1 1 1   34    0   34 o   27.878   1.9276  108.518   14.275  108.518   14.275  108.518   14.275   27.878   1.9276   27.878   1.9276 0.000000 0.000000 
1 1 1   34    0   35 o   16.458   3.5016   43.632   13.605   43.632   13.605   43.632   13.605   16.458   3.5016   16.458   3.5016 0.000000 0.000000 
1 1 1   34    0   36 o   22.161   2.6295   72.376   15.071   72.376   15.071   72.376   15.071   22.161   2.6295   22.161   2.6295 0.000000 0.000000 
1 1 1   34    0   37 o   5.5876   3.6229   2.1910   12.911   2.1910   12.911   2.1910   12.911   5.5876   3.6229   5.5876   3.6229 0.000000 0.000000 
1 1 1   34    1  -29 o   12.160   4.7986   21.580   23.120   21.580   23.120   0.0000   0.0000   12.160   4.7986  ?   ?  0.000000 4.798639 
1 1 1   34    1  -28 o   21.362   2.3022   65.126   13.001   46.122   18.383   84.145   18.390   16.894   4.0941   23.904   2.9253 -7.010563 5.031759 
1 1 1   34    1  -27 o   29.835   1.8429  123.689   14.696  129.539   20.523  117.534   21.053   30.072   2.5655   28.477   2.7883 1.595013 3.788923 
1 1 1   34    1  -26 o   10.194   3.5455   14.673   11.891   15.865   17.525   13.656   16.188   11.047   4.2281   10.503   4.0524 0.5443020 5.856464 
1 1 1   34    1  -25 o   8.0306   2.9999   7.5881   8.7005   6.0827   12.482   9.0108   12.134   8.5515   3.4739   9.0321   3.5018 -0.4806089 4.932671 
1 1 1   34    1  -24 o   21.063   1.6835   61.247   9.4447   62.257   13.011   60.123   13.731   20.973   2.3502   20.517   2.5465 0.4560966 3.465245 
1 1 1   34    1  -23 f   9.8060   3.0221   13.931   8.7475   7.2354   12.479   20.398   12.265   8.7947   3.5080   11.677   3.5751 -2.882693 5.008762 
1 1 1   34    1  -22 o   26.999   1.4012   99.545   10.126   75.144   14.417  123.306   14.226   23.088   2.3580   29.910   1.7789 -6.822531 2.953696 
1 1 1   34    1  -21 o   5.5355   2.5256  -4.6900   8.3291   13.921   11.805 -23.1367   11.753   10.098   3.5315   5.0326   2.4762 5.065814 4.313124 
1 1 1   34    1  -20 o   20.550   1.7007   58.236   9.3023   54.863   13.019   61.755   13.297   19.636   2.5271   20.898   2.4133 -1.262192 3.494303 
1 1 1   34    1  -19 o   14.439   3.7874   31.907   14.871   24.300   36.551   33.416   16.279   14.220   5.8789   14.702   4.0110 -0.4818602 7.116881 
1 1 1   34    1  -18 o   8.0077   3.2995   4.1099   11.462  -6.8477   15.075   19.124   17.646   7.4845   3.4081   11.793   4.2954 -4.308444 5.483210 
1 1 1   34    1  -17 o   18.594   1.9107   48.069   9.4071   53.444   13.448   42.919   13.164   19.326   2.6614   17.159   2.9633 2.166519 3.983033 
1 1 1   34    1  -16 o   9.5844   3.1247   12.945   9.2378   25.157   11.906  -5.5305   14.644   12.947   3.3854   7.5159   3.3972 5.430928 4.796050 
1 1 1   34    1  -15 o   34.792   1.2402  164.269   11.589  154.739   16.580  173.375   16.205   33.507   1.8494   35.582   1.6956 -2.075005 2.509062 
1 1 1   34    1  -14 o   37.935   1.2740  195.384   12.980  190.288   15.978  205.278   22.261   37.323   1.5939   38.436   2.1652 -1.113659 2.688542 
1 1 1   34    1  -13 f   17.331   2.2429   42.309   10.196   52.992   16.371   35.538   13.032   18.949   3.3385   15.487   3.2373 3.462307 4.650343 
1 1 1   34    1  -12 o   42.046   1.2076  239.711   13.638  243.236   22.698  237.719   17.060   42.000   2.0121   41.755   1.5212 0.2451897 2.522418 
1 1 1   34    1  -11 o   8.8821   2.9993   10.695   8.4940   6.3753   11.994   15.041   12.031   8.5764   3.4329   10.423   3.5693 -1.846086 4.952259 
1 1 1   34    1  -10 o   20.412   1.0455   56.495   5.7127   61.592   8.1371   51.540   8.0222   21.229   1.4355   19.381   1.5542 1.847807 2.115695 
1 1 1   34    1   -9 o   22.220   1.0454   66.767   6.2391   72.972   8.9980   61.021   8.6585   23.111   1.4570   21.105   1.5381 2.006407 2.118601 
1 1 1   34    1   -8 o   23.217   1.0568   72.894   6.5903   82.694   9.3701   63.302   9.2709   24.619   1.4231   21.477   1.6190 3.141941 2.155579 
1 1 1   34    1   -7 o   12.616   1.8308   22.241   6.0227   28.126   8.6497   16.703   8.3909   14.054   2.3761   10.696   2.8638 3.358673 3.721167 
1 1 1   34    1   -6 o   8.0968   2.4344   9.2412   5.7237   8.7927   8.1585   9.6758   8.0319   8.3090   2.9335   8.5368   2.9165 -0.2278519 4.136539 
1 1 1   34    1   -5 o   24.679   1.0465   82.339   6.9368   86.919   9.9209   77.957   9.7029   25.234   1.4701   23.880   1.5207 1.354399 2.115111 
1 1 1   34    1   -4 o   8.8497   2.4597   11.232   6.0571   7.8992   8.8186   14.209   8.3339   8.2086   3.0293   9.9291   2.9263 -1.720507 4.211889 
1 1 1   34    1   -3 o   15.375   1.7196   32.684   6.9794   40.391   9.2163   22.322   10.687   17.014   2.0586   12.295   3.2038 4.719495 3.808214 
1 1 1   34    1   -2 o   7.6901   2.5732   7.8725   6.2511   0.4756   8.7471   15.593   8.9367   6.5670   2.8040   10.373   3.0226 -3.806408 4.122929 
1 1 1   34    1   -1 o   15.285   1.6071   32.191   6.4992   39.101   9.2442   25.437   9.1392   16.724   2.1045   13.275   2.6559 3.448916 3.388633 
1 1 1   34    1    0 o   21.165   1.3796   61.088   7.7998   61.606   11.704   60.674   10.462   21.049   2.0980   20.959   1.8783 0.9067535E-01 2.816007 
1 1 1   34    1    1 o   18.783   1.4539   48.248   7.2776   54.371   10.673   42.927   9.9493   19.782   2.0379   17.517   2.1605 2.265287 2.969935 
1 1 1   34    1    2 o   29.057   1.0583  114.139   8.2590  115.273   12.119  113.155   11.286   29.048   1.5590   28.809   1.4633 0.2398129 2.138144 
1 1 1   34    1    3 o   34.969   0.9231  165.054   8.6703  167.747   12.394  162.473   12.134   35.162   1.3123   34.607   1.3054 0.5552216 1.850996 
1 1 1   34    1    4 o   25.218   1.2930   86.480   8.7283   99.252   12.744   75.197   11.979   26.877   1.7754   23.329   1.9290 3.547586 2.621696 
1 1 1   34    1    5 o   16.218   1.8220   36.455   7.7992   37.582   11.343   35.445   10.741   16.184   2.7051   15.732   2.6351 0.4522190 3.776423 
1 1 1   34    1    6 o   58.348   1.0515  460.309   16.479  434.288   23.216  486.737   23.396   56.463   1.5308   59.815   1.4563 -3.352638 2.112839 
1 1 1   34    1    7 o   34.796   1.0659  163.745   9.9622  158.792   14.447  168.235   13.756   34.125   1.5762   35.164   1.4565 -1.038948 2.146105 
1 1 1   34    1    8 o   29.098   1.1763  114.692   9.1929  106.605   13.254  122.188   12.762   27.846   1.7815   29.886   1.5956 -2.040010 2.391567 
1 1 1   34    1    9 o   18.079   1.6939   45.060   8.1293   36.255   11.809   52.992   11.208   15.806   2.8881   19.462   2.1816 -3.656631 3.619442 
1 1 1   34    1   10 o   5.4472   2.4252  -2.2926   7.1576  -5.0623   10.479   0.1301   9.8003   6.2974   2.8575   6.8462   2.9466 -0.5488052 4.104581 
1 1 1   34    1   11 o   5.3787   2.3835  -1.8988   6.8335   7.8198   9.6644 -11.6158   9.6635   8.3523   3.1532   5.2345   2.4933 3.117846 4.019847 
1 1 1   34    1   12 o   28.767   1.0982  112.023   8.4855  119.607   12.074  104.621   11.928   29.579   1.5249   27.629   1.6144 1.949974 2.220707 
1 1 1   34    1   13 f   17.481   1.5893   42.054   7.3805   48.335   10.364   35.592   10.513   18.587   2.1136   15.758   2.5727 2.829463 3.329581 
1 1 1   34    1   14 o   8.5153   2.7487   10.074   7.1581   2.8898   10.238   16.945   10.012   7.4614   3.1002   10.756   3.2166 -3.294560 4.467383 
1 1 1   34    1   15 o   4.7482   2.2187  -6.3456   7.0095 -22.4093   10.090   8.6376   9.7448   4.5073   2.2319   8.5490   3.1786 -4.041734 3.883893 
1 1 1   34    1   16 o   15.753   2.1322   34.927   8.7894   36.833   12.284   32.928   12.582   15.859   2.9935   14.879   3.2401 0.9799061 4.411283 
1 1 1   34    1   17 o   8.8640   3.0240   10.621   8.6352   16.099   11.989   4.7140   12.448   10.643   3.5635   8.3636   3.4415 2.279281 4.954014 
1 1 1   34    1   18 o   8.6716   3.0427   9.8529   8.7673   11.137   12.857   8.7365   11.987   9.6511   3.6385   9.0091   3.4839 0.6420240 5.037519 
1 1 1   34    1   19 o   14.382   2.4365   29.626   9.0756   32.401   12.848   26.862   12.822   14.715   3.3285   13.330   3.5266 1.384790 4.849355 
1 1 1   34    1   20 o   18.527   1.9861   47.868   9.7288   52.443   14.207   43.828   13.350   19.043   2.8664   17.332   2.9750 1.711361 4.131186 
1 1 1   34    1   21 o   40.870   1.0975  226.252   12.048  234.598   17.066  217.959   17.011   41.450   1.5329   39.930   1.5861 1.520275 2.205813 
1 1 1   34    1   22 o   7.4766   2.9678   4.9183   8.8921   17.660   12.530  -8.0093   12.621   11.035   3.6412   6.6246   3.0543 4.410673 4.752623 
1 1 1   34    1   23 f   13.375   2.7542   26.188   9.5647   32.588   14.321   21.033   12.851   14.596   3.6597   11.845   3.6651 2.750787 5.179402 
1 1 1   34    1   24 o   23.297   1.5469   74.547   9.6247   61.159   13.534   88.246   13.690   20.726   2.4804   25.155   2.0440 -4.428928 3.214021 
1 1 1   34    1   25 o   15.233   2.4197   33.322   9.5694   23.390   13.763   42.616   13.314   12.367   3.7874   16.990   3.0287 -4.622993 4.849521 
1 1 1   34    1   26 o   21.412   1.4827   63.014   8.4744   59.464   11.868   66.707   12.105   20.524   2.1866   21.792   2.0939 -1.267944 3.027456 
1 1 1   34    1   27 o   30.654   1.1564  127.742   9.5214  136.368   13.485  119.165   13.446   31.459   1.6012   29.349   1.7131 2.110518 2.344915 
1 1 1   34    1   28 o   38.226   1.0577  198.421   10.859  198.595   15.900  198.268   14.866   38.000   1.5579   38.025   1.4556 -0.2555847E-01 2.132070 
1 1 1   34    1   29 o   15.771   1.9605   35.256   8.1255   32.678   11.492   37.832   11.491   14.679   3.0157   15.949   2.7836 -1.270104 4.104014 
1 1 1   34    1   30 o   15.419   2.1096   34.127   8.5077   42.098   12.780   27.782   11.401   16.679   2.9612   13.351   3.2173 3.327590 4.372578 
1 1 1   34    1   31 o   21.765   1.5778   65.987   9.1614   69.529   13.608   63.050   12.390   21.882   2.3522   20.899   2.2423 0.9823570 3.249742 
1 1 1   34    1   32 o   11.703   2.6915   20.949   8.2835   22.440   12.421   19.755   11.116   11.707   3.6001   11.089   3.4051 0.6174622 4.955329 
1 1 1   34    1   33 o   14.961   2.3376   33.170   9.0864   23.424   13.066   42.298   12.645   11.809   3.7025   16.499   2.9623 -4.689841 4.741688 
1 1 1   34    1   34 o   12.058   2.8849   22.998   9.2178   11.263   13.124   34.424   12.950   9.1093   3.6088   14.438   3.3962 -5.328407 4.955575 
1 1 1   34    1   35 o   4.7661   2.3196 -14.0012   9.5012 -26.2309   13.548  -2.1649   13.328   5.1811   2.5692   7.0812   3.2168 -1.900078 4.116894 
1 1 1   34    1   36 o   8.0737   3.2002   8.5704   10.325   0.0110   16.435   14.152   13.271   7.8692   3.5737   9.4630   3.6641 -1.593877 5.118335 
1 1 1   34    2  -27 o   7.0988   3.1454  -1.4376   11.899 -19.6983   16.403   18.843   17.287   6.5619   3.1580   11.325   4.2290 -4.763546 5.277980 
1 1 1   34    2  -26 o   24.866   2.0624   87.065   13.650   81.906   19.451   92.071   19.161   23.401   3.1768   25.029   2.9042 -1.628456 4.304220 
1 1 1   34    2  -25 o   32.884   1.7029  149.492   14.989  176.350   22.048  126.412   20.439   35.286   2.3396   29.679   2.5900 5.607500 3.490252 
1 1 1   34    2  -24 o   10.622   3.2160   16.835   9.9634   11.669   16.540   19.777   12.482   10.207   4.0488   11.439   3.6231 -1.232430 5.433225 
1 1 1   34    2  -23 o   11.438   2.8857   19.473   8.8649   9.1034   12.661   29.445   12.416   9.1374   3.5675   13.917   3.3598 -4.779588 4.900529 
1 1 1   34    2  -22 o   9.8745   3.0726   14.189   9.0176   8.4148   12.665   20.126   12.843   9.0263   3.5549   11.588   3.6755 -2.562088 5.113376 
1 1 1   34    2  -21 o   26.156   1.4361   93.606   10.051   99.913   14.124   87.136   14.305   26.809   1.9754   24.946   2.1562 1.863195 2.924248 
1 1 1   34    2  -20 o   30.874   1.2711  129.567   10.541  126.540   14.705  132.766   15.118   30.272   1.8169   31.007   1.8233 -0.7350388 2.574026 
1 1 1   34    2  -19 o   11.168   2.8620   18.413   8.6243   18.511   11.859   18.304   12.564   11.199   3.5299   11.182   3.6441 0.1691055E-01 5.073424 
1 1 1   34    2  -18 o   23.420   2.0272   76.381   12.626   67.273   20.511   81.939   16.022   21.094   3.7581   24.038   2.5190 -2.944664 4.524177 
1 1 1   34    2  -17 o   11.774   3.0744   20.607   9.8278   13.627   15.681   25.122   12.612   10.541   4.0077   12.882   3.5372 -2.340474 5.345417 
1 1 1   34    2  -16 o   17.516   2.4189   43.641   11.077   44.724   13.652   41.555   18.949   17.480   3.0168   16.245   4.2821 1.234892 5.238039 
1 1 1   34    2  -15 o   23.764   1.7020   77.796   10.792   76.044   13.994   80.367   16.951   23.270   2.2678   23.714   2.7101 -0.4436893 3.533747 
1 1 1   34    2  -14 o   33.549   1.2732  152.910   11.473  142.000   16.967  162.101   15.573   32.013   1.9830   34.394   1.6858 -2.381210 2.602726 
1 1 1   34    2  -13 f   27.392   1.5139  102.709   11.095   98.695   14.154  109.107   17.870   26.668   1.9904   27.840   2.4137 -1.172482 3.128531 
1 1 1   34    2  -12 o   9.4405   3.1920   12.294   9.6204   9.8584   11.978   16.721   16.148   9.2329   3.5045   11.187   4.1037 -1.953671 5.396504 
1 1 1   34    2  -11 o   12.630   2.7314   23.314   8.9960   26.865   12.399   19.367   13.072   13.354   3.4369   11.487   3.7151 1.866289 5.061000 
1 1 1   34    2  -10 o   31.666   0.8721  135.373   7.4173  132.002   11.039  138.147   10.015   31.163   1.3188   31.922   1.1681 -0.7583256 1.761741 
1 1 1   34    2   -9 f   20.878   1.1574   59.255   6.4647   61.836   9.7058   57.197   8.6671   21.177   1.7213   20.400   1.5945 0.7765675 2.346314 
1 1 1   34    2   -8 o   51.653   0.7910  359.835   10.974  367.778   15.690  352.229   15.354   52.108   1.1211   50.994   1.1210 1.113365 1.585389 
1 1 1   34    2   -7 o   34.406   0.8663  159.790   8.0058  162.623   11.618  157.228   11.047   34.615   1.2496   34.048   1.2080 0.5673218 1.738071 
1 1 1   34    2   -6 o   18.818   1.3231   48.346   6.6448   47.724   9.4865   48.944   9.3103   18.526   1.9350   18.784   1.8702 -0.2582188 2.691125 
1 1 1   34    2   -5 o   40.862   0.8319  225.267   9.1303  225.416   13.071  225.126   12.759   40.776   1.1935   40.758   1.1655 0.1731491E-01 1.668173 
1 1 1   34    2   -4 o   14.473   1.7851   29.130   6.7923   37.649   10.449   22.896   8.9384   16.255   2.4711   12.529   2.7331 3.726555 3.684628 
1 1 1   34    2   -3 o   37.958   0.8770  194.481   8.9415  209.185   12.732  180.170   12.561   39.278   1.2068   36.429   1.2837 2.848518 1.761907 
1 1 1   34    2   -2 o   35.919   0.8998  174.188   8.6811  176.296   12.358  172.134   12.198   36.038   1.2767   35.611   1.2753 0.4275284 1.804502 
1 1 1   34    2   -1 o   27.556   1.0404  102.702   7.7000  104.098   10.960  101.340   10.820   27.604   1.4837   27.234   1.4849 0.3695431 2.099058 
1 1 1   34    2    0 o   21.459   1.3289   62.792   7.6219   66.672   10.650   58.719   10.912   21.972   1.8211   20.551   2.0023 1.421160 2.706623 
1 1 1   34    2    1 o   36.518   0.9081  180.069   8.9070  181.694   12.592  178.442   12.600   36.585   1.2815   36.252   1.2941 0.3327179 1.821221 
1 1 1   34    2    2 o   20.406   1.3868   56.883   7.5561   54.082   11.159   59.254   10.268   19.665   2.1477   20.690   1.8679 -1.025393 2.846334 
1 1 1   34    2    3 o   20.512   1.3879   57.478   7.6013   66.319   11.432   50.472   10.177   21.862   1.9680   19.032   2.0218 2.829737 2.821468 
1 1 1   34    2    4 o   20.541   1.4036   57.664   7.6973   40.741   11.199   72.819   10.597   16.893   2.5473   22.997   1.7283 -6.103983 3.078280 
1 1 1   34    2    5 o   24.726   1.2244   82.930   8.1314   73.788   12.047   90.582   11.021   23.068   1.9630   25.703   1.6044 -2.635437 2.535233 
1 1 1   34    2    6 o   24.262   1.2693   80.120   8.2427   72.589   10.903   90.166   12.593   22.940   1.7836   25.557   1.8470 -2.617609 2.567563 
1 1 1   34    2    7 o   18.357   1.6208   46.401   7.9094   56.741   12.130   38.754   10.432   20.084   2.2896   16.507   2.4253 3.577616 3.335274 
1 1 1   34    2    8 o   7.5746   2.7763   6.8032   7.3882   5.8260   11.227   7.5498   9.8124   8.2758   3.3182   8.3096   3.1676 -0.3379250E-01 4.587396 
1 1 1   34    2    9 f   10.055   2.6960   14.752   7.4303   20.691   11.788   10.837   9.5711   11.785   3.4823   9.0597   3.1792 2.725083 4.715250 
1 1 1   34    2   10 o   12.930   2.2979   23.893   7.6877   6.1981   11.437   38.479   10.384   8.3916   3.3545   16.440   2.4242 -8.048740 4.138839 
1 1 1   34    2   11 o   31.831   1.0748  137.175   9.1889  137.440   14.011  136.975   12.172   31.647   1.6540   31.710   1.4292 -0.6258965E-01 2.185943 
1 1 1   34    2   12 o   10.182   2.7260   15.162   7.6030   24.875   11.786   8.2401   9.9500   12.867   3.3703   8.4867   3.2006 4.380032 4.647861 
1 1 1   34    2   13 f   24.413   1.3335   81.285   8.7107   79.325   13.214   82.790   11.584   23.856   2.0833   24.497   1.7725 -0.6411304 2.735295 
1 1 1   34    2   14 o   12.958   2.3818   24.118   7.9842   24.425   12.280   23.893   10.509   12.722   3.4890   12.670   3.1109 0.5266571E-01 4.674529 
1 1 1   34    2   15 o   5.4584   2.5118  -5.6551   8.4794   14.488   14.984 -15.1439   10.284   10.610   3.9422   5.1230   2.4742 5.487242 4.654314 
1 1 1   34    2   16 o   24.472   1.5311   82.096   10.014   67.527   16.254   91.008   12.712   21.636   2.8677   25.652   1.8577 -4.015997 3.416816 
1 1 1   34    2   17 o   10.487   2.8258   16.160   8.1388   28.358   12.257   6.5412   10.885   13.729   3.3530   8.3184   3.2893 5.410595 4.697031 
1 1 1   34    2   18 o   30.771   1.1724  128.432   9.6898  122.303   14.485  133.396   13.036   29.768   1.8204   31.243   1.5535 -1.474384 2.393152 
1 1 1   34    2   19 o   7.3833   2.9388   4.7025   8.7413   9.5534   13.452   1.1573   11.500   9.4239   3.6778   7.5020   3.2094 1.921912 4.881244 
1 1 1   34    2   20 o   26.799   1.5289   98.445   10.959   99.098   16.531   97.933   14.638   26.532   2.3439   26.507   2.0726 0.2497482E-01 3.128772 
1 1 1   34    2   21 o   19.713   1.9246   54.137   10.060   51.339   14.925   56.466   13.619   18.687   3.0810   19.844   2.6192 -1.156685 4.043857 
1 1 1   34    2   22 o   5.8852   2.6187  -2.3018   8.3322  -1.1048   12.524  -3.2525   11.161   7.4306   3.2623   6.7237   3.0084 0.7068577 4.437694 
1 1 1   34    2   23 o   20.939   1.7704   60.807   9.8637   66.606   13.905   54.934   13.994   21.627   2.4361   19.466   2.7534 2.160921 3.676389 
1 1 1   34    2   24 o   19.355   1.6623   51.875   8.5579   47.796   11.882   56.272   12.336   18.237   2.4908   19.875   2.3568 -1.637625 3.429125 
1 1 1   34    2   25 o   14.308   2.2289   29.337   8.2868   24.498   11.745   34.135   11.694   12.620   3.3919   15.117   2.9861 -2.496669 4.519037 
1 1 1   34    2   26 o   6.1729   2.6493   0.5034   7.8819  -3.7537   11.272   4.5761   11.025   6.6293   2.9900   7.8570   3.2366 -1.227762 4.406319 
1 1 1   34    2   27 o   22.666   1.4727   70.885   8.9173   62.661   12.562   79.237   12.660   20.924   2.2718   23.706   2.0072 -2.782841 3.031488 
1 1 1   34    2   28 o   12.201   2.5776   22.221   8.1827   16.424   11.372   28.444   11.783   10.387   3.4707   13.486   3.2837 -3.098942 4.777914 
1 1 1   34    2   29 o   11.167   2.7279   18.987   8.1117   18.847   11.258   19.138   11.698   10.934   3.4383   11.003   3.5098 -0.6893539E-01 4.913270 
1 1 1   34    2   30 o   8.5286   2.9333   10.555   8.1284   10.718   11.656   10.400   11.341   8.9901   3.4464   8.8814   3.4006 0.1087389 4.841691 
1 1 1   34    2   31 o   20.109   1.7152   57.080   9.1753   56.999   14.374   57.135   11.920   19.309   2.8578   19.756   2.2887 -0.4468517 3.661332 
1 1 1   34    2   32 o   21.897   1.9939   69.065   11.598  114.700   20.012   45.982   14.233   27.473   2.7488   16.920   3.2499 10.55351 4.256512 
1 1 1   34    2   33 o   19.008   2.0316   52.567   10.211   42.304   15.690   60.108   13.450   15.614   3.7814   19.895   2.5775 -4.281509 4.576333 
1 1 1   34    2   34 f   11.421   3.1320   21.633   9.8955   17.888   14.099   25.269   13.892   10.262   3.8217   11.848   3.8297 -1.585832 5.410343 
1 1 1   34    2   35 o   9.0620   3.2101   13.289   9.7778   38.546   14.616  -7.1708   13.155   14.678   3.7066   6.4107   3.0095 8.267114 4.774519 
1 1 1   34    3  -26 o   16.227   4.2374   44.372   18.669   44.372   18.669   0.0000   0.0000   16.227   4.2374  ?   ?  0.000000 4.237383 
1 1 1   34    3  -25 o   23.344   2.4393   78.621   15.069   79.040   26.203   78.414   18.420   21.589   4.6557   22.866   3.0773 -1.276978 5.580821 
1 1 1   34    3  -24 o   17.007   2.8834   42.982   12.700   36.620   17.953   49.357   17.970   14.905   4.2672   17.597   3.9040 -2.692826 5.783659 
1 1 1   34    3  -23 o   8.1272   3.1348   7.3457   9.6846  -4.3166   16.653   13.305   11.905   8.0335   3.6278   9.8238   3.5354 -1.790284 5.065582 
1 1 1   34    3  -22 o   6.4581   2.8363  -1.1120   9.4728   0.2778   15.771  -1.8964   11.848   8.3904   3.6728   7.0846   3.1390 1.305786 4.831452 
1 1 1   34    3  -21 o   17.711   1.9951   44.057   9.3252   44.125   13.120   43.989   13.256   17.310   2.9263   17.264   2.9657 0.4664803E-01 4.166370 
1 1 1   34    3  -20 o   10.074   3.0095   14.948   8.7677   28.968   12.192  -0.0670   12.618   13.816   3.3255   7.5894   3.3047 6.226773 4.688286 
1 1 1   34    3  -19 o   16.938   2.0761   40.389   9.2474   41.640   13.121   39.155   13.035   16.799   3.0190   16.240   3.1015 0.5588741 4.328222 
1 1 1   34    3  -18 o   20.297   1.7646   57.069   9.5240   43.133   13.177   72.312   13.781   17.140   2.9698   22.638   2.2984 -5.497877 3.755307 
1 1 1   34    3  -17 o   16.946   2.4899   41.124   10.995   54.654   16.034   29.116   15.106   19.221   3.2197   13.712   3.9103 5.509217 5.065250 
1 1 1   34    3  -16 o   12.481   3.1651   23.329   10.626   31.699   19.784   19.936   12.597   14.177   4.5689   11.562   3.6371 2.614717 5.839791 
1 1 1   34    3  -15 o   22.527   1.7870   70.192   10.723   61.376   16.475   76.672   14.125   20.474   3.0922   23.342   2.2822 -2.867725 3.843200 
1 1 1   34    3  -14 o   17.395   2.4573   43.184   11.161   40.780   13.587   48.171   19.573   16.589   3.1648   17.506   4.2134 -0.9169292 5.269639 
1 1 1   34    3  -13 o   13.899   2.8899   28.433   10.436   24.885   12.595   36.203   18.642   12.805   3.5425   15.122   4.3540 -2.316799 5.613060 
1 1 1   34    3  -12 o   30.088   1.4335  123.447   11.585  118.310   14.973  131.110   18.288   29.224   1.9181   30.604   2.2404 -1.379612 2.949335 
1 1 1   34    3  -11 o   15.837   2.4948   35.965   10.261   30.008   13.292   44.752   16.142   14.052   3.5272   17.179   3.6129 -3.127712 5.049156 
1 1 1   34    3  -10 f   24.347   0.9375   80.125   6.1309   85.742   8.5142   74.075   8.8355   25.088   1.2676   23.271   1.4204 1.816818 1.903789 
1 1 1   34    3   -9 o   20.016   1.1456   54.496   6.1333   54.949   8.7518   54.059   8.5979   19.965   1.6467   19.807   1.6306 0.1583977 2.317471 
1 1 1   34    3   -8 o   20.662   1.2124   58.144   6.6989   63.448   10.136   54.029   8.9264   21.420   1.7778   19.782   1.6965 1.638384 2.457331 
1 1 1   34    3   -7 o   15.560   1.5566   33.401   6.4183   23.068   9.5691   41.851   8.6534   12.497   2.9058   17.334   1.8892 -4.837070 3.465977 
1 1 1   34    3   -6 o   9.9758   2.4038   14.452   6.3647   6.5793   9.5948   20.639   8.5055   8.0244   3.1131   11.863   2.7266 -3.838233 4.138373 
1 1 1   34    3   -5 o   22.811   1.1709   70.755   7.1497   79.273   10.511   63.421   9.7536   24.010   1.6397   21.442   1.7077 2.568266 2.367521 
1 1 1   34    3   -4 o   30.325   1.1339  124.646   9.2354  119.325   13.563  129.246   12.611   29.447   1.7223   30.765   1.5261 -1.317774 2.301190 
1 1 1   34    3   -3 o   17.795   1.4613   43.458   6.9229   43.810   9.8059   43.108   9.7751   17.668   2.1080   17.520   2.1205 0.1483078 2.989964 
1 1 1   34    3   -2 o   9.6060   2.4774   13.415   6.4336   14.049   8.9988   12.751   9.2015   9.8671   3.0692   9.5142   3.1194 0.3529291 4.376160 
1 1 1   34    3   -1 o   6.8513   2.5882   5.0539   6.5136   7.2079   9.3214   2.9984   9.1057   8.1083   3.0882   7.1342   2.9404 0.9740648 4.264154 
1 1 1   34    3    0 o   14.176   1.8667   28.098   6.9345   21.567   9.4657   35.663   10.188   12.075   2.9449   15.784   2.4853 -3.708823 3.853442 
1 1 1   34    3    1 o   31.519   0.9777  134.332   8.2766  145.069   11.705  123.595   11.705   32.658   1.3344   30.111   1.4472 2.547333 1.968548 
1 1 1   34    3    2 o   10.993   2.3563   17.465   6.7482   18.835   9.5401   16.093   9.5468   11.273   3.0685   10.480   3.1425 0.7930737 4.392165 
1 1 1   34    3    3 o   13.800   1.9065   26.698   6.8781   19.074   9.6447   34.589   9.8116   11.340   3.0848   15.561   2.4267 -4.221449 3.924881 
1 1 1   34    3    4 o   26.772   1.1501   97.175   8.2703   89.142   11.959  104.537   11.449   25.423   1.7622   27.620   1.5496 -2.196800 2.346668 
1 1 1   34    3    5 o   23.806   1.4611   77.565   9.2976   69.741   14.035   83.684   12.412   22.221   2.3891   24.577   1.8948 -2.355980 3.049270 
1 1 1   34    3    6 o   23.025   1.3362   72.353   8.2282   50.770   11.932   91.920   11.362   18.919   2.4023   25.860   1.6443 -6.941002 2.911162 
1 1 1   34    3    7 o   33.443   0.9895  151.273   8.8885  151.224   12.633  151.320   12.508   33.315   1.4119   33.330   1.3972 -0.1554108E-01 1.986322 
1 1 1   34    3    8 o   37.139   0.9475  186.453   9.4509  195.963   13.430  177.122   13.302   37.958   1.3173   36.068   1.3732 1.890587 1.902824 
1 1 1   34    3    9 o   10.096   2.7410   14.932   7.6241   0.9141   10.768   29.024   10.796   7.2497   3.1036   14.026   2.9589 -6.776222 4.288072 
1 1 1   34    3   10 f   38.911   0.9909  204.811   10.356  192.955   15.575  214.208   13.866   37.575   1.5432   39.690   1.3007 -2.115120 2.018238 
1 1 1   34    3   11 o   26.497   1.2495   95.386   8.8929   95.068   13.605   95.623   11.751   26.172   1.9494   26.363   1.6681 -0.1903915 2.565668 
1 1 1   34    3   12 o   21.254   1.4983   61.974   8.4986   78.946   12.943   49.109   11.268   23.797   2.0448   18.634   2.3002 5.162767 3.077679 
1 1 1   34    3   13 o   36.189   1.0565  177.350   10.269  169.497   15.675  183.255   13.593   35.166   1.6595   36.680   1.3797 -1.513885 2.158145 
1 1 1   34    3   14 o   24.213   1.3907   80.129   9.0064   92.336   14.046   71.606   11.737   25.745   2.0482   22.695   1.9441 3.050148 2.823980 
1 1 1   34    3   15 o   11.963   3.0265   21.295   9.7319   23.042   15.044   20.038   12.762   12.356   3.9844   11.596   3.6625 0.7595367 5.411920 
1 1 1   34    3   16 o   13.593   2.4351   26.609   8.5639   24.997   12.970   27.855   11.403   12.812   3.6128   13.645   3.1716 -0.8332987 4.807474 
1 1 1   34    3   17 o   31.918   1.1560  138.221   9.9105  137.040   15.051  139.125   13.168   31.513   1.7855   31.898   1.5370 -0.3845634 2.355962 
1 1 1   34    3   18 o   6.5296   2.7645   1.2070   8.3782   9.1878   13.101  -4.3157   10.898   9.2617   3.6253   6.4990   2.9348 2.762716 4.664296 
1 1 1   34    3   19 o   15.140   2.1408   32.466   8.4626   27.136   12.529   36.938   11.476   13.339   3.4657   15.903   2.7883 -2.563941 4.448099 
1 1 1   34    3   20 o   23.511   1.4559   75.812   9.1487   67.128   13.704   82.794   12.288   21.738   2.3864   24.404   1.8894 -2.666010 3.043808 
1 1 1   34    3   21 o   19.192   1.9481   51.552   9.9030   41.962   14.236   60.542   13.784   16.685   3.2936   20.531   2.5549 -3.846191 4.168388 
1 1 1   34    3   22 o   14.402   2.3443   29.870   8.7568   7.3504   13.283   47.181   11.646   8.8941   3.5940   18.119   2.4563 -9.224657 4.353232 
1 1 1   34    3   23 o   11.338   3.2562   19.580   10.439   11.474   13.666   30.936   16.175   9.6805   3.7266   13.880   4.0727 -4.199722 5.520392 
1 1 1   34    3   24 o   31.570   1.3318  136.264   11.293  153.140   15.938  119.251   16.003   33.185   1.7948   29.113   2.0598 4.071798 2.732068 
1 1 1   34    3   25 o   9.1473   2.9585   12.267   8.2898   10.629   11.876   13.822   11.576   9.1621   3.4867   9.8255   3.4916 -0.6633434 4.934411 
1 1 1   34    3   26 o   8.1948   3.0007   8.8140   8.6281   6.1876   12.404   11.276   12.010   8.3638   3.4377   9.2651   3.5109 -0.9013090 4.913711 
1 1 1   34    3   27 o   13.392   2.5874   26.835   8.9696   34.294   13.289   20.592   12.157   14.669   3.4335   11.353   3.5733 3.315408 4.955523 
1 1 1   34    3   28 o   24.943   1.3558   85.927   9.0491   88.148   12.851   83.741   12.745   24.914   1.9356   24.254   1.9735 0.6598339 2.764254 
1 1 1   34    3   29 o   16.371   1.9953   38.603   8.5918   26.585   12.078   50.912   12.224   12.730   3.4475   18.477   2.5295 -5.747049 4.275958 
1 1 1   34    3   30 o   30.347   1.1942  126.569   9.7341  139.226   14.211  115.382   13.360   31.433   1.6895   28.558   1.7502 2.874283 2.432619 
1 1 1   34    3   31 o   17.880   2.1461   46.926   10.101   53.357   14.773   41.281   13.842   18.280   3.1209   15.831   3.3593 2.448932 4.585263 
1 1 1   34    3   32 o   27.618   1.5014  107.154   11.095   83.853   16.319  127.185   15.131   23.372   2.6463   29.703   1.9067 -6.331097 3.261619 
1 1 1   34    3   33 o   5.7548   2.6464  -3.8163   9.3896   0.7765   12.952  -8.9042   13.632   7.2644   3.2463   6.3791   3.0159 0.8853064 4.430996 
1 1 1   34    4  -25 o   9.4106   3.9093   9.0195   16.274   9.0195   16.274   0.0000   0.0000   9.4106   3.9093  ?   ?  0.000000 3.909251 
1 1 1   34    4  -24 o   22.676   3.1499   78.328   18.667   78.328   18.667   0.0000   0.0000   22.676   3.1499  ?   ?  0.000000 3.149935 
1 1 1   34    4  -23 o   5.8385   2.7536 -10.1705   11.239  -4.6027   16.298 -15.2198   15.520   7.8212   3.5546   6.6457   3.1639 1.175464 4.758698 
1 1 1   34    4  -22 o   20.056   2.0008   56.794   10.634   55.470   17.855   57.522   13.238   18.810   3.6659   19.902   2.5339 -1.091921 4.456380 
1 1 1   34    4  -21 o   18.218   2.1982   47.291   10.539   42.107   17.657   50.159   13.135   16.128   4.0745   18.498   2.7254 -2.369627 4.901978 
1 1 1   34    4  -20 o   23.453   1.7723   76.467   11.082   79.500   18.552   74.784   13.819   23.179   3.0543   22.946   2.2721 0.2331200 3.806738 
1 1 1   34    4  -19 o   22.220   1.6340   68.252   9.6832   65.615   13.650   70.924   13.739   21.430   2.4135   22.336   2.3241 -0.9058514 3.350617 
1 1 1   34    4  -18 o   36.135   1.1689  177.455   11.345  179.576   15.891  175.251   16.201   36.145   1.6369   35.680   1.6905 0.4652519 2.353127 
1 1 1   34    4  -17 o   5.1102   2.4022  -8.0518   8.4296  -1.9856   12.197 -13.5992   11.664   7.1941   3.1863   5.7175   2.7277 1.476640 4.194363 
1 1 1   34    4  -16 o   42.607   1.3130  247.277   15.026  237.548   21.728  256.195   20.802   41.408   1.9536   43.104   1.7968 -1.696468 2.654259 
1 1 1   34    4  -15 o   26.498   1.5272   96.378   10.823   81.727   16.508  107.422   14.333   23.896   2.6148   27.803   1.9313 -3.906996 3.250655 
1 1 1   34    4  -14 o   26.979   1.5560   99.949   11.227   87.257   17.706  108.485   14.520   24.649   2.7196   27.940   1.9470 -3.290731 3.344676 
1 1 1   34    4  -13 o   7.6012   3.0376   5.0028   9.3739  -3.8239   12.520   16.263   14.141   7.0683   3.1728   10.813   3.8572 -3.744483 4.994466 
1 1 1   34    4  -12 o   6.5899   2.8257   0.4964   8.9515 -11.9589   13.665   9.8576   11.847   6.5250   3.0645   9.1674   3.4839 -2.642378 4.639910 
1 1 1   34    4  -11 o   11.849   2.1512   20.075   6.5941   20.517   7.4343   18.441   14.279   11.902   2.4083   11.293   3.8876 0.6082811 4.573157 
1 1 1   34    4  -10 o   15.874   1.5961   34.835   6.7130   34.317   9.4676   35.358   9.5199   15.506   2.3467   15.754   2.3193 -0.2478886 3.299411 
1 1 1   34    4   -9 o   23.871   1.1303   77.285   7.2470   83.742   9.2386   66.957   11.684   24.747   1.3956   21.905   2.0083 2.841944 2.445622 
1 1 1   34    4   -8 o   28.651   1.0419  111.170   8.0182  104.541   11.525  117.388   11.163   27.599   1.5611   29.338   1.4166 -1.738560 2.108051 
1 1 1   34    4   -7 o   20.065   1.2835   54.971   6.8805   63.254   9.8642   47.122   9.6022   21.390   1.7318   18.359   1.9785 3.031179 2.629405 
1 1 1   34    4   -6 o   25.213   1.0896   86.153   7.3785   96.578   10.616   76.410   10.263   26.549   1.4948   23.559   1.6319 2.989676 2.213078 
1 1 1   34    4   -5 o   43.293   0.8439  253.093   9.8129  253.760   13.873  252.425   13.882   43.231   1.1948   43.116   1.1987 0.1153793 1.692463 
1 1 1   34    4   -4 o   15.438   1.8025   33.215   7.3333   30.108   9.4822   37.839   11.568   14.437   2.5380   16.127   2.7704 -1.690125 3.757210 
1 1 1   34    4   -3 o   36.270   0.9518  177.902   9.2721  182.958   13.717  173.649   12.582   36.637   1.3939   35.723   1.3113 0.9140358 1.913776 
1 1 1   34    4   -2 o   4.4326   2.0963  -7.2248   6.5967 -17.4710   9.4746   2.4157   9.1903   4.6231   2.2642   7.0303   2.9305 -2.407209 3.703342 
1 1 1   34    4   -1 o   11.310   2.5397   18.672   7.5260   4.9590   11.263   29.733   10.116   8.0836   3.2938   14.270   2.7389 -6.185972 4.283748 
1 1 1   34    4    0 o   17.396   1.6461   41.829   7.5997   41.097   11.261   42.442   10.298   16.913   2.5589   17.309   2.2698 -0.3959808 3.420511 
1 1 1   34    4    1 o   22.153   1.2916   66.967   7.6519   45.786   10.912   87.455   10.733   17.970   2.3147   25.228   1.5921 -7.257727 2.809415 
1 1 1   34    4    2 o   18.054   1.5477   44.885   7.4325   33.324   10.596   56.081   10.428   15.140   2.7050   20.054   1.9611 -4.913908 3.341097 
1 1 1   34    4    3 o   21.031   1.3605   60.482   7.6438   62.045   10.932   58.987   10.692   21.106   1.9504   20.572   1.9588 0.5341415 2.764216 
1 1 1   34    4    4 o   14.711   2.0185   30.473   7.7652   33.684   11.764   27.993   10.337   15.097   3.0067   13.779   2.8856 1.318294 4.167377 
1 1 1   34    4    5 o   14.288   2.0268   28.785   7.5599   25.035   11.329   31.795   10.150   12.893   3.2674   14.800   2.6508 -1.907300 4.207477 
1 1 1   34    4    6 o   6.2901   2.6096   1.9380   7.2380   12.834   10.904  -6.6447   9.6775   9.6987   3.3939   5.7762   2.6671 3.922498 4.316486 
1 1 1   34    4    7 o   32.074   1.0964  139.441   9.4451  133.330   13.975  144.580   12.815   31.129   1.6776   32.541   1.4662 -1.412495 2.228063 
1 1 1   34    4    8 o   37.116   1.0798  186.676   10.764  175.265   16.122  195.857   14.460   35.737   1.6796   37.894   1.4207 -2.156597 2.199867 
1 1 1   34    4    9 o   18.735   1.5666   48.349   7.8108   56.931   11.088   39.894   11.005   20.158   2.0776   16.663   2.5393 3.495850 3.280886 
1 1 1   34    4   10 o   41.208   0.9327  229.587   10.323  235.605   14.453  223.317   14.750   41.616   1.2930   40.490   1.3563 1.125843 1.873860 
1 1 1   34    4   11 o   30.583   1.1729  126.957   9.6346  138.814   14.048  116.426   13.239   31.774   1.6518   29.070   1.7030 2.703377 2.372441 
1 1 1   34    4   12 o   34.373   1.0075  159.929   9.3011  156.416   13.281  163.311   13.030   33.846   1.4610   34.607   1.4018 -0.7605476 2.024714 
1 1 1   34    4   13 o   6.7182   2.7540   2.8406   7.9344   26.091   12.101 -14.6945   10.509   13.108   3.4060   5.2316   2.5202 7.876902 4.236994 
1 1 1   34    4   14 o   16.746   2.2679   39.821   9.9384   36.020   15.529   42.457   12.934   15.242   3.8051   17.009   2.9373 -1.766635 4.806909 
1 1 1   34    4   15 o   14.222   2.3019   28.953   8.4930   26.629   12.803   30.779   11.349   13.187   3.5403   14.381   3.0337 -1.193659 4.662302 
1 1 1   34    4   16 o   21.741   1.5706   65.090   9.1099   47.076   13.639   79.598   12.240   17.909   2.9374   23.912   1.9221 -6.003214 3.510360 
1 1 1   34    4   17 o   13.806   2.5271   27.698   9.0259   36.921   14.487   21.846   11.539   15.508   3.5540   11.983   3.4179 3.525126 4.930821 
1 1 1   34    4   18 o   25.669   1.4763   90.457   10.135   71.508   15.655  104.131   13.298   22.260   2.6718   27.396   1.8176 -5.136286 3.231403 
1 1 1   34    4   19 o   10.791   2.9059   17.420   8.6102  -0.1523   13.191   30.464   11.365   7.6969   3.3644   14.237   3.0629 -6.540054 4.549837 
1 1 1   34    4   20 o   15.163   2.3669   33.159   9.3246   23.406   14.324   40.331   12.284   12.251   3.8813   16.507   2.8752 -4.255808 4.830226 
1 1 1   34    4   21 o   28.084   1.4280  108.347   10.736  106.662   15.140  110.051   15.227   27.534   2.0622   27.984   2.0399 -0.4496403 2.900653 
1 1 1   34    4   22 o   6.4481   2.7149   1.7620   8.0084 -16.6722   11.193   21.095   11.463   5.2529   2.5475   11.651   3.4315 -6.397682 4.273741 
1 1 1   34    4   23 o   7.0924   3.0449   1.4198   10.416   15.597   13.596 -18.7244   16.207   10.367   3.7713   6.5594   3.1523 3.807283 4.915221 
1 1 1   34    4   24 o   38.267   1.0883  199.507   11.185  201.079   16.255  198.093   15.415   38.111   1.5880   37.878   1.5152 0.2331886 2.194891 
1 1 1   34    4   25 o   6.5171   2.7565   1.9356   8.3174   0.6510   12.030   3.1121   11.512   7.3396   3.2104   7.5896   3.2281 -0.2499819 4.552732 
1 1 1   34    4   26 o   18.425   2.0489   48.782   9.9677   40.690   15.457   54.542   13.041   15.683   3.7249   19.127   2.6064 -3.443871 4.546210 
1 1 1   34    4   27 o   24.275   1.4835   82.083   9.6265   94.303   13.014   67.316   14.306   25.741   1.8956   21.242   2.5589 4.499413 3.184582 
1 1 1   34    4   28 o   10.888   2.9392   18.834   8.7959   26.528   12.023   9.9747   12.902   12.623   3.4485   8.8718   3.5571 3.751411 4.954286 
1 1 1   34    4   29 o   5.7841   2.5973  -1.8018   8.3991  -0.6782   11.393  -3.1397   12.432   6.8223   3.0470   6.7744   3.0887 0.4793262E-01 4.338683 
1 1 1   34    4   30 o   13.233   2.8309   27.842   9.7578   22.281   13.140   34.677   14.569   11.252   3.7296   13.967   3.7879 -2.715584 5.315854 
1 1 1   34    4   31 o   20.546   1.7704   60.746   9.6749   53.447   13.652   68.111   13.713   18.331   2.8666   21.137   2.4616 -2.805576 3.778456 
1 1 1   34    4   32 o   9.6611   3.0288   15.584   8.7442   27.694   11.961   1.6824   12.815   12.520   3.4475   7.2881   3.2450 5.231694 4.734484 
1 1 1   34    5  -24 o   9.4578   4.2338   3.2600   22.134   3.2600   22.134   0.0000   0.0000   9.4578   4.2338  ?   ?  0.000000 4.233838 
1 1 1   34    5  -23 o   11.120   4.1712   19.463   16.855   19.463   16.855   0.0000   0.0000   11.120   4.1712  ?   ?  0.000000 4.171210 
1 1 1   34    5  -22 o   10.031   4.1425   11.418   18.118   11.418   18.118   0.0000   0.0000   10.031   4.1425  ?   ?  0.000000 4.142483 
1 1 1   34    5  -21 o   32.344   1.7340  145.956   15.009  155.189   21.476  137.141   20.984   32.747   2.4597   30.674   2.5707 2.072802 3.557889 
1 1 1   34    5  -20 o   14.475   2.7628   31.340   10.349   36.604   18.260   28.849   12.562   14.729   4.3290   13.528   3.4473 1.200661 5.533890 
1 1 1   34    5  -19 o   22.156   1.7942   68.589   10.585   75.562   17.504   64.569   13.291   22.548   2.9620   21.188   2.3764 1.360039 3.797467 
1 1 1   34    5  -18 o   19.099   2.1026   51.718   10.607   73.415   18.191   40.540   13.057   22.137   3.1481   16.400   3.0773 5.737440 4.402349 
1 1 1   34    5  -17 o   23.508   1.5953   76.378   10.013   58.573   14.634   92.053   13.730   19.983   2.8037   25.610   2.0123 -5.627047 3.451042 
1 1 1   34    5  -16 o   42.062   1.1217  240.409   12.673  243.618   17.908  237.190   17.936   42.097   1.5838   41.523   1.6083 0.5740318 2.257161 
1 1 1   34    5  -15 o   22.686   1.8563   71.716   11.212   67.008   16.035   76.219   15.683   21.407   2.8603   23.016   2.5814 -1.609499 3.852927 
1 1 1   34    5  -14 o   30.539   1.3849  127.382   11.360  120.661   18.161  131.702   14.560   29.195   2.3355   30.846   1.7648 -1.650352 2.927313 
1 1 1   34    5  -13 o   45.096   1.2874  277.042   15.593  280.967   28.744  275.405   18.563   44.573   2.4099   44.824   1.5418 -0.2510834 2.860875 
1 1 1   34    5  -12 o   6.8990   2.9822   0.2094   10.127 -10.8815   14.669   10.308   13.997   6.8963   3.2181   9.5837   3.7484 -2.687388 4.940306 
1 1 1   34    5  -11 o   6.0675   2.6943  -2.1315   8.7760   4.7772   13.073  -7.7990   11.841   8.4468   3.5059   6.3648   2.9429 2.082021 4.577356 
1 1 1   34    5  -10 o   24.173   1.0385   79.179   6.7425   82.056   10.411   77.100   8.8488   24.412   1.5967   23.730   1.3945 0.6819706 2.119859 
1 1 1   34    5   -9 o   16.695   1.3382   38.216   5.9502   38.700   8.3310   37.713   8.5013   16.632   1.8990   16.391   1.9705 0.2405891 2.736584 
1 1 1   34    5   -8 o   8.9850   2.4266   11.750   5.9936   23.301   8.2398  -1.2272   8.7341   12.654   2.5131   6.2058   2.7245 6.447707 3.706535 
1 1 1   34    5   -7 o   11.244   2.2672   18.257   6.6107   16.893   9.0467   19.819   9.6837   10.663   3.0210   11.507   3.0746 -0.8436441 4.310467 
1 1 1   34    5   -6 o   26.707   1.1322   96.784   8.1213   94.682   11.024   99.279   12.010   26.246   1.5710   26.837   1.6745 -0.5905495 2.296076 
1 1 1   34    5   -5 o   33.996   1.0588  156.620   9.6678  160.893   13.830  152.537   13.520   34.301   1.5011   33.396   1.5073 0.9051247 2.127259 
1 1 1   34    5   -4 o   39.091   1.0136  206.923   10.642  210.803   13.205  199.731   17.978   39.372   1.2487   38.092   1.7572 1.280029 2.155695 
1 1 1   34    5   -3 o   20.951   1.3949   60.127   7.8045   69.725   10.329   47.358   11.914   22.456   1.7258   18.179   2.5067 4.276447 3.043341 
1 1 1   34    5   -2 o   16.411   1.7050   37.384   7.4057   39.582   10.807   35.438   10.168   16.598   2.5019   15.690   2.4965 0.9073639 3.534410 
1 1 1   34    5   -1 o   4.1200   1.9916 -10.2655   6.7017  -5.1665   9.1627 -16.1311   9.8274   5.7706   2.6390   4.8574   2.3629 0.9132075 3.542292 
1 1 1   34    5    0 o   10.620   2.4933   16.493   6.9902   16.266   9.8750   16.721   9.8964   10.495   3.2071   10.623   3.2027 -0.1280298 4.532398 
1 1 1   34    5    1 o   19.696   1.4445   53.246   7.5888   44.276   10.378   63.554   11.125   17.682   2.2352   21.343   1.9626 -3.661392 2.974586 
1 1 1   34    5    2 o   23.078   1.2709   72.666   7.8470   67.438   10.931   78.225   11.271   22.030   1.8649   23.772   1.7782 -1.741995 2.576799 
1 1 1   34    5    3 o   23.234   1.3607   73.818   8.4546   66.571   12.494   79.940   11.483   21.761   2.1664   24.027   1.7923 -2.265877 2.811731 
1 1 1   34    5    4 o   16.294   1.8478   37.068   7.9440   43.158   10.538   29.052   12.090   17.423   2.3088   13.862   3.2955 3.561547 4.023803 
1 1 1   34    5    5 o   14.969   1.8901   31.404   7.4299   38.803   10.660   24.415   10.361   16.432   2.4937   12.773   3.0602 3.659329 3.947568 
1 1 1   34    5    6 o   15.442   1.8907   33.397   7.6784   42.813   11.189   25.016   10.557   17.279   2.4821   12.922   3.0844 4.357134 3.959072 
1 1 1   34    5    7 o   48.739   0.9996  321.612   13.086  326.713   21.861  318.764   16.335   48.773   1.6688   48.409   1.2563 0.3637733 2.088840 
1 1 1   34    5    8 o   5.6436   2.5482  -3.5193   8.2130   4.8145   11.847 -11.2297   11.396   8.1762   3.3601   5.8604   2.7666 2.315820 4.352465 
1 1 1   34    5    9 o   41.947   1.0211  238.332   11.504  265.761   18.020  219.461   14.946   44.066   1.5225   40.108   1.3874 3.958199 2.059819 
1 1 1   34    5   10 o   23.489   1.5734   75.940   9.8692   96.183   17.583   66.629   11.925   25.961   2.5547   21.806   2.0605 4.155941 3.282080 
1 1 1   34    5   11 o   30.178   1.1835  123.745   9.5927  126.972   13.200  120.133   13.964   30.372   1.6240   29.473   1.7723 0.8998299 2.403814 
1 1 1   34    5   12 o   21.881   1.4946   65.809   8.7310   63.909   12.325   67.724   12.370   21.286   2.1869   21.947   2.1251 -0.6601753 3.049349 
1 1 1   34    5   13 o   18.834   1.9332   49.645   9.6408   64.094   13.407   34.173   13.873   21.210   2.3954   14.909   3.5208 6.300982 4.258439 
1 1 1   34    5   14 o   30.289   1.1644  124.692   9.4732  127.027   13.561  122.466   13.239   30.338   1.6706   29.792   1.6612 0.5466175 2.355935 
1 1 1   34    5   15 o   33.870   1.1099  155.796   10.097  152.774   14.228  158.861   14.332   33.346   1.5885   34.014   1.5687 -0.6673775 2.232574 
1 1 1   34    5   16 o   24.535   1.3791   82.537   9.0512   85.504   12.902   79.661   12.701   24.721   1.9591   23.835   2.0026 0.8859692 2.801523 
1 1 1   34    5   17 o   21.989   1.4867   66.618   8.7289   74.743   12.102   57.808   12.602   23.083   1.9709   20.081   2.3829 3.001688 3.092366 
1 1 1   34    5   18 o   6.3977   2.6909   1.7126   7.8545  -4.9708   10.862   9.0387   11.372   6.3350   2.8879   8.7900   3.3951 -2.454967 4.457166 
1 1 1   34    5   19 o   18.132   1.7659   46.009   8.4909   50.065   11.767   41.604   12.264   18.613   2.4104   16.724   2.8313 1.888844 3.718342 
1 1 1   34    5   20 o   21.251   1.5301   62.551   8.6754   61.554   11.880   63.689   12.698   20.773   2.1609   21.065   2.2807 -0.2918358 3.141861 
1 1 1   34    5   21 o   33.661   1.1759  154.702   10.632  151.801   13.870  158.835   16.555   33.139   1.5583   33.667   1.8377 -0.5288467 2.409415 
1 1 1   34    5   22 o   7.5907   3.1242   4.7468   10.262   1.5664   13.270   9.4792   16.187   7.7825   3.3889   9.4859   3.9162 -1.703396 5.178908 
1 1 1   34    5   23 o   23.444   1.5200   76.449   9.5195   64.707   12.504   92.636   14.682   21.140   2.2362   25.373   2.1753 -4.233490 3.119718 
1 1 1   34    5   24 o   7.4937   2.9871   5.9568   9.0433   9.5063   12.602   2.1880   12.985   8.8406   3.5255   7.7206   3.3571 1.119981 4.868212 
1 1 1   34    5   25 o   33.524   1.1826  154.276   10.648  147.070   15.160  161.294   14.960   32.272   1.7555   33.938   1.6412 -1.666279 2.403183 
1 1 1   34    5   26 o   30.109   1.1656  124.561   9.4260  116.390   13.133  133.243   13.537   28.688   1.7122   30.761   1.6444 -2.072140 2.373950 
1 1 1   34    5   27 o   10.560   2.9104   17.901   8.5201   23.736   11.495   10.789   12.692   11.848   3.4212   8.8974   3.5412 2.950976 4.923929 
1 1 1   34    5   28 o   16.603   1.9224   40.109   8.4146   44.235   11.115   34.568   12.879   17.014   2.5073   14.282   3.4055 2.732738 4.228923 
1 1 1   34    5   29 o   8.4571   3.1586   10.812   9.6446   13.172   12.800   7.7130   14.669   9.1928   3.5876   8.4854   3.6273 0.7074451 5.101761 
1 1 1   34    5   30 o   11.082   2.8852   20.292   8.6720   24.080   11.962   16.096   12.590   11.574   3.5283   9.6718   3.6096 1.901978 5.047557 
1 1 1   34    6  -22 o   6.9207   3.2975 -14.0687   16.933 -14.0687   16.933   0.0000   0.0000   6.9207   3.2975  ?   ?  0.000000 3.297544 
1 1 1   34    6  -21 o   19.551   3.6304   62.252   18.362   62.252   18.362   0.0000   0.0000   19.551   3.6304  ?   ?  0.000000 3.630378 
1 1 1   34    6  -20 o   14.512   4.1709   36.466   17.121   36.466   17.121   0.0000   0.0000   14.512   4.1709  ?   ?  0.000000 4.170936 
1 1 1   34    6  -19 o   12.484   3.5232   25.173   12.329   36.046   18.101   15.764   16.838   14.404   4.3290   10.546   4.1150 3.857697 5.972692 
1 1 1   34    6  -18 o   12.142   3.1747   23.045   10.470   21.142   17.032   24.201   13.275   11.574   4.2193   12.230   3.7143 -0.6563253 5.621314 
1 1 1   34    6  -17 o   18.047   2.2099   46.791   10.488   58.146   16.764   39.487   13.445   19.409   3.3360   15.982   3.2428 3.426788 4.652393 
1 1 1   34    6  -16 o   24.216   1.7047   81.663   11.017   67.121   18.426   89.754   13.744   20.880   3.4028   25.198   2.0485 -4.317587 3.971861 
1 1 1   34    6  -15 o   13.450   2.9323   27.358   10.294   53.615   17.510   13.488   12.726   18.485   3.6563   9.8862   3.6406 8.598700 5.159711 
1 1 1   34    6  -14 o   24.340   1.7793   82.554   11.552   89.487   17.559   77.264   15.339   24.800   2.6785   23.138   2.5084 1.662243 3.669657 
1 1 1   34    6  -13 o   27.619   1.3704  104.368   10.166  102.877   14.885  105.671   13.918   27.038   2.0653   27.503   1.8957 -0.4646111 2.803420 
1 1 1   34    6  -12 o   19.285   1.9539   52.266   9.9811   39.816   16.152   59.957   12.695   15.848   3.8358   20.474   2.3513 -4.625957 4.499089 
1 1 1   34    6  -11 o   15.372   2.6919   34.702   10.709   33.554   15.377   35.784   14.924   14.535   3.8700   15.098   3.7075 -0.5629044 5.359298 
1 1 1   34    6  -10 o   27.880   0.9481  105.260   7.0993  107.624   10.453  103.236   9.6725   28.058   1.3870   27.507   1.3092 0.5515881 1.907283 
1 1 1   34    6   -9 f   15.230   1.5128   32.094   6.1062   35.222   8.5160   28.784   8.7602   15.774   2.0592   14.107   2.3979 1.666908 3.160700 
1 1 1   34    6   -8 o   29.931   0.9951  121.391   7.9999  119.762   10.937  123.266   11.732   29.610   1.3752   30.010   1.4555 -0.3996696 2.002412 
1 1 1   34    6   -7 o   37.785   0.9240  193.201   9.3778  197.303   12.807  188.460   13.770   38.063   1.2527   37.146   1.3801 0.9176979 1.863873 
1 1 1   34    6   -6 o   43.123   0.9042  251.541   10.473  246.874   14.121  257.246   15.613   42.588   1.2345   43.423   1.3386 -0.8345413 1.820977 
1 1 1   34    6   -5 o   13.046   1.9987   24.143   6.7806   24.832   9.4713   23.418   9.7115   12.939   2.8061   12.511   2.9399 0.4284420 4.064085 
1 1 1   34    6   -4 o   25.133   1.1628   85.832   7.8494   75.057   10.824   97.787   11.400   23.273   1.7442   26.642   1.6006 -3.369307 2.367328 
1 1 1   34    6   -3 o   36.383   0.9541  179.183   9.3234  181.735   13.155  176.607   13.216   36.501   1.3418   35.971   1.3679 0.5295525 1.916152 
1 1 1   34    6   -2 o   10.666   2.6610   16.818   7.5984   21.905   10.443   11.097   11.076   12.033   3.1825   9.2638   3.3987 2.769124 4.656066 
1 1 1   34    6   -1 o   9.9584   2.6691   14.632   7.2843   22.519   10.078   6.0023   10.541   12.230   3.0719   8.0674   3.2221 4.162972 4.451818 
1 1 1   34    6    0 o   27.659   1.1630  103.944   8.6399  118.265   11.676   86.613   12.845   29.360   1.4855   24.927   1.9336 4.433332 2.438362 
1 1 1   34    6    1 o   36.850   1.0036  183.958   9.9336  174.746   13.209  195.949   15.071   35.780   1.3745   37.838   1.4829 -2.058517 2.021922 
1 1 1   34    6    2 o   11.701   2.5883   20.130   7.9187   26.256   10.216   10.911   12.533   13.264   2.9444   9.4501   3.5852 3.814378 4.639338 
1 1 1   34    6    3 o   17.036   2.1736   41.147   9.7192   42.446   12.248   38.938   15.971   17.041   2.7713   15.780   3.8111 1.260192 4.712189 
1 1 1   34    6    4 o   34.285   1.0733  159.451   9.8840  159.219   13.037  159.766   15.158   34.131   1.4221   34.084   1.6557 0.4674911E-01 2.182615 
1 1 1   34    6    5 o   8.2352   2.9956   8.5791   8.5786  -3.2414   11.013   26.816   13.680   6.6520   2.9815   13.132   3.7130 -6.479812 4.761927 
1 1 1   34    6    6 o   18.973   1.7004   49.944   8.5732   50.666   11.550   49.058   12.794   18.853   2.3305   18.387   2.6685 0.4657326 3.542908 
1 1 1   34    6    7 o   8.3226   2.9705   9.0540   8.3874   12.151   10.803   4.3540   13.308   9.4583   3.3717   8.4037   3.5168 1.054697 4.871933 
1 1 1   34    6    8 o   25.278   1.3999   87.586   9.4676   92.792   11.965   78.868   15.483   25.884   1.7310   23.473   2.4941 2.411556 3.035937 
1 1 1   34    6    9 f   8.7528   3.0200   10.535   8.6193   24.511   11.683  -6.1608   12.769   12.635   3.3775   6.8134   3.1157 5.821394 4.595153 
1 1 1   34    6   10 o   7.1440   2.8708   4.2859   8.4243  -2.0775   11.090   12.968   12.954   6.8215   3.0289   9.8934   3.6674 -3.071844 4.756508 
1 1 1   34    6   11 o   6.4044   2.7639   0.2332   8.6700   4.1638   11.655  -4.6371   12.973   7.9559   3.3069   7.0401   3.1885 0.9158497 4.593696 
1 1 1   34    6   12 o   7.6723   3.1785   3.9357   10.717   10.113   14.105  -4.4997   16.482   9.4880   3.7468   7.9631   3.6013 1.524909 5.196940 
1 1 1   34    6   13 o   15.502   2.1581   34.322   8.7424   52.601   11.346   7.6136   13.715   19.204   2.2419   8.9664   3.6419 10.23773 4.276635 
1 1 1   34    6   14 o   7.7976   2.9603   7.0821   8.5480  -0.8300   11.046   18.894   13.496   6.9564   3.0587   11.150   3.7806 -4.193161 4.863028 
1 1 1   34    6   15 o   15.855   2.0915   35.852   8.6894   26.129   11.174   50.727   13.821   13.012   3.2158   18.472   2.8795 -5.460957 4.316560 
1 1 1   34    6   16 o   17.652   1.8775   43.915   8.7649   59.125   12.199   27.686   12.602   20.299   2.2767   13.240   3.4930 7.058825 4.169463 
1 1 1   34    6   17 o   5.9176   2.5905  -0.6072   7.8455   1.3775   10.762  -2.8586   11.462   7.1706   3.0870   6.7490   3.0321 0.4216094 4.327037 
1 1 1   34    6   18 o   25.011   1.3434   86.108   8.9914   95.734   12.302   75.069   13.174   26.151   1.7617   22.904   2.1673 3.246937 2.793024 
1 1 1   34    6   19 o   22.534   1.5526   70.640   9.3393   66.432   12.209   76.574   14.500   21.519   2.1408   22.942   2.3881 -1.423807 3.207172 
1 1 1   34    6   20 o   21.507   1.6183   64.697   9.2798   53.513   12.096   80.694   14.467   19.092   2.4128   23.564   2.3157 -4.471506 3.344232 
1 1 1   34    6   21 o   5.5408   2.6071  -8.2708   9.9686  -1.2347   13.002 -18.3070   15.528   7.2653   3.2492   6.3006   3.0423 0.9647274 4.451159 
1 1 1   34    6   22 o   22.651   1.5444   71.773   9.3398   72.159   12.446   71.276   14.130   22.343   2.0986   21.939   2.4393 0.4034042 3.217795 
1 1 1   34    6   23 o   6.6937   2.7513   3.7508   7.9450   2.5253   10.937   5.1202   11.561   7.2221   3.1106   7.7881   3.2696 -0.5659823 4.512828 
1 1 1   34    6   24 o   4.4176   2.1595 -13.9485   8.4974  -9.6569   12.519 -17.6150   11.571   6.1087   2.8887   5.1691   2.5254 0.9395924 3.836918 
1 1 1   34    6   25 o   15.035   2.0739   33.292   8.1520   31.321   11.256   35.466   11.822   13.859   3.1014   14.797   3.0749 -0.9375772 4.367349 
1 1 1   34    6   26 o   6.7728   2.7518   4.6606   7.8338  -5.7952   10.875   15.937   11.294   5.9736   2.7820   9.7701   3.4512 -3.796546 4.432856 
1 1 1   34    6   27 o   6.5394   2.7091   3.8112   7.7847 -13.7018   10.792   22.805   11.240   5.1604   2.5024   11.414   3.4068 -6.253887 4.227116 
1 1 1   34    6   28 o   15.113   2.3343   35.057   9.1702   47.191   12.529   21.058   13.458   17.109   2.8251   10.655   3.7670 6.454247 4.708613 
1 1 1   34    6   29 o   12.162   2.7657   24.304   8.8304   27.110   12.027   21.022   13.007   12.178   3.4944   10.560   3.7061 1.617600 5.093735 
1 1 1   34    7  -21 o   23.170   4.6799  101.200   28.121  101.200   28.121   0.0000   0.0000   23.170   4.6799  ?   ?  0.000000 4.679872 
1 1 1   34    7  -20 o   22.570   3.3639   82.289   19.769   82.289   19.769   0.0000   0.0000   22.570   3.3639  ?   ?  0.000000 3.363862 
1 1 1   34    7  -19 o   31.708   2.6138  150.505   22.062  150.505   22.062   0.0000   0.0000   31.708   2.6138  ?   ?  0.000000 2.613831 
1 1 1   34    7  -18 o   11.866   4.2550   24.281   17.229   24.281   17.229   0.0000   0.0000   11.866   4.2550  ?   ?  0.000000 4.255015 
1 1 1   34    7  -17 o   13.217   3.5694   28.767   12.969   52.968   17.693   0.6650   19.066   17.873   3.8025   8.7455   3.9212 9.127242 5.462132 
1 1 1   34    7  -16 o   5.8450   2.7403  -8.3453   10.846 -24.7899   15.843   6.1614   14.880   5.9870   2.9313   8.7271   3.6889 -2.740053 4.711758 
1 1 1   34    7  -15 o   14.924   2.6877   33.458   10.377   38.105   17.832   31.079   12.761   14.864   4.2520   13.932   3.4324 0.9319668 5.464539 
1 1 1   34    7  -14 o   9.5295   3.2330   13.509   9.8697   13.861   16.737   13.321   12.220   10.272   4.0735   9.6846   3.5674 0.5871983 5.414758 
1 1 1   34    7  -13 o   24.134   1.7353   81.420   11.174   81.838   18.561   81.182   13.993   23.297   3.0386   23.811   2.2133 -0.5138760 3.759237 
1 1 1   34    7  -12 o   13.162   2.9168   26.362   10.040   6.8036   16.328   38.255   12.732   9.2126   3.8775   15.812   3.1086 -6.599459 4.969771 
1 1 1   34    7  -11 o   13.152   3.2174   26.821   11.272   44.340   23.786   21.748   12.800   15.727   5.0036   11.738   3.6621 3.989308 6.200590 
1 1 1   34    7  -10 o   12.068   3.3679   22.724   11.331   1.9377   16.535   41.129   15.560   8.6485   3.7739   16.096   3.6792 -7.447765 5.270615 
1 1 1   34    7   -9 o   10.928   2.4034   17.607   6.8623   16.212   10.799   18.552   8.8872   10.373   3.3784   11.052   2.9418 -0.6796722 4.479712 
1 1 1   34    7   -8 o   25.964   1.1088   91.699   7.7322   90.214   10.614   93.379   11.286   25.553   1.5539   25.964   1.6266 -0.4114227 2.249549 
1 1 1   34    7   -7 o   25.367   1.1047   87.505   7.5267   88.656   10.745   86.396   10.547   25.320   1.5879   24.998   1.5789 0.3218346 2.239311 
1 1 1   34    7   -6 o   18.406   1.5716   46.950   7.6950   59.277   11.931   38.171   10.069   20.406   2.2123   16.258   2.3759 4.147736 3.246409 
1 1 1   34    7   -5 o   19.430   1.6044   52.336   8.2980   50.336   10.250   56.140   14.136   18.866   2.0560   19.559   2.7682 -0.6924496 3.448184 
1 1 1   34    7   -4 o   13.750   2.0640   26.971   7.3874   29.205   9.8282   24.070   11.201   14.050   2.7025   12.500   3.2909 1.549930 4.258347 
1 1 1   34    7   -3 o   19.730   1.5336   53.792   8.0630   58.586   11.586   49.289   11.228   20.326   2.1550   18.558   2.3021 1.768215 3.153331 
1 1 1   34    7   -2 o   13.779   2.1103   27.138   7.5615   27.138   10.422   27.139   10.987   13.421   2.9699   13.356   3.1193 0.6494331E-01 4.307053 
1 1 1   34    7   -1 o   8.0927   2.7138   9.1033   6.9532   12.018   9.5967   5.8825   10.088   9.2399   3.1867   7.8911   3.1520 1.348800 4.482195 
1 1 1   34    7    0 o   9.2852   2.7365   12.717   7.2880   0.4661   10.156   25.721   10.464   6.9099   2.9867   13.029   3.0450 -6.118876 4.265254 
1 1 1   34    7    1 o   5.4822   2.4404  -1.9675   7.2439   17.033   10.234 -21.0429   10.254   10.624   3.2680   4.6188   2.2803 6.004950 3.984900 
1 1 1   34    7    2 o   9.6011   3.0366   13.569   8.7707   14.163   13.850   13.172   11.332   10.209   3.7906   9.7127   3.4543 0.4960566 5.128434 
1 1 1   34    7    3 o   6.8398   2.7100   4.2891   7.4020   3.6220   10.100   5.0631   10.879   7.4471   3.0855   7.9147   3.2324 -0.4676032 4.468642 
1 1 1   34    7    4 o   22.514   1.3590   69.564   8.1795   80.265   11.466   58.477   11.671   24.006   1.7912   20.295   2.1751 3.711489 2.817686 
1 1 1   34    7    5 o   24.963   1.3189   85.372   8.8114   69.501   11.892  104.696   13.122   22.220   2.0144   27.429   1.7909 -5.209133 2.695369 
1 1 1   34    7    6 o   12.855   2.3752   24.086   7.8991   28.542   11.051   19.431   11.295   13.704   3.0775   11.247   3.4285 2.457286 4.607133 
1 1 1   34    7    7 o   26.669   1.2193   96.982   8.7338   98.435   12.340   95.524   12.363   26.612   1.7359   26.198   1.7674 0.4139614 2.477289 
1 1 1   34    7    8 o   9.2727   2.8300   12.715   7.6924   22.813   10.819   2.3886   10.940   12.156   3.2506   7.4296   3.1530 4.726106 4.528504 
1 1 1   34    7    9 o   14.229   2.0825   28.958   7.7236   28.760   10.606   29.181   11.270   13.789   2.9526   13.814   3.1122 -0.2443886E-01 4.289958 
1 1 1   34    7   10 o   16.518   1.8543   38.437   8.0848   39.696   11.293   37.113   11.579   16.412   2.6524   15.759   2.8402 0.6526918 3.886120 
1 1 1   34    7   11 o   4.1972   2.0753 -18.2049   8.6096 -30.8482   13.683  -9.9185   11.077   5.1056   2.5402   5.8139   2.7394 -0.7083440 3.735899 
1 1 1   34    7   12 o   6.6967   2.7878   2.6535   8.3014   2.5912   12.066   2.7094   11.439   7.7063   3.2918   7.5692   3.2186 0.1370173 4.603852 
1 1 1   34    7   13 o   12.088   2.6612   21.978   8.4062   28.857   12.543   16.368   11.326   13.480   3.4498   10.356   3.4637 3.124267 4.888591 
1 1 1   34    7   14 o   16.524   2.0085   38.986   8.7307   40.769   12.718   37.397   12.007   16.340   3.0088   15.662   2.9627 0.6779356 4.222631 
1 1 1   34    7   15 o   9.7848   2.9252   14.652   8.2812   20.357   11.666   8.8567   11.757   11.293   3.4916   8.6741   3.4222 2.619198 4.889096 
1 1 1   34    7   16 o   15.488   2.0637   34.578   8.3712   37.074   11.581   31.847   12.115   15.580   2.8732   14.180   3.2504 1.400602 4.338250 
1 1 1   34    7   17 o   22.161   1.4698   68.280   8.6988   74.844   12.096   61.248   12.519   22.892   1.9870   20.476   2.3170 2.415327 3.052354 
1 1 1   34    7   18 o   17.187   1.8928   42.246   8.5927   46.861   11.796   37.028   12.543   17.693   2.5562   15.291   3.1586 2.402504 4.063332 
1 1 1   34    7   19 o   6.6118   2.7623   2.9619   8.1916   14.112   11.512  -8.4753   11.659   9.5964   3.4733   6.0253   2.8301 3.571096 4.480319 
1 1 1   34    7   20 o   17.209   2.1853   43.498   9.8733   56.441   13.833   30.056   14.097   19.172   2.7664   13.162   3.7850 6.009606 4.688211 
1 1 1   34    7   21 o   19.336   1.7721   53.407   9.1009   55.844   12.220   50.371   13.638   19.307   2.4088   17.895   2.9395 1.412027 3.800403 
1 1 1   34    7   22 o   8.7658   2.9234   12.015   8.0691   17.120   11.374   6.8415   11.449   10.126   3.4705   7.9659   3.2916 2.159864 4.783184 
1 1 1   34    7   23 o   6.0332   2.6936  -0.8814   8.8948   5.7917   11.461 -10.9906   14.106   7.7357   3.2518   6.3336   3.0155 1.402148 4.434861 
1 1 1   34    7   24 o   6.3761   2.7515   1.8772   8.5906   9.3967   12.365  -5.1397   11.944   8.4361   3.4458   6.3066   2.9298 2.129551 4.522965 
1 1 1   34    7   25 o   10.891   2.7667   19.355   8.1094   15.198   11.364   23.668   11.576   9.4595   3.4468   11.518   3.4619 -2.058196 4.885183 
1 1 1   34    7   26 o   22.087   1.4155   68.958   8.3528   54.652   11.148   87.265   12.612   18.970   2.2307   24.333   1.9460 -5.363157 2.960193 
1 1 1   34    7   27 f   5.0627   2.4170  -8.4340   9.1913  -8.0028   13.829  -8.7751   12.301   6.3437   3.0104   5.9148   2.8161 0.4289412 4.122259 
1 1 1   34    8  -19 o   16.145   3.7781   45.929   16.093   45.929   16.093   0.0000   0.0000   16.145   3.7781  ?   ?  0.000000 3.778129 
1 1 1   34    8  -18 o   11.755   4.1584   25.406   16.403   25.406   16.403   0.0000   0.0000   11.755   4.1584  ?   ?  0.000000 4.158425 
1 1 1   34    8  -17 o   11.609   4.2684   24.380   17.484   24.380   17.484   0.0000   0.0000   11.609   4.2684  ?   ?  0.000000 4.268404 
1 1 1   34    8  -16 o   12.494   3.7791   27.074   13.763   42.655   17.796   3.8880   21.708   15.343   4.1971   9.2661   4.1671 6.077022 5.914375 
1 1 1   34    8  -15 o   5.4092   2.6260 -16.4527   11.975 -23.0081   15.439  -6.5561   18.970   5.9215   2.8981   7.9292   3.6865 -2.007665 4.689289 
1 1 1   34    8  -14 o   8.8040   3.5227   9.5317   12.624   12.389   16.973   5.9938   18.888   9.8144   4.0262   9.2179   4.0276 0.5965853 5.694910 
1 1 1   34    8  -13 o   24.760   2.1898   88.770   14.412  107.675   19.503   66.025   21.392   26.742   2.7547   19.539   4.2011 7.202894 5.023691 
1 1 1   34    8  -12 o   12.260   3.0573   23.687   10.033   13.563   16.472   29.659   12.651   10.037   4.0210   13.488   3.4715 -3.451071 5.312285 
1 1 1   34    8  -11 o   6.9332   2.9593   2.0708   9.7375  -4.9721   16.068   6.1586   12.241   7.6020   3.4832   8.2261   3.4017 -0.6240916 4.868700 
1 1 1   34    8  -10 f   11.099   3.1843   19.411   9.9873   45.949   16.457   3.9390   12.566   16.744   3.7521   7.9495   3.3767 8.794825 5.047799 
1 1 1   34    8   -9 o   28.622   2.0173  116.344   15.409  135.900   26.623  106.493   18.895   29.524   3.4207   26.855   2.6544 2.669605 4.329752 
1 1 1   34    8   -8 o   6.6505   2.9064   0.0018   9.8392 -17.5366   15.626   11.524   12.665   6.4478   3.0977   9.3521   3.5907 -2.904301 4.742280 
1 1 1   34    8   -7 o   30.016   1.1800  123.093   9.5127  130.995   14.809  117.541   12.412   30.565   1.8120   29.087   1.5948 1.478102 2.413844 
1 1 1   34    8   -6 o   30.621   1.0313  127.562   8.4823  124.638   12.398  130.134   11.630   29.994   1.5443   30.758   1.4078 -0.7645111 2.089611 
1 1 1   34    8   -5 o   20.788   1.4640   59.804   8.1221   62.913   10.755   55.678   12.391   21.106   1.9181   19.574   2.4076 1.531954 3.078296 
1 1 1   34    8   -4 o   9.7634   2.6309   14.335   7.0547   10.595   10.103   17.893   9.8553   8.8530   3.2462   10.757   3.1855 -1.903930 4.548122 
1 1 1   34    8   -3 o   12.961   2.2623   24.486   7.5893   22.617   10.196   26.808   11.364   12.080   3.1205   13.103   3.2459 -1.022929 4.502632 
1 1 1   34    8   -2 o   30.835   1.0994  129.495   9.1053  133.781   12.488  124.632   13.304   31.158   1.4922   29.942   1.6608 1.216267 2.232721 
1 1 1   34    8   -1 o   34.907   1.1405  166.122   10.693  164.293   14.436  168.346   15.917   34.491   1.5583   34.822   1.7018 -0.3304787 2.307525 
1 1 1   34    8    0 o   28.860   1.1259  113.508   8.7276  104.137   11.963  124.171   12.760   27.379   1.6343   29.929   1.5931 -2.549860 2.282299 
1 1 1   34    8    1 o   13.673   2.3436   27.314   8.2971   33.560   12.799   22.787   10.897   14.655   3.3277   12.071   3.2768 2.583727 4.670177 
1 1 1   34    8    2 o   15.108   2.1233   32.789   8.3785   32.078   10.681   33.926   13.508   14.595   2.8269   14.639   3.4855 -0.4427147E-01 4.487786 
1 1 1   34    8    3 o   6.9821   2.7286   5.0470   7.4127   0.9726   10.229   9.5530   10.757   6.9517   3.0011   8.7181   3.3182 -1.766323 4.474052 
1 1 1   34    8    4 o   10.519   2.7199   16.748   7.7416   21.322   10.917   12.121   10.980   11.657   3.3242   9.3194   3.3892 2.337789 4.747341 
1 1 1   34    8    5 o   20.183   1.5681   56.631   8.4337   60.546   12.026   52.844   11.830   20.537   2.2154   19.093   2.3568 1.443316 3.234581 
1 1 1   34    8    6 o   19.731   1.6010   54.242   8.4116   62.372   11.598   45.219   12.218   20.910   2.0931   17.442   2.6950 3.468266 3.412350 
1 1 1   34    8    7 o   13.017   2.3807   24.963   8.0165   15.092   11.131   35.603   11.556   10.007   3.4330   15.303   2.9179 -5.295675 4.505570 
1 1 1   34    8    8 o   17.578   1.7701   43.527   8.2436   44.136   11.510   42.886   11.812   17.285   2.5564   16.960   2.6823 0.3252678 3.705384 
1 1 1   34    8    9 o   7.4253   2.8138   6.6432   7.7138   0.8165   10.379   13.835   11.530   6.9274   3.0067   9.7031   3.4807 -2.775667 4.599541 
1 1 1   34    8   10 f   9.0357   2.9912   12.177   8.4530   6.2750   12.581   17.034   11.413   8.3340   3.4475   10.436   3.4767 -2.101894 4.896207 
1 1 1   34    8   11 o   13.075   2.5033   25.595   8.4713   33.096   11.119   15.219   13.078   14.659   2.9266   10.072   3.6934 4.587219 4.712320 
1 1 1   34    8   12 o   16.196   2.0254   37.775   8.6182   46.694   12.558   29.836   11.848   17.569   2.7516   13.658   3.2727 3.911274 4.275722 
1 1 1   34    8   13 o   5.3992   2.4806  -4.3664   8.2244  -1.4977   11.726  -7.1440   11.538   6.8952   3.0845   6.1588   2.8673 0.7364416 4.211374 
1 1 1   34    8   14 o   22.009   1.6513   68.147   9.6904   60.583   14.357   74.476   13.133   19.975   2.7489   22.638   2.1872 -2.662949 3.512853 
1 1 1   34    8   15 o   20.977   1.7052   62.239   9.5243   66.400   13.436   58.035   13.503   21.163   2.4065   19.597   2.6319 1.565617 3.566307 
1 1 1   34    8   16 o   14.318   2.2762   30.487   8.4608   36.331   11.755   24.204   12.188   15.159   2.9932   11.969   3.5420 3.189949 4.637347 
1 1 1   34    8   17 o   19.896   1.6341   56.010   8.6551   60.455   12.155   51.438   12.327   20.208   2.2793   18.408   2.5628 1.800558 3.429679 
1 1 1   34    8   18 o   7.7477   2.8706   8.3738   7.9345   4.7409   11.092   12.180   11.354   7.5485   3.1875   9.0162   3.4145 -1.467725 4.671075 
1 1 1   34    8   19 o   11.043   3.0283   20.028   9.2513   27.262   12.822   12.174   13.361   12.456   3.6181   9.1352   3.6342 3.320676 5.128145 
1 1 1   34    8   20 o   11.222   2.8291   20.384   8.5249   18.147   12.537   22.309   11.627   10.238   3.6341   11.300   3.4844 -1.061223 5.034639 
1 1 1   34    8   21 o   4.9914   2.3744  -8.1757   8.7062  -3.2442   12.141 -13.3962   12.491   6.5565   3.0129   5.6741   2.7370 0.8823919 4.070462 
1 1 1   34    8   22 o   15.339   2.4755   36.591   9.8514   32.440   15.283   39.542   12.886   12.935   3.9959   15.237   3.2479 -2.302052 5.149371 
1 1 1   34    8   23 o   9.5663   3.0538   15.576   8.8542   23.179   13.505   9.8439   11.726   11.028   3.7816   8.2996   3.3687 2.728533 5.064510 
1 1 1   34    8   24 o   7.9055   3.0252   9.5109   8.9717   16.416   13.821   4.4823   11.794   9.5345   3.7259   7.3541   3.1986 2.180442 4.910574 
1 1 1   34    9  -18 o   22.803   4.9656  110.000   29.551  110.000   29.551   0.0000   0.0000   22.803   4.9656  ?   ?  0.000000 4.965642 
1 1 1   34    9  -17 o   6.8410   3.2411  -9.0619   15.903  -9.0619   15.903   0.0000   0.0000   6.8410   3.2411  ?   ?  0.000000 3.241102 
1 1 1   34    9  -16 o   22.750   3.1434   84.519   18.694   84.519   18.694   0.0000   0.0000   22.750   3.1434  ?   ?  0.000000 3.143361 
1 1 1   34    9  -15 o   18.084   3.7643   57.326   17.690   57.326   17.690   0.0000   0.0000   18.084   3.7643  ?   ?  0.000000 3.764334 
1 1 1   34    9  -14 o   18.258   2.9639   53.037   14.036   36.190   17.367   84.770   23.835   13.765   4.2609   21.494   4.2789 -7.729269 6.038589 
1 1 1   34    9  -13 o   13.318   3.5259   30.376   12.811   17.694   16.680   48.617   20.004   10.370   4.0810   15.874   4.4905 -5.503906 6.067907 
1 1 1   34    9  -12 o   13.818   3.5375   32.458   13.185   43.960   17.216   16.140   20.506   15.627   4.0636   10.414   4.3623 5.212564 5.961789 
1 1 1   34    9  -11 o   32.544   1.7942  150.593   15.622  146.952   20.546  155.583   24.053   31.403   2.4554   31.789   2.8473 -0.3856068 3.759802 
1 1 1   34    9  -10 o   10.158   3.6233   16.660   12.477   17.135   15.830   15.880   20.277   10.384   4.0070   10.477   4.3589 -0.9337330E-01 5.920830 
1 1 1   34    9   -9 o   12.799   3.5486   27.527   12.624   42.956   16.016   2.2180   20.513   15.850   3.8094   8.9859   4.0450 6.863770 5.556339 
1 1 1   34    9   -8 o   10.004   3.4609   15.883   11.323   15.693   16.051   16.071   15.977   10.220   4.0092   10.280   4.0092 -0.6016636E-01 5.669867 
1 1 1   34    9   -7 o   10.014   3.4180   15.868   11.032   32.410   22.224   10.458   12.709   13.076   4.8116   8.9836   3.5537 4.092319 5.981690 
1 1 1   34    9   -6 o   14.930   2.7271   34.054   10.533   32.680   17.719   34.804   13.098   13.470   4.3222   14.627   3.3987 -1.157196 5.498411 
1 1 1   34    9   -5 o   8.2454   3.3593   7.1467   11.714  -6.8120   18.259   16.911   15.271   7.8332   3.6333   10.459   3.9601 -2.625417 5.374314 
1 1 1   34    9   -4 o   31.219   1.2215  133.799   10.242  146.904   16.013  124.726   13.324   32.209   1.8589   29.820   1.6703 2.388622 2.499103 
1 1 1   34    9   -3 o   16.021   1.9674   36.879   8.2883   45.806   11.913   28.503   11.539   17.472   2.6193   13.336   3.2510 4.135422 4.174850 
1 1 1   34    9   -2 o   22.457   1.6417   70.725   9.8336   77.423   14.977   65.649   13.038   22.910   2.4731   21.187   2.3295 1.722271 3.397486 
1 1 1   34    9   -1 o   8.4734   2.9156   10.470   8.0313   10.534   10.972   10.395   11.787   8.8299   3.3535   8.9091   3.4522 -0.7918453E-01 4.812856 
1 1 1   34    9    0 o   18.901   1.8585   50.791   9.3130   59.879   14.387   44.235   12.218   19.913   2.7645   17.083   2.7568 2.829491 3.904150 
1 1 1   34    9    1 o   15.090   2.3359   33.581   9.1618   32.171   12.079   35.492   14.058   14.211   3.2369   14.687   3.5933 -0.4754534 4.836218 
1 1 1   34    9    2 o   10.463   2.8054   16.968   8.0456   30.363   11.679   4.8703   11.100   13.809   3.2098   7.7356   3.2222 6.073773 4.548114 
1 1 1   34    9    3 o   17.173   1.8295   41.955   8.3089   46.924   11.753   36.989   11.748   17.741   2.5389   15.466   2.9355 2.274366 3.881096 
1 1 1   34    9    4 o   24.892   1.3734   85.786   9.1465   89.580   13.411   82.487   12.507   25.016   2.0130   24.043   1.9536 0.9730968 2.805134 
1 1 1   34    9    5 o   8.8756   2.9134   11.913   8.0253   19.342   10.989   3.4214   11.748   10.932   3.3901   7.6159   3.2506 3.316462 4.696785 
1 1 1   34    9    6 o   11.977   2.5977   21.901   8.1161   12.699   11.281   31.774   11.685   9.2989   3.4272   14.126   3.1590 -4.827327 4.660999 
1 1 1   34    9    7 o   9.9056   2.8429   15.317   7.9593   4.4416   10.939   27.550   11.602   7.5834   3.1819   13.013   3.3112 -5.429876 4.592236 
1 1 1   34    9    8 o   8.9913   2.9362   12.399   8.1553   9.2626   11.343   15.754   11.734   8.5453   3.3646   9.9848   3.5188 -1.439489 4.868484 
1 1 1   34    9    9 o   23.004   1.5892   74.323   9.7592   83.431   14.796   67.310   12.984   23.787   2.3465   21.389   2.2960 2.397940 3.282949 
1 1 1   34    9   10 o   9.4502   3.0641   14.061   8.8881   4.5680   11.961   25.769   13.283   7.7693   3.2969   12.246   3.7145 -4.476376 4.966639 
1 1 1   34    9   11 o   4.5199   2.1777 -10.2204   7.8534  -8.7573   11.123 -11.6747   11.090   5.8021   2.7373   5.5112   2.6376 0.2909646 3.801278 
1 1 1   34    9   12 o   10.447   2.8951   17.460   8.4047   24.482   12.134   10.984   11.652   11.977   3.5314   8.8330   3.4297 3.144068 4.922746 
1 1 1   34    9   13 o   15.404   2.2050   35.248   8.8626   23.410   12.082   49.037   13.040   11.666   3.5436   17.697   2.8393 -6.031544 4.540816 
1 1 1   34    9   14 o   10.661   3.0486   18.649   9.1682  -6.3250   14.588   34.953   11.787   6.8978   3.2156   14.654   3.0920 -7.755840 4.460977 
1 1 1   34    9   15 o   8.1451   3.0637   9.5724   9.1050   13.299   14.968   7.3836   11.471   9.4322   3.8139   8.0182   3.3021 1.413999 5.044731 
1 1 1   34    9   16 o   5.3539   2.5051  -5.9602   8.9866   0.7176   14.644  -9.9945   11.382   7.5847   3.4156   5.6758   2.7041 1.908864 4.356460 
1 1 1   34    9   17 o   5.9288   2.6400  -0.5078   8.4840 -14.0723   12.822   10.056   11.315   5.7085   2.7584   8.4173   3.3457 -2.708826 4.336204 
1 1 1   34    9   18 o   16.215   2.3095   40.120   9.7742   40.409   14.144   39.857   13.523   15.093   3.5486   15.141   3.4076 -0.4740524E-01 4.919763 
1 1 1   34    9   19 o   6.6398   2.8313   3.2728   8.8974 -12.7420   13.460   15.701   11.857   5.9220   2.8527   9.5030   3.5115 -3.580980 4.524236 
1 1 1   34    9   20 o   8.9225   3.0800   13.420   8.9659   11.535   13.959   14.743   11.698   8.7426   3.6253   9.2283   3.4723 -0.4856205 5.019940 
1 1 1   34    9   21 o   8.3905   3.3439   11.039   11.331   1.1607   15.508   22.350   16.595   7.5159   3.4357   10.457   4.0838 -2.940956 5.336784 
1 1 1   34    9   22 o   10.230   3.1148   18.646   9.3271   8.3641   13.717   27.486   12.720   8.0890   3.4838   11.896   3.6406 -3.807232 5.038932 
1 1 1   34   10  -16 o   9.3925   4.2607   12.090   23.276   12.090   23.276   0.0000   0.0000   9.3925   4.2607  ?   ?  0.000000 4.260691 
1 1 1   34   10  -15 o   6.2546   3.0171 -13.3307   15.182 -13.3307   15.182   0.0000   0.0000   6.2546   3.0171  ?   ?  0.000000 3.017137 
1 1 1   34   10  -14 o   9.7544   3.9567   16.660   16.165   16.660   16.165   0.0000   0.0000   9.7544   3.9567  ?   ?  0.000000 3.956711 
1 1 1   34   10  -13 o   23.621   3.0614   91.715   18.966   91.715   18.966   0.0000   0.0000   23.621   3.0614  ?   ?  0.000000 3.061446 
1 1 1   34   10  -12 o   11.101   3.6081   22.278   12.320   18.618   16.686   26.665   18.269   10.204   4.0607   11.498   4.3367 -1.294099 5.941041 
1 1 1   34   10  -11 o   10.369   3.6783   19.067   12.842   16.550   16.629   22.787   20.215   9.9310   4.0184   10.912   4.4251 -0.9805212 5.977411 
1 1 1   34   10  -10 o   5.0846   2.5018 -19.8275   11.998 -13.4032   15.057 -30.9998   19.857   6.3409   3.0449   6.3291   3.1335 0.1176453E-01 4.369230 
1 1 1   34   10   -9 o   13.141   3.9660   32.149   15.170   31.270   22.285   32.908   20.708   12.206   4.7420   12.572   4.6416 -0.3664780 6.635549 
1 1 1   34   10   -8 o   7.0285   3.1637  -0.6241   12.547   14.685   16.131 -24.0737   19.965   9.7401   3.9520   6.7388   3.2975 3.001329 5.147007 
1 1 1   34   10   -7 o   12.054   3.6998   25.805   13.126   23.714   16.656   29.233   21.324   11.329   4.1660   12.066   4.6522 -0.7371788 6.244907 
1 1 1   34   10   -6 o   15.800   4.6289   49.818   20.908   0.0000   0.0000   49.818   20.908  ?   ?    15.800   4.6289 0.000000 4.628887 
1 1 1   34   10   -5 o   7.1418   3.3300  -6.3873   15.656 -42.4600   20.995   38.790   23.496   6.1303   3.0650   13.475   4.9491 -7.344706 5.821361 
1 1 1   34   10   -4 o   15.688   3.2568   40.454   13.274   51.767   17.093   23.267   21.069   17.251   3.7923   11.311   4.5420 5.940005 5.917038 
1 1 1   34   10   -3 o   13.256   4.1341   32.590   16.314   31.650   25.098   33.277   21.469   12.423   4.9683   12.839   4.7285 -0.4158459 6.858763 
1 1 1   34   10   -2 o   8.4886   3.1324   10.578   9.4287   15.920   11.551  -0.0899   16.322   9.8760   3.4901   7.9323   3.5859 1.943709 5.003942 
1 1 1   34   10   -1 o   12.681   2.5863   24.871   8.5106   24.279   11.478   25.593   12.684   11.986   3.4052   12.160   3.6168 -0.1733770 4.967614 
1 1 1   34   10    0 o   20.601   1.7718   60.644   9.7086   55.588   12.514   68.287   15.386   19.179   2.4880   20.984   2.7998 -1.805342 3.745490 
1 1 1   34   10    1 o   6.1109   2.7161  -0.7432   8.9394   3.5069   11.598  -6.9641   14.031   7.4641   3.2089   6.7419   3.1465 0.7221894 4.494186 
1 1 1   34   10    2 o   16.966   2.0904   42.235   9.3241   53.474   12.318   27.154   14.269   18.789   2.5030   12.330   3.8697 6.459249 4.608690 
1 1 1   34   10    3 o   12.023   2.7998   22.925   8.8724   27.573   13.280   19.176   11.924   12.548   3.6927   10.635   3.5539 1.913556 5.125089 
1 1 1   34   10    4 o   19.059   1.8367   52.254   9.2860   45.676   12.674   59.878   13.644   17.037   2.8719   19.759   2.6367 -2.722235 3.898759 
1 1 1   34   10    5 o   17.825   1.8739   45.912   8.8371   53.958   12.615   38.159   12.383   18.793   2.5663   15.332   3.1133 3.461211 4.034640 
1 1 1   34   10    6 o   18.896   1.7837   51.260   8.9457   56.018   12.804   46.723   12.504   19.148   2.5531   17.273   2.7903 1.875265 3.782107 
1 1 1   34   10    7 o   13.672   2.5027   28.773   8.8518   20.270   12.888   36.367   12.179   10.775   3.6942   14.894   3.1433 -4.119088 4.850513 
1 1 1   34   10    8 o   14.678   2.4613   33.005   9.3597   56.802   14.881   17.429   12.039   18.762   3.0583   10.126   3.5647 8.636526 4.696873 
1 1 1   34   10    9 o   22.137   1.6976   70.045   10.017   70.618   13.794   69.406   14.570   21.579   2.4217   21.198   2.6144 0.3804398 3.563644 
1 1 1   34   10   10 o   17.591   1.9036   45.126   8.8503   55.800   13.022   35.963   12.065   18.945   2.6302   14.724   3.1463 4.220966 4.100854 
1 1 1   34   10   11 o   6.8010   2.8721   3.6424   9.0072  -2.1524   12.426   10.058   13.075   6.7572   3.0837   8.6212   3.5349 -1.863910 4.690880 
1 1 1   34   10   12 o   11.281   3.0945   21.516   9.6581   16.808   13.228   26.891   14.135   9.8417   3.6946   11.950   3.8630 -2.108040 5.345309 
1 1 1   34   10   13 o   8.1791   3.0799   10.142   9.2067   6.5241   12.802   14.018   13.250   7.9433   3.3919   9.2554   3.6390 -1.312171 4.974611 
1 1 1   34   10   14 o   5.3773   2.5172  -5.6001   9.0913  -9.5435   12.701  -1.4569   13.019   6.0008   2.8583   6.8894   3.1488 -0.8886228 4.252620 
1 1 1   34   10   15 o   9.1676   3.2276   14.358   9.8697   7.2183   15.081   19.706   13.053   8.2558   3.6033   10.280   3.7018 -2.024205 5.166000 
1 1 1   34   10   16 o   17.481   2.5069   48.197   11.434   29.868   20.296   56.718   13.839   11.470   4.5056   18.583   2.8647 -7.112868 5.339190 
1 1 1   34   10   17 o   13.023   3.2134   29.970   11.171   32.049   16.376   28.160   15.277   12.254   4.1645   11.649   4.0205 0.6045694 5.788588 
1 1 1   34   10   18 o   8.4511   3.1692   12.012   9.7287   5.4037   13.498   19.157   14.035   7.6494   3.3717   9.8905   3.7840 -2.241148 5.068238 
1 1 1   34   10   19 o   7.7141   3.1037   8.8548   9.8598   8.9144   14.168   8.7987   13.730   8.1395   3.5229   8.0820   3.4831 0.5748940E-01 4.954043 
1 1 1   34   11  -15 o   11.013   4.8946   37.010   29.025   37.010   29.025   0.0000   0.0000   11.013   4.8946  ?   ?  0.000000 4.894608 
1 1 1   34   11  -14 o   12.574   5.2310   51.390   29.199   51.390   29.199   0.0000   0.0000   12.574   5.2310  ?   ?  0.000000 5.230980 
1 1 1   34   11  -13 o   6.8736   3.3617 -17.2200   20.671 -17.2200   20.671   0.0000   0.0000   6.8736   3.3617  ?   ?  0.000000 3.361733 
1 1 1   34   11  -12 o   7.8840   3.5769   4.0041   16.412   4.0041   16.412   0.0000   0.0000   7.8840   3.5769  ?   ?  0.000000 3.576898 
1 1 1   34   11  -11 o   22.686   3.1824   88.382   18.858   88.382   18.858   0.0000   0.0000   22.686   3.1824  ?   ?  0.000000 3.182375 
1 1 1   34   11  -10 o   16.678   3.5838   50.692   15.575   91.770   27.075   30.374   19.042   20.003   5.0413   11.630   4.4175 8.373034 6.702914 
1 1 1   34   11   -9 o   11.788   3.8602   27.354   14.093   31.636   16.843   17.360   25.731   12.227   4.2215   9.9841   4.5089 2.243423 6.176718 
1 1 1   34   11   -8 o   16.929   3.0958   48.304   13.558   51.128   17.259   43.754   21.910   16.316   3.9750   13.569   4.8054 2.747282 6.236395 
1 1 1   34   11   -7 o   8.4096   3.4618   9.9978   12.602   19.624   16.590  -3.1338   19.377   10.182   4.0500   7.8065   3.6609 2.375342 5.459318 
1 1 1   34   11   -6 o   21.716   2.4473   73.014   14.026   83.735   18.523   58.604   21.474   22.321   3.1795   16.554   4.6420 5.766287 5.626535 
1 1 1   34   11   -5 o   8.7227   3.5401   11.394   12.948   15.291   17.292   6.4206   19.534   9.6042   4.0130   8.7311   3.9372 0.8731718 5.621895 
1 1 1   34   11   -4 o   14.819   3.8797   41.293   15.623   48.770   24.451   36.134   20.310   14.136   5.0689   12.766   4.6146 1.369837 6.854800 
1 1 1   34   11   -3 o   6.6363   3.0512  -2.8292   12.474   4.4364   16.317 -13.0470   19.350   8.1649   3.6465   7.1452   3.4365 1.019718 5.010642 
1 1 1   34   11   -2 o   8.2339   3.4683   8.1574   13.080   11.428   17.117   3.5674   20.279   9.1192   3.9088   8.5864   3.9265 0.5328503 5.540381 
1 1 1   34   11   -1 o   9.7661   3.9319   16.358   15.835   10.850   24.801   20.148   20.575   9.6430   4.3834   10.418   4.3670 -0.7747993 6.187519 
1 1 1   34   11    0 f   14.630   3.5567   38.135   13.840   29.938   18.704   48.054   20.575   11.953   4.4117   14.961   4.6389 -3.007440 6.401711 
1 1 1   34   11    1 o   6.0956   2.7870  -2.6449   10.211   5.5560   11.820 -26.7754   20.275   7.6406   3.2608   6.5400   3.2245 1.100586 4.585894 
1 1 1   34   11    2 o   12.066   3.4836   26.094   11.919   43.913   14.598  -9.5508   20.646   15.764   3.5350   7.6007   3.6269 8.162867 5.064695 
1 1 1   34   11    3 o   6.0731   2.7811  -2.7999   10.223 -11.0338   11.974   19.336   19.633   5.6961   2.7300   10.273   4.2828 -4.576814 5.078910 
1 1 1   34   11    4 o   7.1168   2.9861   4.9123   9.6347  -0.9967   12.003   15.618   16.156   6.7373   3.0575   9.6258   3.9360 -2.888463 4.984067 
1 1 1   34   11    5 o   6.4844   2.8620   1.0837   9.7579   12.570   12.240 -18.9501   16.164   8.8885   3.4966   6.1254   2.9909 2.763018 4.601243 
1 1 1   34   11    6 o   8.1887   3.1573   10.128   9.8215   7.2919   12.049   15.744   16.955   7.9095   3.3301   9.6278   3.9941 -1.718365 5.200217 
1 1 1   34   11    7 o   8.3274   3.2288   10.649   10.317   9.4652   13.909   12.098   15.382   8.4568   3.5701   8.9790   3.7705 -0.5221462 5.192539 
1 1 1   34   11    8 o   6.0485   2.7806  -2.9395   10.357   6.3093   12.670 -21.5638   17.980   7.8018   3.3540   6.3069   3.0951 1.494812 4.563872 
1 1 1   34   11    9 o   10.873   3.1591   20.745   9.7744   10.599   12.634   35.872   15.427   8.4630   3.4729   13.424   3.9878 -4.961499 5.288063 
1 1 1   34   11   10 o   9.7253   3.3641   17.006   10.699   26.700   14.638   5.8858   15.677   11.504   3.9371   8.0856   3.5952 3.418064 5.331634 
1 1 1   34   11   11 o   8.5424   3.2336   12.128   10.180   11.726   12.860   12.803   16.660   8.6040   3.5142   9.0007   3.8571 -0.3967123 5.217930 
1 1 1   34   11   12 o   16.568   2.3411   42.916   10.128   45.394   13.553   39.783   15.242   16.053   3.2546   14.155   3.8892 1.898155 5.071325 
1 1 1   34   11   13 o   12.256   2.9895   26.071   9.7533   30.066   13.086   21.079   14.629   12.397   3.6706   10.185   3.8712 2.212239 5.334710 
1 1 1   34   11   14 o   9.9255   3.1976   18.023   9.6908   27.450   13.388   7.6458   14.046   11.623   3.7598   7.9470   3.4728 3.675560 5.118219 
1 1 1   34   11   15 o   6.4011   2.8640   1.2462   10.113 -14.1567   15.007   14.061   13.688   5.9877   2.9144   8.8272   3.6178 -2.839454 4.645684 
1 1 1   34   12  -10 o   9.0882   3.8199   16.407   15.811   16.407   15.811   0.0000   0.0000   9.0882   3.8199  ?   ?  0.000000 3.819868 
1 1 1   34   12   -9 o   11.830   3.9045   30.211   14.407   46.588   18.083   1.7450   23.840   14.205   4.3397   8.1803   3.9018 6.024396 5.835899 
1 1 1   34   12   -8 o   8.0025   3.3518   9.7498   12.104 -13.2152   15.713   43.267   18.983   6.1752   3.0003   13.336   4.4839 -7.161282 5.395114 
1 1 1   34   12   -7 o   15.792   3.2609   44.971   13.373   49.383   17.428   38.654   20.854   15.197   4.1520   12.165   4.6224 3.031787 6.213357 
1 1 1   34   12   -6 o   7.6367   3.3026   6.9120   12.431   15.921   16.975  -3.5080   18.255   9.2028   3.9171   7.3304   3.4728 1.872360 5.234929 
1 1 1   34   12   -5 o   10.113   3.6423   20.281   12.637   22.186   16.931   17.885   18.989   10.147   4.0726   9.5092   4.0971 0.6378584 5.776924 
1 1 1   34   12   -4 o   6.5777   3.0115  -0.6925   11.977  -1.3244   15.595   0.2164   18.702   7.1592   3.3332   7.7229   3.6136 -0.5636487 4.916140 
1 1 1   34   12   -3 o   24.005   2.2594   89.359   14.396  104.931   19.505   70.724   21.337   24.864   2.9801   18.134   4.4208 6.730146 5.331425 
1 1 1   34   12   -2 o   7.2814   3.3214   1.5502   14.397   17.650   21.820 -10.8626   19.159   9.5868   4.2531   7.0007   3.3801 2.586041 5.432705 
1 1 1   34   12   -1 o   7.0630   3.1736   2.2252   12.560   14.472   16.133 -16.6153   20.010   9.0739   3.8386   6.7952   3.3201 2.278743 5.075202 
1 1 1   34   12    0 o   8.3777   3.4795   10.954   12.888   13.326   17.588   8.2037   18.941   8.9848   3.9069   8.5078   3.8530 0.4769487 5.487212 
1 1 1   34   12    1 o   9.2747   3.8513   15.917   15.786   14.390   25.161   16.908   20.273   9.3952   4.3247   9.4883   4.1586 -0.9310532E-01 5.999749 
1 1 1   34   12    2 o   8.0555   3.4778   8.4270   13.738   0.0781   18.530   18.616   20.471   7.7137   3.6054   9.6719   4.2103 -1.958113 5.543077 
1 1 1   34   12    3 o   17.503   3.4901   56.256   15.832   47.793   18.399   80.390   31.071   14.692   4.3529   15.825   5.7096 -1.132929 7.179617 
1 1 1   34   12    4 o   5.3108   2.6075 -17.3215   12.810  -8.3186   14.016 -62.9900   31.567   6.2525   2.9849   6.6828   3.3914 -0.4302764 4.517875 
1 1 1   34   12    5 o   4.9860   2.4047 -10.0527   9.6330 -12.5722   12.073  -5.6375   15.982   5.4542   2.6453   6.8325   3.2405 -1.378242 4.183151 
1 1 1   34   12    6 o   5.1537   2.4927 -11.0846   10.534  -8.4684   14.223 -14.2638   15.679   6.2599   2.9935   6.1314   2.9831 0.1284285 4.226159 
1 1 1   34   12    7 o   10.365   3.4253   20.722   11.087   23.103   12.864   13.849   21.859   10.648   3.6886   9.0776   4.1221 1.570814 5.531486 
1 1 1   34   12    8 o   8.5252   3.2417   12.876   10.261   20.043   12.902   0.5443   16.924   9.9398   3.6649   7.4381   3.4661 2.501686 5.044369 
1 1 1   34   12    9 o   6.1554   2.8161  -0.8833   10.449   9.1233   15.472  -9.2739   14.167   8.1482   3.5997   6.1333   2.9474 2.014884 4.652451 
1 1 1   34   12   10 o   6.7991   2.9483   4.3903   9.9600  -0.9353   12.876   12.325   15.716   6.6190   3.0634   8.5253   3.7001 -1.906232 4.803686 
1 1 1   35    0  -27 o   45.135   2.1243  280.862   25.623  280.862   25.623  280.862   25.623   45.135   2.1243   45.135   2.1243 0.000000 0.000000 
1 1 1   35    0  -26 o   6.0609   4.0101  -2.1119   17.053  -2.1119   17.053  -2.1119   17.053   6.0609   4.0101   6.0609   4.0101 0.000000 0.000000 
1 1 1   35    0  -25 o   5.0279   3.4902 -12.6651   16.491 -12.6651   16.491 -12.6651   16.491   5.0279   3.4902   5.0279   3.4902 0.000000 0.000000 
1 1 1   35    0  -24 o   14.349   3.8053   33.901   12.671   33.901   12.671   33.901   12.671   14.349   3.8053   14.349   3.8053 0.000000 0.000000 
1 1 1   35    0  -23 o   58.506   1.4946  463.959   23.452  463.959   23.452  463.959   23.452   58.506   1.4946   58.506   1.4946 0.000000 0.000000 
1 1 1   35    0  -22 o   44.056   1.5941  263.736   18.807  263.736   18.807  263.736   18.807   44.056   1.5941   44.056   1.5941 0.000000 0.000000 
1 1 1   35    0  -21 o   28.623   1.9655  112.822   14.947  112.822   14.947  112.822   14.947   28.623   1.9655   28.623   1.9655 0.000000 0.000000 
1 1 1   35    0  -20 o   11.088   4.3176   23.412   12.263   23.412   12.263   23.412   12.263   11.088   4.3176   11.088   4.3176 0.000000 0.000000 
1 1 1   35    0  -19 o   5.0291   3.3452  -2.9528   12.125  -2.9528   12.125  -2.9528   12.125   5.0291   3.3452   5.0291   3.3452 0.000000 0.000000 
1 1 1   35    0  -18 o   10.345   4.5987   21.662   13.518   21.662   13.518   21.662   13.518   10.345   4.5987   10.345   4.5987 0.000000 0.000000 
1 1 1   35    0  -17 o   7.9451   4.7835   9.9870   18.517   9.9870   18.517   9.9870   18.517   7.9451   4.7835   7.9451   4.7835 0.000000 0.000000 
1 1 1   35    0  -16 o   11.076   4.9031   24.909   15.370   24.909   15.370   24.909   15.370   11.076   4.9031   11.076   4.9031 0.000000 0.000000 
1 1 1   35    0  -15 o   63.565   1.4748  546.638   25.149  546.638   25.149  546.638   25.149   63.565   1.4748   63.565   1.4748 0.000000 0.000000 
1 1 1   35    0  -14 o   11.424   4.4257   24.758   12.912   24.758   12.912   24.758   12.912   11.424   4.4257   11.424   4.4257 0.000000 0.000000 
1 1 1   35    0  -13 o   39.112   1.6181  207.881   16.932  207.881   16.932  207.881   16.932   39.112   1.6181   39.112   1.6181 0.000000 0.000000 
1 1 1   35    0  -12 o   18.069   3.5803   49.809   15.441   49.809   15.441   49.809   15.441   18.069   3.5803   18.069   3.5803 0.000000 0.000000 
1 1 1   35    0  -11 o   5.2497   3.5401  -5.7222   14.445  -5.7222   14.445  -5.7222   14.445   5.2497   3.5401   5.2497   3.5401 0.000000 0.000000 
1 1 1   35    0  -10 o   10.910   2.8128   19.080   7.1237   19.080   7.1237   19.080   7.1237   10.910   2.8128   10.910   2.8128 0.000000 0.000000 
1 1 1   35    0   -9 o   44.340   1.1014  265.305   13.099  265.305   13.099  265.305   13.099   44.340   1.1014   44.340   1.1014 0.000000 0.000000 
1 1 1   35    0   -8 f   5.3546   3.1776   4.4482   7.9464   4.4482   7.9464   4.4482   7.9464   5.3546   3.1776   5.3546   3.1776 0.000000 0.000000 
1 1 1   35    0   -7 f   17.378   1.9818   42.471   8.9392   42.471   8.9392   42.471   8.9392   17.378   1.9818   17.378   1.9818 0.000000 0.000000 
1 1 1   35    0   -6 o   19.142   1.8350   50.929   9.2354   50.929   9.2354   50.929   9.2354   19.142   1.8350   19.142   1.8350 0.000000 0.000000 
1 1 1   35    0   -5 o   4.3820   2.8702  -0.9918   8.4014  -0.9918   8.4014  -0.9918   8.4014   4.3820   2.8702   4.3820   2.8702 0.000000 0.000000 
1 1 1   35    0   -4 o   7.0686   3.6352   10.137   8.8051   10.137   8.8051   10.137   8.8051   7.0686   3.6352   7.0686   3.6352 0.000000 0.000000 
1 1 1   35    0   -3 o   14.527   2.6230   31.334   9.2437   31.334   9.2437   31.334   9.2437   14.527   2.6230   14.527   2.6230 0.000000 0.000000 
1 1 1   35    0   -2 o   17.912   2.0858   45.214   9.6793   45.214   9.6793   45.214   9.6793   17.912   2.0858   17.912   2.0858 0.000000 0.000000 
1 1 1   35    0   -1 o   23.060   1.6413   72.922   10.047   72.922   10.047   72.922   10.047   23.060   1.6413   23.060   1.6413 0.000000 0.000000 
1 1 1   35    0    0 o   19.016   2.0356   50.644   10.096   50.644   10.096   50.644   10.096   19.016   2.0356   19.016   2.0356 0.000000 0.000000 
1 1 1   35    0    1 o   35.463   1.3032  170.234   12.375  170.234   12.375  170.234   12.375   35.463   1.3032   35.463   1.3032 0.000000 0.000000 
1 1 1   35    0    2 o   9.1978   3.7397   16.188   9.0648   16.188   9.0648   16.188   9.0648   9.1978   3.7397   9.1978   3.7397 0.000000 0.000000 
1 1 1   35    0    3 o   40.193   1.2509  218.368   13.474  218.368   13.474  218.368   13.474   40.193   1.2509   40.193   1.2509 0.000000 0.000000 
1 1 1   35    0    4 o   11.321   3.5558   22.009   9.4939   22.009   9.4939   22.009   9.4939   11.321   3.5558   11.321   3.5558 0.000000 0.000000 
1 1 1   35    0    5 o   27.773   1.5553  105.140   11.519  105.140   11.519  105.140   11.519   27.773   1.5553   27.773   1.5553 0.000000 0.000000 
1 1 1   35    0    6 o   5.1040   3.3674  -2.0376   11.886  -2.0376   11.886  -2.0376   11.886   5.1040   3.3674   5.1040   3.3674 0.000000 0.000000 
1 1 1   35    0    7 f   24.333   1.8182   81.456   11.731   81.456   11.731   81.456   11.731   24.333   1.8182   24.333   1.8182 0.000000 0.000000 
1 1 1   35    0    8 f   14.922   3.0900   34.015   10.929   34.015   10.929   34.015   10.929   14.922   3.0900   14.922   3.0900 0.000000 0.000000 
1 1 1   35    0    9 o   4.7032   3.1128  -2.1490   10.287  -2.1490   10.287  -2.1490   10.287   4.7032   3.1128   4.7032   3.1128 0.000000 0.000000 
1 1 1   35    0   10 o   4.4728   3.0454  -5.9922   11.213  -5.9922   11.213  -5.9922   11.213   4.4728   3.0454   4.4728   3.0454 0.000000 0.000000 
1 1 1   35    0   11 o   16.264   3.0292   39.673   11.886   39.673   11.886   39.673   11.886   16.264   3.0292   16.264   3.0292 0.000000 0.000000 
1 1 1   35    0   12 o   16.322   3.0297   39.940   11.937   39.940   11.937   39.940   11.937   16.322   3.0297   16.322   3.0297 0.000000 0.000000 
1 1 1   35    0   13 o   35.205   1.5804  168.520   14.875  168.520   14.875  168.520   14.875   35.205   1.5804   35.205   1.5804 0.000000 0.000000 
1 1 1   35    0   14 o   19.972   2.4534   56.728   12.628   56.728   12.628   56.728   12.628   19.972   2.4534   19.972   2.4534 0.000000 0.000000 
1 1 1   35    0   15 o   7.2313   4.0204   10.194   11.549   10.194   11.549   10.194   11.549   7.2313   4.0204   7.2313   4.0204 0.000000 0.000000 
1 1 1   35    0   16 o   29.525   1.8257  119.440   14.351  119.440   14.351  119.440   14.351   29.525   1.8257   29.525   1.8257 0.000000 0.000000 
1 1 1   35    0   17 o   8.3992   4.2391   14.614   11.845   14.614   11.845   14.614   11.845   8.3992   4.2391   8.3992   4.2391 0.000000 0.000000 
1 1 1   35    0   18 o   42.182   1.4861  241.297   16.790  241.297   16.790  241.297   16.790   42.182   1.4861   42.182   1.4861 0.000000 0.000000 
1 1 1   35    0   19 o   19.383   2.8643   54.676   13.955   54.676   13.955   54.676   13.955   19.383   2.8643   19.383   2.8643 0.000000 0.000000 
1 1 1   35    0   20 o   35.202   2.0161  169.973   18.919  169.973   18.919  169.973   18.919   35.202   2.0161   35.202   2.0161 0.000000 0.000000 
1 1 1   35    0   21 o   5.2842   3.5461  -4.6189   14.162  -4.6189   14.162  -4.6189   14.162   5.2842   3.5461   5.2842   3.5461 0.000000 0.000000 
1 1 1   35    0   22 o   14.720   3.9142   35.645   13.371   35.645   13.371   35.645   13.371   14.720   3.9142   14.720   3.9142 0.000000 0.000000 
1 1 1   35    0   23 o   3.0486   2.2354 -31.0007   11.949 -31.0007   11.949 -31.0007   11.949   3.0486   2.2354   3.0486   2.2354 0.000000 0.000000 
1 1 1   35    0   24 o   4.1734   2.9320 -13.0381   12.659 -13.0381   12.659 -13.0381   12.659   4.1734   2.9320   4.1734   2.9320 0.000000 0.000000 
1 1 1   35    0   25 o   6.3953   4.0647   3.1189   15.249   3.1189   15.249   3.1189   15.249   6.3953   4.0647   6.3953   4.0647 0.000000 0.000000 
1 1 1   35    0   26 o   14.236   3.4649   32.598   11.480   32.598   11.480   32.598   11.480   14.236   3.4649   14.236   3.4649 0.000000 0.000000 
1 1 1   35    0   27 o   17.273   2.8144   44.325   12.016   44.325   12.016   44.325   12.016   17.273   2.8144   17.273   2.8144 0.000000 0.000000 
1 1 1   35    0   28 o   34.820   1.5916  165.859   14.815  165.859   14.815  165.859   14.815   34.820   1.5916   34.820   1.5916 0.000000 0.000000 
1 1 1   35    0   29 o   30.167   1.7012  125.275   13.684  125.275   13.684  125.275   13.684   30.167   1.7012   30.167   1.7012 0.000000 0.000000 
1 1 1   35    0   30 o   15.635   3.2777   38.490   12.125   38.490   12.125   38.490   12.125   15.635   3.2777   15.635   3.2777 0.000000 0.000000 
1 1 1   35    0   31 o   6.0633   3.6748   6.0477   11.074   6.0477   11.074   6.0477   11.074   6.0633   3.6748   6.0633   3.6748 0.000000 0.000000 
1 1 1   35    0   32 o   8.5115   4.4329   16.523   13.209   16.523   13.209   16.523   13.209   8.5115   4.4329   8.5115   4.4329 0.000000 0.000000 
1 1 1   35    0   33 o   11.352   4.4700   26.398   13.085   26.398   13.085   26.398   13.085   11.352   4.4700   11.352   4.4700 0.000000 0.000000 
1 1 1   35    0   34 o   11.242   4.7123   27.374   14.284   27.374   14.284   27.374   14.284   11.242   4.7123   11.242   4.7123 0.000000 0.000000 
1 1 1   35    0   35 o   8.7640   4.5207   18.512   13.640   18.512   13.640   18.512   13.640   8.7640   4.5207   8.7640   4.5207 0.000000 0.000000 
1 1 1   35    1  -26 o   9.7471   3.7435   12.453   13.769   15.158   17.624   8.2160   22.056   10.660   4.1950   10.275   4.4214 0.3846693 6.094860 
1 1 1   35    1  -25 o   14.614   3.3250   33.068   12.757   28.852   18.354   37.008   17.745   13.239   4.4088   14.945   4.2299 -1.706577 6.109820 
1 1 1   35    1  -24 o   28.848   1.8246  115.870   14.065  103.661   20.182  127.400   19.612   26.600   2.8703   29.826   2.4704 -3.225908 3.787059 
1 1 1   35    1  -23 f   8.9318   3.2677   10.354   10.229   7.7675   16.931   11.841   12.836   9.6229   3.9916   9.6451   3.6357 -0.2224827E-01 5.399216 
1 1 1   35    1  -22 o   28.383   1.3450  109.918   10.254  101.405   14.780  117.815   14.236   26.908   2.0608   29.139   1.8283 -2.231003 2.754900 
1 1 1   35    1  -21 o   7.7685   3.0907   5.5345   9.6644  -0.1958   15.396   9.2606   12.415   8.2751   3.6255   9.1138   3.5397 -0.8387394 5.066936 
1 1 1   35    1  -20 o   12.563   2.7186   23.228   8.9072   16.625   13.013   29.049   12.218   10.769   3.7110   13.845   3.3270 -3.075975 4.984042 
1 1 1   35    1  -19 o   9.0550   3.0519   11.369   8.7943   20.056   12.372   2.4968   12.503   11.563   3.5991   7.9638   3.3747 3.599216 4.933781 
1 1 1   35    1  -18 o   14.889   2.3630   31.712   9.1340   33.137   12.760   30.215   13.080   14.851   3.2861   14.096   3.4766 0.7546968 4.783871 
1 1 1   35    1  -17 o   21.948   1.6951   66.471   9.9150   63.596   14.202   69.205   13.849   21.112   2.5567   22.124   2.3672 -1.011992 3.484340 
1 1 1   35    1  -16 o   27.115   1.4710  100.622   10.673  100.664   16.126  100.590   14.237   26.783   2.2629   26.906   1.9841 -0.1232986 3.009492 
1 1 1   35    1  -15 o   15.301   2.9492   34.414   11.681   45.235   20.414   29.146   14.243   16.837   4.4477   13.779   3.7488 3.057812 5.816830 
1 1 1   35    1  -14 o   8.6350   3.2550   8.6647   10.288   17.058   12.520  -8.7899   18.055   10.879   3.6416   8.0389   3.6867 2.839863 5.181957 
1 1 1   35    1  -13 o   6.6778   2.8004   1.7615   8.4663   3.2198   12.024   0.3277   11.923   7.9786   3.3412   7.4900   3.2368 0.4885941 4.651895 
1 1 1   35    1  -12 o   22.908   1.5990   72.139   9.7770   74.519   14.178   69.981   13.500   22.995   2.3277   22.296   2.2867 0.6990528 3.262969 
1 1 1   35    1  -11 o   21.880   1.6781   65.989   9.7867   71.712   13.920   60.396   13.762   22.554   2.3315   20.589   2.5426 1.965876 3.449792 
1 1 1   35    1  -10 o   21.709   1.0128   63.770   5.9055   63.011   8.0540   64.653   8.6850   21.462   1.4049   21.714   1.4983 -0.2519073 2.053990 
1 1 1   35    1   -9 o   25.655   1.0361   89.085   7.1395   83.981   10.075   94.235   10.119   24.753   1.5227   26.253   1.4406 -1.499863 2.096141 
1 1 1   35    1   -8 o   25.075   1.0894   85.168   7.3371   88.001   11.064   82.943   9.8026   25.303   1.6367   24.611   1.4899 0.6923656 2.213320 
1 1 1   35    1   -7 o   8.1004   2.4792   9.2785   5.8986   7.3676   8.5838   10.988   8.1194   7.9812   2.9801   8.8929   2.9309 -0.9117661 4.179863 
1 1 1   35    1   -6 o   5.4009   2.3165   0.0222   6.0184   1.3223   8.5524  -1.2532   8.4708   6.6274   2.7988   6.1293   2.6872 0.4981079 3.879955 
1 1 1   35    1   -5 o   4.0905   1.9403  -6.6849   5.7325  -1.5437   8.1331 -11.7608   8.0812   5.9533   2.6210   4.5794   2.2071 1.373899 3.426471 
1 1 1   35    1   -4 o   13.533   1.9045   25.686   6.7311   24.111   10.541   26.770   8.7466   12.729   3.1098   13.636   2.4795 -0.9070482 3.977327 
1 1 1   35    1   -3 o   26.935   1.0540   98.201   7.6250  100.650   10.794   95.762   10.773   27.125   1.4873   26.444   1.5231 0.6807327 2.128865 
1 1 1   35    1   -2 o   51.474   0.8135  357.505   11.248  361.248   15.992  353.841   15.823   51.621   1.1534   51.089   1.1531 0.5318680 1.630926 
1 1 1   35    1   -1 o   9.6283   2.4700   13.469   6.4188   12.529   8.8855   14.495   9.2825   9.4248   3.0642   10.016   3.1175 -0.5916357 4.371265 
1 1 1   35    1    0 o   35.789   0.9815  173.189   9.4346  185.122   13.431  161.564   13.256   36.888   1.3556   34.435   1.4332 2.453003 1.972775 
1 1 1   35    1    1 o   60.501   0.8286  493.970   13.464  492.295   19.028  495.649   19.054   60.250   1.1758   60.456   1.1734 -0.2060814 1.661170 
1 1 1   35    1    2 o   15.775   1.6340   34.397   6.8232   41.364   9.6870   27.537   9.6124   17.150   2.1502   13.760   2.6973 3.390479 3.449490 
1 1 1   35    1    3 o   16.513   1.6070   37.625   7.0374   34.970   10.121   40.111   9.7915   15.626   2.4956   16.861   2.2158 -1.235325 3.337299 
1 1 1   35    1    4 o   20.662   1.3248   58.280   7.3133   66.357   10.262   49.946   10.425   21.922   1.7577   18.888   2.0899 3.033924 2.730786 
1 1 1   35    1    5 o   24.039   1.3501   78.861   8.6820   87.678   12.293   70.086   12.264   25.189   1.8295   22.420   2.0595 2.768866 2.754722 
1 1 1   35    1    6 o   25.641   1.1417   89.123   7.8630   83.345   11.138   94.863   11.102   24.604   1.6958   26.298   1.5791 -1.694088 2.317171 
1 1 1   35    1    7 o   33.224   0.9924  149.295   8.8558  154.073   12.589  144.614   12.460   33.636   1.3934   32.577   1.4240 1.058868 1.992375 
1 1 1   35    1    8 o   10.586   2.6131   16.390   7.3853   5.0139   10.990   25.758   9.9730   8.0425   3.2624   13.225   2.8884 -5.182762 4.357291 
1 1 1   35    1    9 o   31.579   1.1541  135.229   9.7893  127.527   14.641  141.456   13.164   30.407   1.8007   32.183   1.5229 -1.775545 2.358381 
1 1 1   35    1   10 o   10.638   2.5941   16.546   7.3451   13.226   10.934   19.276   9.9161   9.8184   3.4006   11.384   3.1407 -1.566133 4.629024 
1 1 1   35    1   11 o   22.396   1.3718   68.541   8.2120   64.606   11.956   72.055   11.299   21.495   2.0976   22.804   1.8610 -1.308689 2.804150 
1 1 1   35    1   12 o   31.061   1.1027  130.735   9.1998  128.863   13.788  132.237   12.351   30.613   1.6833   31.128   1.4773 -0.5154648 2.239657 
1 1 1   35    1   13 o   6.4440   2.6777   1.9769   7.6380   16.667   11.324 -10.2854   10.346   10.703   3.4574   5.6074   2.6437 5.095635 4.352334 
1 1 1   35    1   14 o   14.211   2.2079   28.690   8.1540   25.082   12.129   31.664   11.014   12.878   3.4411   14.685   2.8953 -1.807823 4.497087 
1 1 1   35    1   15 o   29.796   1.3286  120.799   10.633  114.763   16.254  125.314   14.058   28.682   2.1250   30.160   1.7428 -1.477690 2.748302 
1 1 1   35    1   16 o   17.457   1.8532   42.413   8.5563   42.719   12.585   42.150   11.668   17.139   2.8328   17.113   2.6220 0.2605057E-01 3.860023 
1 1 1   35    1   17 o   28.663   1.2343  111.611   9.5023  114.386   14.290  109.411   12.723   28.753   1.8603   28.191   1.6880 0.5614052 2.511996 
1 1 1   35    1   18 o   13.308   2.6414   25.823   9.1081   23.408   14.919   27.257   11.500   12.415   3.9641   13.470   3.2219 -1.054543 5.108347 
1 1 1   35    1   19 o   15.702   2.1617   34.897   8.8749   37.903   13.419   32.559   11.833   15.911   3.2498   14.794   3.0781 1.117214 4.476136 
1 1 1   35    1   20 o   30.039   1.2368  122.693   9.9791  100.124   14.626  142.348   13.649   26.779   2.0490   32.232   1.5767 -5.452311 2.585419 
1 1 1   35    1   21 o   9.8318   3.0499   14.138   8.8925  -2.1973   13.777   25.804   11.642   7.6088   3.3774   13.026   3.3184 -5.417284 4.734785 
1 1 1   35    1   22 o   22.020   1.5880   66.892   9.3288   76.912   13.952   58.790   12.546   23.318   2.2558   20.321   2.3414 2.996534 3.251315 
1 1 1   35    1   23 f   19.124   2.1193   51.711   10.703   59.719   16.484   45.874   14.073   19.990   3.1765   17.515   3.1052 2.475328 4.442100 
1 1 1   35    1   24 o   20.224   2.0880   57.824   11.178   74.369   17.372   46.132   14.604   22.439   2.9542   17.445   3.2358 4.993258 4.381530 
1 1 1   35    1   25 o   7.5992   2.9535   6.2114   8.6482  -8.7249   13.220   17.386   11.435   6.6171   3.0768   10.694   3.4760 -4.076804 4.642107 
1 1 1   35    1   26 o   6.4185   2.7079   1.7498   7.9935   4.9357   11.242  -1.5086   11.369   7.9057   3.2637   6.9109   3.0678 0.9948568 4.479177 
1 1 1   35    1   27 o   21.447   1.6150   64.111   9.2347   66.502   12.823   61.535   13.311   21.484   2.2559   20.527   2.4634 0.9565029 3.340287 
1 1 1   35    1   28 o   24.282   1.4037   81.549   9.1155   72.664   12.675   91.068   13.119   22.501   2.1222   25.336   1.9427 -2.834843 2.877119 
1 1 1   35    1   29 o   21.570   1.5524   65.001   8.9342   69.865   12.591   60.068   12.679   21.981   2.1606   20.218   2.3805 1.763111 3.214766 
1 1 1   35    1   30 o   5.3931   2.4557  -3.2654   7.8252  -9.8312   10.827   3.9159   11.323   5.6347   2.6709   7.5665   3.2092 -1.931745 4.175238 
1 1 1   35    1   31 o   11.780   3.1204   22.545   10.030   19.274   15.127   25.112   13.399   10.718   3.9651   12.043   3.7451 -1.324249 5.454165 
1 1 1   35    1   32 o   8.7580   3.1983   11.610   9.7923   27.014   15.547   1.4790   12.608   12.136   4.0580   7.3677   3.2525 4.768503 5.200557 
1 1 1   35    1   33 o   24.582   1.6011   85.702   10.514   87.955   16.303   84.098   13.756   23.937   2.5763   23.830   2.1731 0.1069775 3.370396 
1 1 1   35    1   34 f   6.3951   2.8211   0.6982   9.4682  -2.8678   13.673   3.9835   13.124   6.9402   3.1922   7.6704   3.3543 -0.7301798 4.630477 
1 1 1   35    2  -25 o   12.927   5.1202   28.210   26.414   28.210   26.414   0.0000   0.0000   12.927   5.1202  ?   ?  0.000000 5.120239 
1 1 1   35    2  -24 o   8.9592   3.5963   8.6890   13.204  -9.2250   23.597   16.856   15.932   8.8676   4.1191   10.774   4.0527 -1.906819 5.778508 
1 1 1   35    2  -23 o   13.044   3.4574   26.738   12.309   25.577   17.530   27.867   17.286   12.576   4.3086   13.034   4.2757 -0.4581804 6.070006 
1 1 1   35    2  -22 o   6.2840   2.9031  -7.0539   11.487  -8.7471   16.593  -5.4957   15.918   7.5363   3.4843   7.6948   3.5032 -0.1584592 4.940954 
1 1 1   35    2  -21 o   9.1967   3.2377   11.673   9.9314   2.5569   17.027   16.374   12.227   8.9113   3.8595   10.550   3.5983 -1.638709 5.276714 
1 1 1   35    2  -20 o   13.056   3.0144   25.653   10.356   8.7530   15.336   39.820   14.042   9.5016   3.8540   16.174   3.3428 -6.672581 5.101710 
1 1 1   35    2  -19 o   23.125   1.6224   73.821   10.013   61.733   14.053   86.289   14.272   20.708   2.5828   24.756   2.1682 -4.048580 3.372233 
1 1 1   35    2  -18 o   35.337   1.1928  169.730   11.321  171.127   16.222  168.404   15.806   35.258   1.7130   34.992   1.6817 0.2661934 2.400534 
1 1 1   35    2  -17 o   14.431   2.4007   29.966   8.9785   26.704   12.788   33.137   12.609   13.194   3.5366   14.826   3.2554 -1.632087 4.806808 
1 1 1   35    2  -16 o   6.3032   2.7513  -0.7896   8.7940   1.5413   12.638  -2.9773   12.244   7.8427   3.3601   7.0893   3.1630 0.7533741 4.614646 
1 1 1   35    2  -15 o   19.170   1.8448   51.114   9.3815   55.745   13.666   46.986   12.902   19.684   2.6525   17.999   2.7566 1.684401 3.825456 
1 1 1   35    2  -14 o   8.9668   3.2569   10.279   10.135   19.163   20.411   7.3723   11.676   11.971   4.5673   8.6304   3.4087 3.340496 5.699075 
1 1 1   35    2  -13 o   4.0706   2.0342 -24.0098   9.1985 -25.6086   14.758 -22.9941   11.763   5.7982   2.8368   5.0342   2.4771 0.7640176 3.766070 
1 1 1   35    2  -12 o   8.6227   3.2639   8.5913   10.372   2.1500   12.287   24.562   19.348   7.8602   3.3389   12.816   4.5182 -4.955626 5.618006 
1 1 1   35    2  -11 o   32.018   1.4068  139.777   12.098  151.642   15.493  121.236   19.367   33.173   1.7450   29.265   2.4875 3.908026 3.038508 
1 1 1   35    2  -10 o   4.6452   1.9517   0.5612   4.1246   4.0745   5.8826  -2.8362   5.7848   6.3715   2.4469   4.7159   2.1331 1.655532 3.246174 
1 1 1   35    2   -9 o   7.4277   2.5905   7.1388   6.3500   8.0443   7.6924   5.2020   11.250   7.9608   2.8444   8.1234   3.2988 -0.1625772 4.355780 
1 1 1   35    2   -8 o   18.888   1.3233   48.783   6.6710   46.474   9.1037   51.461   9.8037   18.267   1.8825   19.216   1.9254 -0.9487514 2.692743 
1 1 1   35    2   -7 o   16.574   1.4890   37.803   6.5578   43.997   9.3076   31.697   9.2409   17.733   1.9884   14.877   2.3937 2.855394 3.111901 
1 1 1   35    2   -6 o   7.6545   2.5632   7.9118   6.2026   9.4071   8.9820   6.5488   8.5758   8.5654   3.0722   7.7629   2.9608 0.8024344 4.266675 
1 1 1   35    2   -5 o   8.1008   2.5999   9.1513   6.4112  -0.9862   9.6796   17.075   8.5575   6.5870   2.8806   10.749   2.8980 -4.162005 4.086098 
1 1 1   35    2   -4 o   41.152   1.0610  229.371   11.727  214.595   18.143  239.973   15.369   39.538   1.7085   41.976   1.3632 -2.438427 2.185669 
1 1 1   35    2   -3 o   36.823   0.9327  183.302   9.2248  178.684   13.428  187.429   12.694   36.215   1.3805   37.131   1.2729 -0.9153748 1.877759 
1 1 1   35    2   -2 o   9.2399   2.5862   12.409   6.6718   6.8553   9.5395   17.727   9.3346   8.0614   3.1107   10.934   3.0586 -2.872184 4.362527 
1 1 1   35    2   -1 o   16.149   1.6538   36.097   7.0722   47.214   10.297   26.170   9.7302   18.327   2.1317   13.348   2.8032 4.978713 3.521606 
1 1 1   35    2    0 o   20.392   1.3202   56.808   7.1922   53.826   10.112   59.861   10.232   19.654   1.9408   20.768   1.8538 -1.113680 2.683893 
1 1 1   35    2    1 o   7.1527   2.6056   6.1344   6.4936   0.6698   9.1251   11.741   9.2428   6.6863   2.8596   9.2251   3.1287 -2.538841 4.238638 
1 1 1   35    2    2 o   22.826   1.2288   70.973   7.5061   64.444   10.572   77.610   10.659   21.557   1.8435   23.730   1.6833 -2.173101 2.496422 
1 1 1   35    2    3 o   12.076   2.1880   20.854   6.8354   20.824   9.4689   20.887   9.8776   11.838   2.9801   11.835   3.0783 0.3490448E-02 4.284486 
1 1 1   35    2    4 o   5.1476   2.3080  -2.5425   6.6056 -12.1139   9.3946   6.8165   9.2898   5.0638   2.4246   7.9938   3.0738 -2.929970 3.914950 
1 1 1   35    2    5 o   8.5013   2.7807   10.053   7.3134  -6.9561   9.7073   32.381   11.122   5.7511   2.6611   14.847   2.8930 -9.095462 3.930769 
1 1 1   35    2    6 o   17.029   1.6083   40.044   7.2691   44.303   10.207   35.662   10.355   17.722   2.1911   15.745   2.5345 1.976855 3.350279 
1 1 1   35    2    7 o   33.922   1.0000  155.723   9.1114  154.680   13.013  156.727   12.761   33.672   1.4389   33.908   1.4012 -0.2358246 2.008448 
1 1 1   35    2    8 o   32.248   1.0693  140.889   9.2617  136.581   13.353  144.884   12.857   31.592   1.5736   32.577   1.4694 -0.9850502 2.153044 
1 1 1   35    2    9 o   18.991   1.5527   49.646   7.8509   34.798   10.725   66.788   11.524   15.490   2.6745   21.891   1.9814 -6.400738 3.328517 
1 1 1   35    2   10 o   24.017   1.2668   78.633   8.1431   75.080   11.668   82.007   11.370   23.259   1.8840   24.368   1.7488 -1.108921 2.570539 
1 1 1   35    2   11 o   15.740   1.9018   34.647   7.8768   43.238   11.972   28.089   10.460   17.310   2.6601   13.791   2.9149 3.518721 3.946225 
1 1 1   35    2   12 o   20.775   1.4764   59.222   8.1846   77.430   12.628   46.034   10.747   23.566   2.0145   18.034   2.2690 5.532185 3.034200 
1 1 1   35    2   13 o   10.664   2.6641   16.714   7.6086   16.257   11.375   17.084   10.236   10.584   3.4682   10.747   3.2610 -0.1635199 4.760491 
1 1 1   35    2   14 o   20.211   1.9173   56.900   10.283   59.285   15.271   54.921   13.910   20.191   2.8991   19.505   2.7301 0.6859589 3.982226 
1 1 1   35    2   15 o   16.247   1.9495   36.989   8.3373   33.677   12.325   39.782   11.320   15.015   3.1563   16.592   2.6278 -1.576792 4.107053 
1 1 1   35    2   16 o   18.218   1.9071   46.336   9.1934   37.985   15.337   51.019   11.486   15.699   3.6982   18.968   2.3016 -3.269241 4.355897 
1 1 1   35    2   17 o   29.930   1.2154  121.778   9.7704  112.999   14.369  129.327   13.325   28.533   1.8856   30.659   1.6239 -2.125898 2.488498 
1 1 1   35    2   18 o   15.175   2.2297   32.824   8.8170   38.562   13.291   28.315   11.783   16.033   3.1986   13.669   3.2558 2.363959 4.564078 
1 1 1   35    2   19 o   24.125   1.5653   80.164   10.088   80.764   14.662   79.625   13.901   23.868   2.3164   23.757   2.2036 0.1110878 3.197089 
1 1 1   35    2   20 o   13.378   2.4724   26.060   8.5564   19.107   12.768   31.728   11.528   11.252   3.6738   14.536   3.0500 -3.283293 4.774879 
1 1 1   35    2   21 o   19.279   1.8685   52.029   9.5540   45.251   13.270   59.322   13.766   17.464   2.9331   20.239   2.5920 -2.774771 3.914279 
1 1 1   35    2   22 o   20.535   1.6888   58.637   9.2318   65.791   13.833   52.891   12.396   21.371   2.4544   19.129   2.4704 2.241707 3.482401 
1 1 1   35    2   23 o   14.413   2.8052   31.089   10.468   31.103   16.166   31.078   13.738   13.771   4.0803   13.984   3.6269 -0.2129765 5.459205 
1 1 1   35    2   24 o   18.511   1.8849   48.364   9.2407   53.332   13.929   44.458   12.350   18.909   2.8294   17.284   2.7526 1.625343 3.947438 
1 1 1   35    2   25 o   16.469   2.0952   38.950   9.0581   33.366   14.047   42.925   11.852   14.346   3.6396   16.965   2.6907 -2.619324 4.526212 
1 1 1   35    2   26 o   18.247   2.3655   48.729   11.321   42.167   17.277   53.667   14.986   15.749   4.0588   18.646   3.1012 -2.897866 5.108022 
1 1 1   35    2   27 o   22.511   1.7073   71.330   10.246   61.961   14.199   81.507   14.799   20.323   2.6655   23.590   2.3676 -3.267412 3.565144 
1 1 1   35    2   28 o   5.9214   2.6267  -1.0315   8.3211   9.9577   12.291 -10.3291   11.306   8.8196   3.4929   5.7375   2.7225 3.082165 4.428595 
1 1 1   35    2   29 f   11.098   2.8222   19.460   8.4317   18.989   11.832   19.947   12.018   10.682   3.5390   10.908   3.5645 -0.2261324 5.022987 
1 1 1   35    2   30 o   7.4042   3.0394   5.4991   9.6807   1.6875   14.229   8.7840   13.209   7.7367   3.4333   8.5921   3.5414 -0.8554254 4.932476 
1 1 1   35    2   31 o   9.0116   3.1457   12.929   9.3649   13.477   13.889   12.472   12.682   9.3862   3.7143   9.1081   3.5664 0.2781239 5.149300 
1 1 1   35    2   32 o   15.622   2.2503   36.861   9.1698   32.580   12.873   41.272   13.066   13.620   3.4999   15.707   3.2055 -2.087133 4.746000 
1 1 1   35    3  -24 o   12.738   4.9767   28.700   24.654   28.700   24.654   0.0000   0.0000   12.738   4.9767  ?   ?  0.000000 4.976748 
1 1 1   35    3  -23 o   7.8701   3.5750  -3.6285   16.458  -3.6285   16.458   0.0000   0.0000   7.8701   3.5750  ?   ?  0.000000 3.574972 
1 1 1   35    3  -22 o   9.2752   3.5038   11.464   11.938   0.5858   17.205   21.563   16.577   8.5414   3.7836   11.649   4.1741 -3.107567 5.633723 
1 1 1   35    3  -21 o   20.817   2.3794   62.586   13.065   88.252   18.141   34.929   18.831   24.436   2.8155   14.325   4.4373 10.11030 5.255124 
1 1 1   35    3  -20 o   16.556   2.4128   39.758   10.414   43.003   17.164   37.867   13.100   16.298   3.9601   15.726   3.2101 0.5715694 5.097726 
1 1 1   35    3  -19 o   7.8609   3.2402   4.6099   11.058   16.327   17.665  -2.9405   14.181   10.984   4.2345   7.5452   3.3825 3.438671 5.419619 
1 1 1   35    3  -18 o   14.787   2.3818   31.624   9.1380   37.275   13.057   26.199   12.793   15.668   3.2107   12.955   3.5645 2.712487 4.797343 
1 1 1   35    3  -17 o   27.813   1.3739  105.726   10.263  107.148   14.964  104.463   14.103   27.653   2.0289   27.355   1.9320 0.2975121 2.801572 
1 1 1   35    3  -16 o   18.227   1.8955   46.510   9.1437   37.403   12.845   55.864   13.018   15.777   3.1417   19.707   2.5171 -3.929212 4.025620 
1 1 1   35    3  -15 o   10.822   3.0800   17.549   9.3812   5.0737   13.678   28.630   12.891   8.6103   3.5810   13.632   3.5020 -5.022055 5.008774 
1 1 1   35    3  -14 o   24.680   1.5098   83.695   9.9604   77.288   14.108   90.061   14.064   23.379   2.2756   25.352   2.0839 -1.972179 3.085578 
1 1 1   35    3  -13 o   13.740   2.7083   27.705   9.6398   22.556   15.435   30.997   12.343   12.179   4.0425   14.309   3.2814 -2.130412 5.206623 
1 1 1   35    3  -12 o   20.354   1.9817   57.938   10.696   50.251   17.558   62.474   13.488   18.069   3.7410   20.934   2.4449 -2.865349 4.469100 
1 1 1   35    3  -11 o   28.734   1.4893  113.183   11.454   93.386   18.047  126.538   14.823   25.519   2.6727   30.231   1.8342 -4.711905 3.241528 
1 1 1   35    3  -10 o   7.4194   2.4411   7.5227   5.6332   8.0265   6.2934   5.4924   12.634   7.6952   2.5818   8.4823   3.4760 -0.7871165 4.329942 
1 1 1   35    3   -9 f   6.1147   2.4451   2.9372   6.0778   2.8600   7.2350   3.1222   11.203   6.4906   2.6417   7.7203   3.2284 -1.229717 4.171456 
1 1 1   35    3   -8 o   15.792   1.6286   34.544   6.8089   45.286   9.3126   22.206   9.9804   17.992   1.9587   12.183   3.0554 5.808866 3.629373 
1 1 1   35    3   -7 o   10.523   2.4412   16.154   6.7659   19.864   9.0605   11.476   10.173   11.558   2.9182   9.2572   3.2748 2.300536 4.386359 
1 1 1   35    3   -6 o   9.2281   2.5872   12.410   6.6710   20.510   8.9118   2.0866   10.061   11.762   2.8507   7.2203   3.0416 4.541870 4.168649 
1 1 1   35    3   -5 o   35.826   0.9371  173.578   9.0169  171.077   12.436  176.349   13.093   35.451   1.3061   35.974   1.3550 -0.5236359 1.881999 
1 1 1   35    3   -4 o   5.2581   2.3565  -2.5543   6.8773  -4.0651   8.8303  -0.2249   10.965   5.8026   2.6291   7.1042   3.0870 -1.301545 4.054795 
1 1 1   35    3   -3 o   22.918   1.2237   71.573   7.5054   74.096   10.669   69.101   10.561   23.155   1.7279   22.340   1.7747 0.8155956 2.476883 
1 1 1   35    3   -2 o   8.6133   2.6350   10.622   6.6641   12.864   9.2482   8.2008   9.6113   9.5159   3.1277   8.3717   3.1480 1.144197 4.437574 
1 1 1   35    3   -1 o   19.366   1.5644   51.664   8.0680   58.177   11.870   46.070   11.000   20.316   2.2109   18.007   2.3288 2.308847 3.211179 
1 1 1   35    3    0 o   21.359   1.3776   62.436   7.8610   63.823   11.255   61.116   10.985   21.385   1.9820   20.925   1.9779 0.4603348 2.800072 
1 1 1   35    3    1 o   25.007   1.1990   84.945   8.0532   88.000   11.647   82.148   11.147   25.245   1.7281   24.393   1.7122 0.8513603 2.432727 
1 1 1   35    3    2 o   31.244   1.0861  132.332   9.1144  127.036   13.831  136.396   12.117   30.363   1.7029   31.614   1.4271 -1.250879 2.221810 
1 1 1   35    3    3 o   28.743   1.1065  112.035   8.5424   99.328   12.236  124.117   11.931   26.836   1.7065   30.141   1.4738 -3.305193 2.254816 
1 1 1   35    3    4 o   9.3394   3.0033   12.460   8.5518   4.6020   12.336   19.730   11.866   8.2664   3.4162   11.468   3.5174 -3.201201 4.903372 
1 1 1   35    3    5 o   15.873   1.8201   35.144   7.6194   27.710   11.260   41.423   10.348   13.596   3.1460   17.065   2.3176 -3.469818 3.907514 
1 1 1   35    3    6 o   21.224   1.4136   61.716   8.0122   54.416   11.472   68.670   11.195   19.639   2.2133   22.223   1.8937 -2.583296 2.912884 
1 1 1   35    3    7 o   8.3169   2.8662   9.2804   7.7625   17.925   11.837   2.7577   10.282   11.011   3.5326   7.4044   3.0942 3.606252 4.696091 
1 1 1   35    3    8 o   35.038   1.0813  166.414   10.176  174.544   15.014  159.506   13.839   35.701   1.5657   34.153   1.5087 1.548958 2.174288 
1 1 1   35    3    9 f   10.317   2.6695   15.665   7.4539   16.063   10.298   15.227   10.802   10.456   3.2885   10.267   3.3805 0.1892614 4.716162 
1 1 1   35    3   10 o   22.111   1.3705   66.903   8.0989   73.821   11.474   60.034   11.434   23.051   1.8693   20.686   2.0863 2.364481 2.801266 
1 1 1   35    3   11 o   11.187   2.7300   18.491   8.1304   24.957   11.993   12.992   11.060   12.800   3.4224   9.7296   3.4173 3.069963 4.836348 
1 1 1   35    3   12 o   30.202   1.1260  123.791   9.1343  129.617   12.940  118.003   12.896   30.715   1.5738   29.271   1.6470 1.443535 2.278054 
1 1 1   35    3   13 o   17.508   2.0209   43.081   9.3288   40.383   15.489   44.618   11.686   16.192   3.6488   17.602   2.5458 -1.409914 4.449156 
1 1 1   35    3   14 o   26.170   1.5684   94.231   10.973   90.385   14.922   98.759   16.192   25.329   2.2157   26.435   2.3035 -1.105907 3.196197 
1 1 1   35    3   15 o   16.845   2.0026   39.937   8.8827   44.229   13.907   36.980   11.545   17.219   3.1218   15.860   2.8131 1.359207 4.202270 
1 1 1   35    3   16 o   11.267   2.8462   18.964   8.6158  -1.8722   13.356   33.816   11.276   7.5114   3.3301   15.105   2.8845 -7.593393 4.405720 
1 1 1   35    3   17 o   18.936   1.9248   50.277   9.6535   56.361   15.040   46.015   12.589   19.536   2.9591   17.740   2.7295 1.795933 4.025727 
1 1 1   35    3   18 o   20.746   1.7191   59.831   9.4927   68.994   14.583   53.095   12.504   21.877   2.5284   19.185   2.4850 2.692358 3.545171 
1 1 1   35    3   19 o   14.633   2.6268   31.516   9.9449   44.648   15.231   21.759   13.130   17.003   3.4530   11.815   3.7127 5.188030 5.070274 
1 1 1   35    3   20 o   11.666   2.8635   20.595   8.9058   9.8763   14.087   27.731   11.494   9.3763   3.7312   13.400   3.2312 -4.023589 4.935815 
1 1 1   35    3   21 o   30.203   1.3305  124.984   10.794  124.950   15.112  125.020   15.422   29.844   1.8951   29.825   1.9357 0.1900101E-01 2.708870 
1 1 1   35    3   22 o   20.163   1.9714   57.647   10.540   45.378   18.259   63.777   12.907   16.456   4.1360   21.006   2.3267 -4.550163 4.745502 
1 1 1   35    3   23 o   14.855   2.3854   32.443   9.1952   22.790   13.956   39.849   12.223   11.812   3.8402   16.171   2.9218 -4.358685 4.825316 
1 1 1   35    3   24 o   5.6254   2.5646  -3.7753   8.5680   3.4781   13.472  -8.7014   11.103   8.0465   3.4589   5.8819   2.7624 2.164633 4.426565 
1 1 1   35    3   25 o   14.167   2.6015   30.362   9.5347   15.140   15.258   40.116   12.213   10.141   3.9282   16.106   2.9311 -5.965114 4.901252 
1 1 1   35    3   26 o   19.178   1.7354   52.159   8.8425   41.918   13.271   60.335   11.858   16.232   3.1578   20.317   2.2085 -4.085949 3.853478 
1 1 1   35    3   27 o   15.449   2.0602   34.874   8.3355   36.678   11.465   32.851   12.140   15.284   2.8990   14.175   3.2570 1.108420 4.360307 
1 1 1   35    3   28 o   18.937   1.8161   51.509   9.1239   66.950   12.312   32.703   13.588   21.316   2.1812   13.740   3.6282 7.576134 4.233418 
1 1 1   35    3   29 o   8.1646   3.1635   9.2475   9.8978   12.528   13.092   4.8709   15.121   9.1500   3.6109   8.2198   3.5973 0.9301519 5.097001 
1 1 1   35    3   30 o   27.172   1.3990  103.610   10.176  104.212   14.413  103.012   14.368   26.632   2.0302   26.470   2.0365 0.1612453 2.875616 
1 1 1   35    3   31 o   6.2121   2.7080   1.3606   8.4943  -5.1644   11.981   7.9543   12.044   6.2594   2.9167   8.0548   3.3560 -1.795366 4.446338 
1 1 1   35    4  -22 o   24.540   3.1406   93.412   20.226   93.412   20.226   0.0000   0.0000   24.540   3.1406  ?   ?  0.000000 3.140638 
1 1 1   35    4  -21 o   14.669   4.1374   37.088   17.007   37.088   17.007   0.0000   0.0000   14.669   4.1374  ?   ?  0.000000 4.137360 
1 1 1   35    4  -20 o   10.311   3.5485   16.327   11.897   7.4432   16.793   25.277   16.856   9.2811   3.9207   12.297   4.2244 -3.016163 5.763461 
1 1 1   35    4  -19 o   7.1041   2.9873   2.8126   9.6771   5.2168   16.256   1.4929   12.043   8.9387   3.8197   7.5063   3.2485 1.432359 5.014236 
1 1 1   35    4  -18 o   12.636   3.2547   24.905   11.113   13.493   17.211   33.066   14.554   10.351   4.1226   14.312   3.7434 -3.961056 5.568575 
1 1 1   35    4  -17 o   22.594   1.7985   71.385   10.824   78.055   17.367   67.149   13.840   22.957   2.8799   21.563   2.4323 1.394733 3.769560 
1 1 1   35    4  -16 o   44.111   1.1526  264.956   13.656  254.488   19.612  274.806   19.025   42.884   1.7027   44.650   1.5864 -1.766182 2.327228 
1 1 1   35    4  -15 o   18.657   1.9303   48.959   9.5333   56.930   13.568   41.187   13.398   19.781   2.6181   16.505   3.1369 3.275206 4.085905 
1 1 1   35    4  -14 o   18.234   1.9690   46.814   9.4902   38.718   13.904   53.877   12.986   15.889   3.3628   19.280   2.5718 -3.391056 4.233513 
1 1 1   35    4  -13 o   14.982   2.3668   32.384   9.2075   46.162   13.428   20.158   12.650   17.652   2.9353   11.480   3.6485 6.171897 4.682716 
1 1 1   35    4  -12 o   9.6491   3.0978   13.586   9.1017   16.225   14.700   11.945   11.591   10.752   3.9198   9.4967   3.4779 1.254910 5.240238 
1 1 1   35    4  -11 f   21.893   1.8001   66.668   10.492   57.820   16.605   72.547   13.536   19.632   3.2637   22.628   2.2573 -2.995279 3.968214 
1 1 1   35    4  -10 o   9.9823   2.3371   14.554   6.1557   16.222   7.0428   9.1554   12.670   10.498   2.5280   9.1129   3.5657 1.384922 4.370918 
1 1 1   35    4   -9 o   7.3589   2.5668   7.0756   6.2345  -6.3197   7.7236   32.126   10.562   5.0349   2.3447   14.780   2.7621 -9.745417 3.623102 
1 1 1   35    4   -8 o   23.010   1.1662   72.123   7.1841   73.450   10.722   71.042   9.6778   23.022   1.7470   22.697   1.5977 0.3249245 2.367442 
1 1 1   35    4   -7 o   18.362   1.3527   46.232   6.6242   39.446   9.4759   52.717   9.2638   16.682   2.1660   19.469   1.7916 -2.787436 2.810984 
1 1 1   35    4   -6 o   19.647   1.3866   52.942   7.2702   56.646   9.9837   48.761   10.608   20.161   1.8648   18.575   2.1670 1.586756 2.858879 
1 1 1   35    4   -5 o   5.8794   2.5042   0.6023   6.9465   0.1545   9.2555   1.1799   10.511   6.6118   2.8546   7.1775   3.0694 -0.5657763 4.191636 
1 1 1   35    4   -4 o   13.722   2.2719   26.994   8.0805   29.233   9.7395   22.048   14.475   14.139   2.6623   12.035   3.9108 2.103904 4.730937 
1 1 1   35    4   -3 o   7.2108   2.7148   5.8486   7.1521   16.032   9.4554  -7.7699   10.934   10.399   3.1295   6.0673   2.8133 4.332130 4.208122 
1 1 1   35    4   -2 o   8.2906   2.8016   9.4114   7.4109   3.9533   9.7617   16.837   11.386   7.4715   3.0579   10.689   3.4683 -3.217514 4.623817 
1 1 1   35    4   -1 o   7.6191   2.7714   7.1585   7.3421   11.065   9.2446   0.4846   12.083   9.0077   3.1265   7.5188   3.2538 1.488958 4.512457 
1 1 1   35    4    0 o   14.721   1.8754   30.401   7.2471   26.501   9.9865   34.739   10.533   13.370   2.8669   15.460   2.6309 -2.089223 3.891107 
1 1 1   35    4    1 o   18.729   1.5289   48.336   7.6239   49.436   10.647   47.179   10.922   18.713   2.1578   18.225   2.2812 0.4887257 3.140090 
1 1 1   35    4    2 o   9.8162   2.6847   14.182   7.2826   16.939   10.162   11.271   10.442   10.670   3.2517   9.2240   3.3121 1.446016 4.641504 
1 1 1   35    4    3 o   28.549   1.1749  110.733   9.0090  104.155   13.269  116.357   12.271   27.416   1.8122   29.091   1.5763 -1.675211 2.401861 
1 1 1   35    4    4 o   10.749   2.6831   17.073   7.7224   8.5855   10.177   28.590   11.856   8.5505   3.2340   13.737   3.2619 -5.186880 4.593310 
1 1 1   35    4    5 o   17.383   1.6652   41.889   7.6796   46.807   10.791   36.843   10.931   18.156   2.2619   15.919   2.6499 2.237877 3.483941 
1 1 1   35    4    6 o   18.407   1.5589   46.760   7.6348   34.284   10.731   59.550   10.865   15.317   2.7074   20.627   1.9857 -5.309965 3.357522 
1 1 1   35    4    7 o   24.980   1.3067   85.259   8.7369   78.258   12.473   92.004   12.242   23.668   1.9803   25.767   1.7798 -2.099701 2.662515 
1 1 1   35    4    8 o   13.891   2.1855   27.554   7.8849   35.096   11.089   19.841   11.214   15.465   2.7714   11.446   3.3998 4.019347 4.386280 
1 1 1   35    4    9 o   6.2571   2.6394   1.3090   7.5929   3.4360   10.426  -1.0929   11.079   7.5398   3.1303   6.9785   3.0660 0.5613112 4.381720 
1 1 1   35    4   10 o   8.2759   2.8790   9.2005   7.8408  -1.3561   11.028   19.993   11.150   6.9194   3.0489   11.473   3.3859 -4.553353 4.556303 
1 1 1   35    4   11 f   17.250   2.0540   42.004   9.3298   48.579   14.518   37.380   12.177   18.052   3.1064   15.856   2.9683 2.195512 4.296610 
1 1 1   35    4   12 o   20.274   1.5901   56.815   8.5894   54.697   12.168   58.918   12.126   19.561   2.3640   20.364   2.2548 -0.8030643 3.266939 
1 1 1   35    4   13 o   26.799   1.3576   98.374   9.7399  108.905   13.365   86.448   14.223   28.003   1.7863   24.746   2.1616 3.257414 2.804185 
1 1 1   35    4   14 o   9.2952   2.8635   12.687   7.8544   18.579   11.173   6.9308   11.043   11.049   3.4173   8.3182   3.3056 2.730783 4.754471 
1 1 1   35    4   15 o   25.009   1.3326   85.729   8.9191   91.489   12.631   80.001   12.596   25.602   1.8492   23.865   1.9831 1.737331 2.711519 
1 1 1   35    4   16 o   14.327   2.3821   29.835   8.8446   34.332   14.069   26.897   11.373   14.767   3.5835   13.208   3.2322 1.558660 4.825834 
1 1 1   35    4   17 o   24.012   1.4351   79.443   9.2132   95.544   13.898   66.820   12.306   26.039   2.0025   21.678   2.1414 4.361427 2.931842 
1 1 1   35    4   18 o   7.4444   2.9167   5.8311   8.4863   1.6181   12.565   9.3652   11.508   7.6836   3.3216   8.8137   3.4122 -1.130106 4.761938 
1 1 1   35    4   19 o   17.402   2.1424   43.469   9.8022   34.817   14.483   50.783   13.315   14.673   3.6811   18.453   2.7723 -3.780498 4.608268 
1 1 1   35    4   20 o   17.795   1.9470   45.061   9.1540   43.024   13.346   46.871   12.579   16.715   3.0866   17.696   2.7347 -0.9816170 4.123758 
1 1 1   35    4   21 o   19.582   2.0965   55.115   10.855   52.844   16.677   56.785   14.298   18.132   3.5514   19.384   2.8297 -1.252060 4.540895 
1 1 1   35    4   22 o   11.680   2.9800   21.437   9.3793   9.9495   13.014   33.852   13.529   8.9850   3.5829   14.368   3.5309 -5.383490 5.030333 
1 1 1   35    4   23 o   12.224   2.8482   23.342   9.1778   31.612   12.783   14.544   13.185   13.863   3.4476   9.8236   3.6884 4.039613 5.048771 
1 1 1   35    4   24 o   6.6644   2.7864   3.1053   8.3440   3.5307   12.114   2.7213   11.509   7.6434   3.2826   7.3852   3.1859 0.2582183 4.574388 
1 1 1   35    4   25 o   15.123   2.2200   33.929   8.7491   25.680   13.039   40.684   11.800   12.172   3.6776   16.145   2.8241 -3.972906 4.636855 
1 1 1   35    4   26 o   29.934   1.2313  123.839   9.8992  134.196   14.750  115.350   13.353   30.628   1.8010   28.431   1.7572 2.196480 2.516209 
1 1 1   35    4   27 o   12.845   2.5687   25.754   8.5525   27.449   11.584   23.723   12.681   12.664   3.3528   11.540   3.6514 1.124298 4.957200 
1 1 1   35    4   28 o   15.790   2.4222   38.330   9.9452   41.873   13.298   33.833   14.981   15.762   3.2491   13.419   3.9145 2.343124 5.087214 
1 1 1   35    4   29 o   9.9083   3.0822   16.708   9.0748   15.685   12.110   18.017   13.706   9.5262   3.5430   9.9947   3.7590 -0.4685249 5.165535 
1 1 1   35    5  -21 f   9.2744   4.1907   2.8900   22.263   2.8900   22.263   0.0000   0.0000   9.2744   4.1907  ?   ?  0.000000 4.190743 
1 1 1   35    5  -20 o   13.183   4.2586   31.236   17.180   31.236   17.180   0.0000   0.0000   13.183   4.2586  ?   ?  0.000000 4.258620 
1 1 1   35    5  -19 o   27.109   2.7188  110.247   19.530  110.247   19.530   0.0000   0.0000   27.109   2.7188  ?   ?  0.000000 2.718836 
1 1 1   35    5  -18 o   7.2836   3.3637  -6.5395   15.401  -6.5395   15.401   0.0000   0.0000   7.2836   3.3637  ?   ?  0.000000 3.363708 
1 1 1   35    5  -17 o   14.689   3.0696   33.480   11.720   50.585   17.535   19.667   15.757   17.542   3.8290   11.153   4.0594 6.389341 5.580367 
1 1 1   35    5  -16 o   17.874   2.3254   46.430   10.899   65.040   18.481   36.505   13.496   20.308   3.5153   15.187   3.3939 5.120946 4.886350 
1 1 1   35    5  -15 o   23.719   1.7609   78.759   11.138   87.396   17.842   73.244   14.257   24.285   2.7858   22.487   2.3976 1.798630 3.675472 
1 1 1   35    5  -14 o   15.648   2.6050   36.176   10.564   40.289   17.481   33.809   13.259   15.567   4.1175   14.658   3.4288 0.9092255 5.358234 
1 1 1   35    5  -13 o   21.865   1.8157   66.968   10.567   75.790   17.558   61.958   13.231   22.535   2.9735   20.698   2.4260 1.837433 3.837592 
1 1 1   35    5  -12 o   14.852   2.3640   32.033   9.1146   22.492   12.894   41.562   12.886   11.950   3.6668   16.616   2.9976 -4.666085 4.736191 
1 1 1   35    5  -11 o   25.851   1.4455   91.980   9.9967   83.698   14.468   99.548   13.829   24.243   2.2474   26.639   1.9463 -2.395813 2.973019 
1 1 1   35    5  -10 f   14.793   1.6826   30.594   6.5666   26.069   7.6120   43.756   12.983   13.462   2.1797   17.134   2.9262 -3.672104 3.648794 
1 1 1   35    5   -9 o   18.433   1.4801   46.914   7.2662   48.784   9.4886   44.264   11.299   18.628   1.9242   17.485   2.4750 1.142925 3.134946 
1 1 1   35    5   -8 o   15.154   1.7463   32.143   6.9777   38.539   11.461   28.376   8.7959   16.178   2.7349   13.965   2.4335 2.213552 3.660836 
1 1 1   35    5   -7 o   29.274   1.0015  116.212   7.8747  115.626   11.423  116.742   10.871   29.004   1.4711   29.212   1.3855 -0.2083778 2.020838 
1 1 1   35    5   -6 o   40.396   0.8754  220.764   9.4986  213.645   13.456  227.835   13.410   39.582   1.2657   40.897   1.2208 -1.314873 1.758517 
1 1 1   35    5   -5 o   35.248   1.0085  168.465   9.5477  162.686   14.543  172.843   12.657   34.402   1.5739   35.580   1.3245 -1.177357 2.057068 
1 1 1   35    5   -4 o   31.738   1.0366  136.650   8.8370  137.606   11.893  135.472   13.204   31.720   1.3960   31.400   1.5656 0.3199406 2.097611 
1 1 1   35    5   -3 o   10.799   2.4902   17.168   7.0754   23.725   9.7774   9.9593   10.252   12.563   2.9482   8.8396   3.2654 3.723854 4.399385 
1 1 1   35    5   -2 o   27.857   1.1917  105.600   8.9168  114.864   12.785   96.826   12.442   28.834   1.6579   26.416   1.7638 2.417343 2.420623 
1 1 1   35    5   -1 o   35.295   1.0082  168.885   9.5578  179.428   13.182  157.199   13.878   36.244   1.3542   33.847   1.5266 2.396301 2.040609 
1 1 1   35    5    0 o   26.309   1.2481   94.306   8.8200  102.627   11.881   84.091   13.164   27.263   1.6300   24.489   2.0193 2.774672 2.595101 
1 1 1   35    5    1 o   15.837   1.8724   35.213   7.8105   16.994   10.186   61.210   12.168   10.639   3.2582   20.778   2.2144 -10.13929 3.939474 
1 1 1   35    5    2 o   17.412   1.7753   42.305   8.1863   46.481   10.858   36.804   12.461   18.044   2.2921   15.664   3.0716 2.379806 3.832532 
1 1 1   35    5    3 o   28.218   1.3946  108.888   10.570  104.000   13.989  115.391   16.136   27.300   1.9200   28.651   2.1117 -1.351563 2.854052 
1 1 1   35    5    4 o   23.658   1.3681   76.734   8.6562   94.836   11.863   56.122   12.659   26.170   1.6969   19.774   2.4350 6.396479 2.967948 
1 1 1   35    5    5 o   8.7375   2.7939   10.966   7.4088   9.5480   10.294   12.491   10.671   8.7461   3.2639   9.4947   3.3546 -0.7485380 4.680461 
1 1 1   35    5    6 o   10.950   2.9050   18.020   8.6843   30.644   11.089  -2.0031   13.965   14.287   2.9860   7.6312   3.3932 6.655402 4.519957 
1 1 1   35    5    7 o   15.703   2.0850   35.031   8.5766   38.352   10.944   29.746   13.806   16.211   2.6016   13.755   3.6693 2.455481 4.497958 
1 1 1   35    5    8 o   25.932   1.4570   92.475   10.107   89.394   14.078   95.752   14.521   25.182   2.1005   26.072   2.0911 -0.8905334 2.963964 
1 1 1   35    5    9 o   9.7664   2.9569   14.192   8.4223   15.406   10.824   12.331   13.408   10.204   3.3851   9.7781   3.7087 0.4257431 5.021285 
1 1 1   35    5   10 f   22.403   1.5021   69.246   8.9859   61.094   11.647   81.238   14.125   20.764   2.1179   23.908   2.2252 -3.144106 3.071995 
1 1 1   35    5   11 o   18.355   1.8089   47.199   8.8020   48.811   11.404   44.824   13.844   18.411   2.3605   17.225   3.1066 1.185411 3.901645 
1 1 1   35    5   12 o   31.229   1.4151  133.807   11.870  132.238   15.080  136.363   19.246   30.778   1.8325   30.895   2.3366 -0.1170025 2.969478 
1 1 1   35    5   13 o   11.825   2.7669   21.085   8.6318   20.637   11.154   21.755   13.629   11.507   3.3837   11.737   3.7932 -0.2300119 5.083042 
1 1 1   35    5   14 o   11.584   2.6529   20.151   8.0764   21.916   11.138   18.195   11.728   11.824   3.3528   10.846   3.5201 0.9785995 4.861321 
1 1 1   35    5   15 o   5.5400   2.5117  -3.3680   8.0742   3.3982   11.249 -10.5597   11.597   7.6189   3.2132   5.8984   2.7864 1.720517 4.253081 
1 1 1   35    5   16 o   12.371   2.6131   23.004   8.4104   20.910   11.343   25.560   12.534   11.477   3.4218   12.594   3.5517 -1.116918 4.931841 
1 1 1   35    5   17 o   7.0853   2.8015   5.1356   7.8951   7.0383   11.120   3.2018   11.211   8.1956   3.2966   7.5255   3.1926 0.6700768 4.589168 
1 1 1   35    5   18 o   6.5690   2.7622   2.3800   8.2727  -7.3218   10.826   15.998   12.826   5.9427   2.7703   10.212   3.6703 -4.269521 4.598378 
1 1 1   35    5   19 o   10.932   3.1144   18.975   9.5870   24.188   13.322   13.375   13.808   12.025   3.7334   9.7043   3.7430 2.320432 5.286625 
1 1 1   35    5   20 o   31.375   1.3219  135.838   11.140  122.522   15.414  150.397   16.118   29.267   1.9724   32.554   1.8510 -3.286617 2.704885 
1 1 1   35    5   21 f   10.204   3.2563   16.802   10.068   33.095   12.922  -8.3669   16.062   14.133   3.4373   7.1507   3.3468 6.982384 4.797505 
1 1 1   35    5   22 f   8.8780   3.1504   12.007   9.4212   22.067   13.872   3.3952   12.835   11.280   3.8329   7.7319   3.3498 3.548117 5.090429 
1 1 1   35    5   23 o   10.359   2.8849   17.254   8.3241   18.256   12.124   16.362   11.449   10.396   3.5821   9.9580   3.4780 0.4378071 4.992769 
1 1 1   35    5   24 o   18.261   1.8641   48.286   9.0148   53.113   12.807   43.546   12.692   18.517   2.6506   16.463   2.9800 2.054001 3.988240 
1 1 1   35    5   25 o   15.821   2.0377   37.023   8.4579   44.642   12.178   29.923   11.756   16.757   2.8049   13.227   3.3154 3.529875 4.342707 
1 1 1   35    5   26 o   5.4168   2.4879  -3.3495   8.2642   0.2435   12.207  -6.3897   11.229   6.9649   3.1292   5.9482   2.7886 1.016698 4.191419 
1 1 1   35    5   27 o   8.3237   2.9898   11.063   8.5098  -7.1589   13.323   23.621   11.060   6.3578   2.9983   11.503   3.3656 -5.145646 4.507493 
1 1 1   35    6  -19 o   38.748   2.2835  221.196   23.660  221.196   23.660   0.0000   0.0000   38.748   2.2835  ?   ?  0.000000 2.283506 
1 1 1   35    6  -18 o   14.212   4.3168   37.488   17.930   37.488   17.930   0.0000   0.0000   14.212   4.3168  ?   ?  0.000000 4.316778 
1 1 1   35    6  -17 o   24.446   3.0044   92.807   19.311   92.807   19.311   0.0000   0.0000   24.446   3.0044  ?   ?  0.000000 3.004379 
1 1 1   35    6  -16 o   19.687   2.7411   58.821   14.101   64.416   17.433   48.230   23.983   20.079   3.3505   15.582   5.0314 4.497229 6.044906 
1 1 1   35    6  -15 o   10.330   3.5012   16.926   11.575   38.113   16.855  -1.9827   15.923   14.793   4.1000   7.8386   3.5429 6.954690 5.418695 
1 1 1   35    6  -14 o   21.565   1.8723   65.981   10.737   57.843   17.791   70.643   13.466   18.871   3.6421   22.021   2.3111 -3.150043 4.313485 
1 1 1   35    6  -13 o   27.800   1.5788  107.627   11.740  108.540   19.764  107.130   14.594   26.957   2.7691   27.449   1.9930 -0.4924717 3.411747 
1 1 1   35    6  -12 o   10.060   3.2543   15.596   10.030   10.817   16.909   18.191   12.459   9.7709   4.0146   10.757   3.6326 -0.9858284 5.414131 
1 1 1   35    6  -11 o   22.225   1.8202   69.509   10.770   90.733   17.183   55.775   13.822   24.840   2.6147   19.349   2.7360 5.491005 3.784491 
1 1 1   35    6  -10 o   36.273   1.3609  180.713   13.259  190.510   22.039  175.157   16.598   36.481   2.2604   35.460   1.7427 1.021145 2.854184 
1 1 1   35    6   -9 o   18.261   2.0785   47.593   10.013   57.016   15.463   40.789   13.139   19.383   3.0728   16.316   3.1118 3.066689 4.373238 
1 1 1   35    6   -8 o   22.884   1.4948   72.439   9.1371   66.682   12.280   79.579   13.676   21.623   2.1427   23.613   2.1810 -1.989918 3.057430 
1 1 1   35    6   -7 o   17.397   1.5706   42.100   7.2598   39.859   10.843   43.921   9.7740   16.488   2.5292   17.533   2.1184 -1.045586 3.299159 
1 1 1   35    6   -6 o   9.9967   2.5483   14.924   6.8627   11.908   10.196   17.421   9.2792   9.2128   3.2765   10.671   3.0716 -1.458456 4.491105 
1 1 1   35    6   -5 o   6.7963   2.5832   5.1661   6.5137   5.2222   9.0708   5.1065   9.3594   7.4630   2.9860   7.5100   3.0231 -0.4699945E-01 4.249207 
1 1 1   35    6   -4 o   14.698   1.8383   30.497   7.0987   32.804   10.052   28.202   10.026   14.912   2.6044   13.702   2.8184 1.209906 3.837464 
1 1 1   35    6   -3 o   8.2718   2.7182   9.7517   6.9855   25.535   9.9574  -5.5439   9.8024   12.978   2.9264   5.8896   2.7067 7.088707 3.986222 
1 1 1   35    6   -2 o   12.993   2.3145   24.577   7.7810   24.950   10.375   24.099   11.763   12.769   3.0642   12.410   3.4196 0.3590612 4.591608 
1 1 1   35    6   -1 o   15.570   1.9246   34.298   7.8768   37.463   10.649   30.474   11.704   15.986   2.5671   14.089   3.1696 1.896557 4.078818 
1 1 1   35    6    0 o   15.241   1.9497   32.925   7.7982   35.281   10.760   30.318   11.318   15.442   2.6920   14.101   3.0750 1.341217 4.086918 
1 1 1   35    6    1 o   8.8986   2.8421   11.556   7.6683   0.4295   10.485   24.349   11.244   6.9706   3.0238   12.520   3.2977 -5.549648 4.474198 
1 1 1   35    6    2 o   7.6401   2.8665   7.0140   7.9607   30.317   12.071 -10.9235   10.590   13.998   3.2695   5.5574   2.6364 8.441036 4.200066 
1 1 1   35    6    3 o   13.012   2.3738   24.746   7.9902   17.369   10.855   33.469   11.804   10.664   3.3788   14.833   3.0644 -4.168840 4.561417 
1 1 1   35    6    4 o   26.135   1.2258   93.242   8.6049   96.869   12.096   89.526   12.244   26.384   1.7162   25.309   1.8132 1.074984 2.496641 
1 1 1   35    6    5 o   29.612   1.2123  119.682   9.6424  130.480   14.631  111.392   12.820   30.585   1.7888   28.307   1.6940 2.277946 2.463648 
1 1 1   35    6    6 o   23.423   1.3859   75.515   8.6801   64.809   11.830   88.000   12.775   21.363   2.0885   25.023   1.9153 -3.659689 2.833746 
1 1 1   35    6    7 o   28.551   1.1633  111.169   8.9209  125.570   12.650   96.923   12.582   30.120   1.5691   26.332   1.7896 3.787077 2.380108 
1 1 1   35    6    8 o   24.152   1.3560   80.250   8.7608   87.996   12.420   72.580   12.360   25.037   1.8602   22.617   2.0571 2.419989 2.773478 
1 1 1   35    6    9 o   26.787   1.2306   98.104   8.8541  108.458   12.489   87.641   12.555   27.910   1.6737   24.959   1.8867 2.951387 2.522093 
1 1 1   35    6   10 o   9.4388   2.8694   13.429   7.9197   5.7736   10.801   22.330   11.647   7.9332   3.2282   11.859   3.4493 -3.925541 4.724289 
1 1 1   35    6   11 o   11.307   3.0069   19.805   9.2903   23.439   12.670   15.578   13.664   12.054   3.6214   10.278   3.7742 1.776361 5.230621 
1 1 1   35    6   12 o   9.1219   2.9090   12.491   8.0359   14.266   10.978   10.442   11.794   9.7618   3.4060   8.9951   3.4622 0.7667055 4.856767 
1 1 1   35    6   13 o   35.095   1.0895  168.081   10.270  170.359   14.405  165.727   14.645   35.061   1.5297   34.547   1.5783 0.5144424 2.197967 
1 1 1   35    6   14 o   8.3586   2.9853   9.8405   8.4725   10.542   11.936   9.1282   12.029   8.9766   3.4751   8.7130   3.4539 0.2636261 4.899600 
1 1 1   35    6   15 o   19.813   1.6542   55.193   8.7225   50.000   11.632   61.866   13.185   18.402   2.4114   20.466   2.4471 -2.064226 3.435528 
1 1 1   35    6   16 o   12.754   2.5174   24.621   8.3176   28.922   11.336   19.604   12.242   13.429   3.1901   10.927   3.5989 2.501474 4.809188 
1 1 1   35    6   17 o   7.9958   2.9093   8.9364   8.0918   11.968   11.163   5.5785   11.747   9.0769   3.3966   7.9203   3.3083 1.156559 4.741491 
1 1 1   35    6   18 o   9.7801   2.9533   15.177   8.4100   0.1589   11.256   34.156   12.653   6.9274   3.0649   14.416   3.3342 -7.488846 4.528878 
1 1 1   35    6   19 o   7.9527   2.9855   8.7161   8.6378   2.7702   11.503   16.402   13.079   7.3417   3.1760   10.042   3.6918 -2.700169 4.869982 
1 1 1   35    6   20 f   6.3716   2.7501   1.5216   8.5861  -1.0184   11.218   5.1143   13.342   6.6912   3.0034   8.0141   3.4434 -1.322931 4.569202 
1 1 1   35    6   21 o   8.0527   2.9735   9.4635   8.4989   18.782   12.468   1.3764   11.615   10.423   3.6302   7.0830   3.1246 3.339503 4.789709 
1 1 1   35    6   22 o   4.5536   2.2165 -12.6813   8.6841   0.9529   13.590 -22.0906   11.290   7.3975   3.3141   4.7284   2.3449 2.669113 4.059773 
1 1 1   35    6   23 o   5.2368   2.4459  -5.3592   8.5049 -12.3486   11.944   1.8294   12.113   5.5933   2.6925   7.1639   3.1740 -1.570637 4.162211 
1 1 1   35    6   24 o   15.392   2.0999   35.604   8.4548   40.772   12.254   30.909   11.681   15.660   3.0228   13.328   3.2842 2.331459 4.463547 
1 1 1   35    6   25 o   7.0426   2.8335   6.1287   8.2175   4.7121   11.861   7.4363   11.396   7.4194   3.2173   7.7875   3.2562 -0.3680906 4.577515 
1 1 1   35    7  -18 o   13.987   5.2651   47.180   26.899   47.180   26.899   0.0000   0.0000   13.987   5.2651  ?   ?  0.000000 5.265069 
1 1 1   35    7  -17 o   21.566   3.3447   77.005   18.747   77.005   18.747   0.0000   0.0000   21.566   3.3447  ?   ?  0.000000 3.344669 
1 1 1   35    7  -16 o   13.770   4.2223   35.824   17.100   35.824   17.100   0.0000   0.0000   13.770   4.2223  ?   ?  0.000000 4.222317 
1 1 1   35    7  -15 o   13.018   4.1455   31.317   16.324   31.317   16.324   0.0000   0.0000   13.018   4.1455  ?   ?  0.000000 4.145529 
1 1 1   35    7  -14 o   10.840   3.7380   19.915   13.204   20.454   16.227   18.860   22.717   10.938   4.0948   10.933   4.5863 0.4422188E-02 6.148259 
1 1 1   35    7  -13 o   10.498   3.6346   18.159   12.489   12.773   16.298   25.820   19.439   9.7053   3.9592   11.930   4.4787 -2.224247 5.977787 
1 1 1   35    7  -12 o   6.0238   2.8467  -9.8145   12.122   4.4051   15.736 -30.5671   19.010   8.4835   3.6923   6.3426   3.1263 2.140962 4.837996 
1 1 1   35    7  -11 o   11.709   3.4318   22.572   11.490   14.124   16.482   30.559   16.026   10.024   4.0201   13.158   4.0964 -3.133499 5.739469 
1 1 1   35    7  -10 o   11.372   3.1594   20.701   9.9957   19.462   16.452   21.426   12.585   10.971   4.1199   11.378   3.6416 -0.4069443 5.498652 
1 1 1   35    7   -9 o   20.480   2.0149   60.171   10.940   59.071   18.065   60.808   13.748   18.988   3.6749   20.181   2.5965 -1.193130 4.499653 
1 1 1   35    7   -8 o   8.7330   3.2415   10.550   10.126   26.879   16.778   1.1930   12.700   12.469   4.2154   7.5314   3.2964 4.937928 5.351226 
1 1 1   35    7   -7 o   17.541   2.4415   45.403   11.191   63.410   22.972   39.800   12.814   18.838   4.5837   15.985   3.0963 2.852981 5.531535 
1 1 1   35    7   -6 o   13.737   2.9822   29.265   10.688   37.650   21.046   26.351   12.407   14.335   4.7185   12.725   3.5141 1.610025 5.883324 
1 1 1   35    7   -5 o   10.631   3.0066   17.595   8.9689   4.5423   12.445   31.702   12.938   8.0166   3.3802   14.027   3.4564 -6.010056 4.834516 
1 1 1   35    7   -4 o   7.6895   2.7710   7.9191   7.3157   10.345   11.307   6.1720   9.5948   8.8942   3.3979   7.7080   3.0755 1.186179 4.583090 
1 1 1   35    7   -3 o   9.2965   2.7769   13.091   7.4653   20.199   11.487   7.8937   9.8223   11.252   3.4625   8.1323   3.1513 3.119276 4.681803 
1 1 1   35    7   -2 o   24.022   1.3069   79.447   8.4002   72.529   11.463   87.471   12.345   22.640   1.9028   24.903   1.8591 -2.263475 2.660219 
1 1 1   35    7   -1 o   12.487   2.5105   23.301   8.1280   30.154   11.518   16.504   11.471   13.885   3.1597   10.333   3.4856 3.551583 4.704558 
1 1 1   35    7    0 o   14.098   2.1265   28.769   7.8018   18.792   10.300   42.195   11.949   10.933   3.2610   16.763   2.7492 -5.830056 4.265233 
1 1 1   35    7    1 o   6.3986   2.7301   1.3614   8.2819  -4.3431   12.076   6.4274   11.380   6.6952   3.0493   8.1435   3.3136 -1.448335 4.503190 
1 1 1   35    7    2 o   13.196   2.7400   26.416   9.3942   35.270   12.740   15.867   13.907   14.978   3.2595   10.320   3.8050 4.657800 5.010194 
1 1 1   35    7    3 o   33.154   1.0937  149.952   9.7397  148.555   13.178  151.634   14.459   32.778   1.4968   33.027   1.6300 -0.2497978 2.212992 
1 1 1   35    7    4 o   14.584   2.0760   30.693   7.9023   24.127   10.802   38.252   11.590   12.346   3.2230   15.886   2.8197 -3.540000 4.282361 
1 1 1   35    7    5 o   11.178   2.7503   19.149   8.2011   17.357   11.500   21.003   11.699   10.512   3.4893   11.427   3.4905 -0.9146013 4.935457 
1 1 1   35    7    6 o   14.932   2.1122   32.280   8.2345   31.057   11.178   33.730   12.177   14.130   3.0359   14.643   3.1865 -0.5135450 4.401184 
1 1 1   35    7    7 o   24.416   1.3397   82.311   8.7520   87.996   12.127   76.130   12.644   24.964   1.8211   23.052   2.0639 1.911701 2.752489 
1 1 1   35    7    8 o   6.7844   2.7436   4.1298   7.7472   1.7282   10.585   6.9003   11.369   7.0867   3.0562   8.1683   3.3165 -1.081588 4.509933 
1 1 1   35    7    9 o   6.4089   2.6810   2.4806   7.7302   16.311   10.581 -13.3525   11.321   10.168   3.3456   5.4896   2.6372 4.678748 4.260035 
1 1 1   35    7   10 o   19.775   1.7088   55.199   8.9869   57.046   12.835   53.422   12.587   19.590   2.4960   18.918   2.5415 0.6718616 3.562162 
1 1 1   35    7   11 o   15.998   1.9309   36.805   8.1291   41.641   11.085   31.178   11.957   16.638   2.5628   13.899   3.2595 2.738601 4.146314 
1 1 1   35    7   12 o   10.750   2.7525   18.043   7.9820   18.556   10.961   17.464   11.647   10.662   3.3970   10.375   3.5122 0.2869167 4.886227 
1 1 1   35    7   13 o   7.5952   2.8853   7.4434   8.1234   10.641   11.249   3.9594   11.743   8.7740   3.3801   7.6293   3.2530 1.144706 4.691162 
1 1 1   35    7   14 o   14.333   2.2816   30.628   8.4891   32.350   11.769   28.760   12.257   14.116   3.1804   13.093   3.4405 1.022989 4.685289 
1 1 1   35    7   15 o   30.823   1.1566  130.712   9.5753  145.576   13.361  115.016   13.730   32.230   1.5434   28.379   1.8106 3.850313 2.379218 
1 1 1   35    7   16 o   10.315   2.8725   17.116   8.2527   11.903   11.253   23.184   12.140   8.9315   3.3952   11.575   3.5590 -2.643476 4.918697 
1 1 1   35    7   17 o   5.6488   2.5279  -1.3073   7.8840   12.453   10.695 -17.6818   11.667   8.9671   3.3308   5.1554   2.5223 3.811693 4.178017 
1 1 1   35    7   18 o   13.993   2.3162   29.749   8.4009   32.806   11.652   26.439   12.124   14.036   3.1661   12.276   3.5040 1.759766 4.722497 
1 1 1   35    7   19 o   9.1817   3.1790   13.877   9.5549   17.125   12.384   9.1012   15.019   9.9392   3.6018   8.6766   3.6886 1.262620 5.155468 
1 1 1   35    7   20 o   11.195   2.8523   20.664   8.6011   17.687   12.335   23.481   11.999   9.9916   3.5985   11.393   3.5443 -1.401222 5.050805 
1 1 1   35    7   21 o   6.6712   2.8352   3.5130   8.8681 -25.9613   13.317   26.999   11.887   5.0278   2.5022   12.229   3.4624 -7.201039 4.271951 
1 1 1   35    7   22 o   5.1248   2.4550  -9.3740   9.6591  -5.3295   15.900 -11.7396   12.160   7.0073   3.2957   5.6330   2.7129 1.374343 4.268691 
1 1 1   35    7   23 o   10.330   3.1086   18.835   9.3299   29.247   15.358   12.745   11.746   11.849   4.0329   8.7246   3.4275 3.124720 5.292614 
1 1 1   35    8  -16 o   11.871   4.8414   32.470   24.364   32.470   24.364   0.0000   0.0000   11.871   4.8414  ?   ?  0.000000 4.841449 
1 1 1   35    8  -15 o   9.6075   3.8579   15.222   15.201   15.222   15.201   0.0000   0.0000   9.6075   3.8579  ?   ?  0.000000 3.857947 
1 1 1   35    8  -14 o   10.177   3.9963   18.100   15.961   18.100   15.961   0.0000   0.0000   10.177   3.9963  ?   ?  0.000000 3.996253 
1 1 1   35    8  -13 o   7.9538   3.5584   2.3197   15.609   2.3197   15.609   0.0000   0.0000   7.9538   3.5584  ?   ?  0.000000 3.558361 
1 1 1   35    8  -12 o   19.960   2.4800   60.661   13.009   46.042   17.019   81.202   20.174   15.883   3.9937   21.883   3.5543 -6.000889 5.346281 
1 1 1   35    8  -11 o   12.399   3.5522   26.720   12.437   35.800   16.078   13.194   19.624   13.906   4.0550   9.8441   4.2014 4.061775 5.839090 
1 1 1   35    8  -10 o   15.946   3.1198   41.181   12.884   27.960   16.283   63.313   21.069   12.258   4.1527   18.475   4.3226 -6.216534 5.994193 
1 1 1   35    8   -9 o   7.0835   3.1736  -0.5458   12.464   7.7931   15.453 -16.0707   21.085   8.7662   3.7345   7.5016   3.6025 1.264602 5.188897 
1 1 1   35    8   -8 o   15.006   3.3426   37.204   13.127   27.461   16.845   52.274   20.949   12.210   4.2213   16.493   4.5709 -4.282395 6.221942 
1 1 1   35    8   -7 o   12.082   3.4992   24.707   12.009   17.921   17.114   31.290   16.857   10.523   4.1361   13.024   4.2194 -2.501543 5.908580 
1 1 1   35    8   -6 o   8.2663   3.3208   8.1807   11.268 -12.3972   15.531   31.052   16.374   6.6638   3.1704   13.065   4.1509 -6.401198 5.223161 
1 1 1   35    8   -5 o   11.951   3.4461   23.882   11.671   31.540   23.023   21.233   13.539   12.723   4.8516   11.167   3.7867 1.555865 6.154415 
1 1 1   35    8   -4 o   18.413   2.8231   52.285   13.517   80.420   22.955   37.352   16.724   21.468   4.1309   14.432   4.1140 7.035588 5.830056 
1 1 1   35    8   -3 o   8.6993   3.2469   10.787   10.188   2.6552   15.954   16.385   13.238   8.2861   3.6583   10.147   3.7166 -1.860932 5.215047 
1 1 1   35    8   -2 f   31.931   1.2162  140.253   10.431  140.855   17.351  139.913   13.052   31.239   2.0798   31.670   1.5344 -0.4309196 2.584544 
1 1 1   35    8   -1 o   19.500   1.8206   54.221   9.4251   49.156   15.001   57.524   12.115   17.458   3.3206   19.738   2.3301 -2.280682 4.056558 
1 1 1   35    8    0 o   15.938   2.0039   36.796   8.3887   45.097   12.174   29.292   11.576   17.172   2.7308   13.434   3.2446 3.738216 4.240851 
1 1 1   35    8    1 o   6.8963   2.8964   3.2344   9.0786   3.5672   11.619   2.7129   14.547   7.5601   3.2299   8.0413   3.5235 -0.4812045 4.779927 
1 1 1   35    8    2 f   14.293   2.4224   30.662   8.9678   37.058   12.453   23.774   12.924   15.230   3.1483   11.835   3.6778 3.395688 4.841277 
1 1 1   35    8    3 o   34.257   1.1951  161.328   10.996  173.900   15.699  149.220   15.407   35.190   1.6610   32.457   1.7740 2.732231 2.430215 
1 1 1   35    8    4 o   14.696   2.4401   32.472   9.2935   53.604   13.468   13.267   12.840   18.694   2.7659   9.4768   3.6209 9.216902 4.556440 
1 1 1   35    8    5 o   5.9293   2.6413  -1.2178   8.5027   6.3184   11.537 -10.1762   12.579   7.9812   3.3016   6.1012   2.8883 1.880035 4.386613 
1 1 1   35    8    6 o   21.651   1.6329   66.161   9.4259   56.412   13.169   76.402   13.497   19.282   2.6099   22.812   2.2315 -3.529581 3.433800 
1 1 1   35    8    7 o   19.496   1.7356   54.097   8.9937   57.826   13.018   50.692   12.440   19.567   2.5366   18.248   2.6126 1.319580 3.641491 
1 1 1   35    8    8 o   4.4225   2.1522 -12.4621   8.1719  -8.4572   11.686 -16.2942   11.431   5.9866   2.8187   5.2226   2.5424 0.7640224 3.795859 
1 1 1   35    8    9 o   6.4792   2.7996   1.5017   8.9173   4.0968   14.454  -0.0931   11.331   8.1017   3.5321   6.8689   3.0553 1.232743 4.670135 
1 1 1   35    8   10 o   6.0344   2.6596  -0.1120   8.3964   6.2528   12.158  -5.9161   11.610   7.9941   3.3543   6.2067   2.8851 1.787446 4.424397 
1 1 1   35    8   11 o   10.905   2.8917   19.222   8.6077   20.459   12.898   18.227   11.558   10.834   3.6958   10.367   3.4988 0.4679184 5.089244 
1 1 1   35    8   12 o   17.623   1.9455   45.284   9.0552   52.873   13.837   39.599   11.976   18.220   2.9266   15.710   2.9463 2.509963 4.152761 
1 1 1   35    8   13 o   6.3664   2.7627   1.4602   8.7587   10.182   12.691  -6.4725   12.103   8.6507   3.5069   6.2280   2.9119 2.422765 4.558245 
1 1 1   35    8   14 o   16.760   2.0266   41.482   8.9374   50.230   13.671   34.953   11.811   17.590   3.0013   14.505   3.1238 3.085207 4.332002 
1 1 1   35    8   15 o   17.741   1.9381   46.218   9.0848   56.845   13.731   37.943   12.116   18.893   2.7897   15.116   3.0884 3.776654 4.161871 
1 1 1   35    8   16 o   6.8471   2.8494   4.5033   8.6678  -6.3467   13.068   13.027   11.583   6.4070   3.0051   8.9718   3.4364 -2.564751 4.565043 
1 1 1   35    8   17 o   6.1237   2.7414  -0.3834   9.2804 -12.7031   15.833   6.0646   11.454   6.4582   3.1067   7.6119   3.2280 -1.153641 4.480145 
1 1 1   35    8   18 o   7.0008   2.9535   4.7379   9.5086   8.1176   13.459   1.3697   13.436   8.1598   3.4809   7.2478   3.2671 0.9120536 4.773938 
1 1 1   35    8   19 o   9.8442   3.1470   17.081   9.4003   29.464   13.690   6.0321   12.931   12.271   3.7805   7.7284   3.3553 4.542080 5.054679 
1 1 1   35    8   20 o   6.5393   2.8409   2.8088   9.2821   0.9393   13.650   4.4168   12.659   7.1336   3.2463   7.4050   3.2645 -0.2713404 4.603900 
1 1 1   35    8   21 o   10.535   3.2076   20.301   9.8906   21.128   13.625   19.379   14.381   10.221   3.7665   9.8315   3.8121 0.3892612 5.358980 
1 1 1   35    9  -15 o   11.151   4.8647   32.600   27.455   32.600   27.455   0.0000   0.0000   11.151   4.8647  ?   ?  0.000000 4.864654 
1 1 1   35    9  -14 o   18.692   5.5292   91.060   29.705   91.060   29.705   0.0000   0.0000   18.692   5.5292  ?   ?  0.000000 5.529181 
1 1 1   35    9  -13 o   14.688   4.2460   44.476   17.697   44.476   17.697   0.0000   0.0000   14.688   4.2460  ?   ?  0.000000 4.246037 
1 1 1   35    9  -12 o   9.3499   3.9188   14.224   16.564   14.224   16.564   0.0000   0.0000   9.3499   3.9188  ?   ?  0.000000 3.918762 
1 1 1   35    9  -11 o   16.633   3.9453   52.147   17.359   52.147   17.359   0.0000   0.0000   16.633   3.9453  ?   ?  0.000000 3.945284 
1 1 1   35    9  -10 o   11.971   3.4841   25.743   11.880   24.851   15.890   26.873   17.888   11.246   4.0792   11.461   4.2976 -0.2145014 5.925253 
1 1 1   35    9   -9 o   7.3897   3.2212   3.6051   12.018 -13.3857   15.282   31.147   19.457   6.3403   3.0505   12.120   4.4943 -5.779846 5.431776 
1 1 1   35    9   -8 o   8.2142   3.7020   3.1381   17.242  -4.7540   21.387   17.790   29.141   8.1059   3.8155   10.524   4.7714 -2.418123 6.109351 
1 1 1   35    9   -7 o   15.104   3.4407   39.442   13.646   28.207   18.312   53.473   20.464   11.824   4.3650   16.243   4.5234 -4.418497 6.286054 
1 1 1   35    9   -6 o   9.7992   3.6165   16.327   12.569   25.173   16.682   4.7114   19.116   11.431   4.1744   8.6799   3.9063 2.750889 5.717036 
1 1 1   35    9   -5 o   8.6040   3.6842   8.0919   15.178   5.8130   23.500   9.7230   19.881   9.2899   4.2399   9.3188   4.1004 -0.2885532E-01 5.898332 
1 1 1   35    9   -4 o   13.217   3.6049   30.930   13.151   31.250   16.457   30.367   21.876   12.713   4.1719   12.058   4.6944 0.6542025 6.280336 
1 1 1   35    9   -3 o   13.948   3.9020   35.737   15.192   8.0300   21.693   62.403   21.282   9.3566   4.1898   17.944   4.4398 -8.587568 6.104629 
1 1 1   35    9   -2 o   7.2399   3.2070   1.4263   12.360   1.1106   15.514   1.9749   20.450   7.8123   3.5171   8.6514   3.9511 -0.8391771 5.289765 
1 1 1   35    9   -1 o   10.202   4.0221   17.669   16.229   27.300   24.495   10.133   21.666   11.625   4.8099   9.5851   4.2459 2.039639 6.415795 
1 1 1   35    9    0 o   14.941   3.6481   39.192   14.513   58.456   18.876   11.339   22.696   17.932   4.0186   9.7964   4.3423 8.135863 5.916465 
1 1 1   35    9    1 o   8.6638   3.1603   11.576   9.5571  -2.0762   12.172   33.523   15.433   6.7498   3.0693   13.417   3.9892 -6.667520 5.033282 
1 1 1   35    9    2 o   23.893   1.5407   80.687   9.8346   80.516   13.548   80.877   14.299   23.291   2.1915   23.208   2.3252 0.8294487E-01 3.195155 
1 1 1   35    9    3 o   18.001   2.2281   48.465   10.543   53.251   14.295   42.757   15.611   18.137   3.0422   15.457   3.7894 2.679170 4.859481 
1 1 1   35    9    4 o   14.615   2.6401   33.447   9.9824   39.995   12.555   22.192   16.460   15.606   3.1044   10.949   4.1191 4.656614 5.157989 
1 1 1   35    9    5 o   8.6367   3.0852   11.696   9.0500   14.819   12.307   8.0186   13.355   9.4968   3.5639   8.3541   3.5110 1.142670 5.002815 
1 1 1   35    9    6 o   31.890   1.3303  141.768   11.395  157.969   15.467  122.536   16.851   33.197   1.7407   28.689   2.2037 4.508081 2.808270 
1 1 1   35    9    7 o   17.547   2.1734   46.068   10.024   45.769   13.343   46.455   15.187   16.671   3.0937   16.298   3.5682 0.3731499 4.722652 
1 1 1   35    9    8 o   8.1354   3.2082   9.2719   10.328   21.229   14.834  -1.9775   14.388   10.700   3.9320   7.1808   3.2924 3.519512 5.128434 
1 1 1   35    9    9 o   15.379   2.5183   36.878   10.042   52.245   13.170   15.533   15.522   18.068   2.8049   9.6447   3.8894 8.422914 4.795273 
1 1 1   35    9   10 o   5.4070   2.5147  -4.7784   8.8375   5.0849   12.219 -15.5987   12.798   7.6227   3.2854   5.5552   2.7010 2.067451 4.253173 
1 1 1   35    9   11 o   11.436   3.1078   22.429   9.7954  -1.4218   14.477   42.570   13.303   7.1848   3.2973   15.772   3.2484 -8.587635 4.628656 
1 1 1   35    9   12 o   11.248   3.0768   21.747   9.5640   14.553   12.948   30.385   14.188   9.2491   3.6086   12.541   3.8462 -3.292356 5.273971 
1 1 1   35    9   13 o   10.697   3.0874   19.862   9.3636   20.457   13.410   19.296   13.080   10.372   3.7496   10.148   3.6979 0.2236023 5.266295 
1 1 1   35    9   14 o   4.4309   2.1731 -14.0012   8.8224 -15.6556   12.350 -12.2775   12.607   5.3670   2.6192   5.6869   2.7448 -0.3198943 3.793957 
1 1 1   35    9   15 o   11.974   2.9405   24.532   9.3878   23.646   13.474   25.368   13.087   10.916   3.7754   11.366   3.7198 -0.4501743 5.300064 
1 1 1   35    9   16 o   8.7647   3.2011   13.376   9.8097   28.000   15.798   4.1978   12.515   11.400   4.0758   7.3313   3.2383 4.068235 5.205637 
1 1 1   35    9   17 o   12.966   3.0736   29.647   10.541   13.203   13.811   52.594   16.315   8.7495   3.6152   16.461   3.7712 -7.711023 5.224122 
1 1 1   35   10  -12 o   7.3430   3.4205  -0.2330   16.455  -0.2330   16.455   0.0000   0.0000   7.3430   3.4205  ?   ?  0.000000 3.420452 
1 1 1   35   10  -11 o   24.564   3.0410  103.559   19.635  103.559   19.635   0.0000   0.0000   24.564   3.0410  ?   ?  0.000000 3.041045 
1 1 1   35   10  -10 o   15.793   4.0758   51.056   17.406   51.056   17.406   0.0000   0.0000   15.793   4.0758  ?   ?  0.000000 4.075807 
1 1 1   35   10   -9 o   8.7739   4.0715   7.1830   22.967   7.1830   22.967   0.0000   0.0000   8.7739   4.0715  ?   ?  0.000000 4.071485 
1 1 1   35   10   -8 o   5.7449   2.7831 -13.2889   13.263  -2.8063   16.727 -31.0400   21.767   7.2869   3.4121   6.4361   3.2024 0.8507805 4.679550 
1 1 1   35   10   -7 o   16.728   3.0777   47.720   13.319   52.131   17.319   41.336   20.835   16.277   3.9919   13.095   4.6809 3.182444 6.151910 
1 1 1   35   10   -6 o   12.605   3.5615   29.747   12.591   30.696   16.397   28.383   19.655   12.020   4.1643   11.224   4.4259 0.7964973 6.076986 
1 1 1   35   10   -5 o   20.119   2.6402   64.772   13.922   80.091   18.254   43.468   21.526   21.555   3.2544   13.432   4.7625 8.122672 5.768279 
1 1 1   35   10   -4 f   13.352   3.6536   33.479   13.483   26.714   17.597   43.097   20.983   11.198   4.2483   13.527   4.7094 -2.329140 6.342441 
1 1 1   35   10   -3 o   6.8039   3.1052  -0.9286   12.603 -12.7293   16.152   17.439   20.151   6.4760   3.1209   9.8276   4.2275 -3.351613 5.254680 
1 1 1   35   10   -2 o   23.512   2.7238   88.798   16.882  109.900   25.734   72.855   22.368   23.812   4.1760   18.737   4.5010 5.074799 6.139856 
1 1 1   35   10   -1 o   16.139   3.8979   49.618   16.706   61.170   25.291   40.675   22.252   15.594   5.1745   12.957   4.8060 2.636704 7.062044 
1 1 1   35   10    0 o   6.5195   3.0385  -4.4382   13.013 -13.1364   16.811   8.5687   20.557   6.5886   3.1774   8.9240   4.0302 -2.335400 5.132079 
1 1 1   35   10    1 o   11.435   3.8360   25.551   13.893   22.658   18.072   29.731   21.722   10.559   4.2182   11.402   4.6001 -0.8437119 6.241338 
1 1 1   35   10    2 o   7.2454   3.3752  -3.0047   16.027  -5.2990   24.553  -1.3016   21.155   8.2442   3.9399   8.1290   3.8162 0.1151953 5.485119 
1 1 1   35   10    3 o   7.3371   3.2826   2.3923   13.284  -4.0708   17.205   11.934   20.905   7.3418   3.4450   9.2584   4.1317 -1.916603 5.379530 
1 1 1   35   10    4 f   4.3449   2.1528 -18.1022   9.4427 -13.4517   11.978 -25.7388   15.349   5.4421   2.6384   5.5029   2.7298 -0.6078100E-01 3.796424 
1 1 1   35   10    5 o   28.050   1.5720  112.799   11.796  117.048   14.791  105.373   19.552   28.072   1.9742   25.235   2.9397 2.836584 3.541120 
1 1 1   35   10    6 o   12.179   3.1393   25.968   10.334   32.363   12.558   12.554   18.187   13.278   3.4793   9.0878   3.9620 4.190353 5.272899 
1 1 1   35   10    7 o   6.8543   2.9944   3.0904   10.436   30.200   14.472 -26.2850   15.065   12.238   3.9039   5.3848   2.6768 6.853234 4.733449 
1 1 1   35   10    8 o   11.707   3.3444   25.098   11.040   31.102   12.564   4.7610   23.124   12.883   3.5276   8.6452   4.0363 4.237935 5.360580 
1 1 1   35   10    9 o   10.514   3.2948   20.287   10.349   27.970   12.976   6.8603   17.153   11.953   3.6803   8.2523   3.7083 3.700839 5.224621 
1 1 1   35   10   10 o   6.2907   2.8810  -1.4210   10.973   7.8485   14.646 -13.2826   16.567   8.0781   3.5377   6.4104   3.1067 1.667687 4.708169 
1 1 1   35   10   11 o   5.0389   2.4403 -11.3378   10.177 -22.6879   12.794   8.2145   16.792   4.9801   2.4742   8.2833   3.6993 -3.303244 4.450459 
1 1 1   35   10   12 o   5.0170   2.4120  -9.2008   9.5112  -4.0465   13.136 -14.8814   13.790   6.4230   3.0127   5.6844   2.7727 0.7386489 4.094427 
1 1 1   35   10   13 o   18.292   2.1173   51.646   10.210   60.860   14.276   41.998   14.608   18.865   2.9112   14.545   3.7235 4.320694 4.726434 
1 1 1   35   11   -7 o   8.8838   3.5795   15.326   13.135   28.412   16.908  -4.5950   20.861   10.850   4.1528   7.4103   3.5650 3.439820 5.473107 
1 1 1   35   11   -6 f   12.251   3.6091   30.328   12.679   33.505   17.000   26.347   19.032   11.805   4.2274   10.334   4.2541 1.471050 5.997341 
1 1 1   35   11   -5 o   11.433   3.6468   26.814   12.629   40.516   16.918   9.5672   18.980   13.274   4.2194   8.4055   3.8262 4.868741 5.695935 
1 1 1   35   11   -4 o   8.7300   3.5056   14.051   12.551   16.161   16.938   11.481   18.692   9.0954   3.8931   8.6036   3.8682 0.4918156 5.488110 
1 1 1   35   11   -3 o   10.398   3.6360   22.109   12.514   29.138   16.926   13.634   18.586   11.124   4.1786   8.8488   3.9255 2.275183 5.733246 
1 1 1   35   11   -2 o   16.141   3.1850   46.701   13.318   47.831   18.747   45.549   18.923   14.253   4.4295   13.741   4.4719 0.5121412 6.294269 
1 1 1   35   11   -1 o   9.0081   3.5748   15.394   12.898   27.164   18.155   3.3978   18.328   10.668   4.2388   7.8378   3.6371 2.830627 5.585320 
1 1 1   35   11    0 o   9.3236   3.7762   17.354   14.700   4.7200   22.047   27.465   19.724   8.2754   3.8885   10.570   4.3386 -2.294327 5.826145 
1 1 1   35   11    1 o   7.5701   3.4092   4.8658   14.591   30.930   24.132 -10.1547   18.319   10.654   4.6045   6.8116   3.2928 3.842493 5.660713 
1 1 1   35   11    2 o   10.221   3.7067   21.619   13.120   30.044   18.764   13.561   18.352   11.033   4.3328   8.8464   3.9137 2.186801 5.838717 
1 1 1   35   11    3 o   6.7019   3.0941  -0.6501   13.016  -1.4160   17.544   0.2874   19.411   7.3220   3.4493   7.6787   3.6206 -0.3566518 5.000600 
1 1 1   35   11    4 o   7.6504   3.4628   5.1191   15.276 -29.4900   25.516   24.453   19.071   6.8328   3.4105   10.146   4.2247 -3.313132 5.429572 
1 1 1   35   11    5 o   13.250   4.1478   39.615   16.405   71.120   29.762   25.865   19.661   14.243   5.4949   10.262   4.2827 3.981189 6.966736 
1 1 1   35   11    6 f   10.259   3.8134   22.795   14.024   47.353   19.548  -3.2525   20.132   13.713   4.5491   7.4444   3.5604 6.268816 5.776729 
1 1 1   35   11    7 o   4.4297   2.2147 -22.8216   10.961 -15.7937   12.024 -57.3700   26.660   5.1386   2.5236   6.0829   3.0900 -0.9443073 3.989561 
1 1 1   36    0  -24 o   11.255   5.3661   27.905   18.562   27.905   18.562   27.905   18.562   11.255   5.3661   11.255   5.3661 0.000000 0.000000 
1 1 1   36    0  -23 o   21.361   3.4996   68.679   18.459   68.679   18.459   68.679   18.459   21.361   3.4996   21.361   3.4996 0.000000 0.000000 
1 1 1   36    0  -22 o   22.985   3.0477   76.939   17.892   76.939   17.892   76.939   17.892   22.985   3.0477   22.985   3.0477 0.000000 0.000000 
1 1 1   36    0  -21 f   29.334   1.8969  118.498   14.802  118.498   14.802  118.498   14.802   29.334   1.8969   29.334   1.8969 0.000000 0.000000 
1 1 1   36    0  -20 o   13.022   4.8128   32.065   15.605   32.065   15.605   32.065   15.605   13.022   4.8128   13.022   4.8128 0.000000 0.000000 
1 1 1   36    0  -19 o   19.460   2.7379   54.908   13.496   54.908   13.496   54.908   13.496   19.460   2.7379   19.460   2.7379 0.000000 0.000000 
1 1 1   36    0  -18 o   15.838   3.4516   39.082   12.864   39.082   12.864   39.082   12.864   15.838   3.4516   15.838   3.4516 0.000000 0.000000 
1 1 1   36    0  -17 o   5.7737   3.6576   2.3307   12.236   2.3307   12.236   2.3307   12.236   5.7737   3.6576   5.7737   3.6576 0.000000 0.000000 
1 1 1   36    0  -16 o   12.107   4.1832   26.465   12.257   26.465   12.257   26.465   12.257   12.107   4.1832   12.107   4.1832 0.000000 0.000000 
1 1 1   36    0  -15 o   20.141   2.6599   58.266   13.690   58.266   13.690   58.266   13.690   20.141   2.6599   20.141   2.6599 0.000000 0.000000 
1 1 1   36    0  -14 o   5.5932   3.6646  -1.1734   13.712  -1.1734   13.712  -1.1734   13.712   5.5932   3.6646   5.5932   3.6646 0.000000 0.000000 
1 1 1   36    0  -13 o   26.432   3.1171  100.025   21.321  100.025   21.321  100.025   21.321   26.432   3.1171   26.432   3.1171 0.000000 0.000000 
1 1 1   36    0  -12 o   4.2659   3.0292 -18.9741   14.752 -18.9741   14.752 -18.9741   14.752   4.2659   3.0292   4.2659   3.0292 0.000000 0.000000 
1 1 1   36    0  -11 o   35.119   1.6710  167.999   15.680  167.999   15.680  167.999   15.680   35.119   1.6710   35.119   1.6710 0.000000 0.000000 
1 1 1   36    0  -10 o   5.1332   2.8426   5.0014   5.7477   5.0014   5.7477   5.0014   5.7477   5.1332   2.8426   5.1332   2.8426 0.000000 0.000000 
1 1 1   36    0   -9 o   3.4366   2.4435 -13.0767   9.7118 -13.0767   9.7118 -13.0767   9.7118   3.4366   2.4435   3.4366   2.4435 0.000000 0.000000 
1 1 1   36    0   -8 o   3.9389   2.6450  -2.9519   7.9034  -2.9519   7.9034  -2.9519   7.9034   3.9389   2.6450   3.9389   2.6450 0.000000 0.000000 
1 1 1   36    0   -7 o   15.706   2.4506   35.913   9.5881   35.913   9.5881   35.913   9.5881   15.706   2.4506   15.706   2.4506 0.000000 0.000000 
1 1 1   36    0   -6 o   16.565   2.5219   39.860   10.449   39.860   10.449   39.860   10.449   16.565   2.5219   16.565   2.5219 0.000000 0.000000 
1 1 1   36    0   -5 o   13.565   3.0285   28.558   9.6384   28.558   9.6384   28.558   9.6384   13.565   3.0285   13.565   3.0285 0.000000 0.000000 
1 1 1   36    0   -4 o   7.8437   4.0132   12.642   10.700   12.642   10.700   12.642   10.700   7.8437   4.0132   7.8437   4.0132 0.000000 0.000000 
1 1 1   36    0   -3 o   54.980   1.1538  407.886   17.021  407.886   17.021  407.886   17.021   54.980   1.1538   54.980   1.1538 0.000000 0.000000 
1 1 1   36    0   -2 o   46.908   1.1857  297.143   14.918  297.143   14.918  297.143   14.918   46.908   1.1857   46.908   1.1857 0.000000 0.000000 
1 1 1   36    0   -1 o   14.860   2.6734   32.831   9.6435   32.831   9.6435   32.831   9.6435   14.860   2.6734   14.860   2.6734 0.000000 0.000000 
1 1 1   36    0    0 o   32.749   1.3499  145.436   11.828  145.436   11.828  145.436   11.828   32.749   1.3499   32.749   1.3499 0.000000 0.000000 
1 1 1   36    0    1 o   29.876   1.4423  121.344   11.512  121.344   11.512  121.344   11.512   29.876   1.4423   29.876   1.4423 0.000000 0.000000 
1 1 1   36    0    2 o   19.383   1.9915   52.530   10.117   52.530   10.117   52.530   10.117   19.383   1.9915   19.383   1.9915 0.000000 0.000000 
1 1 1   36    0    3 o   8.8387   3.9119   15.568   9.7835   15.568   9.7835   15.568   9.7835   8.8387   3.9119   8.8387   3.9119 0.000000 0.000000 
1 1 1   36    0    4 o   43.768   1.2312  258.890   14.447  258.890   14.447  258.890   14.447   43.768   1.2312   43.768   1.2312 0.000000 0.000000 
1 1 1   36    0    5 o   28.449   1.7604  110.803   13.334  110.803   13.334  110.803   13.334   28.449   1.7604   28.449   1.7604 0.000000 0.000000 
1 1 1   36    0    6 o   7.9928   3.9203   13.108   9.9988   13.108   9.9988   13.108   9.9988   7.9928   3.9203   7.9928   3.9203 0.000000 0.000000 
1 1 1   36    0    7 o   11.202   3.6671   21.965   9.7785   21.965   9.7785   21.965   9.7785   11.202   3.6671   11.202   3.6671 0.000000 0.000000 
1 1 1   36    0    8 o   9.5865   3.9615   17.826   10.125   17.826   10.125   17.826   10.125   9.5865   3.9615   9.5865   3.9615 0.000000 0.000000 
1 1 1   36    0    9 o   5.6091   3.4765   3.3791   10.432   3.3791   10.432   3.3791   10.432   5.6091   3.4765   5.6091   3.4765 0.000000 0.000000 
1 1 1   36    0   10 o   20.885   2.0176   60.820   11.075   60.820   11.075   60.820   11.075   20.885   2.0176   20.885   2.0176 0.000000 0.000000 
1 1 1   36    0   11 o   33.840   1.4479  155.503   13.105  155.503   13.105  155.503   13.105   33.840   1.4479   33.840   1.4479 0.000000 0.000000 
1 1 1   36    0   12 o   6.0610   3.5945   5.8817   10.157   5.8817   10.157   5.8817   10.157   6.0610   3.5945   6.0610   3.5945 0.000000 0.000000 
1 1 1   36    0   13 o   21.815   1.9649   66.110   11.298   66.110   11.298   66.110   11.298   21.815   1.9649   21.815   1.9649 0.000000 0.000000 
1 1 1   36    0   14 o   18.452   2.7881   49.622   12.885   49.622   12.885   49.622   12.885   18.452   2.7881   18.452   2.7881 0.000000 0.000000 
1 1 1   36    0   15 o   26.906   1.7383   99.260   12.442   99.260   12.442   99.260   12.442   26.906   1.7383   26.906   1.7383 0.000000 0.000000 
1 1 1   36    0   16 o   11.096   4.3827   23.634   12.563   23.634   12.563   23.634   12.563   11.096   4.3827   11.096   4.3827 0.000000 0.000000 
1 1 1   36    0   17 o   5.3988   3.4361   1.6270   10.946   1.6270   10.946   1.6270   10.946   5.3988   3.4361   5.3988   3.4361 0.000000 0.000000 
1 1 1   36    0   18 o   6.8095   3.9244   8.4952   11.545   8.4952   11.545   8.4952   11.545   6.8095   3.9244   6.8095   3.9244 0.000000 0.000000 
1 1 1   36    0   19 o   42.400   1.4953  244.102   16.981  244.102   16.981  244.102   16.981   42.400   1.4953   42.400   1.4953 0.000000 0.000000 
1 1 1   36    0   20 o   17.874   2.6161   46.469   11.772   46.469   11.772   46.469   11.772   17.874   2.6161   17.874   2.6161 0.000000 0.000000 
1 1 1   36    0   21 f   5.8618   3.6218   4.1475   11.232   4.1475   11.232   4.1475   11.232   5.8618   3.6218   5.8618   3.6218 0.000000 0.000000 
1 1 1   36    0   22 o   20.506   2.3387   59.768   12.448   59.768   12.448   59.768   12.448   20.506   2.3387   20.506   2.3387 0.000000 0.000000 
1 1 1   36    0   23 o   15.729   3.9111   40.390   14.299   40.390   14.299   40.390   14.299   15.729   3.9111   15.729   3.9111 0.000000 0.000000 
1 1 1   36    0   24 o   7.7642   4.1513   12.753   11.829   12.753   11.829   12.753   11.829   7.7642   4.1513   7.7642   4.1513 0.000000 0.000000 
1 1 1   36    0   25 o   8.8890   4.2082   16.763   11.395   16.763   11.395   16.763   11.395   8.8890   4.2082   8.8890   4.2082 0.000000 0.000000 
1 1 1   36    0   26 o   5.1556   3.4875  -5.0680   14.226  -5.0680   14.226  -5.0680   14.226   5.1556   3.4875   5.1556   3.4875 0.000000 0.000000 
1 1 1   36    0   27 o   4.0448   2.8281 -10.1123   11.373 -10.1123   11.373 -10.1123   11.373   4.0448   2.8281   4.0448   2.8281 0.000000 0.000000 
1 1 1   36    0   28 o   28.105   1.8877  109.936   14.102  109.936   14.102  109.936   14.102   28.105   1.8877   28.105   1.8877 0.000000 0.000000 
1 1 1   36    0   29 o   29.300   1.7900  119.187   13.967  119.187   13.967  119.187   13.967   29.300   1.7900   29.300   1.7900 0.000000 0.000000 
1 1 1   36    0   30 o   27.679   1.9802  107.565   14.548  107.565   14.548  107.565   14.548   27.679   1.9802   27.679   1.9802 0.000000 0.000000 
1 1 1   36    0   31 o   13.288   4.2634   32.922   13.423   32.922   13.423   32.922   13.423   13.288   4.2634   13.288   4.2634 0.000000 0.000000 
1 1 1   36    0   32 o   4.9868   3.4210  -6.3741   14.746  -6.3741   14.746  -6.3741   14.746   4.9868   3.4210   4.9868   3.4210 0.000000 0.000000 
1 1 1   36    1  -23 o   14.393   4.3372   35.815   18.152   21.540   25.038   51.630   26.355   12.011   4.9044   16.412   5.2716 -4.400503 7.200238 
1 1 1   36    1  -22 o   8.5247   3.4298   7.4864   12.040   23.943   16.620 -10.6874   17.466   12.147   4.1934   7.4889   3.5003 4.657797 5.462327 
1 1 1   36    1  -21 o   16.562   2.9380   41.223   12.591   43.284   17.703   39.114   17.911   16.237   4.0678   15.319   4.2189 0.9176254 5.860507 
1 1 1   36    1  -20 o   19.912   2.1050   56.244   11.087   88.153   18.196   37.398   13.983   24.502   2.8161   15.508   3.4464 8.993434 4.450632 
1 1 1   36    1  -19 o   8.2281   3.1505   7.8195   9.7333   19.539   12.760  -8.4920   15.053   11.300   3.6718   7.1780   3.3186 4.122274 4.949276 
1 1 1   36    1  -18 o   27.822   1.3737  105.822   10.265  108.864   14.410  102.688   14.626   27.919   1.9336   27.060   2.0271 0.8585339 2.801427 
1 1 1   36    1  -17 o   22.979   1.6128   72.937   9.8913   85.242   14.281   61.591   13.713   24.576   2.1863   20.696   2.5188 3.879938 3.335337 
1 1 1   36    1  -16 o   20.356   1.7426   57.533   9.4357   63.008   13.638   52.506   13.068   20.980   2.4673   19.054   2.6231 1.925680 3.601149 
1 1 1   36    1  -15 o   13.004   2.6014   24.763   8.7691   9.5118   12.550   39.315   12.258   9.1772   3.5604   16.331   2.9009 -7.153780 4.592583 
1 1 1   36    1  -14 o   25.912   1.4518   92.047   10.063   99.572   14.287   84.637   14.177   26.711   2.0060   24.534   2.1739 2.176847 2.958001 
1 1 1   36    1  -13 o   19.683   1.8083   53.851   9.4529   43.901   13.481   63.476   13.259   17.239   3.0216   21.136   2.3768 -3.896986 3.844347 
1 1 1   36    1  -12 o   11.675   3.0949   20.440   9.8624   9.3338   15.025   28.849   13.073   9.6136   3.8443   13.720   3.5279 -4.106273 5.217691 
1 1 1   36    1  -11 o   15.585   2.6965   35.349   10.879   31.589   15.402   39.094   15.370   14.224   3.9102   15.946   3.6653 -1.722323 5.359490 
1 1 1   36    1  -10 o   13.012   3.4895   25.835   12.446   33.726   15.690   12.438   20.443   14.700   3.9069   10.954   4.4474 3.745602 5.919708 
1 1 1   36    1   -9 o   12.281   2.4322   21.863   7.7390   29.443   10.170   11.437   11.928   14.170   2.7716   9.5065   3.5202 4.663182 4.480292 
1 1 1   36    1   -8 o   14.390   1.5739   28.672   5.9839   33.154   8.5645   24.396   8.3641   15.303   2.1424   12.970   2.4915 2.333186 3.285967 
1 1 1   36    1   -7 o   23.226   1.1361   73.189   7.0873   68.100   9.9816   78.363   10.065   22.210   1.6859   23.872   1.5787 -1.661964 2.309621 
1 1 1   36    1   -6 o   10.087   2.4874   14.871   6.6966   12.921   9.2011   17.067   9.7650   9.5288   3.1191   10.725   3.1695 -1.196335 4.446864 
1 1 1   36    1   -5 o   42.391   0.9017  242.883   10.266  239.317   13.763  247.356   15.414   41.966   1.2210   42.611   1.3468 -0.6450768 1.817893 
1 1 1   36    1   -4 o   7.5853   2.9366   5.9044   8.5230   31.114   12.422 -16.5233   11.716   14.367   3.2898   5.4944   2.6504 8.872565 4.224656 
1 1 1   36    1   -3 o   5.8617   2.4893   0.6864   6.8267  -0.9320   9.7985   2.2129   9.5166   6.6265   2.8980   7.0826   2.9695 -0.4561558 4.149302 
1 1 1   36    1   -2 f   19.571   1.4876   52.627   7.7613   57.693   11.740   48.695   10.344   20.239   2.1949   18.612   2.1063 1.627388 3.042086 
1 1 1   36    1   -1 o   17.238   1.6989   41.182   7.7636   52.591   11.267   30.869   10.713   19.306   2.2127   14.486   2.8547 4.820038 3.611891 
1 1 1   36    1    0 o   12.501   2.2053   22.363   7.1338   23.754   10.229   21.046   9.9545   12.608   3.0530   11.858   3.0931 0.7496414 4.346059 
1 1 1   36    1    1 o   17.990   1.5174   44.553   7.2637   34.933   10.295   54.090   10.250   15.559   2.5518   19.681   1.9654 -4.121583 3.220940 
1 1 1   36    1    2 f   10.923   2.4066   17.353   6.8702   10.272   9.5542   24.934   9.8863   8.8692   3.1698   12.970   2.9096 -4.100455 4.302751 
1 1 1   36    1    3 o   17.758   1.5463   43.459   7.3015   39.918   10.261   47.091   10.392   16.739   2.3469   18.279   2.1583 -1.540527 3.188444 
1 1 1   36    1    4 o   37.689   1.0557  192.448   10.687  181.237   15.138  203.589   15.090   36.392   1.5487   38.613   1.4550 -2.221146 2.124997 
1 1 1   36    1    5 o   19.697   1.4468   53.236   7.6005   68.309   10.669   37.707   10.830   22.200   1.8049   16.166   2.5811 6.034687 3.149579 
1 1 1   36    1    6 o   8.5521   2.7313   10.325   7.0823   16.793   10.114   4.1003   9.9208   10.655   3.2434   7.5616   3.0873 3.093699 4.477838 
1 1 1   36    1    7 o   27.421   1.1606  102.059   8.5475  103.194   11.883  100.843   12.304   27.390   1.6225   27.043   1.7026 0.3469830 2.351912 
1 1 1   36    1    8 o   7.1581   2.7401   5.3980   7.3619   10.830   10.595   0.3265   10.237   9.1656   3.3299   6.9703   3.0057 2.195279 4.485799 
1 1 1   36    1    9 o   16.288   1.7668   36.911   7.6058   42.714   10.678   30.935   10.836   17.317   2.3570   14.487   2.8863 2.830310 3.726413 
1 1 1   36    1   10 o   21.482   1.3971   63.201   8.0176   51.305   11.283   75.334   11.395   19.047   2.2489   23.305   1.8353 -4.257830 2.902744 
1 1 1   36    1   11 o   15.272   1.9163   32.710   7.6878   33.448   10.927   31.987   10.818   15.110   2.7955   14.753   2.8331 0.3569345 3.980115 
1 1 1   36    1   12 o   12.984   2.2499   24.169   7.5623   29.649   10.568   18.418   10.826   14.169   2.8753   11.097   3.3507 3.071848 4.415221 
1 1 1   36    1   13 o   4.8815   2.2750  -6.1504   7.2934  -7.1784   10.149  -5.0526   10.488   5.8680   2.7172   6.2519   2.8453 -0.3838911 3.934310 
1 1 1   36    1   14 o   12.128   3.0362   22.065   9.8675   16.800   14.484   26.625   13.479   10.913   3.9026   13.124   3.6769 -2.210701 5.361957 
1 1 1   36    1   15 o   29.432   1.1595  117.684   9.1661  124.047   12.753  110.885   13.183   30.028   1.5869   28.316   1.7418 1.711481 2.356303 
1 1 1   36    1   16 o   6.6910   2.7686   2.5632   8.1162   12.146   12.613  -4.2086   10.603   9.7046   3.6146   6.3857   2.8882 3.318913 4.626770 
1 1 1   36    1   17 o   21.265   1.5914   62.458   9.0231   47.041   12.466   79.426   13.078   17.986   2.6608   23.778   2.0683 -5.792175 3.370111 
1 1 1   36    1   18 o   8.3057   2.9096   9.2826   8.0150   15.883   11.276   2.5436   11.394   10.379   3.4557   7.6136   3.2237 2.765823 4.725846 
1 1 1   36    1   19 o   8.7308   2.9539   10.725   8.2387   16.474   11.997   5.5937   11.334   10.541   3.5646   8.1168   3.3053 2.423862 4.861177 
1 1 1   36    1   20 o   21.232   1.5452   62.358   8.7514   73.921   12.476   51.158   12.279   22.882   2.0518   18.783   2.4957 4.099304 3.230873 
1 1 1   36    1   21 o   12.513   2.5434   23.206   8.2566   23.688   11.930   22.763   11.438   12.272   3.4667   12.060   3.3900 0.2111578 4.848717 
1 1 1   36    1   22 o   7.9940   2.9070   8.3973   8.0773   8.9191   11.435   7.8777   11.411   8.6926   3.3913   8.4808   3.3633 0.2118359 4.776313 
1 1 1   36    1   23 o   22.112   1.4984   67.819   8.8462   67.147   12.491   68.495   12.530   21.626   2.1803   21.854   2.1630 -0.2286034 3.071195 
1 1 1   36    1   24 o   9.7970   2.9413   14.770   8.3595   16.445   11.893   13.135   11.752   10.295   3.5477   9.5315   3.5003 0.7632284 4.983807 
1 1 1   36    1   25 o   8.7780   2.9954   11.431   8.4725   6.6647   12.257   15.792   11.725   8.2790   3.4118   10.074   3.5196 -1.794616 4.901830 
1 1 1   36    1   26 o   10.955   2.9056   18.909   8.6894   25.104   12.774   13.574   11.854   12.222   3.6284   9.5152   3.5121 2.706878 5.049728 
1 1 1   36    1   27 o   7.8381   2.9381   8.2709   8.3598   23.438   12.542  -3.8555   11.214   11.745   3.6185   6.3880   2.9207 5.356915 4.650171 
1 1 1   36    1   28 o   27.731   1.2614  106.278   9.3949  105.467   13.270  107.092   13.303   27.154   1.8302   27.372   1.8198 -0.2185268 2.580936 
1 1 1   36    1   29 o   38.956   1.1602  209.214   12.140  219.542   17.103  198.725   17.235   39.431   1.6149   37.398   1.7158 2.033707 2.356234 
1 1 1   36    1   30 o   5.7216   2.6275  -3.5926   9.2123 -18.9157   13.885   8.4549   12.312   5.6583   2.7648   8.2790   3.4165 -2.620723 4.395089 
1 1 1   36    1   31 o   17.222   2.1250   44.386   9.6210   45.618   14.365   43.385   12.956   16.252   3.4000   16.152   3.0992 0.1005440 4.600559 
1 1 1   36    2  -22 o   16.848   4.9963   54.070   24.232   54.070   24.232   0.0000   0.0000   16.848   4.9963  ?   ?  0.000000 4.996277 
1 1 1   36    2  -21 o   13.348   3.8236   29.597   14.410   41.281   17.431   4.3660   25.615   15.581   4.1070   10.174   4.5545 5.407180 6.132722 
1 1 1   36    2  -20 o   17.047   2.8209   43.670   12.464   36.206   17.396   51.544   17.867   14.591   4.2074   17.786   3.8516 -3.195045 5.704098 
1 1 1   36    2  -19 o   21.260   2.2013   64.699   12.388   62.201   16.916   67.588   18.191   20.160   3.2333   20.941   3.3469 -0.7808647 4.653612 
1 1 1   36    2  -18 o   21.803   2.1177   67.539   12.245   68.854   18.489   66.512   16.342   21.190   3.3608   21.105   2.9647 0.8480453E-01 4.481597 
1 1 1   36    2  -17 o   13.959   2.5820   28.722   9.3245   17.220   13.858   38.238   12.605   10.785   3.8215   15.900   3.0626 -5.114964 4.897279 
1 1 1   36    2  -16 o   5.9834   2.6671  -2.2083   8.6842   14.945   12.885 -16.4840   11.755   10.250   3.6793   5.4642   2.6405 4.786057 4.528747 
1 1 1   36    2  -15 o   15.049   2.3186   32.625   9.0705   40.001   12.678   24.891   12.983   16.358   2.9960   12.614   3.6339 3.743502 4.709661 
1 1 1   36    2  -14 o   14.665   2.3871   31.086   9.0790   27.505   12.932   34.566   12.749   13.293   3.5535   15.073   3.2452 -1.779894 4.812315 
1 1 1   36    2  -13 o   8.2502   3.0333   8.5224   8.8290   7.6390   12.187   9.4981   12.808   8.7164   3.4699   9.1855   3.5876 -0.4690495 4.991064 
1 1 1   36    2  -12 f   23.237   1.5555   74.410   9.6525   75.616   14.168   73.365   13.186   23.077   2.3170   22.798   2.1800 0.2789993 3.181379 
1 1 1   36    2  -11 o   7.3774   3.0273   3.7754   9.5993   10.269   15.241  -0.4947   12.359   9.7609   3.8820   7.4344   3.2529 2.326478 5.064720 
1 1 1   36    2  -10 o   8.8137   3.2322   9.8870   10.016 -25.8269   15.769   34.038   12.968   6.0469   2.9529   14.974   3.3120 -8.927411 4.437253 
1 1 1   36    2   -9 o   7.6508   2.7734   7.2885   7.3438   11.049   10.849   4.1089   9.9769   9.2231   3.3667   7.5539   3.0914 1.669186 4.570780 
1 1 1   36    2   -8 o   13.115   1.8072   24.146   6.1968   15.908   8.5565   33.232   8.9864   10.352   2.9399   15.258   2.2612 -4.906441 3.708872 
1 1 1   36    2   -7 o   31.213   1.0202  131.995   8.5529  131.574   11.158  132.595   13.318   31.066   1.3373   31.047   1.6025 0.1890945E-01 2.087149 
1 1 1   36    2   -6 o   15.393   1.7237   32.987   7.0042   40.071   9.3005   23.704   10.646   16.848   2.1008   12.536   3.1622 4.312537 3.796478 
1 1 1   36    2   -5 o   8.8244   2.6744   11.240   6.8873   13.916   9.1837   7.7995   10.412   9.7878   3.1086   8.4276   3.2504 1.360159 4.497580 
1 1 1   36    2   -4 o   11.549   2.7809   19.765   8.5229   14.520   11.327   26.609   12.940   10.118   3.4634   13.157   3.5705 -3.039423 4.974277 
1 1 1   36    2   -3 o   16.128   1.7747   36.243   7.5605   39.438   10.174   32.302   11.299   16.621   2.3442   14.765   2.9523 1.855875 3.769735 
1 1 1   36    2   -2 o   9.1246   2.6914   12.108   7.0471   3.9851   9.6236   21.500   10.348   7.4449   3.0403   11.947   3.1718 -4.501912 4.393602 
1 1 1   36    2   -1 o   31.785   1.0795  136.993   9.2158  145.678   12.804  127.659   13.274   32.648   1.4602   30.457   1.6286 2.190649 2.187330 
1 1 1   36    2    0 o   14.551   1.8490   29.663   7.0630   24.284   9.9325   35.166   10.046   12.763   2.9556   15.627   2.4759 -2.864295 3.855576 
1 1 1   36    2    1 o   6.5589   2.6406   3.2987   7.1413   2.2508   10.187   4.3113   10.014   7.2759   3.0626   7.6150   3.1046 -0.3390975 4.360973 
1 1 1   36    2    2 o   28.478   1.1367  110.080   8.6948  119.598   12.739  101.779   11.897   29.483   1.6148   27.183   1.6371 2.300667 2.299505 
1 1 1   36    2    3 o   17.578   1.6462   42.773   7.6817   42.853   11.006   42.698   10.726   17.297   2.4365   17.293   2.3718 0.4154205E-02 3.400279 
1 1 1   36    2    4 o   25.077   1.4566   86.226   9.7689   74.207   14.636   95.881   13.119   22.845   2.4223   26.278   1.8709 -3.433165 3.060673 
1 1 1   36    2    5 o   5.2491   2.3737  -3.2872   7.1592  -1.2920   10.516  -5.0109   9.7741   6.7880   2.9846   6.0076   2.7390 0.7803583 4.050879 
1 1 1   36    2    6 o   9.2284   2.8090   12.364   7.5864   19.353   10.998   6.0213   10.478   11.335   3.3671   8.0679   3.2156 3.266921 4.655880 
1 1 1   36    2    7 o   22.826   1.3657   71.318   8.3342   76.457   12.155   66.758   11.449   23.413   1.9507   21.859   1.9713 1.553980 2.773294 
1 1 1   36    2    8 o   10.823   2.7364   17.351   7.9591   18.534   11.156   16.126   11.358   11.112   3.4110   10.504   3.4668 0.6078520 4.863497 
1 1 1   36    2    9 o   16.446   1.8500   37.816   8.0297   44.776   11.683   31.585   11.055   17.626   2.5412   14.592   2.9224 3.033337 3.872753 
1 1 1   36    2   10 o   9.0323   2.8425   11.756   7.6930   21.729   11.266   3.0449   10.530   11.946   3.3668   7.4994   3.1324 4.446463 4.598604 
1 1 1   36    2   11 o   14.817   2.0970   31.156   8.1122   37.176   11.773   25.714   11.194   15.874   2.8667   13.013   3.2201 2.861271 4.311270 
1 1 1   36    2   12 f   22.554   1.4494   69.882   8.7336   88.069   12.687   53.503   12.040   25.140   1.8928   19.356   2.3652 5.784746 3.029374 
1 1 1   36    2   13 o   13.962   2.6586   28.645   9.6058   15.672   13.952   40.337   13.245   10.570   3.8240   16.397   3.1215 -5.827192 4.936276 
1 1 1   36    2   14 o   5.5609   2.5193  -3.6273   8.1065  -9.7569   11.541   2.3430   11.390   6.0265   2.8258   7.5804   3.2170 -1.553857 4.281909 
1 1 1   36    2   15 o   7.9215   2.9242   7.7696   8.2187   3.3851   12.074   11.555   11.219   7.9151   3.3331   9.3311   3.4209 -1.416056 4.776205 
1 1 1   36    2   16 o   28.369   1.2436  109.777   9.4755  116.119   13.991  104.404   12.879   28.876   1.8131   27.404   1.7590 1.471939 2.526151 
1 1 1   36    2   17 o   13.506   2.4886   26.766   8.6949   50.178   13.045   8.0523   11.663   18.477   2.7091   8.6262   3.4069 9.850785 4.352725 
1 1 1   36    2   18 o   13.956   2.3331   28.339   8.4371   31.892   12.403   25.278   11.511   14.337   3.2906   12.725   3.3295 1.611940 4.681240 
1 1 1   36    2   19 o   17.056   2.1398   41.688   9.5870   40.938   13.231   42.516   13.911   16.352   3.1264   16.601   3.2361 -0.2489109 4.499586 
1 1 1   36    2   20 o   8.5927   2.9388   10.588   8.1556  -0.0790   11.591   21.045   11.477   7.1458   3.1379   11.519   3.4436 -4.373704 4.658823 
1 1 1   36    2   21 o   6.6415   2.7451   3.0729   7.9663  -6.1514   11.313   12.147   11.220   6.2487   2.8848   9.2803   3.4183 -3.031584 4.472848 
1 1 1   36    2   22 o   42.149   1.1946  243.402   13.524  249.816   20.283  238.268   18.147   42.183   1.7902   41.347   1.6341 0.8365021 2.423841 
1 1 1   36    2   23 o   10.329   2.9317   16.720   8.5115   22.707   12.422   11.422   11.686   11.708   3.6002   9.0785   3.4577 2.629712 4.991718 
1 1 1   36    2   24 o   22.408   1.5362   70.295   9.1898   85.652   13.638   57.524   12.437   24.324   2.1084   19.695   2.4008 4.628685 3.195244 
1 1 1   36    2   25 o   14.639   2.4090   32.232   9.1422   20.969   13.446   41.917   12.468   11.086   3.7735   16.327   2.9517 -5.241426 4.790823 
1 1 1   36    2   26 o   13.010   2.4306   25.781   8.1810   15.300   11.770   35.578   11.380   9.7361   3.5138   14.961   2.9368 -5.224560 4.579498 
1 1 1   36    2   27 o   8.8347   2.9957   12.322   8.4739   11.880   11.453   12.857   12.596   8.9030   3.4155   9.1914   3.5666 -0.2883577 4.938254 
1 1 1   36    2   28 o   11.137   2.8080   20.110   8.3978   22.649   11.308   16.986   12.540   11.395   3.4208   9.9491   3.6215 1.445426 4.981652 
1 1 1   36    2   29 o   10.742   3.1086   19.636   9.4814   20.192   12.537   18.894   14.492   10.559   3.6422   10.211   3.8598 0.3475275 5.306974 
1 1 1   36    2   30 o   18.661   1.8590   51.110   9.1938   55.212   12.867   46.831   13.142   18.645   2.6433   16.764   3.0302 1.881224 4.021116 
1 1 1   36    3  -21 o   9.9264   4.3792   8.1220   22.820   8.1220   22.820   0.0000   0.0000   9.9264   4.3792  ?   ?  0.000000 4.379225 
1 1 1   36    3  -20 o   9.0045   3.8452   6.8212   16.454   6.8212   16.454   0.0000   0.0000   9.0045   3.8452  ?   ?  0.000000 3.845239 
1 1 1   36    3  -19 o   10.947   3.7964   19.256   13.629   5.3652   16.371   50.630   24.602   8.8523   3.8092   16.190   5.0813 -7.337667 6.350523 
1 1 1   36    3  -18 o   10.950   3.5419   19.072   11.881   22.155   16.405   15.671   17.230   11.650   4.1548   10.543   4.1481 1.107800 5.871022 
1 1 1   36    3  -17 o   12.272   3.5293   24.192   12.256   16.511   16.984   32.536   17.702   10.725   4.1472   13.770   4.3083 -3.045156 5.980063 
1 1 1   36    3  -16 o   20.934   1.9784   62.075   10.992   85.845   18.329   48.726   13.736   23.978   2.9053   17.972   2.9479 6.006498 4.138972 
1 1 1   36    3  -15 o   16.556   2.3702   39.798   10.239   49.689   16.452   33.545   13.081   17.765   3.5717   14.627   3.3949 3.138323 4.927715 
1 1 1   36    3  -14 o   12.472   2.8443   23.510   9.3167   21.397   13.634   25.361   12.761   11.666   3.7957   12.650   3.5895 -0.9841013 5.224163 
1 1 1   36    3  -13 o   10.514   3.0148   16.763   8.9543   20.839   12.872   12.942   12.465   11.563   3.6810   9.7443   3.6004 1.818553 5.149073 
1 1 1   36    3  -12 o   22.082   1.6629   67.700   9.7902   70.419   13.932   65.048   13.761   22.157   2.3782   21.242   2.4573 0.9148788 3.419697 
1 1 1   36    3  -11 o   9.8136   3.0662   14.301   8.9700   41.178   13.223  -8.6110   12.209   16.532   3.0916   6.3443   2.9523 10.18761 4.274766 
1 1 1   36    3  -10 o   19.846   1.8190   55.024   9.5882   55.020   13.793   55.027   13.338   19.400   2.7220   19.459   2.6185 -0.5863380E-01 3.777022 
1 1 1   36    3   -9 o   7.5511   2.5294   7.8204   6.0404   12.266   10.702   5.7418   7.3175   9.4368   3.3567   7.1928   2.7370 2.244063 4.331103 
1 1 1   36    3   -8 o   23.205   1.1386   73.206   7.0963   67.695   10.535   77.783   9.6013   22.050   1.7943   23.765   1.5121 -1.714205 2.346473 
1 1 1   36    3   -7 o   15.217   1.7774   32.410   7.1280   31.808   10.443   32.935   9.7533   14.684   2.7488   15.060   2.4988 -0.3757277 3.714847 
1 1 1   36    3   -6 o   13.248   1.9070   24.805   6.5901   24.728   9.3841   24.880   9.2568   12.897   2.7901   12.955   2.7456 -0.5799675E-01 3.914409 
1 1 1   36    3   -5 o   7.1044   2.6218   6.0117   6.6056   7.3276   9.3298   4.6891   9.3537   8.0621   3.0851   7.4861   3.0192 0.5759792 4.316575 
1 1 1   36    3   -4 o   5.3841   2.4310  -3.1906   7.4753  -6.3282   9.1856   2.9621   12.863   5.6052   2.5918   8.0702   3.4215 -2.465049 4.292336 
1 1 1   36    3   -3 o   30.622   1.0633  127.225   8.7453  127.891   11.849  126.427   12.961   30.572   1.4430   30.293   1.5986 0.2782822 2.153553 
1 1 1   36    3   -2 o   7.8028   2.8267   7.6725   7.6267   10.705   9.8853   3.2134   11.988   8.9775   3.2226   7.8978   3.3232 1.079690 4.629144 
1 1 1   36    3   -1 o   17.391   1.8711   42.333   8.6023   53.877   10.332   16.251   15.530   19.592   1.9911   10.859   4.0175 8.732903 4.483892 
1 1 1   36    3    0 o   15.548   1.9884   34.102   8.1135   41.717   10.452   22.555   12.870   17.073   2.3409   12.100   3.6533 4.973619 4.338935 
1 1 1   36    3    1 o   14.103   2.2128   28.464   8.1061   31.085   10.344   24.295   13.048   14.527   2.7519   12.523   3.6533 2.003906 4.573800 
1 1 1   36    3    2 o   18.341   1.7122   46.743   8.3373   46.891   11.021   46.545   12.748   18.126   2.3168   17.853   2.7465 0.2726727 3.593169 
1 1 1   36    3    3 o   23.003   1.3964   72.568   8.5864   80.402   13.022   66.542   11.421   23.941   2.0447   21.798   1.9721 2.142241 2.840741 
1 1 1   36    3    4 o   13.143   2.2226   24.814   7.5661   20.784   10.538   29.101   10.870   11.692   3.2424   13.937   2.9932 -2.244574 4.412761 
1 1 1   36    3    5 o   19.074   1.5509   50.244   7.8767   41.581   10.935   59.586   11.356   16.980   2.4700   20.565   2.0847 -3.584450 3.232185 
1 1 1   36    3    6 o   20.763   1.4405   59.273   7.9838   53.670   11.238   64.983   11.344   19.458   2.1883   21.526   1.9844 -2.068483 2.954055 
1 1 1   36    3    7 o   37.221   1.0550  188.000   10.547  186.686   14.931  189.309   14.900   36.894   1.5068   37.159   1.4929 -0.2653389 2.121089 
1 1 1   36    3    8 o   13.914   2.1472   27.679   7.7664   19.811   10.829   36.011   11.144   11.395   3.3294   15.637   2.7540 -4.242070 4.320792 
1 1 1   36    3    9 o   4.9201   2.3062  -6.9481   7.6742  -4.5065   10.641  -9.5948   11.078   6.3373   2.8771   5.8857   2.7627 0.4515424 3.988724 
1 1 1   36    3   10 o   10.889   2.6801   17.669   7.7853   19.347   10.885   15.912   11.140   11.249   3.3515   10.361   3.4340 0.8880329 4.798402 
1 1 1   36    3   11 o   12.045   2.6674   21.576   8.4018   26.845   13.076   17.871   10.965   13.073   3.6066   10.845   3.3904 2.227748 4.949968 
1 1 1   36    3   12 o   5.4844   2.5353  -5.9100   8.7821 -10.4864   12.287  -1.1298   12.557   6.1682   2.8998   7.3413   3.2431 -1.173071 4.350491 
1 1 1   36    3   13 o   16.477   1.8883   38.272   8.2061   20.876   11.344   57.367   11.885   11.596   3.4132   20.032   2.2477 -8.435829 4.086824 
1 1 1   36    3   14 o   7.0107   2.7922   4.5505   7.8953   8.1872   11.110   0.8402   11.222   8.5271   3.3383   7.2362   3.1336 1.290877 4.578658 
1 1 1   36    3   15 o   12.431   2.5187   22.915   8.1213   11.804   11.224   35.123   11.765   9.2990   3.4199   15.213   2.9860 -5.914257 4.539979 
1 1 1   36    3   16 o   20.134   1.6970   56.674   9.0916   61.537   12.564   51.329   13.173   20.656   2.3038   18.603   2.7165 2.053576 3.561861 
1 1 1   36    3   17 o   10.743   2.9979   17.831   8.9793   12.173   11.859   25.432   13.746   9.3937   3.5037   12.475   3.7776 -3.081027 5.152344 
1 1 1   36    3   18 o   7.4373   2.8851   6.2702   8.2398   17.422   11.584  -5.1488   11.722   10.543   3.5022   6.4874   2.9735 4.055332 4.594238 
1 1 1   36    3   19 o   29.003   1.2858  115.605   10.017  113.975   13.332  117.717   15.178   28.476   1.7516   28.768   1.9764 -0.2920570 2.640876 
1 1 1   36    3   20 o   21.943   1.6256   67.535   9.5122   82.224   12.858   49.778   14.137   23.956   2.0171   17.895   3.0507 6.061630 3.657290 
1 1 1   36    3   21 o   15.838   2.6487   38.095   10.870   48.906   13.981   21.572   17.283   17.668   3.0567   11.309   4.2275 6.359378 5.216767 
1 1 1   36    3   22 o   12.987   2.6670   26.026   8.9915   30.492   12.106   20.530   13.429   13.614   3.3366   11.020   3.7710 2.594313 5.035198 
1 1 1   36    3   23 o   9.5050   2.9063   14.333   8.1079   14.626   11.517   14.045   11.416   9.6081   3.4747   9.4726   3.4542 0.1354265 4.899485 
1 1 1   36    3   24 o   5.1129   2.3911  -5.8528   8.1696  -7.3466   11.266  -4.1958   11.865   5.9496   2.7905   6.4632   2.9731 -0.5136313 4.077512 
1 1 1   36    3   25 o   15.377   2.0424   34.885   8.2268   31.650   11.328   38.494   11.967   13.846   3.1208   15.425   2.9964 -1.578817 4.326455 
1 1 1   36    3   26 o   18.765   1.7235   50.683   8.5897   54.455   12.223   47.003   12.074   18.820   2.4783   17.287   2.6876 1.533314 3.655827 
1 1 1   36    3   27 o   10.649   2.8489   18.746   8.3079   18.614   11.196   18.909   12.393   10.255   3.4436   10.251   3.6159 0.4683495E-02 4.993295 
1 1 1   36    3   28 o   5.5574   2.5663  -3.6797   8.9610 -11.9172   11.884   7.1784   13.644   5.5618   2.6795   8.0716   3.4753 -2.509811 4.388333 
1 1 1   36    4  -19 o   9.8627   4.4383   6.5020   24.675   6.5020   24.675   0.0000   0.0000   9.8627   4.4383  ?   ?  0.000000 4.438349 
1 1 1   36    4  -18 o   23.223   3.1173   84.503   18.953   84.503   18.953   0.0000   0.0000   23.223   3.1173  ?   ?  0.000000 3.117333 
1 1 1   36    4  -17 o   9.9586   4.0175   13.447   16.568   13.447   16.568   0.0000   0.0000   9.9586   4.0175  ?   ?  0.000000 4.017529 
1 1 1   36    4  -16 o   10.015   3.8268   14.654   14.343   4.6317   17.402   35.880   25.326   8.9015   3.8784   13.661   5.1153 -4.759439 6.419334 
1 1 1   36    4  -15 o   7.2490   3.0439   3.4130   10.024 -13.5402   15.836   14.746   12.947   6.7700   3.2152   9.9647   3.6718 -3.194771 4.880492 
1 1 1   36    4  -14 o   43.198   1.2798  256.060   14.849  231.344   24.385  270.626   18.720   40.099   2.2735   44.166   1.5781 -4.066536 2.767523 
1 1 1   36    4  -13 o   7.9479   3.0828   7.3381   9.4067   13.493   14.863   3.2252   12.150   9.9860   3.8745   7.7772   3.3122 2.208797 5.097331 
1 1 1   36    4  -12 o   18.323   2.1768   48.243   10.503   26.770   16.664   62.397   13.529   12.679   4.1998   20.672   2.4865 -7.993304 4.880727 
1 1 1   36    4  -11 o   8.9931   3.0810   11.659   8.9642  -3.0173   13.495   23.248   11.992   7.2863   3.2803   12.103   3.4943 -4.816278 4.792727 
1 1 1   36    4  -10 o   8.6425   3.0461   10.380   8.7933   7.9738   12.643   12.633   12.238   8.7450   3.5160   9.5994   3.5634 -0.8544178 5.006002 
1 1 1   36    4   -9 o   8.2759   3.0609   8.7903   9.0137   4.1949   12.924   13.143   12.578   8.1762   3.4459   9.7634   3.6149 -1.587216 4.994188 
1 1 1   36    4   -8 o   10.970   2.2043   17.550   6.2697   23.111   9.1686   12.666   8.5929   12.374   2.8213   9.2817   3.0131 3.092175 4.127776 
1 1 1   36    4   -7 o   17.654   1.5440   43.232   7.2476   41.827   10.308   44.605   10.192   17.035   2.3126   17.657   2.1967 -0.6212673 3.189608 
1 1 1   36    4   -6 o   19.585   1.4384   52.910   7.5139   57.808   11.479   49.239   9.9390   20.159   2.1534   18.655   2.0157 1.503962 2.949570 
1 1 1   36    4   -5 f   21.750   1.4457   65.193   8.3977   63.691   14.753   65.913   10.214   20.863   2.6958   21.737   1.7647 -0.8733768 3.222031 
1 1 1   36    4   -4 o   18.817   1.6064   49.153   8.0413   61.067   10.572   32.800   12.386   20.855   1.9085   14.617   3.2401 6.238899 3.760419 
1 1 1   36    4   -3 o   18.055   1.5333   45.136   7.3652   55.089   10.637   35.970   10.208   19.745   2.0349   15.709   2.5035 4.036062 3.226204 
1 1 1   36    4   -2 o   44.931   0.9244  273.496   11.156  282.695   16.457  265.674   15.175   45.458   1.3478   44.108   1.2809 1.350655 1.859428 
1 1 1   36    4   -1 o   20.469   1.4668   57.778   8.0108   61.085   10.912   53.912   11.798   20.834   1.9735   19.399   2.3097 1.434324 3.037983 
1 1 1   36    4    0 o   22.624   1.3483   70.253   8.1561   80.282   11.267   59.211   11.822   24.015   1.7590   20.403   2.1917 3.612091 2.810275 
1 1 1   36    4    1 o   6.4426   2.6486   2.6787   7.3649   5.9612   10.052  -1.1259   10.822   7.8829   3.1471   6.8482   3.0188 1.034673 4.360871 
1 1 1   36    4    2 o   9.1115   2.8857   12.139   7.9182   11.420   10.503   13.085   12.052   9.1790   3.3184   9.7498   3.5501 -0.5708504 4.859487 
1 1 1   36    4    3 o   28.092   1.3329  107.924   10.057  110.450   12.204  102.581   17.753   28.258   1.6146   26.691   2.5057 1.566481 2.980833 
1 1 1   36    4    4 o   25.053   1.3916   86.239   9.3273   87.703   12.162   84.148   14.535   25.068   1.8186   24.311   2.2515 0.7567444 2.894217 
1 1 1   36    4    5 f   6.3927   2.6798   1.8980   7.7480  -3.9057   10.287   9.5074   11.779   6.2778   2.8416   8.9403   3.4547 -2.662425 4.473183 
1 1 1   36    4    6 o   19.285   1.9464   52.414   9.9441   51.168   13.725   53.792   14.428   18.581   2.8403   19.011   2.9188 -0.4304867 4.072680 
1 1 1   36    4    7 o   9.5182   2.9113   13.499   8.1354   10.606   10.779   17.328   12.402   9.0028   3.3438   10.709   3.6242 -1.705990 4.931068 
1 1 1   36    4    8 o   7.0146   2.7699   4.7758   7.7084   10.219   10.879  -0.7134   10.924   8.9212   3.3502   6.9151   3.0412 2.006084 4.524649 
1 1 1   36    4    9 o   32.731   1.1053  145.850   9.7166  148.404   13.354  142.976   14.165   32.822   1.5148   32.104   1.6483 0.7179604 2.238604 
1 1 1   36    4   10 o   8.3496   2.8744   9.7682   7.8060   6.5047   10.864   13.252   11.224   8.1195   3.2611   9.6279   3.4362 -1.508471 4.737318 
1 1 1   36    4   11 o   7.0284   2.8298   4.3656   8.2023   5.1230   12.375   3.7721   10.954   8.1772   3.4039   7.6185   3.1896 0.5586958 4.664777 
1 1 1   36    4   12 o   5.9261   2.6431  -1.9569   8.5408   10.940   10.996 -21.5687   13.560   9.0363   3.3731   5.6019   2.7362 3.434431 4.343352 
1 1 1   36    4   13 o   5.8632   2.5793  -0.8279   7.8636   6.7885   11.000  -8.7885   11.246   8.1503   3.2786   5.9503   2.7899 2.199961 4.304991 
1 1 1   36    4   14 o   8.5712   2.9258   10.638   8.0836   2.2669   11.006   20.442   11.911   7.3232   3.1365   11.294   3.5341 -3.971228 4.725179 
1 1 1   36    4   15 o   6.9711   2.8239   4.3421   8.2223   14.891   11.252  -7.7459   12.045   9.8850   3.4482   6.2750   2.9241 3.610003 4.521145 
1 1 1   36    4   16 o   13.134   2.4357   25.771   8.2760   16.001   11.365   36.801   12.075   10.117   3.4691   15.371   3.0326 -5.253442 4.607749 
1 1 1   36    4   17 o   8.5766   3.0288   10.711   8.6983   5.6800   11.463   17.540   13.356   7.9264   3.2858   10.482   3.7476 -2.555539 4.984090 
1 1 1   36    4   18 o   7.8435   2.9726   8.0156   8.6098   5.3011   11.125   12.069   13.595   7.7575   3.2282   9.3606   3.6842 -1.603129 4.898403 
1 1 1   36    4   19 o   15.817   2.1671   36.767   8.9641   39.368   11.902   33.359   13.627   15.870   2.8991   14.040   3.5973 1.829206 4.620088 
1 1 1   36    4   20 o   24.426   1.7972   85.138   11.708   92.276   16.374   77.670   16.746   24.783   2.4937   22.371   2.8520 2.412193 3.788438 
1 1 1   36    4   21 o   9.8916   2.9530   15.790   8.4438   24.186   11.441   5.7447   12.514   11.929   3.4035   7.9705   3.3768 3.959017 4.794376 
1 1 1   36    4   22 o   7.4774   2.8308   7.5701   7.8029   4.8759   10.849   10.457   11.230   7.4708   3.1535   8.5769   3.3567 -1.106063 4.605639 
1 1 1   36    4   23 o   16.980   1.9880   42.395   8.8954   49.590   12.413   34.801   12.754   17.793   2.6806   14.241   3.3842 3.551177 4.317221 
1 1 1   36    4   24 o   17.012   1.8414   42.217   8.2799   41.061   11.510   43.456   11.920   16.022   2.7751   16.474   2.7938 -0.4514065 3.937836 
1 1 1   36    4   25 o   6.8413   2.7704   5.3184   7.9110   13.983   11.179  -3.3746   11.197   9.1236   3.4020   6.2414   2.8774 2.882168 4.455639 
1 1 1   36    4   26 o   15.686   1.9394   36.608   7.9972   28.410   10.855   46.339   11.827   12.772   3.1773   16.975   2.6831 -4.202897 4.158602 
1 1 1   36    5  -18 o   16.155   5.2251   58.100   25.858   58.100   25.858   0.0000   0.0000   16.155   5.2251  ?   ?  0.000000 5.225125 
1 1 1   36    5  -17 o   7.4773   3.4499  -4.1561   16.142  -4.1561   16.142   0.0000   0.0000   7.4773   3.4499  ?   ?  0.000000 3.449850 
1 1 1   36    5  -16 f   14.434   4.1937   38.280   17.225   38.280   17.225   0.0000   0.0000   14.434   4.1937  ?   ?  0.000000 4.193660 
1 1 1   36    5  -15 o   20.918   3.3383   70.588   18.125   70.588   18.125   0.0000   0.0000   20.918   3.3383  ?   ?  0.000000 3.338258 
1 1 1   36    5  -14 o   11.750   3.7091   23.411   13.090   14.217   16.087   41.430   22.521   9.9621   3.9799   14.474   4.8839 -4.511777 6.300125 
1 1 1   36    5  -13 o   26.815   1.8266  101.981   13.077   96.156   19.324  106.903   17.763   25.033   2.9294   26.863   2.4902 -1.829250 3.844763 
1 1 1   36    5  -12 o   16.415   2.3674   39.807   10.136   56.860   16.464   29.400   12.862   18.871   3.3719   13.346   3.5327 5.524852 4.883656 
1 1 1   36    5  -11 o   18.761   2.1661   51.002   10.715   76.427   17.047   34.398   13.776   22.410   2.9001   14.478   3.5661 7.932953 4.596487 
1 1 1   36    5  -10 o   8.2515   3.2056   8.3006   10.184  -5.4157   16.634   16.523   12.879   7.6784   3.5278   10.331   3.6816 -2.652838 5.098937 
1 1 1   36    5   -9 o   6.9247   2.9529   2.0635   9.6780   4.1940   16.385   0.9219   11.994   8.7343   3.7844   7.3525   3.2112 1.381780 4.963203 
1 1 1   36    5   -8 o   6.4177   2.8388  -1.0181   9.6525  -0.8284   15.419  -1.1403   12.378   7.9431   3.5463   7.1765   3.1926 0.7666044 4.771706 
1 1 1   36    5   -7 o   26.677   1.5082   98.672   10.762  109.251   15.974   89.877   14.565   27.622   2.1706   25.027   2.1887 2.594702 3.082526 
1 1 1   36    5   -6 o   9.6387   2.8311   14.115   7.8121   31.064   10.008 -12.3209   12.499   14.384   2.6893   5.9953   2.8499 8.388721 3.918475 
1 1 1   36    5   -5 o   11.659   2.5584   20.387   7.7916   29.314   13.279   15.700   9.6220   13.469   3.6011   10.113   3.1783 3.356290 4.803060 
1 1 1   36    5   -4 o   18.452   1.5773   47.440   7.7422   43.330   11.617   50.724   10.384   17.111   2.6104   18.838   2.0875 -1.726879 3.342423 
1 1 1   36    5   -3 o   11.546   2.4566   19.830   7.3840   18.274   11.098   21.067   9.8912   10.822   3.4151   11.643   3.1057 -0.8213587 4.616073 
1 1 1   36    5   -2 o   7.5944   2.8051   7.2931   7.5647   17.583   10.577  -3.4822   10.824   10.647   3.3301   6.4603   2.9203 4.187085 4.429188 
1 1 1   36    5   -1 o   11.784   2.3982   20.543   7.3325   18.308   10.380   22.768   10.359   10.849   3.2822   12.089   3.1563 -1.240605 4.553572 
1 1 1   36    5    0 o   15.483   1.9019   34.030   7.7430   37.088   10.934   30.955   10.967   15.786   2.6743   14.239   2.9639 1.547413 3.992089 
1 1 1   36    5    1 o   18.259   1.6998   46.694   8.2409   45.759   11.363   47.732   11.969   17.693   2.4574   18.026   2.5428 -0.3331089 3.536194 
1 1 1   36    5    2 o   8.6520   2.9493   10.735   8.2138   5.5862   11.957   15.336   11.303   8.1526   3.3658   10.094   3.4596 -1.941301 4.826764 
1 1 1   36    5    3 o   11.881   2.6876   21.315   8.3758   29.722   11.889   13.032   11.802   13.772   3.2641   9.5963   3.5101 4.175380 4.793227 
1 1 1   36    5    4 o   18.013   1.6823   45.445   8.0452   45.731   10.852   45.097   11.987   17.746   2.3335   17.444   2.6412 0.3016758 3.524322 
1 1 1   36    5    5 o   8.8255   2.8765   11.477   7.8288   12.877   10.787   9.9182   11.380   9.4454   3.3689   8.8575   3.4030 0.5879021 4.788530 
1 1 1   36    5    6 o   5.7219   2.5539  -1.9392   7.9904  -4.4844   10.656   1.3300   12.077   6.2620   2.8569   7.4698   3.2428 -1.207776 4.321756 
1 1 1   36    5    7 o   6.0341   2.5983   0.5789   7.6280  -3.0047   10.226   5.0737   11.453   6.3161   2.8484   7.9187   3.2837 -1.602618 4.346946 
1 1 1   36    5    8 o   18.513   1.6470   48.016   8.1040   42.243   11.184   54.399   11.760   16.886   2.5448   19.346   2.3087 -2.460526 3.436010 
1 1 1   36    5    9 o   8.9793   2.8554   12.118   7.7468   3.6998   10.576   21.863   11.379   7.4469   3.1268   11.665   3.4141 -4.218314 4.629569 
1 1 1   36    5   10 o   25.935   1.3047   92.704   9.0592   81.278   12.324  106.137   13.362   23.914   1.9352   27.427   1.8243 -3.512583 2.659562 
1 1 1   36    5   11 o   19.787   1.7508   55.286   9.2092   64.947   11.865   40.644   14.606   21.233   2.1083   15.805   3.5299 5.428099 4.111582 
1 1 1   36    5   12 o   9.3409   2.8903   13.437   7.9919   8.5930   10.890   19.090   11.765   8.3877   3.2986   10.848   3.5258 -2.460307 4.828260 
1 1 1   36    5   13 o   24.350   1.4093   82.339   9.1775   85.758   12.634   78.518   13.354   24.501   1.9355   23.269   2.1615 1.232567 2.901420 
1 1 1   36    5   14 o   8.6939   2.9344   11.411   8.1302   4.0127   11.358   19.184   11.643   7.5802   3.2146   10.798   3.5073 -3.217434 4.757609 
1 1 1   36    5   15 o   20.492   1.6149   59.196   8.8162   65.351   12.342   52.784   12.598   21.118   2.2086   18.686   2.5788 2.432440 3.395329 
1 1 1   36    5   16 f   11.627   2.7189   21.181   8.3392   15.399   11.687   27.179   11.903   9.8049   3.5056   12.731   3.4118 -2.925830 4.891824 
1 1 1   36    5   17 o   9.4188   3.0802   14.192   8.9737   21.628   11.979   4.6838   13.546   11.238   3.5483   8.0146   3.4568 3.222898 4.953808 
1 1 1   36    5   18 o   10.614   2.8113   18.066   8.1416   26.447   11.285   8.9665   11.758   12.528   3.3056   8.3834   3.3836 4.144897 4.730271 
1 1 1   36    5   19 o   17.090   2.0661   43.081   9.2909   51.072   13.030   34.817   13.251   18.014   2.7826   14.193   3.4985 3.821690 4.470191 
1 1 1   36    5   20 o   6.1688   2.6903   1.0235   8.3914   9.7723   12.048  -7.2202   11.695   8.4667   3.4223   6.0219   2.8304 2.444836 4.441076 
1 1 1   36    5   21 o   6.6792   2.7430   4.4453   7.8890   15.395   10.859  -7.7933   11.480   9.5183   3.3818   5.8763   2.7749 3.642009 4.374507 
1 1 1   36    5   22 o   5.6511   2.5668  -2.0501   8.4826  -1.0967   11.842  -3.0548   12.156   6.6755   3.0324   6.5163   3.0019 0.1591954 4.266976 
1 1 1   36    5   23 o   5.2978   2.4166  -2.3701   7.6213  -8.6349   10.579   4.3899   10.989   5.4797   2.6097   7.2218   3.1142 -1.742107 4.063079 
1 1 1   36    5   24 o   7.2009   2.8039   7.2432   7.8051   13.040   10.960   1.2794   11.117   8.7732   3.3470   6.7336   3.0085 2.039538 4.500330 
1 1 1   36    6  -16 o   5.3827   2.7316 -59.5900   20.476 -59.5900   20.476   0.0000   0.0000   5.3827   2.7316  ?   ?  0.000000 2.731590 
1 1 1   36    6  -15 o   6.7642   3.2066  -9.8810   15.610  -9.8810   15.610   0.0000   0.0000   6.7642   3.2066  ?   ?  0.000000 3.206553 
1 1 1   36    6  -14 o   11.604   4.2274   25.348   17.093   25.348   17.093   0.0000   0.0000   11.604   4.2274  ?   ?  0.000000 4.227416 
1 1 1   36    6  -13 o   7.7921   3.5419  -0.8828   16.190  -0.8828   16.190   0.0000   0.0000   7.7921   3.5419  ?   ?  0.000000 3.541923 
1 1 1   36    6  -12 o   15.164   3.5174   38.892   14.048   50.443   17.164   15.450   24.451   16.995   3.8494   10.550   4.5970 6.444739 5.995825 
1 1 1   36    6  -11 o   10.114   3.5977   16.735   12.294   8.4221   15.373   31.483   20.477   8.8809   3.7515   12.719   4.6280 -3.837944 5.957496 
1 1 1   36    6  -10 o   12.537   3.2772   25.891   11.159   37.490   15.705   14.065   15.859   14.590   3.9228   9.8379   3.9440 4.751723 5.562721 
1 1 1   36    6   -9 o   9.5026   3.4264   13.964   11.187   22.729   15.430   4.2500   16.244   11.443   4.0348   8.5174   3.7280 2.925551 5.493448 
1 1 1   36    6   -8 o   20.357   2.0080   59.778   10.836   56.078   17.343   62.147   13.878   18.364   3.6447   20.303   2.6050 -1.938072 4.479970 
1 1 1   36    6   -7 o   28.749   1.5213  115.396   11.705  147.286   19.796   98.255   14.514   31.688   2.3426   26.085   2.0891 5.602705 3.138792 
1 1 1   36    6   -6 o   7.9319   3.1662   7.1202   10.173   6.0871   15.924   7.8326   13.222   8.7705   3.7650   8.5923   3.5426 0.1781702 5.169606 
1 1 1   36    6   -5 o   13.098   2.9915   27.016   10.293   10.395   16.231   38.196   13.313   9.4427   3.9119   15.403   3.3160 -5.960036 5.128228 
1 1 1   36    6   -4 o   4.8664   2.3873 -18.4196   10.667 -27.1100   18.984 -14.4095   12.896   6.5570   3.2100   5.8673   2.8176 0.6897206 4.271194 
1 1 1   36    6   -3 o   18.829   1.8212   50.380   9.0951   60.539   15.308   44.838   11.307   19.825   2.9659   17.347   2.4990 2.478701 3.878370 
1 1 1   36    6   -2 o   27.903   1.3114  107.256   9.8288  114.399   14.836  101.669   13.122   28.325   1.9621   26.794   1.8343 1.530613 2.686018 
1 1 1   36    6   -1 o   15.926   2.0706   36.712   8.6474   25.134   13.422   44.929   11.307   12.240   3.7386   17.376   2.4942 -5.136218 4.494291 
1 1 1   36    6    0 o   24.530   1.4876   83.743   9.7550   85.556   14.653   82.299   13.073   24.240   2.2773   23.944   2.0526 0.2956161 3.065844 
1 1 1   36    6    1 o   9.2435   2.9281   13.102   8.1525   3.9925   12.184   20.487   10.970   7.8113   3.3216   11.249   3.3675 -3.438192 4.730053 
1 1 1   36    6    2 o   12.308   2.6272   23.103   8.4207   22.651   10.948   23.757   13.177   11.830   3.3135   11.924   3.7149 -0.9356499E-01 4.977909 
1 1 1   36    6    3 o   8.3677   2.9330   10.120   8.1450   4.5999   10.452   18.655   12.996   7.5261   3.1302   10.734   3.7081 -3.207955 4.852670 
1 1 1   36    6    4 o   7.3940   2.8192   6.7168   7.7735   3.8113   10.389   10.413   11.717   7.3629   3.0957   8.8677   3.4403 -1.504717 4.628045 
1 1 1   36    6    5 o   8.6411   2.9658   11.089   8.3077   5.8431   10.818   18.630   12.970   7.8194   3.2118   10.702   3.7039 -2.882916 4.902528 
1 1 1   36    6    6 o   13.383   2.3058   26.610   7.9893   29.448   10.832   23.224   11.831   13.650   3.0333   11.846   3.4853 1.803911 4.620420 
1 1 1   36    6    7 o   9.5299   2.8935   14.174   8.0567   12.418   10.725   16.448   12.205   9.1538   3.3465   10.159   3.5878 -1.005216 4.906318 
1 1 1   36    6    8 o   10.555   2.8013   17.479   8.0734   17.939   10.684   16.868   12.327   10.503   3.3546   10.234   3.6066 0.2697363 4.925548 
1 1 1   36    6    9 o   11.809   2.6387   21.557   8.1585   30.283   10.871   10.304   12.345   13.801   3.0168   8.8453   3.5014 4.955658 4.621775 
1 1 1   36    6   10 o   24.469   1.5944   84.244   10.421   91.253   13.748   74.776   15.978   25.099   2.0574   22.092   2.7525 3.007444 3.436416 
1 1 1   36    6   11 o   6.6617   2.7648   3.5006   8.1290   9.7725   11.083  -3.8037   11.960   8.5282   3.3354   6.5743   3.0097 1.953873 4.492599 
1 1 1   36    6   12 o   18.727   1.6927   49.916   8.4222   52.376   11.360   46.914   12.550   18.755   2.3035   17.365   2.7850 1.390606 3.614213 
1 1 1   36    6   13 o   8.9743   2.9615   12.715   8.2883   17.759   11.910   7.9765   11.542   10.270   3.5495   8.1864   3.3348 2.083140 4.870330 
1 1 1   36    6   14 o   24.431   1.4131   83.568   9.2331   85.245   12.313   81.415   13.956   24.280   1.9034   23.403   2.2478 0.8765221 2.945448 
1 1 1   36    6   15 o   10.939   2.7741   19.248   8.1626   26.240   11.227   11.407   11.889   12.411   3.3079   8.8079   3.4519 3.602816 4.781021 
1 1 1   36    6   16 o   5.4690   2.4791  -2.2226   7.8634   1.8764   10.921  -6.6352   11.331   6.9542   3.0500   5.9843   2.8041 0.9699225 4.143116 
1 1 1   36    6   17 o   10.869   2.9382   19.615   8.7829   29.540   11.818   7.3700   13.126   13.041   3.3548   8.1556   3.4570 4.885395 4.817178 
1 1 1   36    6   18 o   5.6689   2.6240  -4.2155   9.4513   2.3206   13.657 -10.2231   13.093   7.4884   3.3409   6.0548   2.8890 1.433646 4.416752 
1 1 1   36    6   19 o   7.1276   2.8796   6.1538   8.5247   5.8581   11.930   6.4623   12.185   7.6439   3.2695   7.7778   3.3149 -0.1338105 4.655964 
1 1 1   36    6   20 o   5.8986   2.6154   0.2490   8.2406   0.8882   12.011  -0.3194   11.327   6.9001   3.1017   6.5983   2.9846 0.3017921 4.304456 
1 1 1   36    6   21 o   5.8642   2.6632  -1.4245   9.1262   6.1018   15.046  -5.8051   11.479   7.9883   3.5384   5.9647   2.8037 2.023621 4.514551 
1 1 1   36    6   22 f   13.808   2.5834   30.994   9.2290   27.455   14.549   33.377   11.938   11.479   3.9252   13.580   3.3044 -2.100948 5.130925 
1 1 1   36    7  -15 o   11.057   4.6258   27.170   23.016   27.170   23.016   0.0000   0.0000   11.057   4.6258  ?   ?  0.000000 4.625848 
1 1 1   36    7  -14 o   13.361   5.1701   46.360   26.408   46.360   26.408   0.0000   0.0000   13.361   5.1701  ?   ?  0.000000 5.170070 
1 1 1   36    7  -13 o   10.038   3.9631   18.092   15.777   18.092   15.777   0.0000   0.0000   10.038   3.9631  ?   ?  0.000000 3.963098 
1 1 1   36    7  -12 o   30.963   2.5001  147.417   20.615  147.417   20.615   0.0000   0.0000   30.963   2.5001  ?   ?  0.000000 2.500096 
1 1 1   36    7  -11 o   26.444   2.7371  109.847   19.159  109.847   19.159   0.0000   0.0000   26.444   2.7371  ?   ?  0.000000 2.737056 
1 1 1   36    7  -10 o   6.9013   3.1367  -1.6085   12.693   21.715   15.612 -47.1000   21.803   10.854   4.0256   6.0417   3.0352 4.812777 5.041629 
1 1 1   36    7   -9 o   15.104   3.2894   38.313   12.967   32.606   16.711   46.949   20.556   12.977   4.2009   15.117   4.6284 -2.139614 6.250524 
1 1 1   36    7   -8 o   16.119   3.1809   42.758   13.282   44.890   17.117   39.532   21.058   15.593   4.0505   13.718   4.7211 1.874600 6.220617 
1 1 1   36    7   -7 o   19.773   2.6524   60.399   13.732   83.181   17.830   27.184   21.528   22.876   2.9720   11.746   4.6320 11.13018 5.503447 
1 1 1   36    7   -6 o   10.211   3.6487   17.631   12.658   13.186   15.938   25.227   20.833   9.5453   3.9070   11.519   4.5520 -1.973289 5.998761 
1 1 1   36    7   -5 o   10.553   3.5115   18.920   11.644   12.566   15.936   26.198   17.055   9.4715   3.8952   11.832   4.2344 -2.360876 5.753547 
1 1 1   36    7   -4 o   6.4596   3.0136  -6.6805   12.852   3.8160   20.069 -13.9764   16.732   8.8979   4.0036   6.7566   3.2353 2.141258 5.147420 
1 1 1   36    7   -3 o   11.326   3.5057   21.937   11.757   9.6229   16.072   36.109   17.242   9.0842   3.8365   13.851   4.2386 -4.767178 5.717036 
1 1 1   36    7   -2 o   12.768   3.2938   27.186   11.370   53.420   21.286   16.713   13.450   16.538   4.6160   10.085   3.7373 6.452642 5.939256 
1 1 1   36    7   -1 o   5.5818   2.6248  -7.5283   10.078  -9.9425   14.941  -5.5125   13.652   6.6837   3.1591   6.7927   3.1475 -0.1089826 4.459428 
1 1 1   36    7    0 o   10.028   2.8752   16.086   8.1451   3.0150   11.638   28.636   11.403   7.3950   3.1968   13.155   3.2470 -5.760111 4.556595 
1 1 1   36    7    1 o   7.4307   3.0270   5.7845   9.5099   15.881   18.861   2.3426   11.012   10.230   4.2256   7.1494   3.1001 3.080211 5.240857 
1 1 1   36    7    2 o   8.2102   3.0437   9.6739   8.9228   22.625   14.454   1.6992   11.342   11.306   3.9102   7.1251   3.1170 4.181227 5.000515 
1 1 1   36    7    3 o   5.5188   2.5057  -2.7028   8.0728  -2.0740   11.842  -3.2487   11.034   6.7261   3.0463   6.3647   2.9050 0.3614068 4.209381 
1 1 1   36    7    4 o   11.620   2.8251   21.542   8.7317   22.434   13.096   20.828   11.716   11.321   3.7219   11.037   3.5117 0.2833958 5.117058 
1 1 1   36    7    5 o   20.036   1.7872   57.564   9.5166   52.114   13.175   63.510   13.761   18.288   2.7689   20.399   2.5686 -2.110838 3.776855 
1 1 1   36    7    6 o   5.7993   2.6094  -1.7666   8.5263   1.4835   12.067  -5.0075   12.049   7.2262   3.1864   6.4112   2.9659 0.8149509 4.353111 
1 1 1   36    7    7 o   8.8755   3.0647   12.420   8.8773   3.7108   12.180   22.288   12.965   7.5592   3.2691   11.229   3.7038 -3.670075 4.940175 
1 1 1   36    7    8 o   7.1592   2.8896   5.6527   8.5757   2.6993   12.430   8.3350   11.846   7.4445   3.2597   8.2444   3.3707 -0.7999587 4.689095 
1 1 1   36    7    9 o   7.0094   3.0091   3.1299   10.172   13.206   14.391  -6.9306   14.380   9.3396   3.7526   6.7453   3.1602 2.594375 4.905955 
1 1 1   36    7   10 o   15.451   2.3539   36.333   9.4599   61.650   13.693   13.214   13.085   19.925   2.6223   9.2139   3.6182 10.71120 4.468517 
1 1 1   36    7   11 o   22.380   1.6272   71.455   9.7144   68.190   13.722   74.736   13.754   21.087   2.4696   22.220   2.3398 -1.133606 3.401950 
1 1 1   36    7   12 o   5.8580   2.6676  -2.4374   9.2367  -8.1077   13.661   2.3382   12.537   6.4076   3.0262   7.3219   3.2373 -0.9143662 4.431413 
1 1 1   36    7   13 o   7.3584   2.9939   6.4221   9.2889   4.8981   12.788   8.1239   13.514   7.6949   3.3387   8.2798   3.5085 -0.5848660 4.843244 
1 1 1   36    7   14 o   10.885   2.9197   19.863   8.7122   9.7680   12.938   28.238   11.784   8.4320   3.4928   12.592   3.4032 -4.160276 4.876649 
1 1 1   36    7   15 o   12.810   2.6488   26.478   8.8126   22.168   13.158   29.984   11.868   10.804   3.7311   12.967   3.3749 -2.162969 5.030998 
1 1 1   36    7   16 f   15.549   2.3201   37.467   9.3934   47.537   14.638   30.418   12.248   16.323   3.4470   12.908   3.4615 3.414357 4.885006 
1 1 1   36    7   17 o   5.3029   2.5366  -9.0521   10.228  -9.0790   16.500  -9.0353   13.034   6.7576   3.2295   6.0423   2.8829 0.7152705 4.329080 
1 1 1   36    7   18 o   6.8132   2.8622   4.8438   8.8692   10.876   13.787   0.5848   11.584   8.4589   3.5618   6.6915   3.0234 1.767423 4.671974 
1 1 1   36    7   19 o   9.4867   3.1693   16.312   9.4827   18.512   14.203   14.543   12.738   9.6658   3.7771   8.9602   3.5535 0.7056551 5.185967 
1 1 1   36    8  -13 o   14.187   5.1990   56.930   25.907   56.930   25.907   0.0000   0.0000   14.187   5.1990  ?   ?  0.000000 5.198957 
1 1 1   36    8  -12 o   9.3288   4.2478   12.870   23.416   12.870   23.416   0.0000   0.0000   9.3288   4.2478  ?   ?  0.000000 4.247840 
1 1 1   36    8  -11 o   29.154   2.5794  134.930   19.990  134.930   19.990   0.0000   0.0000   29.154   2.5794  ?   ?  0.000000 2.579428 
1 1 1   36    8  -10 o   6.6470   3.1777  -9.8452   16.001  -9.8452   16.001   0.0000   0.0000   6.6470   3.1777  ?   ?  0.000000 3.177718 
1 1 1   36    8   -9 o   8.7027   3.7771   9.8349   16.376   9.8349   16.376   0.0000   0.0000   8.7027   3.7771  ?   ?  0.000000 3.777064 
1 1 1   36    8   -8 o   12.861   3.7353   31.271   13.668   45.470   22.266   22.686   17.313   13.830   4.8492   10.646   4.1675 3.183797 6.394004 
1 1 1   36    8   -7 o   7.0093   3.2407  -2.7670   14.356  -3.7304   16.156   0.8493   31.300   7.2545   3.3826   9.2941   4.4435 -2.039561 5.584521 
1 1 1   36    8   -6 o   12.340   3.7025   28.439   13.250   47.937   17.349   1.1502   20.525   15.740   4.0726   8.3547   3.8671 7.385694 5.616034 
1 1 1   36    8   -5 f   23.670   2.2891   85.021   14.372   84.356   18.834   85.947   22.235   22.400   3.2233   21.525   3.9929 0.8747444 5.131601 
1 1 1   36    8   -4 o   8.1615   3.7303   1.7995   18.272   13.500   24.517 -12.8200   27.405   9.8388   4.4262   8.2960   4.0144 1.542813 5.975518 
1 1 1   36    8   -3 o   25.416   2.1677   96.616   14.656  121.814   19.553   64.302   22.142   27.887   2.6419   17.622   4.6211 10.26483 5.323052 
1 1 1   36    8   -2 o   14.036   3.4825   34.797   13.066   34.335   16.982   35.466   20.455   13.044   4.2359   12.720   4.6259 0.3238201 6.272309 
1 1 1   36    8   -1 o   14.384   3.9489   39.158   15.721   64.200   22.822   16.544   21.687   17.419   4.7479   10.049   4.3541 7.369094 6.442124 
1 1 1   36    8    0 o   7.4713   3.3978  -0.0252   14.922   1.2640   20.959  -1.3504   21.250   8.4936   3.9231   8.3156   3.8780 0.1780310 5.516297 
1 1 1   36    8    1 o   5.4976   2.6735 -15.6527   12.553 -17.3072   15.804 -12.8241   20.663   6.1826   3.0050   7.4056   3.5591 -1.223012 4.658013 
1 1 1   36    8    2 o   5.7084   2.7169  -9.3246   11.428 -11.1158   13.552  -4.9173   21.258   6.1078   2.9212   8.0359   3.7890 -1.928042 4.784341 
1 1 1   36    8    3 o   6.9202   3.0872   0.8699   11.661   3.8674   17.280  -1.6364   15.800   8.2496   3.7131   7.4478   3.4278 0.8018026 5.053447 
1 1 1   36    8    4 o   8.3059   3.1726   10.469   9.8557   11.606   14.256   9.4278   13.640   8.8991   3.6747   8.4943   3.5580 0.4047470 5.114939 
1 1 1   36    8    5 f   17.429   2.2050   45.921   10.091   50.632   15.234   42.238   13.471   17.046   3.4459   15.679   3.3031 1.367250 4.773357 
1 1 1   36    8    6 o   14.893   2.4301   34.490   9.3855   53.767   13.178   14.646   13.371   18.307   2.7662   9.3303   3.6596 8.977047 4.587411 
1 1 1   36    8    7 o   16.016   2.3852   39.694   9.9476   30.322   13.058   52.652   15.355   12.811   3.6296   17.375   3.4120 -4.564554 4.981588 
1 1 1   36    8    8 o   6.5564   2.9110   0.9653   10.242   1.7630   14.943   0.2584   14.066   7.5798   3.4284   7.2590   3.3003 0.3207216 4.758769 
1 1 1   36    8    9 o   11.944   3.0260   24.367   9.7188   22.760   12.660   26.672   15.165   10.971   3.6620   11.506   4.0038 -0.5355406 5.425924 
1 1 1   36    8   10 o   14.623   2.5287   33.982   9.5720   34.141   13.368   33.814   13.712   13.541   3.6098   13.365   3.6958 0.1756868 5.166196 
1 1 1   36    8   11 o   12.756   2.9739   27.712   10.001   34.515   14.930   22.175   13.469   13.143   3.9273   10.651   3.7682 2.492235 5.442711 
1 1 1   36    8   12 o   5.4871   2.5766  -5.5682   9.6526 -11.8053   12.228   4.7454   15.724   5.6042   2.7045   7.8956   3.5490 -2.291368 4.462029 
1 1 1   36    8   13 o   9.8454   3.2085   17.524   9.7403   19.285   13.121   15.364   14.537   9.9563   3.6910   9.2039   3.7452 0.7523813 5.258284 
1 1 1   36    8   14 o   11.571   3.1244   23.979   9.9375   27.724   13.686   19.802   14.453   11.649   3.8036   9.9112   3.8277 1.737984 5.396131 
1 1 1   36    8   15 o   21.307   1.9610   68.464   11.096   61.686   14.476   78.120   17.278   19.037   2.9246   21.116   3.1422 -2.078810 4.292640 
1 1 1   36    9  -11 o   10.298   4.6848   30.970   28.395   30.970   28.395   0.0000   0.0000   10.298   4.6848  ?   ?  0.000000 4.684803 
1 1 1   36    9  -10 o   10.138   4.0194   22.916   16.292   22.916   16.292   0.0000   0.0000   10.138   4.0194  ?   ?  0.000000 4.019367 
1 1 1   36    9   -9 o   4.7720   2.4196 -43.3382   15.832 -43.3382   15.832   0.0000   0.0000   4.7720   2.4196  ?   ?  0.000000 2.419568 
1 1 1   36    9   -8 o   11.215   4.8802   37.520   27.483   37.520   27.483   0.0000   0.0000   11.215   4.8802  ?   ?  0.000000 4.880160 
1 1 1   36    9   -7 o   6.1779   3.0042 -14.2126   15.848 -14.2126   15.848   0.0000   0.0000   6.1779   3.0042  ?   ?  0.000000 3.004225 
1 1 1   36    9   -6 o   12.287   3.6044   29.398   12.670   56.352   17.576   0.2382   18.281   16.794   3.9606   7.6759   3.5855 9.118574 5.342477 
1 1 1   36    9   -5 o   20.628   2.5243   68.144   13.694   66.058   18.045   70.978   21.029   18.662   3.7303   18.352   4.3353 0.3105526 5.719274 
1 1 1   36    9   -4 o   10.341   3.7334   21.302   13.288   32.048   17.817   7.8333   19.946   11.825   4.3147   8.5658   3.9082 3.259204 5.821563 
1 1 1   36    9   -3 o   19.177   2.7672   60.564   13.841   70.976   18.062   45.754   21.541   19.693   3.5452   13.492   4.7663 6.200408 5.940211 
1 1 1   36    9   -2 o   10.178   3.7062   20.316   13.136   25.782   16.742   11.561   21.188   10.895   4.1413   9.0313   4.0839 1.863459 5.816234 
1 1 1   36    9   -1 o   7.8421   3.3850   7.2096   13.010   4.6588   16.571   11.308   21.004   7.9549   3.6031   9.0055   4.0698 -1.050612 5.435567 
1 1 1   36    9    0 o   7.7421   3.3488   6.7042   12.786   19.617   16.923 -10.4718   19.518   9.8907   4.0345   7.1218   3.4318 2.768881 5.296661 
1 1 1   36    9    1 o   9.2276   3.8124   15.317   15.356   2.3770   23.588   24.836   20.231   8.4684   3.9924   10.523   4.3640 -2.054767 5.914734 
1 1 1   36    9    2 o   8.1229   3.5811   7.4755   15.234   27.030   23.828  -6.0444   19.813   10.633   4.5854   7.4546   3.5561 3.178342 5.802732 
1 1 1   36    9    3 o   8.3531   3.5058   10.481   13.286   17.239   16.730  -1.0581   21.861   9.5149   3.9590   8.0418   3.8071 1.473015 5.492567 
1 1 1   36    9    4 o   14.759   3.6108   41.204   14.196   33.290   18.671   52.048   21.856   11.904   4.4049   14.467   4.8107 -2.562439 6.522762 
1 1 1   36    9    5 o   14.519   3.2733   37.840   12.460   40.547   15.168   32.223   21.851   14.237   3.8666   11.298   4.5938 2.938950 6.004460 
1 1 1   36    9    6 o   11.414   3.3840   24.493   11.117   3.6080   14.698   52.410   16.994   7.5386   3.4059   16.181   3.9457 -8.642131 5.212336 
1 1 1   36    9    7 o   8.7003   3.3699   13.364   11.228   25.259   18.014   5.8060   14.359   10.544   4.2118   7.7330   3.4395 2.810865 5.437780 
1 1 1   36    9    8 o   11.600   3.2489   24.856   10.525   37.122   13.327   4.5215   17.159   13.924   3.5521   7.8813   3.6069 6.042334 5.062343 
1 1 1   36    9    9 o   6.8643   2.9740   4.3248   10.117   13.475   12.925 -10.1513   16.258   8.6893   3.5331   6.4906   3.1287 2.198642 4.719319 
1 1 1   36    9   10 o   5.0550   2.4635 -12.9407   10.819 -15.3652   14.566  -9.9571   16.158   5.7877   2.8288   6.4613   3.1158 -0.6736188 4.208345 
1 1 1   36    9   11 o   14.748   2.9465   37.980   11.263   37.837   13.817   38.264   19.446   13.735   3.6737   12.144   4.4950 1.590473 5.805330 
1 1 1   37    0  -22 o   9.6432   5.6336   20.500   24.296   20.500   24.296   20.500   24.296   9.6432   5.6336   9.6432   5.6336 0.000000 0.000000 
1 1 1   37    0  -21 o   6.3822   4.0723   3.2297   15.495   3.2297   15.495   3.2297   15.495   6.3822   4.0723   6.3822   4.0723 0.000000 0.000000 
1 1 1   37    0  -20 f   6.6064   4.1607   4.6025   15.578   4.6025   15.578   4.6025   15.578   6.6064   4.1607   6.6064   4.1607 0.000000 0.000000 
1 1 1   37    0  -19 o   4.7483   3.3226 -14.3148   15.787 -14.3148   15.787 -14.3148   15.787   4.7483   3.3226   4.7483   3.3226 0.000000 0.000000 
1 1 1   37    0  -18 o   9.4738   4.4787   18.899   12.903   18.899   12.903   18.899   12.903   9.4738   4.4787   9.4738   4.4787 0.000000 0.000000 
1 1 1   37    0  -17 o   3.4379   2.4808 -20.7816   11.667 -20.7816   11.667 -20.7816   11.667   3.4379   2.4808   3.4379   2.4808 0.000000 0.000000 
1 1 1   37    0  -16 o   5.0909   3.3816  -2.5867   12.319  -2.5867   12.319  -2.5867   12.319   5.0909   3.3816   5.0909   3.3816 0.000000 0.000000 
1 1 1   37    0  -15 o   4.3782   3.0332  -9.4802   12.299  -9.4802   12.299  -9.4802   12.299   4.3782   3.0332   4.3782   3.0332 0.000000 0.000000 
1 1 1   37    0  -14 o   4.4959   3.0791  -7.0614   11.837  -7.0614   11.837  -7.0614   11.837   4.4959   3.0791   4.4959   3.0791 0.000000 0.000000 
1 1 1   37    0  -13 o   28.761   1.8984  113.795   14.519  113.795   14.519  113.795   14.519   28.761   1.8984   28.761   1.8984 0.000000 0.000000 
1 1 1   37    0  -12 o   29.064   1.9164  116.191   14.811  116.191   14.811  116.191   14.811   29.064   1.9164   29.064   1.9164 0.000000 0.000000 
1 1 1   37    0  -11 o   7.7960   4.2724   12.273   12.831   12.273   12.831   12.273   12.831   7.7960   4.2724   7.7960   4.2724 0.000000 0.000000 
1 1 1   37    0  -10 o   7.0752   4.2515   7.8285   14.571   7.8285   14.571   7.8285   14.571   7.0752   4.2515   7.0752   4.2515 0.000000 0.000000 
1 1 1   37    0   -9 o   13.286   3.6474   29.157   11.254   29.157   11.254   29.157   11.254   13.286   3.6474   13.286   3.6474 0.000000 0.000000 
1 1 1   37    0   -8 o   4.9885   3.1247   2.1562   8.6535   2.1562   8.6535   2.1562   8.6535   4.9885   3.1247   4.9885   3.1247 0.000000 0.000000 
1 1 1   37    0   -7 o   8.9097   4.0623   16.085   10.558   16.085   10.558   16.085   10.558   8.9097   4.0623   8.9097   4.0623 0.000000 0.000000 
1 1 1   37    0   -6 f   4.7812   3.0609   0.7755   8.8431   0.7755   8.8431   0.7755   8.8431   4.7812   3.0609   4.7812   3.0609 0.000000 0.000000 
1 1 1   37    0   -5 o   27.604   1.5195  103.914   11.188  103.914   11.188  103.914   11.188   27.604   1.5195   27.604   1.5195 0.000000 0.000000 
1 1 1   37    0   -4 o   28.187   1.7218  108.760   12.924  108.760   12.924  108.760   12.924   28.187   1.7218   28.187   1.7218 0.000000 0.000000 
1 1 1   37    0   -3 o   23.843   1.6741   78.055   10.599   78.055   10.599   78.055   10.599   23.843   1.6741   23.843   1.6741 0.000000 0.000000 
1 1 1   37    0   -2 o   15.824   2.7548   37.123   10.645   37.123   10.645   37.123   10.645   15.824   2.7548   15.824   2.7548 0.000000 0.000000 
1 1 1   37    0   -1 o   8.4984   4.1146   14.882   10.956   14.882   10.956   14.882   10.956   8.4984   4.1146   8.4984   4.1146 0.000000 0.000000 
1 1 1   37    0    0 o   41.885   1.4602  237.854   16.382  237.854   16.382  237.854   16.382   41.885   1.4602   41.885   1.4602 0.000000 0.000000 
1 1 1   37    0    1 o   6.6226   3.7304   8.3125   10.105   8.3125   10.105   8.3125   10.105   6.6226   3.7304   6.6226   3.7304 0.000000 0.000000 
1 1 1   37    0    2 o   9.8978   4.0315   18.926   10.529   18.926   10.529   18.926   10.529   9.8978   4.0315   9.8978   4.0315 0.000000 0.000000 
1 1 1   37    0    3 o   14.256   3.1899   31.644   10.666   31.644   10.666   31.644   10.666   14.256   3.1899   14.256   3.1899 0.000000 0.000000 
1 1 1   37    0    4 o   25.463   1.9604   89.526   13.225   89.526   13.225   89.526   13.225   25.463   1.9604   25.463   1.9604 0.000000 0.000000 
1 1 1   37    0    5 o   4.6071   3.0401  -1.6958   9.6960  -1.6958   9.6960  -1.6958   9.6960   4.6071   3.0401   4.6071   3.0401 0.000000 0.000000 
1 1 1   37    0    6 f   8.4432   4.0126   14.609   10.371   14.609   10.371   14.609   10.371   8.4432   4.0126   8.4432   4.0126 0.000000 0.000000 
1 1 1   37    0    7 o   9.0979   4.0043   16.534   10.253   16.534   10.253   16.534   10.253   9.0979   4.0043   9.0979   4.0043 0.000000 0.000000 
1 1 1   37    0    8 o   32.467   1.5903  143.602   13.792  143.602   13.792  143.602   13.792   32.467   1.5903   32.467   1.5903 0.000000 0.000000 
1 1 1   37    0    9 o   16.287   2.8159   39.352   11.214   39.352   11.214   39.352   11.214   16.287   2.8159   16.287   2.8159 0.000000 0.000000 
1 1 1   37    0   10 o   6.7279   3.8080   8.5650   10.597   8.5650   10.597   8.5650   10.597   6.7279   3.8080   6.7279   3.8080 0.000000 0.000000 
1 1 1   37    0   11 o   24.805   1.7973   84.719   11.830   84.719   11.830   84.719   11.830   24.805   1.7973   24.805   1.7973 0.000000 0.000000 
1 1 1   37    0   12 o   39.534   1.4092  211.989   14.920  211.989   14.920  211.989   14.920   39.534   1.4092   39.534   1.4092 0.000000 0.000000 
1 1 1   37    0   13 o   17.349   3.1920   45.370   13.390   45.370   13.390   45.370   13.390   17.349   3.1920   17.349   3.1920 0.000000 0.000000 
1 1 1   37    0   14 o   5.2766   3.5019  -2.6668   13.166  -2.6668   13.166  -2.6668   13.166   5.2766   3.5019   5.2766   3.5019 0.000000 0.000000 
1 1 1   37    0   15 o   21.073   2.2577   62.651   12.408   62.651   12.408   62.651   12.408   21.073   2.2577   21.073   2.2577 0.000000 0.000000 
1 1 1   37    0   16 o   13.164   3.7892   29.266   11.619   29.266   11.619   29.266   11.619   13.164   3.7892   13.164   3.7892 0.000000 0.000000 
1 1 1   37    0   17 o   14.936   3.7786   36.343   13.108   36.343   13.108   36.343   13.108   14.936   3.7786   14.936   3.7786 0.000000 0.000000 
1 1 1   37    0   18 o   15.465   3.2246   37.041   11.808   37.041   11.808   37.041   11.808   15.465   3.2246   15.465   3.2246 0.000000 0.000000 
1 1 1   37    0   19 o   6.3706   3.7684   6.9798   11.113   6.9798   11.113   6.9798   11.113   6.3706   3.7684   6.3706   3.7684 0.000000 0.000000 
1 1 1   37    0   20 f   16.093   3.1520   39.776   12.131   39.776   12.131   39.776   12.131   16.093   3.1520   16.093   3.1520 0.000000 0.000000 
1 1 1   37    0   21 o   8.4029   4.1954   15.156   11.535   15.156   11.535   15.156   11.535   8.4029   4.1954   8.4029   4.1954 0.000000 0.000000 
1 1 1   37    0   22 o   20.156   2.8291   59.752   14.450   59.752   14.450   59.752   14.450   20.156   2.8291   20.156   2.8291 0.000000 0.000000 
1 1 1   37    0   23 o   6.3156   3.8099   6.6051   11.793   6.6051   11.793   6.6051   11.793   6.3156   3.8099   6.3156   3.8099 0.000000 0.000000 
1 1 1   37    0   24 o   17.807   3.0511   48.198   13.307   48.198   13.307   48.198   13.307   17.807   3.0511   17.807   3.0511 0.000000 0.000000 
1 1 1   37    0   25 o   6.4139   3.9338   6.5149   13.030   6.5149   13.030   6.5149   13.030   6.4139   3.9338   6.4139   3.9338 0.000000 0.000000 
1 1 1   37    0   26 o   6.1770   3.8439   5.4039   12.883   5.4039   12.883   5.4039   12.883   6.1770   3.8439   6.1770   3.8439 0.000000 0.000000 
1 1 1   37    0   27 o   7.3416   4.2000   11.709   13.074   11.709   13.074   11.709   13.074   7.3416   4.2000   7.3416   4.2000 0.000000 0.000000 
1 1 1   37    0   28 o   35.858   1.5099  176.952   14.484  176.952   14.484  176.952   14.484   35.858   1.5099   35.858   1.5099 0.000000 0.000000 
1 1 1   37    0   29 o   7.2113   4.1515   11.585   12.898   11.585   12.898   11.585   12.898   7.2113   4.1515   7.2113   4.1515 0.000000 0.000000 
1 1 1   37    0   30 o   8.9052   4.5204   19.083   13.514   19.083   13.514   19.083   13.514   8.9052   4.5204   8.9052   4.5204 0.000000 0.000000 
1 1 1   37    1  -20 o   20.277   2.8193   62.334   14.939   50.333   18.272   86.530   25.945   17.188   4.0282   22.145   4.5151 -4.957264 6.050833 
1 1 1   37    1  -19 o   23.095   2.2114   76.984   13.550   68.660   19.269   85.126   19.058   20.691   3.5980   23.563   3.0854 -2.871912 4.739767 
1 1 1   37    1  -18 o   15.997   2.9025   38.924   12.011   35.265   17.007   42.566   16.966   14.371   4.1647   15.971   3.9719 -1.599292 5.755040 
1 1 1   37    1  -17 o   20.764   2.3649   62.491   12.954   74.426   18.881   51.878   17.805   21.970   3.3018   17.888   3.8219 4.081995 5.050582 
1 1 1   37    1  -16 o   12.108   3.1178   22.697   10.201   23.587   16.337   22.128   13.059   12.094   4.1586   11.791   3.7022 0.3031664 5.567816 
1 1 1   37    1  -15 o   14.960   2.3788   32.578   9.2380   52.475   13.478   14.948   12.687   18.844   2.7434   10.164   3.6506 8.679947 4.566524 
1 1 1   37    1  -14 f   14.295   2.4682   29.902   9.1342   35.527   12.830   24.120   13.007   15.203   3.2410   12.347   3.6604 2.855229 4.889023 
1 1 1   37    1  -13 o   28.406   1.3767  110.501   10.503  115.797   14.401  104.482   15.353   28.789   1.8726   27.194   2.1187 1.595455 2.827618 
1 1 1   37    1  -12 o   19.065   1.9366   51.119   9.7792   47.081   13.546   55.514   14.133   17.789   2.9376   19.433   2.7875 -1.644159 4.049621 
1 1 1   37    1  -11 o   20.458   1.7702   58.331   9.6311   79.056   14.112   40.264   13.177   23.587   2.2551   16.344   3.1154 7.243282 3.845894 
1 1 1   37    1  -10 o   9.4337   3.0248   12.982   8.6795   4.3349   12.538   20.939   12.027   8.1883   3.4189   11.662   3.5340 -3.473807 4.917122 
1 1 1   37    1   -9 o   7.0664   2.3102   6.8749   5.0480   13.555   7.2739   0.6682   7.0112   9.5736   2.7077   5.8995   2.5144 3.674096 3.695140 
1 1 1   37    1   -8 o   26.573   1.0324   95.771   7.3687   86.652   10.663  104.106   10.195   25.059   1.5925   27.600   1.3752 -2.540367 2.104097 
1 1 1   37    1   -7 o   9.0951   2.5707   12.131   6.5586   13.528   9.4090   10.810   9.1470   9.6567   3.1538   8.8947   3.1087 0.7619858 4.428352 
1 1 1   37    1   -6 o   5.2272   2.3523  -2.7687   6.9318   2.3705   10.057  -7.4202   9.5677   7.2318   3.0434   5.6117   2.6121 1.620118 4.010659 
1 1 1   37    1   -5 o   17.396   1.7063   42.075   7.8700   41.161   11.488   42.883   10.803   16.827   2.6279   17.291   2.3900 -0.4645977 3.552152 
1 1 1   37    1   -4 o   21.342   1.6794   63.076   9.5488   66.149   12.390   58.580   14.986   21.651   2.1594   20.000   2.8721 1.650805 3.593359 
1 1 1   37    1   -3 o   12.412   2.2821   22.243   7.3280   35.721   9.7702   4.9111   11.080   15.765   2.3816   7.9748   3.2601 7.790213 4.037345 
1 1 1   37    1   -2 o   6.2916   2.5894   2.3503   7.0487   7.6806   9.6636  -3.7096   10.304   8.2243   3.1415   6.3534   2.8627 1.870942 4.250220 
1 1 1   37    1   -1 o   35.143   1.0567  167.508   9.9739  188.452   14.394  148.164   13.833   37.117   1.4438   32.858   1.5674 4.259228 2.131065 
1 1 1   37    1    0 o   15.606   1.8317   34.096   7.5317   36.164   10.413   31.827   10.907   15.799   2.5401   14.657   2.8732 1.141804 3.835061 
1 1 1   37    1    1 o   21.824   1.4014   65.331   8.1712   59.339   11.281   71.944   11.852   20.539   2.0733   22.683   1.9647 -2.144026 2.856351 
1 1 1   37    1    2 o   10.583   2.6769   16.588   7.6143   17.214   10.225   15.807   11.409   10.722   3.2605   10.406   3.4763 0.3162708 4.766079 
1 1 1   37    1    3 o   14.225   2.0638   28.718   7.6549   26.301   10.417   31.556   11.287   13.242   2.9985   14.538   2.9903 -1.295791 4.234722 
1 1 1   37    1    4 o   20.546   1.5187   58.161   8.3217   66.088   11.580   49.695   11.967   21.711   2.0085   18.605   2.4547 3.105343 3.171733 
1 1 1   37    1    5 o   24.646   1.3548   83.165   8.9336  100.469   12.919   67.308   12.367   26.906   1.7980   21.850   2.1346 5.055807 2.790907 
1 1 1   37    1    6 o   5.6478   2.4928  -1.4603   7.4033  -9.3123   10.527   6.2229   10.413   5.7397   2.6938   8.0650   3.2084 -2.325319 4.189299 
1 1 1   37    1    7 o   20.088   1.6266   55.846   8.7010   56.816   12.622   54.968   12.011   19.923   2.4076   19.633   2.3227 0.2892475 3.345331 
1 1 1   37    1    8 o   33.673   1.1013  153.998   9.9601  156.305   14.514  151.945   13.693   33.714   1.6029   33.274   1.5321 0.4397812 2.217350 
1 1 1   37    1    9 o   18.552   1.6920   47.833   8.3384   58.243   12.120   38.479   11.489   20.229   2.2699   16.183   2.7412 4.046446 3.559008 
1 1 1   37    1   10 o   8.5647   2.9001   10.233   7.9412   3.1664   11.343   17.026   11.121   7.7003   3.2360   10.654   3.4247 -2.953370 4.711716 
1 1 1   37    1   11 o   33.437   1.1200  152.001   10.058  143.539   14.617  159.612   13.862   32.199   1.6962   34.092   1.5139 -1.893242 2.273520 
1 1 1   37    1   12 o   10.647   2.9337   17.096   8.6579   16.310   12.391   17.845   12.102   10.517   3.6214   10.865   3.5782 -0.3478727 5.090978 
1 1 1   37    1   13 o   25.833   1.3489   91.549   9.3267   89.776   13.610   93.119   12.806   25.252   2.0236   25.812   1.8597 -0.5600319 2.748337 
1 1 1   37    1   14 f   17.432   2.1756   43.435   9.9648   52.146   15.242   36.931   13.169   18.545   3.1741   15.492   3.2677 3.052841 4.555506 
1 1 1   37    1   15 o   24.921   1.3786   85.422   9.1920  102.218   13.607   71.323   12.467   26.998   1.8884   22.419   2.0946 4.578756 2.820192 
1 1 1   37    1   16 o   45.982   1.0623  287.695   13.120  280.750   19.429  293.517   17.788   45.049   1.6058   46.199   1.4335 -1.150276 2.152516 
1 1 1   37    1   17 o   14.885   2.2143   32.094   8.5831   25.091   12.329   38.681   11.956   12.521   3.5195   15.992   2.8899 -3.471921 4.553965 
1 1 1   37    1   18 o   22.848   1.4739   72.357   8.9969   75.246   12.894   69.615   12.560   22.932   2.1172   22.031   2.1500 0.9017162 3.017482 
1 1 1   37    1   19 o   4.9783   2.3389  -6.9826   7.9717 -10.4278   11.288  -3.5550   11.259   5.7729   2.7338   6.5347   2.9640 -0.7617984 4.032192 
1 1 1   37    1   20 o   5.7566   2.5674  -1.6552   8.0589  -8.3069   11.397   4.9976   11.398   6.0023   2.8125   7.8250   3.2628 -1.822695 4.307652 
1 1 1   37    1   21 o   24.729   1.6506   85.912   10.900   92.641   16.317   80.488   14.649   25.034   2.4584   23.404   2.3627 1.630157 3.409642 
1 1 1   37    1   22 o   13.631   2.4695   28.053   8.7084   20.343   12.471   35.389   12.165   11.037   3.6322   14.877   3.1430 -3.840330 4.803268 
1 1 1   37    1   23 o   10.998   2.9241   19.330   8.7867   26.200   12.259   12.072   12.601   12.436   3.5144   9.1747   3.5654 3.261110 5.006256 
1 1 1   37    1   24 o   11.450   3.0571   21.405   9.5781   29.461   13.233   12.538   13.882   13.015   3.6419   9.3120   3.7044 3.703208 5.194846 
1 1 1   37    1   25 o   26.452   1.4062   97.912   9.9546   88.956   13.780  107.688   14.397   24.607   2.1052   27.216   1.9831 -2.608631 2.892159 
1 1 1   37    1   26 o   8.3804   3.0104   10.830   8.6274   17.173   11.365   2.2036   13.254   10.012   3.4670   7.4940   3.3202 2.517757 4.800399 
1 1 1   37    1   27 o   7.2402   2.9144   6.2732   8.6976   7.2306   11.080   4.7363   14.039   7.8208   3.2354   7.8979   3.4611 -0.7710648E-01 4.737763 
1 1 1   37    1   28 o   8.6904   3.1561   12.357   9.5164   14.673   12.570   9.2465   14.565   9.2849   3.5742   8.5078   3.6251 0.7771482 5.090767 
1 1 1   37    2  -19 o   9.9665   4.3842   9.0960   22.714   9.0960   22.714   0.0000   0.0000   9.9665   4.3842  ?   ?  0.000000 4.384156 
1 1 1   37    2  -18 o   12.613   4.2804   28.317   17.301   28.317   17.301   0.0000   0.0000   12.613   4.2804  ?   ?  0.000000 4.280437 
1 1 1   37    2  -17 o   20.358   2.3701   60.844   12.717   66.268   18.196   55.665   17.780   20.356   3.4513   18.376   3.7298 1.979570 5.081644 
1 1 1   37    2  -16 o   14.220   3.1351   31.767   11.652   24.453   16.142   39.724   16.837   12.040   4.1341   15.250   4.0445 -3.209578 5.783481 
1 1 1   37    2  -15 o   23.341   1.8860   77.055   11.722   83.241   18.787   73.110   15.001   23.347   3.0703   22.277   2.5532 1.070814 3.993198 
1 1 1   37    2  -14 o   14.790   2.7234   32.891   10.420   15.356   16.784   43.890   13.292   10.502   4.1054   16.936   3.0335 -6.434239 5.104585 
1 1 1   37    2  -13 o   20.572   1.8130   59.514   9.9153   81.106   14.650   41.266   13.469   23.709   2.3307   16.349   3.1817 7.360256 3.944024 
1 1 1   37    2  -12 o   25.940   1.4948   93.030   10.370   77.423   14.642  108.738   14.690   23.146   2.3896   27.757   1.9834 -4.611507 3.105537 
1 1 1   37    2  -11 o   35.306   1.2186  170.245   11.556  166.427   16.267  174.136   16.420   34.558   1.7583   35.411   1.7264 -0.8533058 2.464161 
1 1 1   37    2  -10 o   17.734   1.9655   44.507   9.2043   36.083   13.064   52.809   12.970   15.276   3.2819   18.987   2.6125 -3.710932 4.194733 
1 1 1   37    2   -9 o   4.8278   2.3148 -11.0177   8.6290 -10.5428   12.490 -11.4513   11.935   6.2105   2.9210   5.9492   2.8154 0.2613750 4.056941 
1 1 1   37    2   -8 o   12.621   1.8223   22.548   5.9983   16.302   8.5806   28.518   8.3884   10.384   2.9423   14.028   2.3066 -3.643560 3.738629 
1 1 1   37    2   -7 o   12.201   2.0724   21.387   6.5487   21.855   8.9341   20.843   9.6274   12.054   2.8112   11.691   3.0382 0.3626318 4.139229 
1 1 1   37    2   -6 o   10.114   2.4649   15.136   6.6350   11.906   9.8808   17.787   8.9540   9.2205   3.2305   10.835   2.9825 -1.614805 4.396752 
1 1 1   37    2   -5 o   26.618   1.1453   96.419   8.1882   92.752   12.286   99.350   10.983   25.810   1.7833   26.840   1.5298 -1.030405 2.349527 
1 1 1   37    2   -4 o   6.1282   2.6263   0.5736   7.7251   1.6801   10.489  -0.7381   11.420   7.2007   3.0724   7.0868   3.1132 0.1139412 4.373995 
1 1 1   37    2   -3 o   12.969   2.2077   24.250   7.4150   21.454   11.312   26.356   9.8185   11.789   3.3909   13.269   2.8406 -1.480280 4.423479 
1 1 1   37    2   -2 o   20.441   1.4779   57.612   8.0595   55.646   10.997   59.893   11.846   19.830   2.0966   20.538   2.1808 -0.7080498 3.025140 
1 1 1   37    2   -1 o   5.4833   2.4588  -2.5509   7.4981   6.5540   9.8896 -14.8608   11.499   7.9825   3.1421   5.5187   2.6529 2.463812 4.112276 
1 1 1   37    2    0 o   15.838   1.8558   35.261   7.7449   47.397   10.464   20.561   11.517   18.251   2.1777   11.553   3.4487 6.697284 4.078727 
1 1 1   37    2    1 o   11.813   2.4422   20.478   7.4929   13.560   10.507   27.638   10.688   9.7182   3.3354   13.519   3.0198 -3.800710 4.499337 
1 1 1   37    2    2 o   6.5419   2.7347   2.1042   8.0354   4.0022   10.289  -0.8628   12.865   7.5648   3.1227   7.4740   3.2931 0.9082079E-01 4.538262 
1 1 1   37    2    3 o   8.8426   3.2244   10.292   9.9473   11.485   12.159   7.8762   17.296   9.4343   3.5421   9.6471   4.0207 -0.2128248 5.358421 
1 1 1   37    2    4 o   12.220   2.6234   22.139   8.3528   31.035   10.514   6.9204   13.753   14.436   2.8128   8.8528   3.6271 5.583262 4.589920 
1 1 1   37    2    5 o   11.453   2.7678   19.669   8.4193   21.204   10.723   17.202   13.596   11.738   3.2762   10.792   3.7890 0.9460926 5.008991 
1 1 1   37    2    6 o   15.906   2.0621   35.969   8.6024   33.216   10.702   40.996   14.461   14.960   2.7653   16.289   3.4144 -1.329653 4.393764 
1 1 1   37    2    7 o   42.822   1.0253  248.969   11.792  253.280   15.599  243.220   18.013   43.020   1.3500   42.000   1.5968 1.019398 2.091000 
1 1 1   37    2    8 o   20.732   1.5589   59.518   8.6172   67.734   12.045   50.904   12.334   21.878   2.0745   18.716   2.5174 3.162495 3.261999 
1 1 1   37    2    9 o   27.214   1.3761  101.746   10.026  106.833   13.903   96.235   14.472   27.620   1.8854   26.091   2.0825 1.529259 2.809219 
1 1 1   37    2   10 o   28.620   1.2154  111.812   9.3427  117.206   12.976  106.007   13.463   29.052   1.6699   27.533   1.8309 1.518728 2.478118 
1 1 1   37    2   11 o   10.511   2.7395   16.686   7.8130   11.373   10.758   22.616   11.365   9.1443   3.3503   12.006   3.3808 -2.861756 4.759674 
1 1 1   37    2   12 o   22.476   1.7010   70.511   10.192   52.297   13.580   94.007   15.424   18.750   2.7807   25.612   2.2655 -6.861202 3.586758 
1 1 1   37    2   13 o   30.118   1.1494  123.786   9.2980  128.126   12.979  119.212   13.326   30.380   1.5962   29.235   1.7045 1.145350 2.335231 
1 1 1   37    2   14 o   5.2355   2.4039  -4.3899   7.7073  -1.9836   10.755  -6.9297   11.050   6.6265   2.9600   6.0909   2.8256 0.5356693 4.092122 
1 1 1   37    2   15 o   14.059   2.4013   29.191   8.7417   22.161   12.378   36.186   12.347   11.701   3.5931   15.254   3.1189 -3.552614 4.757962 
1 1 1   37    2   16 o   23.284   1.4461   75.200   8.9993   81.545   12.452   68.263   13.021   23.943   1.9533   21.685   2.2691 2.258345 2.994029 
1 1 1   37    2   17 o   5.8528   2.6111  -1.6546   8.3414   4.6604   10.962 -10.3397   12.856   7.6651   3.1983   6.2280   2.9396 1.437099 4.344041 
1 1 1   37    2   18 o   8.1306   3.0053   9.0359   8.6866   19.273   11.430  -4.9621   13.365   10.874   3.4694   6.8879   3.1637 3.985982 4.695306 
1 1 1   37    2   19 o   4.8018   2.3011 -10.0420   8.5016  -6.0909   11.301 -15.1940   12.904   6.1679   2.8600   5.7795   2.7863 0.3884149 3.992914 
1 1 1   37    2   20 o   5.5088   2.5750  -6.5754   9.4556 -13.6268   13.327   0.5729   13.418   5.9995   2.8766   7.4872   3.3278 -1.487685 4.398735 
1 1 1   37    2   21 o   14.958   2.2822   33.424   8.8784   33.754   11.783   32.991   13.504   14.422   3.1316   13.864   3.5959 0.5578766 4.768361 
1 1 1   37    2   22 o   22.383   1.5410   70.662   9.2081   60.210   12.262   84.177   13.943   20.063   2.3182   23.868   2.1997 -3.804893 3.195770 
1 1 1   37    2   23 o   9.1359   3.0663   13.484   8.8770   24.186   12.090   0.9641   13.076   11.730   3.5406   7.3269   3.2689 4.403298 4.818909 
1 1 1   37    2   24 o   22.666   1.5164   72.736   9.1783   59.765   12.142   90.027   14.019   19.872   2.3185   24.620   2.1414 -4.747389 3.156083 
1 1 1   37    2   25 o   7.6805   2.9701   8.2806   8.7110  -1.9226   11.725   20.851   13.014   6.5695   2.9970   10.647   3.7088 -4.077748 4.768316 
1 1 1   37    2   26 o   22.838   1.5310   74.389   9.3370   86.491   12.497   59.098   14.048   24.218   1.9374   19.085   2.8259 5.133724 3.426255 
1 1 1   37    2   27 o   5.1245   2.4270  -6.9042   8.9021   10.017   11.903 -28.3816   13.410   8.2569   3.3777   4.8920   2.4465 3.364832 4.170576 
1 1 1   37    3  -17 o   16.293   5.1016   55.440   24.816   55.440   24.816   0.0000   0.0000   16.293   5.1016  ?   ?  0.000000 5.101552 
1 1 1   37    3  -16 o   28.020   2.5919  117.993   19.286  117.993   19.286   0.0000   0.0000   28.020   2.5919  ?   ?  0.000000 2.591923 
1 1 1   37    3  -15 o   9.2786   3.7479   11.037   14.438   9.5975   16.989   14.780   27.395   9.3792   3.9518   10.972   4.8209 -1.593154 6.233647 
1 1 1   37    3  -14 o   30.506   1.7236  131.053   14.065  115.295   19.677  147.514   20.111   27.725   2.6756   31.724   2.3776 -3.998602 3.579299 
1 1 1   37    3  -13 o   12.109   3.2564   23.580   10.821   19.698   16.976   26.237   14.044   11.073   4.1795   12.460   3.8275 -1.386728 5.667237 
1 1 1   37    3  -12 o   16.641   2.5087   41.154   10.864   52.771   17.264   33.536   13.980   17.949   3.7039   14.259   3.6384 3.689703 5.191968 
1 1 1   37    3  -11 o   10.134   3.2952   15.978   10.276   15.283   16.359   16.432   13.206   10.366   4.0529   10.348   3.7238 0.1751137E-01 5.503833 
1 1 1   37    3  -10 o   11.323   3.1561   20.161   9.9578   44.581   16.800   6.9344   12.364   16.403   3.8748   8.4161   3.4425 7.986976 5.183187 
1 1 1   37    3   -9 o   11.709   2.9754   21.237   9.3770   26.770   13.466   16.028   13.065   12.795   3.7053   10.312   3.7045 2.482761 5.239535 
1 1 1   37    3   -8 o   10.986   2.9978   18.659   9.0920   23.266   12.965   14.201   12.754   12.001   3.6760   9.9200   3.6459 2.081362 5.177351 
1 1 1   37    3   -7 o   19.849   1.8551   55.561   9.7751   62.723   14.028   48.801   13.629   20.659   2.5847   17.981   2.9223 2.677549 3.901314 
1 1 1   37    3   -6 o   19.386   1.3763   51.867   7.1196   60.691   10.160   43.351   9.9799   20.766   1.8406   17.359   2.1892 3.407452 2.860134 
1 1 1   37    3   -5 f   5.8491   2.4818   1.0593   6.7759   1.4808   10.113   0.7159   9.1275   7.0000   3.0026   6.5757   2.8369 0.4242525 4.130762 
1 1 1   37    3   -4 o   13.221   2.3443   25.587   8.0199   33.164   10.781   16.199   12.001   14.855   2.8048   10.361   3.5641 4.493995 4.535389 
1 1 1   37    3   -3 o   22.659   1.2705   70.454   7.7008   59.864   10.789   81.452   10.995   20.568   1.9773   24.167   1.7048 -3.599403 2.610778 
1 1 1   37    3   -2 o   30.193   1.2063  124.486   9.7826  139.968   15.881  115.018   12.419   31.594   1.8799   28.794   1.6122 2.800409 2.476550 
1 1 1   37    3   -1 o   23.680   1.3434   77.105   8.5092   65.606   13.050   85.610   11.223   21.353   2.3124   24.788   1.6959 -3.435614 2.867618 
1 1 1   37    3    0 f   16.472   1.7566   38.107   7.6518   48.934   10.856   27.417   10.787   18.454   2.2358   13.356   3.0712 5.098011 3.798789 
1 1 1   37    3    1 o   6.5194   2.6313   3.4799   7.1107   5.8530   9.9516   1.0045   10.164   7.7889   3.1237   6.9464   2.9952 0.8424206 4.327659 
1 1 1   37    3    2 o   7.5202   2.7484   7.1968   7.2334  -3.5322   10.343   17.469   10.120   6.3182   2.8555   10.650   3.2449 -4.332275 4.322467 
1 1 1   37    3    3 o   4.4574   2.1446 -10.2823   7.5539 -17.6914   9.8897   0.0938   11.704   4.7050   2.3062   7.2314   3.1648 -2.526405 3.915914 
1 1 1   37    3    4 o   6.6698   2.7111   3.5117   7.6074   11.099   10.255  -5.7718   11.344   8.9998   3.2751   6.3453   2.9145 2.654449 4.384135 
1 1 1   37    3    5 f   13.611   2.4214   27.240   8.5274   32.112   11.181   20.468   13.183   14.516   2.9679   11.381   3.7340 3.134994 4.769799 
1 1 1   37    3    6 o   11.563   3.0195   20.640   9.4798   21.265   12.919   19.912   13.954   11.557   3.6886   11.252   3.8441 0.3055172 5.327563 
1 1 1   37    3    7 o   7.2312   2.8324   5.5188   8.0012  -8.3483   10.648   23.506   12.127   5.8132   2.7221   12.129   3.5173 -6.315598 4.447637 
1 1 1   37    3    8 o   17.706   1.8997   44.438   8.8931   47.891   11.489   39.278   14.046   18.104   2.4237   15.761   3.4166 2.343033 4.188987 
1 1 1   37    3    9 o   35.244   1.2490  170.169   11.824  161.889   16.158  179.712   17.347   33.994   1.7759   35.792   1.8103 -1.797886 2.535905 
1 1 1   37    3   10 o   8.2350   2.9740   9.2741   8.4328   10.843   10.977   7.0150   13.173   8.9602   3.3652   8.5789   3.5364 0.3813152 4.881625 
1 1 1   37    3   11 o   8.7928   3.2476   10.672   10.140   10.345   12.459   11.313   17.449   9.0361   3.5358   9.8617   4.0682 -0.8255978 5.390040 
1 1 1   37    3   12 o   12.180   2.7202   22.711   8.6744   21.908   11.106   23.969   13.892   11.660   3.3615   11.990   3.8248 -0.3304186 5.092036 
1 1 1   37    3   13 o   8.8085   3.0231   11.511   8.6313   15.583   10.948   4.8238   14.030   9.9909   3.4050   8.3169   3.5511 1.674028 4.919826 
1 1 1   37    3   14 o   12.806   2.6377   25.045   8.7703   29.654   11.182   17.677   14.138   13.660   3.1165   10.530   3.8434 3.130027 4.948147 
1 1 1   37    3   15 o   19.194   1.9492   52.928   9.9094   48.157   12.733   60.256   15.780   17.746   2.7611   19.588   3.1028 -1.841448 4.153468 
1 1 1   37    3   16 o   10.584   2.9955   17.903   8.8988   18.887   11.362   16.341   14.313   10.697   3.4640   10.169   3.8377 0.5286121 5.169827 
1 1 1   37    3   17 o   6.6291   2.8715   1.4332   9.4275  -3.6719   11.260   13.405   17.243   6.4050   2.9277   9.8275   4.0479 -3.422496 4.995684 
1 1 1   37    3   18 o   6.5395   2.7982   2.1205   8.7453  -5.4788   11.137   14.344   14.124   6.1321   2.8419   9.6652   3.7695 -3.533117 4.720773 
1 1 1   37    3   19 o   13.216   2.6720   27.350   9.1586   30.036   11.564   22.828   15.001   13.427   3.2430   11.246   3.9770 2.180958 5.131628 
1 1 1   37    3   20 o   18.911   2.0308   52.525   10.154   51.803   12.020   54.323   18.974   18.395   2.4973   17.041   4.1776 1.354156 4.867142 
1 1 1   37    3   21 o   11.993   2.7955   23.250   8.8388   26.739   11.387   17.962   14.020   12.444   3.3378   10.125   3.8030 2.319828 5.060037 
1 1 1   37    3   22 o   8.6654   2.9678   12.132   8.3176   11.296   11.086   13.209   12.581   8.6031   3.3439   9.0845   3.5536 -0.4813948 4.879519 
1 1 1   37    3   23 o   21.522   1.6709   66.727   9.5831   71.823   12.317   58.913   15.254   21.893   2.1214   18.730   3.1434 3.162113 3.792234 
1 1 1   37    3   24 o   16.388   2.0238   40.259   8.7190   43.870   11.417   35.206   13.506   16.530   2.6618   13.789   3.6059 2.741627 4.481925 
1 1 1   37    3   25 o   23.495   1.4885   78.871   9.3443   71.767   12.166   89.092   14.593   21.769   2.1070   24.031   2.2885 -2.262123 3.110731 
1 1 1   37    4  -16 o   8.3632   3.9847  -9.7630   24.721  -9.7630   24.721   0.0000   0.0000   8.3632   3.9847  ?   ?  0.000000 3.984683 
1 1 1   37    4  -15 o   13.958   4.1591   36.574   16.762   36.574   16.762   0.0000   0.0000   13.958   4.1591  ?   ?  0.000000 4.159072 
1 1 1   37    4  -14 o   22.921   2.9913   82.950   17.976   82.950   17.976   0.0000   0.0000   22.921   2.9913  ?   ?  0.000000 2.991269 
1 1 1   37    4  -13 o   13.191   4.2338   32.356   17.002   32.356   17.002   0.0000   0.0000   13.191   4.2338  ?   ?  0.000000 4.233822 
1 1 1   37    4  -12 o   16.837   2.8450   44.075   12.407   36.353   16.825   53.279   18.369   14.137   4.1555   17.427   4.0081 -3.289767 5.773451 
1 1 1   37    4  -11 o   29.075   1.5346  118.285   11.942  121.747   19.377  116.164   15.165   28.514   2.5572   28.420   1.9993 0.9354210E-01 3.246035 
1 1 1   37    4  -10 o   12.790   3.0177   25.996   10.199  -5.8960   16.336   46.369   13.057   7.4618   3.4524   17.284   2.9163 -9.822359 4.519287 
1 1 1   37    4   -9 o   10.400   3.2988   17.375   10.345   54.158   16.760  -5.2609   13.148   18.178   3.5601   6.7900   3.1258 11.38816 4.737601 
1 1 1   37    4   -8 o   21.668   1.8858   66.904   10.865   69.908   17.157   64.893   14.040   21.174   3.1093   20.850   2.5609 0.3242836 4.028173 
1 1 1   37    4   -7 o   10.015   3.2278   15.779   9.8738   17.189   15.434   14.802   12.847   10.529   3.9825   9.8978   3.6555 0.6311913 5.405826 
1 1 1   37    4   -6 o   6.4318   2.8614  -1.2509   9.9429   22.380   15.637 -17.2917   12.883   11.561   4.0631   5.6508   2.7388 5.909739 4.899984 
1 1 1   37    4   -5 o   18.955   2.0026   51.505   10.041   44.982   14.914   56.912   13.580   16.734   3.4333   19.487   2.6643 -2.752777 4.345804 
1 1 1   37    4   -4 o   25.092   1.3518   86.984   9.0768   87.750   11.476   85.704   14.833   24.988   1.7204   24.277   2.3023 0.7110157 2.874093 
1 1 1   37    4   -3 o   16.699   1.7536   39.439   7.7480   46.756   11.703   33.728   10.338   17.750   2.5260   14.949   2.6729 2.800747 3.677647 
1 1 1   37    4   -2 o   19.042   1.6887   50.979   8.5470   54.305   13.055   48.484   11.307   19.092   2.6146   18.183   2.3716 0.9089470 3.530008 
1 1 1   37    4   -1 o   23.120   1.3487   73.831   8.3387   82.763   12.109   65.774   11.500   24.175   1.8796   21.451   2.0198 2.723961 2.759058 
1 1 1   37    4    0 o   13.232   2.3678   25.930   8.1062   21.163   12.419   29.468   10.700   11.414   3.6138   13.783   2.9771 -2.369059 4.682231 
1 1 1   37    4    1 o   12.133   2.6045   22.289   8.2336   15.479   12.640   27.309   10.852   10.098   3.6419   13.176   3.1155 -3.077413 4.792650 
1 1 1   37    4    2 o   7.0723   2.8789   4.3785   8.5937   11.784   15.266   0.9427   10.398   9.6471   3.8688   6.9238   3.0073 2.723300 4.900209 
1 1 1   37    4    3 o   12.862   2.4498   24.707   8.1542   10.181   11.762   38.147   11.314   8.8873   3.4472   15.866   2.7549 -6.979026 4.412793 
1 1 1   37    4    4 o   5.5738   2.4836  -1.6162   7.5230  -2.1716   10.370  -0.9992   10.930   6.4404   2.8895   6.7699   3.0065 -0.3294864 4.169874 
1 1 1   37    4    5 o   24.848   1.3445   85.311   8.9396   75.447   12.632   95.209   12.653   22.924   2.0740   25.952   1.8269 -3.028303 2.763873 
1 1 1   37    4    6 o   14.885   2.3975   32.856   9.2593   18.429   13.049   47.486   13.140   10.712   3.7147   17.615   2.8767 -6.903582 4.698347 
1 1 1   37    4    7 o   7.7952   2.8890   8.0517   8.0374   20.587   10.742  -7.8917   12.114   11.287   3.3211   6.2481   2.9186 5.038676 4.421333 
1 1 1   37    4    8 o   17.055   1.9025   41.646   8.5667   43.774   11.290   38.756   13.153   17.102   2.5346   15.578   3.2487 1.523849 4.120451 
1 1 1   37    4    9 o   25.740   1.3632   91.810   9.3911   97.493   12.462   84.342   14.286   26.247   1.7783   24.052   2.2370 2.194969 2.857709 
1 1 1   37    4   10 o   10.049   2.9643   15.956   8.5481   35.135   12.537  -0.7085   11.686   14.756   3.2509   6.9492   3.0960 7.806987 4.489276 
1 1 1   37    4   11 o   9.4051   2.9801   13.870   8.4442   31.432   10.812 -13.5937   13.521   14.123   2.9455   6.0709   2.9073 8.052575 4.138686 
1 1 1   37    4   12 o   8.1727   2.9554   9.6080   8.3319   2.8166   11.195   18.041   12.475   7.3096   3.1477   10.445   3.6315 -3.135081 4.805773 
1 1 1   37    4   13 o   13.617   2.4353   28.113   8.5799   28.688   11.821   27.472   12.473   13.126   3.3436   12.700   3.5296 0.4262199 4.861882 
1 1 1   37    4   14 o   14.711   2.3535   32.592   8.9860   43.757   12.036   18.533   13.507   16.762   2.7702   10.459   3.7656 6.303212 4.674830 
1 1 1   37    4   15 o   19.171   1.8456   52.990   9.3855   63.347   12.954   41.544   13.617   20.516   2.3960   15.815   3.3119 4.700839 4.087676 
1 1 1   37    4   16 o   20.367   1.6823   59.217   9.1205   67.886   12.063   47.647   13.936   21.453   2.1213   17.060   3.1577 4.393139 3.804035 
1 1 1   37    4   17 o   7.3592   2.9488   6.4513   8.8603  -1.0821   11.142   19.413   14.614   6.6002   2.9751   10.444   3.8907 -3.843957 4.897823 
1 1 1   37    4   18 o   12.171   2.6413   23.568   8.3865   19.991   11.287   27.977   12.531   10.661   3.4526   12.506   3.5598 -1.845000 4.959120 
1 1 1   37    4   19 o   10.870   3.0018   19.888   9.0531   11.044   11.072   37.731   15.726   8.5346   3.3350   14.020   3.9868 -5.485766 5.197758 
1 1 1   37    4   20 o   6.0717   2.6653   0.8957   8.3562   1.8033   11.091  -0.2959   12.708   6.8831   3.0440   6.9465   3.1500 -0.6335020E-01 4.380455 
1 1 1   37    4   21 o   6.1351   2.6706   1.6166   8.2355  -0.7126   11.024   4.5577   12.388   6.4824   2.9373   7.4765   3.2644 -0.9941325 4.391365 
1 1 1   37    4   22 o   6.1764   2.7230   1.1707   8.8088  -4.2040   11.228   9.7739   14.206   6.0751   2.8284   8.3958   3.5788 -2.320767 4.561515 
1 1 1   37    5  -14 o   11.800   4.9035   31.340   25.616   31.340   25.616   0.0000   0.0000   11.800   4.9035  ?   ?  0.000000 4.903528 
1 1 1   37    5  -13 o   9.7376   3.9150   15.544   15.675   15.544   15.675   0.0000   0.0000   9.7376   3.9150  ?   ?  0.000000 3.914981 
1 1 1   37    5  -12 o   8.7005   3.8017   7.1408   16.829   7.1408   16.829   0.0000   0.0000   8.7005   3.8017  ?   ?  0.000000 3.801687 
1 1 1   37    5  -11 o   7.5624   3.4373  -0.8075   15.244  -0.8075   15.244   0.0000   0.0000   7.5624   3.4373  ?   ?  0.000000 3.437279 
1 1 1   37    5  -10 o   21.658   2.5256   71.481   14.416   67.910   17.162   80.040   26.571   20.367   3.2462   19.699   5.0102 0.6682396 5.969900 
1 1 1   37    5   -9 o   5.8089   2.7695 -10.9042   11.984 -17.6235   15.028   0.8335   19.862   6.0877   2.9523   8.5590   3.9031 -2.471318 4.893874 
1 1 1   37    5   -8 o   29.221   1.7202  121.374   13.442  137.339   19.526  106.993   18.532   30.294   2.4199   26.467   2.6423 3.827652 3.582971 
1 1 1   37    5   -7 o   10.173   3.4852   17.140   11.471   16.130   15.850   18.251   16.622   10.098   3.9768   10.490   4.0898 -0.3926620 5.704513 
1 1 1   37    5   -6 o   10.888   3.2343   19.560   10.148   23.715   16.118   16.831   13.062   11.511   4.1168   10.138   3.6952 1.372495 5.531953 
1 1 1   37    5   -5 o   27.241   1.6436  104.748   11.969  100.328   19.261  107.529   15.278   25.451   2.8676   27.183   2.1090 -1.732367 3.559646 
1 1 1   37    5   -4 f   32.616   1.4427  148.068   12.638  171.938   20.886  134.279   15.875   34.195   2.2872   30.578   1.9429 3.617308 3.001087 
1 1 1   37    5   -3 o   7.5667   3.1130   5.5692   10.183   7.3865   16.176   4.3764   13.105   8.8818   3.8032   7.9476   3.4137 0.9342160 5.110557 
1 1 1   37    5   -2 o   15.232   2.6988   35.711   10.637   24.112   16.545   43.884   13.888   11.652   4.1706   16.470   3.2548 -4.818010 5.290312 
1 1 1   37    5   -1 o   29.727   1.3061  122.138   10.429  131.028   16.343  116.032   13.545   30.137   2.0309   28.589   1.7726 1.547056 2.695728 
1 1 1   37    5    0 o   14.577   2.3743   31.839   8.9760   37.673   13.646   27.389   11.917   15.076   3.4452   12.826   3.4030 2.250087 4.842502 
1 1 1   37    5    1 o   7.2628   2.8087   6.3925   7.7909   2.0024   11.101   10.654   10.937   7.1661   3.1100   8.7294   3.3403 -1.563253 4.563918 
1 1 1   37    5    2 o   9.0114   2.9972   12.583   8.4834   11.917   11.573   13.356   12.472   9.0614   3.4434   9.4383   3.5776 -0.3768415 4.965491 
1 1 1   37    5    3 o   7.1149   2.8841   5.0465   8.5824  -7.6452   13.415   13.841   11.167   6.5584   3.0661   9.4473   3.4207 -2.888896 4.593688 
1 1 1   37    5    4 f   4.2510   2.0810 -13.6131   7.9766  -8.2512   11.724 -18.2338   10.884   6.0306   2.8343   4.9156   2.4114 1.114998 3.721334 
1 1 1   37    5    5 o   8.3353   3.0372   10.085   8.8238   11.422   13.385   9.0581   11.734   9.1222   3.6348   8.4810   3.3952 0.6412201 4.973908 
1 1 1   37    5    6 o   6.7885   2.7240   4.7317   7.5726   3.1130   10.223   6.6993   11.272   7.1072   3.0329   7.9566   3.2745 -0.8493729 4.463284 
1 1 1   37    5    7 o   5.4563   2.4635  -2.2342   7.6746   4.5235   10.424 -10.2347   11.342   7.3867   3.1030   5.7023   2.7119 1.684440 4.121006 
1 1 1   37    5    8 o   11.766   2.5902   21.537   7.9638   27.524   10.922   14.739   11.638   12.933   3.1689   9.5946   3.4893 3.338531 4.713471 
1 1 1   37    5    9 o   11.806   2.6693   21.910   8.2658   20.749   11.034   23.396   12.478   11.057   3.3919   11.583   3.6161 -0.5256376 4.957927 
1 1 1   37    5   10 o   10.561   2.9775   18.218   8.8100   27.743   11.119   2.1495   14.441   12.893   3.2203   7.7821   3.4559 5.110986 4.723690 
1 1 1   37    5   11 o   6.3109   2.6869   2.2509   7.9907   2.4929   10.581   1.9296   12.191   7.0115   3.0395   7.2821   3.2073 -0.2706628 4.418794 
1 1 1   37    5   12 o   12.989   2.5073   26.201   8.4302   26.186   11.436   26.219   12.476   12.335   3.3605   12.160   3.5795 0.1749668 4.909741 
1 1 1   37    5   13 o   11.261   2.8671   20.737   8.6948   25.432   12.070   15.671   12.536   11.976   3.5193   9.6500   3.6017 2.326432 5.035690 
1 1 1   37    5   14 o   19.616   1.6486   55.140   8.6057   72.651   11.764   34.979   12.623   22.224   1.9918   14.236   3.3560 7.988691 3.902547 
1 1 1   37    5   15 o   10.206   2.9636   17.467   8.6042   25.556   12.076   9.1267   12.262   11.891   3.5274   8.2880   3.4136 3.602724 4.908691 
1 1 1   37    5   16 o   5.4326   2.4927  -3.0615   8.2688  -6.1208   11.454   0.2678   11.949   6.0003   2.8141   6.8619   3.0882 -0.8615618 4.178044 
1 1 1   37    5   17 o   7.7409   2.9484   8.9146   8.4968   16.107   12.159   2.0503   11.878   9.5206   3.5484   7.0470   3.1316 2.473550 4.732686 
1 1 1   37    5   18 o   7.1517   3.0294   5.1799   10.070   1.7979   13.652   9.2154   14.913   7.2963   3.2907   8.4184   3.6290 -1.122078 4.898831 
1 1 1   37    5   19 o   6.7947   2.8584   4.6577   8.8659   4.7527   11.957   4.5418   13.214   7.3543   3.2092   7.5182   3.3238 -0.1639123 4.620251 
1 1 1   37    5   20 o   5.9540   2.7032  -1.0003   9.3949 -14.3002   13.881   10.242   12.762   5.7797   2.8108   8.2415   3.4459 -2.461803 4.446915 
1 1 1   37    6  -13 o   7.5796   3.6922 -15.6100   24.223 -15.6100   24.223   0.0000   0.0000   7.5796   3.6922  ?   ?  0.000000 3.692207 
1 1 1   37    6  -12 o   7.7229   3.7476 -14.0400   24.317 -14.0400   24.317   0.0000   0.0000   7.7229   3.7476  ?   ?  0.000000 3.747620 
1 1 1   37    6  -11 o   6.8011   3.2028  -6.4253   15.103  -6.4253   15.103   0.0000   0.0000   6.8011   3.2028  ?   ?  0.000000 3.202792 
1 1 1   37    6  -10 o   16.731   4.0148   53.261   17.812   53.261   17.812   0.0000   0.0000   16.731   4.0148  ?   ?  0.000000 4.014829 
1 1 1   37    6   -9 o   7.3722   3.4190  -2.9483   16.160  -2.9483   16.160   0.0000   0.0000   7.3722   3.4190  ?   ?  0.000000 3.419030 
1 1 1   37    6   -8 o   20.603   2.6327   66.556   14.236   83.661   18.422   41.200   22.429   22.488   3.1352   13.402   4.8486 9.086169 5.773942 
1 1 1   37    6   -7 o   8.0271   3.3779   7.2040   12.387   3.0192   16.271   12.973   19.104   8.0529   3.6157   9.5291   4.1076 -1.476230 5.472286 
1 1 1   37    6   -6 o   9.9196   3.6542   17.054   12.823   17.261   16.515   16.740   20.348   10.020   4.0220   10.094   4.2925 -0.7498074E-01 5.882342 
1 1 1   37    6   -5 o   24.298   2.2645   88.589   14.609   94.341   19.103   80.485   22.673   24.162   3.0087   20.716   4.2181 3.445757 5.181189 
1 1 1   37    6   -4 o   13.737   3.5631   33.292   13.258   26.485   16.932   44.077   21.314   11.664   4.2138   14.310   4.7503 -2.645910 6.349900 
1 1 1   37    6   -3 o   8.9545   3.6097   11.645   13.364   1.0846   16.999   28.734   21.624   8.0234   3.6402   11.791   4.6446 -3.767508 5.901135 
1 1 1   37    6   -2 o   8.0197   3.3315   7.3012   11.820   2.1045   16.179   13.249   17.309   8.0091   3.6000   9.5402   4.0026 -1.531037 5.383420 
1 1 1   37    6   -1 o   7.2077   3.1431   2.6715   11.452   6.5466   16.040  -1.3575   16.355   8.5219   3.7179   7.6774   3.5165 0.8445044 5.117451 
1 1 1   37    6    0 f   6.5968   3.1403 -10.8787   15.282 -12.6400   25.026  -9.8316   19.297   8.1782   3.9267   7.4779   3.5508 0.7002730 5.294062 
1 1 1   37    6    1 o   16.263   2.8391   42.135   11.950   44.020   22.346   41.379   14.143   14.180   4.8643   15.505   3.4813 -1.324858 5.981754 
1 1 1   37    6    2 o   5.9738   2.6637  -0.7097   8.6692   20.458   13.312 -16.2986   11.424   10.702   3.7496   5.1637   2.5198 5.538044 4.517643 
1 1 1   37    6    3 o   8.0889   2.9428   9.8156   8.2789   11.674   12.253   8.2547   11.230   8.8613   3.4945   8.0972   3.2929 0.7641039 4.801512 
1 1 1   37    6    4 o   13.875   2.5084   29.887   9.0042   38.892   13.998   23.531   11.760   14.915   3.5461   11.554   3.4931 3.360593 4.977606 
1 1 1   37    6    5 o   6.8988   2.9098   3.8829   9.2264  -3.4148   14.578   8.7598   11.917   7.0946   3.2751   8.2613   3.3796 -1.166746 4.706113 
1 1 1   37    6    6 o   14.900   2.3833   34.041   9.2165   31.472   15.543   35.434   11.446   12.789   4.0421   14.696   3.0013 -1.907052 5.034513 
1 1 1   37    6    7 o   11.653   2.9471   22.496   9.2303   39.582   15.607   13.305   11.447   14.559   3.9089   9.0743   3.4303 5.484352 5.200631 
1 1 1   37    6    8 o   13.645   2.6200   29.492   9.2530   25.022   15.217   32.115   11.655   11.386   4.0077   13.729   3.2170 -2.343127 5.139141 
1 1 1   37    6    9 o   7.8699   3.1320   8.4424   9.9266   21.406   15.288  -1.0078   13.052   10.630   3.9754   6.9732   3.1737 3.656378 5.086918 
1 1 1   37    6   10 o   5.1203   2.4069  -6.0159   8.4618 -13.0104   12.565  -0.2117   11.446   5.6773   2.7402   6.6994   3.0181 -1.022114 4.076468 
1 1 1   37    6   11 o   6.4389   2.7798   2.3923   8.7763   5.8864   12.846  -0.6661   12.018   7.7882   3.3627   6.7474   3.0611 1.040877 4.547336 
1 1 1   37    6   12 o   8.8594   3.1828   13.198   9.6446   21.007   14.817   7.4575   12.705   10.415   3.9101   7.9714   3.3908 2.443928 5.175563 
1 1 1   37    6   13 o   17.784   2.0351   47.476   9.5459   55.308   13.693   40.069   13.315   18.319   2.8777   14.999   3.3855 3.320120 4.443275 
1 1 1   37    6   14 o   13.426   2.7703   29.814   9.6583   44.545   14.008   16.463   13.335   15.757   3.4088   9.4743   3.6717 6.282956 5.010103 
1 1 1   37    6   15 o   8.5940   3.2292   12.568   10.110   9.2738   15.448   15.035   13.371   8.3822   3.6530   9.1483   3.6368 -0.7661209 5.154665 
1 1 1   37    6   16 o   14.297   2.4789   32.824   9.1743   40.595   14.377   27.487   11.916   14.505   3.6834   12.017   3.4870 2.488379 5.072150 
1 1 1   37    6   17 o   12.253   3.1639   27.150   10.485   20.889   17.213   30.843   13.220   9.8883   4.0553   12.417   3.6923 -2.528817 5.484387 
1 1 1   37    7  -11 o   15.232   5.3372   67.840   26.971   67.840   26.971   0.0000   0.0000   15.232   5.3372  ?   ?  0.000000 5.337245 
1 1 1   37    7  -10 o   8.0404   3.8483  -3.1660   23.613  -3.1660   23.613   0.0000   0.0000   8.0404   3.8483  ?   ?  0.000000 3.848259 
1 1 1   37    7   -9 o   10.576   4.0815   23.862   16.425   23.862   16.425   0.0000   0.0000   10.576   4.0815  ?   ?  0.000000 4.081548 
1 1 1   37    7   -8 o   7.1095   3.3137  -2.4151   15.481  -2.4151   15.481   0.0000   0.0000   7.1095   3.3137  ?   ?  0.000000 3.313703 
1 1 1   37    7   -7 o   11.770   4.7369   34.940   22.973   34.940   22.973   0.0000   0.0000   11.770   4.7369  ?   ?  0.000000 4.736878 
1 1 1   37    7   -6 o   14.100   4.2822   42.344   17.645   42.344   17.645   0.0000   0.0000   14.100   4.2822  ?   ?  0.000000 4.282184 
1 1 1   37    7   -5 o   4.9786   2.4591 -19.9558   11.975   0.4095   15.995 -45.9305   18.064   7.5261   3.4583   5.2295   2.6439 2.296541 4.353182 
1 1 1   37    7   -4 o   20.257   3.3192   71.359   17.434   33.800   27.522   96.532   22.531   11.450   4.9330   22.816   3.8110 -11.36587 6.233647 
1 1 1   37    7   -3 o   7.1754   3.2774  -0.1053   14.077 -17.0946   16.291   49.950   27.964   6.2060   3.0241   13.272   5.2646 -7.065710 6.071362 
1 1 1   37    7   -2 o   6.5953   3.0317  -2.1773   12.307  -4.6390   15.582   1.9051   20.066   7.0087   3.2855   8.2461   3.8192 -1.237369 5.037921 
1 1 1   37    7   -1 o   7.5226   3.3141   4.1333   13.024 -18.9177   16.969   37.183   20.319   6.2412   3.0511   12.674   4.6103 -6.432920 5.528449 
1 1 1   37    7    0 o   11.601   3.8121   26.243   13.739   31.550   17.959   18.755   21.332   12.046   4.3417   10.018   4.3293 2.028790 6.131306 
1 1 1   37    7    1 o   9.4153   3.6429   15.683   13.111   1.3138   17.266   35.251   20.149   7.8427   3.5999   12.375   4.5766 -4.532287 5.822723 
1 1 1   37    7    2 o   7.5437   3.3012   4.6523   12.731   6.7090   16.525   1.6485   19.971   8.3143   3.6943   8.2130   3.8061 0.1013346 5.304143 
1 1 1   37    7    3 o   23.329   2.9508   90.029   18.076   90.910   27.090   89.323   24.269   19.943   5.0517   20.896   4.4599 -0.9530277 6.738712 
1 1 1   37    7    4 o   22.801   2.4464   81.213   14.748   93.995   18.629   59.755   24.137   23.773   2.9833   15.565   5.0498 8.208005 5.865176 
1 1 1   37    7    5 o   5.6465   2.6346  -4.8082   9.8276 -15.4654   12.430   12.964   16.051   5.4020   2.6344   9.0267   3.8243 -3.624716 4.643847 
1 1 1   37    7    6 o   5.8671   2.6910  -2.4845   9.6239   8.6709   12.786 -17.0638   14.617   8.1019   3.4218   5.8182   2.8416 2.283711 4.447882 
1 1 1   37    7    7 o   5.2548   2.4931  -7.2507   9.4751 -11.4316   12.634  -1.8757   14.325   5.7424   2.7656   6.9795   3.2306 -1.237075 4.252625 
1 1 1   37    7    8 o   10.493   3.5584   21.039   11.956   26.613   19.760   17.820   15.016   10.830   4.3809   9.6543   3.8490 1.175315 5.831565 
1 1 1   37    7    9 o   20.933   2.0319   66.136   11.280   82.117   16.360   51.652   15.575   22.320   2.7898   16.681   3.5831 5.639395 4.541123 
1 1 1   37    7   10 o   20.437   2.0801   63.547   11.259   95.171   16.784   37.672   15.182   24.251   2.6183   13.564   3.9360 10.68667 4.727340 
1 1 1   37    7   11 o   14.607   3.0781   37.351   11.695   42.777   19.125   34.110   14.781   13.388   4.5007   12.795   3.9259 0.5925255 5.972387 
1 1 1   37    7   12 o   6.4062   2.8826   0.8291   10.406   11.088   14.674  -9.5501   14.759   8.4182   3.6140   6.2674   3.0110 2.150714 4.703908 
1 1 1   37    7   13 o   5.9562   2.7498  -2.2293   10.281 -16.2168   13.538   16.822   15.800   5.5106   2.7005   9.2192   3.8427 -3.708650 4.696712 
1 1 1   37    8   -7 o   8.3408   3.7674   9.9909   17.970   9.9909   17.970   0.0000   0.0000   8.3408   3.7674  ?   ?  0.000000 3.767354 
1 1 1   37    8   -6 o   6.0869   2.9780 -15.5576   16.262 -15.5576   16.262   0.0000   0.0000   6.0869   2.9780  ?   ?  0.000000 2.977990 
1 1 1   37    8   -5 o   10.875   4.1974   28.287   17.372   28.287   17.372   0.0000   0.0000   10.875   4.1974  ?   ?  0.000000 4.197388 
1 1 1   37    8   -4 o   8.8057   3.6043   14.351   13.564   27.939   17.942  -3.7710   20.720   10.780   4.2357   7.5302   3.6043 3.249894 5.561659 
1 1 1   37    8   -3 o   6.5367   3.0172  -1.1268   12.367  -3.9347   16.565   2.4088   18.589   6.9902   3.3106   7.7758   3.6266 -0.7856426 4.910417 
1 1 1   37    8   -2 o   5.6002   2.7092 -11.4694   12.462 -17.6423   16.315  -2.8225   19.309   6.0104   2.9493   7.4564   3.5439 -1.446051 4.610554 
1 1 1   37    8   -1 o   5.8249   2.7917  -8.8994   12.520  -0.5711   16.442 -20.3931   19.315   7.2711   3.3977   6.3927   3.1510 0.8783846 4.633956 
1 1 1   37    8    0 o   9.5207   3.6944   18.153   13.514   18.850   18.014   17.255   20.440   9.5118   4.0416   9.3296   4.1288 0.1821918 5.777687 
1 1 1   37    8    1 o   12.675   3.7283   32.607   13.540   43.298   18.796   21.077   19.520   13.390   4.4617   9.7667   4.1799 3.623778 6.113773 
1 1 1   37    8    2 o   7.5308   3.3019   6.2394   12.791   5.7473   17.479   6.8068   18.769   7.9797   3.6476   8.1958   3.7587 -0.2160931 5.237672 
1 1 1   37    8    3 o   8.3143   3.4574   11.470   12.748   4.0028   17.405   20.114   18.726   7.7932   3.5909   9.6364   4.1082 -1.843148 5.456351 
1 1 1   37    8    4 o   11.993   3.8762   30.736   14.232   59.739   19.341  -3.5114   21.017   16.412   4.3263   7.5802   3.6287 8.832237 5.646600 
1 1 1   37    8    5 o   7.8451   3.5355   6.4966   15.724  -2.8590   25.058   12.574   20.196   7.9811   3.8564   8.7732   3.9754 -0.7921052 5.538531 
1 1 1   37    8    6 o   5.5262   2.7391 -22.2492   15.334 -24.1200   26.626 -21.3208   18.757   7.1332   3.5481   6.2082   3.0685 0.9249916 4.690891 
1 1 1   37    8    7 o   11.132   3.8312   26.962   13.868   11.572   19.185   43.802   20.069   8.5641   3.8782   12.871   4.5947 -4.306564 6.012637 
1 1 1   38    0  -18 o   23.083   2.9646   78.154   17.549   78.154   17.549   78.154   17.549   23.083   2.9646   23.083   2.9646 0.000000 0.000000 
1 1 1   38    0  -17 o   22.771   3.0792   76.407   17.863   76.407   17.863   76.407   17.863   22.771   3.0792   22.771   3.0792 0.000000 0.000000 
1 1 1   38    0  -16 o   10.543   5.1674   24.675   17.367   24.675   17.367   24.675   17.367   10.543   5.1674   10.543   5.1674 0.000000 0.000000 
1 1 1   38    0  -15 o   9.1412   4.8847   18.314   16.368   18.314   16.368   18.314   16.368   9.1412   4.8847   9.1412   4.8847 0.000000 0.000000 
1 1 1   38    0  -14 o   6.9036   4.1205   8.1487   13.501   8.1487   13.501   8.1487   13.501   6.9036   4.1205   6.9036   4.1205 0.000000 0.000000 
1 1 1   38    0  -13 o   7.3171   4.1451   10.591   12.571   10.591   12.571   10.591   12.571   7.3171   4.1451   7.3171   4.1451 0.000000 0.000000 
1 1 1   38    0  -12 o   25.470   2.0620   90.248   13.893   90.248   13.893   90.248   13.893   25.470   2.0620   25.470   2.0620 0.000000 0.000000 
1 1 1   38    0  -11 o   5.9140   3.7353   2.9452   12.657   2.9452   12.657   2.9452   12.657   5.9140   3.7353   5.9140   3.7353 0.000000 0.000000 
1 1 1   38    0  -10 o   12.514   4.3217   28.573   13.087   28.573   13.087   28.573   13.087   12.514   4.3217   12.514   4.3217 0.000000 0.000000 
1 1 1   38    0   -9 o   30.837   1.9303  130.885   15.844  130.885   15.844  130.885   15.844   30.837   1.9303   30.837   1.9303 0.000000 0.000000 
1 1 1   38    0   -8 o   2.7658   1.9963 -13.8276   7.5806 -13.8276   7.5806 -13.8276   7.5806   2.7658   1.9963   2.7658   1.9963 0.000000 0.000000 
1 1 1   38    0   -7 f   13.302   3.1928   28.120   9.8938   28.120   9.8938   28.120   9.8938   13.302   3.1928   13.302   3.1928 0.000000 0.000000 
1 1 1   38    0   -6 f   30.921   1.3999  130.037   11.572  130.037   11.572  130.037   11.572   30.921   1.3999   30.921   1.3999 0.000000 0.000000 
1 1 1   38    0   -5 o   7.0718   3.8086   10.146   10.025   10.146   10.025   10.146   10.025   7.0718   3.8086   7.0718   3.8086 0.000000 0.000000 
1 1 1   38    0   -4 o   10.654   4.4936   22.598   12.975   22.598   12.975   22.598   12.975   10.654   4.4936   10.654   4.4936 0.000000 0.000000 
1 1 1   38    0   -3 o   4.6987   3.1313  -2.8152   10.712  -2.8152   10.712  -2.8152   10.712   4.6987   3.1313   4.6987   3.1313 0.000000 0.000000 
1 1 1   38    0   -2 o   10.420   4.2575   21.201   11.732   21.201   11.732   21.201   11.732   10.420   4.2575   10.420   4.2575 0.000000 0.000000 
1 1 1   38    0   -1 o   33.796   1.8045  156.298   16.274  156.298   16.274  156.298   16.274   33.796   1.8045   33.796   1.8045 0.000000 0.000000 
1 1 1   38    0    0 o   18.837   2.6293   51.315   12.561   51.315   12.561   51.315   12.561   18.837   2.6293   18.837   2.6293 0.000000 0.000000 
1 1 1   38    0    1 o   5.1755   3.2989   1.3825   10.135   1.3825   10.135   1.3825   10.135   5.1755   3.2989   5.1755   3.2989 0.000000 0.000000 
1 1 1   38    0    2 o   5.3407   3.3736   2.1114   10.327   2.1114   10.327   2.1114   10.327   5.3407   3.3736   5.3407   3.3736 0.000000 0.000000 
1 1 1   38    0    3 o   16.937   3.1200   43.219   12.774   43.219   12.774   43.219   12.774   16.937   3.1200   16.937   3.1200 0.000000 0.000000 
1 1 1   38    0    4 o   4.5859   3.0492  -2.4206   10.056  -2.4206   10.056  -2.4206   10.056   4.5859   3.0492   4.5859   3.0492 0.000000 0.000000 
1 1 1   38    0    5 o   8.7424   4.0299   15.631   10.402   15.631   10.402   15.631   10.402   8.7424   4.0299   8.7424   4.0299 0.000000 0.000000 
1 1 1   38    0    6 f   29.428   1.7117  118.620   13.425  118.620   13.425  118.620   13.425   29.428   1.7117   29.428   1.7117 0.000000 0.000000 
1 1 1   38    0    7 f   11.291   4.1888   23.861   11.799   23.861   11.799   23.861   11.799   11.291   4.1888   11.291   4.1888 0.000000 0.000000 
1 1 1   38    0    8 o   6.8430   3.8830   8.9631   11.056   8.9631   11.056   8.9631   11.056   6.8430   3.8830   6.8430   3.8830 0.000000 0.000000 
1 1 1   38    0    9 o   9.4558   4.2973   18.368   11.810   18.368   11.810   18.368   11.810   9.4558   4.2973   9.4558   4.2973 0.000000 0.000000 
1 1 1   38    0   10 o   8.3402   4.2018   14.647   11.625   14.647   11.625   14.647   11.625   8.3402   4.2018   8.3402   4.2018 0.000000 0.000000 
1 1 1   38    0   11 o   5.9412   3.6887   4.0609   11.796   4.0609   11.796   4.0609   11.796   5.9412   3.6887   5.9412   3.6887 0.000000 0.000000 
1 1 1   38    0   12 o   15.735   4.7812   43.576   17.640   43.576   17.640   43.576   17.640   15.735   4.7812   15.735   4.7812 0.000000 0.000000 
1 1 1   38    0   13 o   6.9388   3.9710   9.2598   11.693   9.2598   11.693   9.2598   11.693   6.9388   3.9710   6.9388   3.9710 0.000000 0.000000 
1 1 1   38    0   14 o   11.654   4.1031   25.042   11.657   25.042   11.657   25.042   11.657   11.654   4.1031   11.654   4.1031 0.000000 0.000000 
1 1 1   38    0   15 o   6.9998   4.0581   9.2983   12.460   9.2983   12.460   9.2983   12.460   6.9998   4.0581   6.9998   4.0581 0.000000 0.000000 
1 1 1   38    0   16 o   18.943   2.5126   52.007   12.156   52.007   12.156   52.007   12.156   18.943   2.5126   18.943   2.5126 0.000000 0.000000 
1 1 1   38    0   17 o   34.686   1.5619  164.562   14.484  164.562   14.484  164.562   14.484   34.686   1.5619   34.686   1.5619 0.000000 0.000000 
1 1 1   38    0   18 o   6.8171   3.9661   8.9158   11.965   8.9158   11.965   8.9158   11.965   6.8171   3.9661   6.8171   3.9661 0.000000 0.000000 
1 1 1   38    0   19 o   4.4536   3.0625  -7.1856   11.980  -7.1856   11.980  -7.1856   11.980   4.4536   3.0625   4.4536   3.0625 0.000000 0.000000 
1 1 1   38    0   20 o   8.9426   4.3704   17.572   12.408   17.572   12.408   17.572   12.408   8.9426   4.3704   8.9426   4.3704 0.000000 0.000000 
1 1 1   38    0   21 o   7.2332   4.1253   10.948   12.562   10.948   12.562   10.948   12.562   7.2332   4.1253   7.2332   4.1253 0.000000 0.000000 
1 1 1   38    0   22 o   45.214   1.4955  279.785   18.117  279.785   18.117  279.785   18.117   45.214   1.4955   45.214   1.4955 0.000000 0.000000 
1 1 1   38    0   23 o   4.0494   2.8433 -11.0448   11.854 -11.0448   11.854 -11.0448   11.854   4.0494   2.8433   4.0494   2.8433 0.000000 0.000000 
1 1 1   38    0   24 o   8.2330   4.2959   15.567   12.423   15.567   12.423   15.567   12.423   8.2330   4.2959   8.2330   4.2959 0.000000 0.000000 
1 1 1   38    0   25 o   5.5201   3.5035   3.3146   11.285   3.3146   11.285   3.3146   11.285   5.5201   3.5035   5.5201   3.5035 0.000000 0.000000 
1 1 1   38    0   26 o   12.540   4.2895   30.390   12.975   30.390   12.975   30.390   12.975   12.540   4.2895   12.540   4.2895 0.000000 0.000000 
1 1 1   38    0   27 o   5.7557   3.7056   3.3006   13.187   3.3006   13.187   3.3006   13.187   5.7557   3.7056   5.7557   3.7056 0.000000 0.000000 
1 1 1   38    1  -17 o   22.225   4.7791   93.430   27.681   93.430   27.681   0.0000   0.0000   22.225   4.7791  ?   ?  0.000000 4.779053 
1 1 1   38    1  -16 o   17.547   3.1808   48.997   14.439   45.930   17.353   55.900   26.030   16.220   4.0067   16.396   5.2362 -0.1756363 6.593284 
1 1 1   38    1  -15 o   21.983   2.1885   70.283   12.750   70.180   18.696   70.374   17.432   20.857   3.4586   21.168   3.1629 -0.3115082 4.686778 
1 1 1   38    1  -14 o   30.441   1.7798  130.737   14.489  131.962   20.365  129.482   20.618   29.829   2.5669   29.476   2.6320 0.3532639 3.676480 
1 1 1   38    1  -13 o   23.019   2.1620   76.471   13.210   67.956   19.056   84.348   18.330   20.522   3.5878   23.498   2.9706 -2.976505 4.657951 
1 1 1   38    1  -12 o   22.155   1.8646   69.501   10.992   98.562   17.508   50.591   14.123   25.855   2.5546   18.155   3.0010 7.699860 3.941063 
1 1 1   38    1  -11 o   17.590   2.1498   44.634   9.9454   29.091   14.701   57.750   13.505   13.192   3.8862   19.733   2.6122 -6.541142 4.682534 
1 1 1   38    1  -10 o   23.290   1.5950   75.556   9.9176   73.724   14.191   77.305   13.866   22.520   2.3823   23.153   2.2584 -0.6324253 3.282670 
1 1 1   38    1   -9 o   21.507   1.7497   64.881   10.020   60.316   14.227   69.374   14.114   20.165   2.6941   21.814   2.4514 -1.649141 3.642472 
1 1 1   38    1   -8 o   31.097   1.3199  132.641   11.024  133.880   15.437  131.352   15.749   30.869   1.8707   30.532   1.9304 0.3371696 2.688068 
1 1 1   38    1   -7 o   25.885   1.5043   92.712   10.414   91.714   14.697   93.717   14.757   25.342   2.1805   25.630   2.1639 -0.2882347 3.071965 
1 1 1   38    1   -6 o   7.5064   2.6020   7.6658   6.4019   8.1793   9.1290   7.1690   8.9800   8.1256   3.0654   7.8569   3.0219 0.2687659 4.304441 
1 1 1   38    1   -5 o   4.6575   2.1547  -4.5419   6.3600 -10.1420   9.0943   0.8186   8.8977   5.0848   2.4211   6.5288   2.8088 -1.444028 3.708250 
1 1 1   38    1   -4 o   28.382   1.2570  110.144   9.5827  118.595   13.795  102.264   13.321   29.149   1.7704   27.015   1.8470 2.133726 2.558448 
1 1 1   38    1   -3 o   19.809   1.4422   54.207   7.6204   48.602   11.256   58.950   10.354   18.342   2.3379   20.455   1.9066 -2.112358 3.016752 
1 1 1   38    1   -2 f   21.303   1.4533   62.672   8.2663   46.787   12.210   76.112   11.231   17.837   2.6274   23.317   1.8075 -5.480566 3.189127 
1 1 1   38    1   -1 o   13.666   2.2087   27.011   7.8309   24.484   11.657   29.090   10.571   12.489   3.3888   13.850   2.9331 -1.360441 4.481808 
1 1 1   38    1    0 o   6.7703   2.7703   3.3695   8.0098   4.2016   11.835   2.6663   10.880   7.9280   3.3169   7.4323   3.1487 0.4957662 4.573432 
1 1 1   38    1    1 o   9.9299   2.9463   14.893   8.4249   15.468   12.129   14.358   11.711   10.231   3.5795   9.9429   3.5141 0.2879810 5.016176 
1 1 1   38    1    2 f   11.894   2.7571   21.337   8.6361   22.079   12.624   20.684   11.840   11.818   3.6286   11.488   3.5119 0.3293600 5.049753 
1 1 1   38    1    3 o   5.9152   2.6973  -4.4233   9.4848   12.666   15.120 -15.5110   12.179   9.9696   3.8968   5.6532   2.7208 4.316364 4.752662 
1 1 1   38    1    4 o   7.7657   2.7964   7.9167   7.4490  -9.0554   10.309   26.461   10.776   5.6396   2.6528   13.099   3.1093 -7.459868 4.087178 
1 1 1   38    1    5 o   13.663   2.3099   27.212   8.1747   26.687   10.625   27.975   12.796   13.172   3.0614   13.258   3.5305 -0.8580017E-01 4.673017 
1 1 1   38    1    6 o   12.792   2.6348   24.472   8.7514   19.651   11.277   31.771   13.876   11.204   3.4277   14.060   3.6444 -2.855913 5.003092 
1 1 1   38    1    7 o   16.908   1.9410   40.574   8.6552   31.941   11.351   52.563   13.377   14.440   3.0236   18.821   2.7257 -4.380627 4.070797 
1 1 1   38    1    8 o   17.897   1.8599   45.254   8.8099   47.210   11.582   42.569   13.572   17.963   2.4654   16.627   3.1545 1.336658 4.003664 
1 1 1   38    1    9 o   29.963   1.3354  123.272   10.747  117.354   14.140  131.366   16.537   28.908   1.8305   30.437   2.0346 -1.528875 2.736859 
1 1 1   38    1   10 o   7.5274   2.9381   6.2775   8.5865   2.7973   10.930   11.888   13.878   7.4042   3.1472   9.5649   3.7348 -2.160656 4.883982 
1 1 1   38    1   11 o   6.6327   2.8643   0.9296   9.3239  -8.3881   12.495   12.638   14.006   6.3553   2.9671   9.6899   3.7608 -3.334544 4.790351 
1 1 1   38    1   12 o   6.9064   2.9829   1.2917   10.114   12.439   13.084 -15.2597   15.943   9.5148   3.6504   6.6623   3.1814 2.852430 4.842170 
1 1 1   38    1   13 o   10.991   2.9227   18.858   8.7771   15.461   11.120   24.472   14.295   9.9877   3.4311   12.071   3.8831 -2.082822 5.181797 
1 1 1   38    1   14 o   5.8843   2.6398  -2.0958   8.6535  -0.0832   11.106  -5.2062   13.806   6.9258   3.0553   6.9921   3.2130 -0.6622601E-01 4.433714 
1 1 1   38    1   15 o   10.466   3.1815   17.516   9.7363   12.031   12.864   24.871   14.896   9.3019   3.6059   12.016   3.9704 -2.714584 5.363447 
1 1 1   38    1   16 o   13.027   2.6827   26.148   9.0740   36.180   11.888   12.142   14.046   15.135   3.0300   9.4043   3.7309 5.731029 4.806296 
1 1 1   38    1   17 o   8.0142   3.0129   8.7448   8.8032   15.386   11.330  -1.3717   13.984   9.8198   3.4580   7.3774   3.3286 2.442388 4.799721 
1 1 1   38    1   18 o   16.576   2.1227   40.373   9.2335   43.839   11.878   35.079   14.679   16.848   2.7171   14.154   3.7869 2.694373 4.660860 
1 1 1   38    1   19 f   5.5265   2.5406  -3.9954   8.6453  -3.8485   11.108  -4.2211   13.768   6.3028   2.8910   6.9358   3.1950 -0.6330004 4.308803 
1 1 1   38    1   20 o   8.2632   3.2289   9.4022   10.379   9.2647   12.900   9.6545   17.475   8.5569   3.5101   9.1522   3.9369 -0.5953207 5.274504 
1 1 1   38    1   21 o   10.530   2.9312   18.226   8.5950   10.106   11.738   27.612   12.620   8.5120   3.4000   12.469   3.5801 -3.956949 4.937302 
1 1 1   38    1   22 f   10.586   2.8952   18.512   8.4694   23.626   11.396   12.203   12.658   11.571   3.4252   8.9296   3.5421 2.641603 4.927299 
1 1 1   38    1   23 o   19.573   1.7934   55.718   9.3235   52.406   12.942   59.291   13.443   18.103   2.7482   19.367   2.6540 -1.264460 3.820489 
1 1 1   38    1   24 o   8.7175   2.9757   12.605   8.3615   8.7214   11.385   17.152   12.320   8.0308   3.2964   9.7516   3.5834 -1.720811 4.868953 
1 1 1   38    1   25 o   5.3182   2.4535  -3.3313   8.1632  -4.4221   12.058  -2.4084   11.092   6.2636   2.9211   6.2590   2.8775 0.4623890E-02 4.100371 
1 1 1   38    2  -15 o   7.0462   3.4461 -25.7100   21.721 -25.7100   21.721   0.0000   0.0000   7.0462   3.4461  ?   ?  0.000000 3.446131 
1 1 1   38    2  -14 o   34.487   2.3297  175.801   21.453  175.801   21.453   0.0000   0.0000   34.487   2.3297  ?   ?  0.000000 2.329731 
1 1 1   38    2  -13 o   10.390   3.8551   17.633   14.320   20.376   16.840   10.470   27.212   10.960   4.1565   10.424   4.6784 0.5363750 6.258116 
1 1 1   38    2  -12 o   19.778   2.4206   58.228   12.591   66.415   17.557   49.560   18.066   20.314   3.3335   16.806   4.0500 3.508148 5.245483 
1 1 1   38    2  -11 o   7.4433   3.1003   4.5607   10.275   10.724   16.737   0.8328   13.017   9.5084   3.9584   7.4849   3.3045 2.023529 5.156407 
1 1 1   38    2  -10 o   9.2104   3.2534   12.781   10.036   19.510   15.285   7.6800   13.307   10.915   3.9943   8.5892   3.5488 2.326079 5.343050 
1 1 1   38    2   -9 o   22.489   1.8291   71.750   10.953   70.916   17.893   72.249   13.851   21.226   3.2412   22.185   2.3609 -0.9589462 4.009909 
1 1 1   38    2   -8 o   13.162   2.8438   26.786   9.7602   29.260   14.004   24.448   13.610   13.183   3.7671   12.077   3.7775 1.105703 5.334820 
1 1 1   38    2   -7 f   15.999   2.2422   37.405   9.3706   36.639   13.633   38.092   12.902   15.053   3.4462   15.539   3.1978 -0.4861593 4.701293 
1 1 1   38    2   -6 o   20.552   1.8494   59.864   10.100   59.171   14.479   60.520   14.095   19.793   2.8018   20.115   2.6751 -0.3221989 3.873813 
1 1 1   38    2   -5 o   9.7800   3.1159   14.749   9.2217   5.5862   13.529   22.702   12.604   8.3850   3.5294   11.786   3.6268 -3.400771 5.060630 
1 1 1   38    2   -4 o   26.476   1.2207   96.059   8.6807   85.341   11.254  111.803   13.640   24.669   1.7090   28.177   1.8119 -3.508633 2.490752 
1 1 1   38    2   -3 o   25.456   1.1627   88.618   7.9495   86.431   11.315   90.748   11.170   24.833   1.7069   25.488   1.6404 -0.6553497 2.367369 
1 1 1   38    2   -2 o   34.928   1.0277  166.156   9.6414  164.915   14.294  167.193   13.060   34.496   1.5427   34.831   1.3959 -0.3352737 2.080523 
1 1 1   38    2   -1 o   8.2639   2.8450   9.7415   7.6471   4.7678   11.334   13.897   10.360   7.8221   3.2570   9.6189   3.3114 -1.796830 4.644757 
1 1 1   38    2    0 o   21.523   1.4795   64.298   8.5006   49.325   12.654   76.611   11.476   18.183   2.6706   23.296   1.8492 -5.113264 3.248366 
1 1 1   38    2    1 o   9.7420   2.8503   14.522   7.9324   13.409   11.870   15.420   10.663   9.6218   3.5202   10.019   3.3606 -0.3973188 4.866765 
1 1 1   38    2    2 o   6.9012   2.7461   4.6546   7.6306  -6.9366   10.656   16.853   10.932   5.9474   2.7644   10.387   3.3998 -4.439515 4.381866 
1 1 1   38    2    3 o   14.235   2.2846   29.694   8.4396   30.275   12.941   29.264   11.133   13.671   3.5071   13.680   3.1014 -0.9109497E-02 4.681694 
1 1 1   38    2    4 o   5.7059   2.5480  -1.8650   7.9643   0.1559   12.307  -3.3212   10.447   7.3193   3.2232   6.3223   2.8625 0.9969697 4.310782 
1 1 1   38    2    5 o   22.737   1.4886   71.836   9.0407   72.349   13.743   71.445   12.004   22.293   2.3296   22.365   2.0201 -0.7195473E-01 3.083447 
1 1 1   38    2    6 o   6.0406   2.6858  -1.4248   8.7484   7.0781   13.396  -7.7476   11.552   8.5852   3.5550   6.1209   2.8561 2.464306 4.560180 
1 1 1   38    2    7 f   5.2281   2.4015  -4.2499   7.7041  -6.3991   10.582  -1.8257   11.238   5.9617   2.7655   6.7366   3.0162 -0.7749124 4.092121 
1 1 1   38    2    8 o   9.7545   2.8879   14.745   8.1009   9.0846   10.831   21.930   12.204   8.4932   3.3042   11.556   3.5709 -3.062473 4.865055 
1 1 1   38    2    9 o   6.9579   2.8774   3.7839   8.7592   14.475   12.321  -7.1399   12.455   9.7852   3.5855   6.4209   2.9859 3.364213 4.665944 
1 1 1   38    2   10 o   12.664   2.5876   24.424   8.5039   8.2637   11.221   46.229   13.034   8.3508   3.3279   17.302   2.9080 -8.951080 4.419374 
1 1 1   38    2   11 o   9.5028   3.2352   14.048   9.8831   8.6101   13.068   21.315   15.106   8.6817   3.5438   11.229   3.9887 -2.547045 5.335598 
1 1 1   38    2   12 o   14.403   2.3543   30.982   8.7934   35.134   11.773   25.743   13.225   14.883   3.0476   12.269   3.7030 2.614302 4.795863 
1 1 1   38    2   13 o   18.215   1.9420   47.872   9.3545   50.475   12.048   43.920   14.844   18.299   2.5180   16.253   3.5036 2.046391 4.314526 
1 1 1   38    2   14 o   18.418   2.0144   49.303   9.8023   48.648   12.597   50.310   15.606   17.762   2.7279   17.418   3.4578 0.3436260 4.404247 
1 1 1   38    2   15 o   12.925   2.9191   26.736   9.8944   21.258   12.138   37.587   17.083   11.125   3.5780   14.197   4.1912 -3.071566 5.510708 
1 1 1   38    2   16 o   5.3822   2.4974  -5.0038   8.6394   2.7592   11.201 -16.4047   13.574   7.2214   3.1290   5.7944   2.8091 1.427007 4.204922 
1 1 1   38    2   17 o   10.777   2.9706   19.057   8.8751   10.932   11.254   32.423   14.434   8.6644   3.3687   13.362   3.8265 -4.697978 5.098092 
1 1 1   38    2   18 o   6.6047   2.7956   3.1151   8.5653  -4.8087   10.975   15.458   13.698   6.0895   2.8218   9.6597   3.7275 -3.570237 4.675171 
1 1 1   38    2   19 o   22.987   1.8457   76.751   11.300   76.808   14.372   76.657   18.286   22.402   2.4274   21.358   3.2935 1.043358 4.091384 
1 1 1   38    2   20 o   11.436   2.7854   21.422   8.4762   38.689   11.410   0.1584   12.662   15.423   2.8596   7.0239   3.1684 8.399164 4.268034 
1 1 1   38    2   21 o   7.6328   2.9300   8.4358   8.4322  -0.2152   11.211   19.707   12.796   6.6174   2.9835   10.304   3.6699 -3.686416 4.729608 
1 1 1   38    2   22 o   18.344   1.9455   50.049   9.4394   39.962   12.486   63.501   14.420   15.240   3.1543   19.736   2.7987 -4.495653 4.216958 
1 1 1   38    2   23 o   11.120   2.7372   20.671   8.1203   9.5568   10.910   34.474   12.159   8.0256   3.2523   13.862   3.3111 -5.836195 4.641212 
1 1 1   38    3  -14 o   8.9365   4.1303   2.0670   23.288   2.0670   23.288   0.0000   0.0000   8.9365   4.1303  ?   ?  0.000000 4.130289 
1 1 1   38    3  -13 o   18.828   3.4804   60.171   16.952   60.171   16.952   0.0000   0.0000   18.828   3.4804  ?   ?  0.000000 3.480392 
1 1 1   38    3  -12 o   11.456   4.1089   24.354   16.067   24.354   16.067   0.0000   0.0000   11.456   4.1089  ?   ?  0.000000 4.108872 
1 1 1   38    3  -11 o   13.640   4.2908   35.677   17.532   35.677   17.532   0.0000   0.0000   13.640   4.2908  ?   ?  0.000000 4.290782 
1 1 1   38    3  -10 o   19.352   2.9663   59.234   14.926   48.851   17.335   89.010   29.354   16.570   3.9506   20.563   5.2858 -3.992643 6.599009 
1 1 1   38    3   -9 o   31.987   1.5353  143.317   13.191  153.318   20.557  136.318   17.198   32.078   2.4034   30.591   2.1059 1.486864 3.195491 
1 1 1   38    3   -8 o   6.2585   2.8005  -1.3278   9.6732 -14.7640   15.723   6.8547   12.270   6.5065   3.1210   8.1659   3.3935 -1.659423 4.610493 
1 1 1   38    3   -7 o   15.230   2.6605   35.631   10.487   33.398   16.357   37.189   13.666   13.552   4.1245   14.927   3.4738 -1.374613 5.392511 
1 1 1   38    3   -6 o   8.7523   3.2292   11.191   10.020   15.013   15.333   8.3427   13.237   9.9700   3.9163   8.6053   3.5459 1.364766 5.283014 
1 1 1   38    3   -5 o   14.474   2.8550   32.712   10.705   41.292   17.345   27.434   13.604   15.167   4.1414   12.617   3.7441 2.549507 5.582955 
1 1 1   38    3   -4 o   20.406   2.0176   60.146   10.913   71.449   17.545   53.012   13.938   21.243   3.1722   18.487   2.9026 2.755831 4.299791 
1 1 1   38    3   -3 o   7.6710   3.0833   6.3987   9.7193   14.220   14.686   0.3032   12.965   9.8309   3.8410   7.3877   3.2779 2.443141 5.049581 
1 1 1   38    3   -2 o   22.609   1.5863   71.767   9.5720   81.882   12.930   59.500   14.239   23.828   2.0399   19.739   2.7612 4.088552 3.432997 
1 1 1   38    3   -1 o   9.7814   2.7503   14.902   7.5276   10.309   10.616   19.546   10.675   8.6576   3.2961   10.940   3.3326 -2.282741 4.687290 
1 1 1   38    3    0 f   8.4694   2.8210   10.771   7.5145   14.625   10.697   7.0167   10.558   9.6709   3.3628   7.9639   3.2091 1.707097 4.648335 
1 1 1   38    3    1 o   5.0275   2.3489  -5.9339   7.8530  -2.2828   11.667  -8.9582   10.619   6.7351   3.0394   5.6515   2.6687 1.083636 4.044777 
1 1 1   38    3    2 o   14.016   2.6868   30.157   9.7467   37.414   14.624   24.356   13.074   14.882   3.6794   11.974   3.6954 2.908038 5.214729 
1 1 1   38    3    3 o   13.069   2.4532   25.795   8.2950   25.470   12.282   26.067   11.248   12.324   3.5299   12.625   3.2853 -0.3006659 4.822201 
1 1 1   38    3    4 o   16.965   1.8512   41.238   8.2982   45.668   11.441   36.321   12.054   17.425   2.5175   15.122   3.0724 2.302933 3.972105 
1 1 1   38    3    5 o   7.7231   2.8678   8.0584   7.9274   13.154   11.519   3.4747   10.926   9.3421   3.4593   7.3726   3.1405 1.969564 4.672234 
1 1 1   38    3    6 o   7.0366   2.8398   4.9753   8.2813  -1.7280   12.468   10.267   11.078   6.9822   3.1473   8.6645   3.3497 -1.682313 4.596284 
1 1 1   38    3    7 o   6.9465   2.8431   4.4300   8.4390  -5.6366   12.374   13.184   11.539   6.4896   3.0033   9.3179   3.4599 -2.828314 4.581609 
1 1 1   38    3    8 o   12.510   2.6281   24.235   8.5496   22.939   12.939   25.239   11.390   11.532   3.6927   12.293   3.3557 -0.7614918 4.989689 
1 1 1   38    3    9 o   8.2652   2.9858   10.018   8.5011   19.190   12.635   2.4307   11.491   10.639   3.6572   7.2811   3.1620 3.358402 4.834642 
1 1 1   38    3   10 o   7.4336   3.0864   5.1881   10.136  -6.8703   15.611   13.977   13.328   7.1001   3.3154   9.5276   3.6767 -2.427512 4.950810 
1 1 1   38    3   11 o   22.544   1.5536   71.724   9.3499   74.934   13.890   69.064   12.643   22.379   2.3458   21.600   2.2103 0.7784348 3.223079 
1 1 1   38    3   12 o   4.9935   2.3590  -7.1733   8.3126 -12.2065   11.036  -0.5723   12.638   5.3967   2.5954   7.0626   3.1775 -1.665937 4.102767 
1 1 1   38    3   13 o   15.973   2.0885   37.786   8.7454   66.610   12.689   11.708   12.070   21.089   2.2763   8.8817   3.4788 12.20747 4.157379 
1 1 1   38    3   14 o   14.234   2.2490   30.632   8.3128   22.614   11.557   39.225   11.965   11.347   3.4699   15.539   2.9752 -4.192428 4.570779 
1 1 1   38    3   15 o   5.5658   2.5331  -2.4968   8.3141  -9.6771   10.902   7.4819   12.853   5.5396   2.6413   8.1450   3.4348 -2.605350 4.332931 
1 1 1   38    3   16 o   11.041   2.7570   19.884   8.1514   20.249   11.185   19.470   11.904   10.675   3.4348   10.418   3.5506 0.2569160 4.940112 
1 1 1   38    3   17 o   10.967   2.7706   19.784   8.1641   8.6235   11.386   31.595   11.713   8.0553   3.3003   13.489   3.2674 -5.433415 4.644122 
1 1 1   38    3   18 o   5.0630   2.4033  -7.4196   8.8274 -24.5401   12.025   12.588   12.999   4.7420   2.3628   8.8601   3.5642 -4.118153 4.276233 
1 1 1   38    3   19 o   5.6457   2.5503  -1.2562   8.2372  -2.6523   11.053   0.4875   12.353   6.2262   2.8661   6.8967   3.1185 -0.6705098 4.235556 
1 1 1   38    3   20 o   7.6186   2.8877   8.8806   8.1258   7.3470   11.007   10.718   12.046   7.6274   3.1956   8.3310   3.4018 -0.7036223 4.667319 
1 1 1   38    3   21 o   16.005   2.2302   39.802   9.3265   31.883   13.493   47.046   12.906   12.689   3.7189   16.559   3.0128 -3.870488 4.786132 
1 1 1   38    4  -12 o   9.3205   4.3051   7.4150   25.242   7.4150   25.242   0.0000   0.0000   9.3205   4.3051  ?   ?  0.000000 4.305063 
1 1 1   38    4  -11 o   21.232   3.3999   77.222   18.734   77.222   18.734   0.0000   0.0000   21.232   3.3999  ?   ?  0.000000 3.399881 
1 1 1   38    4  -10 o   9.0093   3.7930   11.230   15.631   11.230   15.631   0.0000   0.0000   9.0093   3.7930  ?   ?  0.000000 3.792998 
1 1 1   38    4   -9 o   11.809   4.1252   27.157   16.106   27.157   16.106   0.0000   0.0000   11.809   4.1252  ?   ?  0.000000 4.125196 
1 1 1   38    4   -8 o   13.087   4.1493   33.272   16.368   33.272   16.368   0.0000   0.0000   13.087   4.1493  ?   ?  0.000000 4.149298 
1 1 1   38    4   -7 o   12.684   3.7989   29.433   13.958   38.595   17.043   10.770   24.324   14.143   4.1892   9.8055   4.4102 4.337825 6.082685 
1 1 1   38    4   -6 o   17.988   2.5502   49.846   11.976   53.006   16.997   46.730   16.877   17.325   3.7606   16.003   3.9504 1.322222 5.454171 
1 1 1   38    4   -5 o   15.553   2.9766   39.028   11.982   23.877   16.774   54.813   17.121   11.292   4.1757   17.706   3.7186 -6.413991 5.591444 
1 1 1   38    4   -4 o   10.783   3.3039   19.712   10.473   33.343   16.608   10.716   13.493   13.209   4.1788   8.8684   3.6084 4.340666 5.521086 
1 1 1   38    4   -3 o   12.001   3.2136   24.145   10.565   45.775   16.921   10.325   13.525   15.870   3.9775   8.8179   3.6030 7.052220 5.366756 
1 1 1   38    4   -2 o   11.642   3.3130   22.979   10.855   30.062   17.172   18.265   14.009   12.500   4.2644   10.321   3.8162 2.179124 5.722597 
1 1 1   38    4   -1 o   11.621   3.2373   22.679   10.480   26.331   16.210   20.056   13.736   11.857   4.1387   10.699   3.8032 1.158244 5.620824 
1 1 1   38    4    0 o   21.993   2.0979   71.042   12.243   78.300   23.209   68.243   14.410   20.496   4.3504   21.090   2.5990 -0.5936642 5.067632 
1 1 1   38    4    1 o   6.8111   2.8293   3.9845   8.5242   2.8994   11.608   5.2548   12.559   7.3229   3.1791   7.8693   3.3599 -0.5464373 4.625515 
1 1 1   38    4    2 o   14.307   2.3969   31.146   8.8847   21.380   12.349   41.628   12.793   11.063   3.6130   16.011   3.0868 -4.947221 4.752072 
1 1 1   38    4    3 o   20.923   1.6487   62.289   9.1902   58.875   14.123   64.797   12.103   19.378   2.7943   20.910   2.1873 -1.531925 3.548563 
1 1 1   38    4    4 o   6.6177   2.8123   2.8027   8.7241 -23.5561   12.747   26.026   11.965   5.0840   2.5159   12.253   3.4753 -7.169067 4.290423 
1 1 1   38    4    5 o   22.288   1.6849   70.895   10.012   84.507   15.647   61.459   13.028   23.533   2.5145   20.090   2.4661 3.442350 3.521982 
1 1 1   38    4    6 o   17.919   1.7540   46.207   8.3333   46.936   11.977   45.522   11.603   17.361   2.6525   17.137   2.6026 0.2244320 3.716118 
1 1 1   38    4    7 o   5.3598   2.4493  -3.0226   7.8738  -7.9549   11.454   1.3971   10.842   5.8933   2.7795   6.8773   3.0270 -0.9840159 4.109548 
1 1 1   38    4    8 o   6.5586   2.7291   3.6681   7.9504   9.3611   11.694  -1.2242   10.841   8.3516   3.3732   6.4943   2.9304 1.857273 4.468259 
1 1 1   38    4    9 o   21.283   1.6389   64.729   9.2965   53.828   14.509   72.322   12.109   18.094   3.0968   22.126   2.0612 -4.032677 3.720059 
1 1 1   38    4   10 o   8.7376   3.0313   12.327   8.6897   7.2886   13.303   16.076   11.476   8.1615   3.4707   9.6796   3.4725 -1.518135 4.909586 
1 1 1   38    4   11 o   13.762   2.5524   29.822   9.0874   47.075   14.122   17.630   11.872   16.633   3.2777   9.9894   3.5373 6.643596 4.822474 
1 1 1   38    4   12 o   12.934   2.8701   27.555   9.7101   20.781   14.246   33.433   13.270   10.512   3.8548   13.565   3.5873 -3.053117 5.265728 
1 1 1   38    4   13 o   14.272   2.5054   32.102   9.2536   22.259   13.883   39.971   12.413   10.781   3.8244   15.371   3.1135 -4.589898 4.931515 
1 1 1   38    4   14 o   6.8254   2.8396   4.7701   8.6047  -2.5814   12.899   10.665   11.550   6.6845   3.0840   8.3887   3.3649 -1.704200 4.564362 
1 1 1   38    4   15 o   3.9901   1.9984 -21.9073   9.1072 -28.6583   13.017 -15.4345   12.746   4.7771   2.3921   5.4847   2.6732 -0.7076621 3.587218 
1 1 1   38    4   16 f   11.405   2.8804   22.150   8.8255   20.689   13.040   23.384   11.989   10.312   3.7013   11.072   3.5554 -0.7599373 5.132326 
1 1 1   38    4   17 o   4.7919   2.3135 -10.0629   8.9709 -13.7320   15.201  -8.1022   11.112   6.1152   2.9664   5.6083   2.6720 0.5068326 3.992401 
1 1 1   38    4   18 o   8.4048   3.0125   12.132   8.6354   26.223   12.954   0.8611   11.585   11.404   3.6993   6.6741   3.0188 4.729448 4.774689 
1 1 1   38    5  -11 o   10.077   4.3490   21.210   21.465   21.210   21.465   0.0000   0.0000   10.077   4.3490  ?   ?  0.000000 4.348964 
1 1 1   38    5  -10 o   11.688   4.9439   36.960   26.755   36.960   26.755   0.0000   0.0000   11.688   4.9439  ?   ?  0.000000 4.943868 
1 1 1   38    5   -9 o   7.0459   3.3184  -5.1721   16.220  -5.1721   16.220   0.0000   0.0000   7.0459   3.3184  ?   ?  0.000000 3.318389 
1 1 1   38    5   -8 o   10.342   4.1162   21.368   17.147   21.368   17.147   0.0000   0.0000   10.342   4.1162  ?   ?  0.000000 4.116199 
1 1 1   38    5   -7 f   12.440   4.3297   33.360   17.735   33.360   17.735   0.0000   0.0000   12.440   4.3297  ?   ?  0.000000 4.329722 
1 1 1   38    5   -6 o   11.815   4.2518   29.405   17.218   29.405   17.218   0.0000   0.0000   11.815   4.2518  ?   ?  0.000000 4.251824 
1 1 1   38    5   -5 o   15.615   4.3464   50.073   18.899   50.073   18.899   0.0000   0.0000   15.615   4.3464  ?   ?  0.000000 4.346450 
1 1 1   38    5   -4 o   7.2079   3.1896   2.5073   12.196   2.8686   16.633   2.0872   17.938   7.9811   3.6129   8.0816   3.6946 -0.1004815 5.167471 
1 1 1   38    5   -3 o   9.0019   3.9888   9.5616   19.135 -15.8100   23.696   57.120   32.442   7.6158   3.6965   13.801   5.6029 -6.185727 6.712385 
1 1 1   38    5   -2 o   5.0310   2.4943 -23.2676   12.742 -37.1416   16.218  -0.8933   20.596   5.2159   2.6200   8.1920   3.8195 -2.976107 4.631767 
1 1 1   38    5   -1 o   8.4542   3.4197   10.344   12.038   7.1644   17.088   13.476   16.962   8.5457   3.7788   9.3343   3.9417 -0.7885981 5.460423 
1 1 1   38    5    0 o   6.2735   2.9860  -9.5486   13.806 -31.7100   25.140   0.0221   16.521   7.0847   3.5108   7.6982   3.5290 -0.6135039 4.977966 
1 1 1   38    5    1 o   6.7822   3.0988  -1.6448   12.597   2.2189   17.177  -6.1409   18.530   8.0174   3.6459   7.4787   3.5297 0.5387306 5.074535 
1 1 1   38    5    2 o   10.230   3.5536   18.894   11.944   7.4550   17.554   28.754   16.298   8.6245   3.8210   11.911   4.1504 -3.286950 5.641413 
1 1 1   38    5    3 o   11.311   3.5578   23.460   12.054   3.5980   17.359   41.953   16.750   8.1701   3.6953   14.589   4.1028 -6.419313 5.521672 
1 1 1   38    5    4 o   5.7756   2.6456  -2.8015   9.2606   12.309   13.138 -17.7236   13.056   8.8716   3.5780   5.4530   2.6680 3.418576 4.463212 
1 1 1   38    5    5 o   6.8448   2.8465   4.7002   8.6420  -1.7663   14.198   8.5062   10.892   7.0702   3.2523   7.9525   3.2396 -0.8822675 4.590468 
1 1 1   38    5    6 o   11.143   3.0001   21.160   9.1787   15.844   14.848   24.448   11.677   9.5169   3.8159   11.567   3.4771 -2.049726 5.162500 
1 1 1   38    5    7 f   10.548   3.0475   19.183   9.1188   42.010   14.792   5.1895   11.581   15.052   3.6877   7.4488   3.2046 7.603463 4.885556 
1 1 1   38    5    8 o   9.4138   3.0082   15.170   8.5904   20.928   12.864   10.536   11.541   10.493   3.6855   8.3468   3.3581 2.146010 4.985899 
1 1 1   38    5    9 o   9.1430   3.0925   14.408   9.0299   15.710   12.776   13.109   12.764   9.3662   3.6039   8.8729   3.5450 0.4933376 5.055209 
1 1 1   38    5   10 o   13.885   2.4682   30.647   8.8675   31.287   13.838   30.201   11.551   12.629   3.7826   12.968   3.3062 -0.3392801 5.023880 
1 1 1   38    5   11 o   6.2863   2.7421   2.0635   8.7221   3.0009   13.115   1.3202   11.679   7.2966   3.2632   6.8209   3.0629 0.4757271 4.475475 
1 1 1   38    5   12 o   9.9271   3.2156   17.904   9.7903   47.734   15.692  -1.1077   12.528   15.730   3.7645   6.6669   3.0625 9.062920 4.852812 
1 1 1   38    5   13 o   5.9198   2.6501   0.1372   8.6727  -4.4545   13.485   3.3763   11.326   6.4824   3.0444   6.9800   3.0820 -0.4975634 4.332075 
1 1 1   38    5   14 o   19.004   1.8698   54.032   9.4205   67.751   15.384   45.802   11.916   19.881   2.9722   16.530   2.7827 3.350769 4.071508 
1 1 1   38    5   15 o   6.9790   2.9654   5.5125   9.6973  -0.3536   15.429   9.3426   12.468   7.1316   3.3187   7.9476   3.3690 -0.8160024 4.729028 
1 1 1   38    6   -9 o   7.8065   3.7798  -5.3380   24.384  -5.3380   24.384   0.0000   0.0000   7.8065   3.7798  ?   ?  0.000000 3.779804 
1 1 1   38    6   -8 o   11.352   4.8372   38.540   25.935   38.540   25.935   0.0000   0.0000   11.352   4.8372  ?   ?  0.000000 4.837152 
1 1 1   38    6   -7 o   9.7394   4.3226   20.660   22.561   20.660   22.561   0.0000   0.0000   9.7394   4.3226  ?   ?  0.000000 4.322563 
1 1 1   38    6   -6 o   5.7409   2.8450 -23.9225   16.512 -23.9225   16.512   0.0000   0.0000   5.7409   2.8450  ?   ?  0.000000 2.844982 
1 1 1   38    6   -5 o   8.9947   3.8715   14.137   16.920   14.137   16.920   0.0000   0.0000   8.9947   3.8715  ?   ?  0.000000 3.871502 
1 1 1   38    6   -4 o   8.3845   3.7503   8.6350   17.328   8.6350   17.328   0.0000   0.0000   8.3845   3.7503  ?   ?  0.000000 3.750259 
1 1 1   38    6   -3 o   9.0525   4.2215   10.210   25.176   10.210   25.176   0.0000   0.0000   9.0525   4.2215  ?   ?  0.000000 4.221472 
1 1 1   38    6   -2 o   8.6175   3.4697   12.557   12.331   23.561   16.827  -0.2072   18.122   10.440   4.1021   7.6385   3.5686 2.801881 5.437136 
1 1 1   38    6   -1 o   9.5247   3.6608   17.317   13.173   18.417   17.384   15.835   20.188   9.6464   4.0266   9.3674   4.1265 0.2789135 5.765531 
1 1 1   38    6    0 o   10.106   3.7400   20.306   13.461   4.2675   17.819   41.624   20.543   8.0161   3.6712   12.956   4.6462 -4.939448 5.921543 
1 1 1   38    6    1 o   10.628   3.7923   22.934   13.669   18.595   17.958   28.911   21.076   9.6698   4.0680   10.934   4.4861 -1.263692 6.055893 
1 1 1   38    6    2 o   15.582   3.3812   44.104   13.745   28.701   18.348   63.800   20.748   11.143   4.3100   17.059   4.4733 -5.916124 6.211820 
1 1 1   38    6    3 o   22.833   2.5068   83.311   15.121   96.153   20.206   66.969   22.794   23.224   3.3351   16.783   4.8093 6.440905 5.852562 
1 1 1   38    6    4 o   19.669   2.8309   64.613   14.524   61.805   19.427   68.173   21.870   17.150   4.2411   17.360   4.6121 -0.2096748 6.265674 
1 1 1   38    6    5 o   7.6105   3.3600   5.6832   13.458 -14.3314   18.371   28.862   19.770   6.6281   3.2258   10.941   4.3975 -4.313300 5.453797 
1 1 1   38    6    6 o   6.2183   2.9430  -6.0914   13.044  -7.5734   18.289  -4.5570   18.610   7.0375   3.3732   7.2996   3.4722 -0.2620735 4.840887 
1 1 1   38    6    7 o   5.7922   2.7779  -9.2610   12.444 -17.6253   17.080   0.2041   18.169   6.1772   3.0284   7.5925   3.5555 -1.415350 4.670435 
1 1 1   38    6    8 o   7.4862   3.3152   5.4785   13.200   7.4439   18.667   3.5128   18.668   8.2576   3.7727   7.8985   3.6672 0.3591318 5.261347 
1 1 1   38    6    9 o   17.686   2.3015   49.504   10.674   55.346   16.163   44.986   14.215   16.886   3.6687   15.358   3.5212 1.527677 5.085085 
1 1 1   38    6   10 o   12.424   3.1753   28.422   10.636   55.823   15.952   6.4914   14.271   17.003   3.6049   7.6760   3.4205 9.327442 4.969399 
1 1 1   39    0  -15 o   5.2124   3.7347 -32.5100   24.430 -32.5100   24.430 -32.5100   24.430   5.2124   3.7347   5.2124   3.7347 0.000000 0.000000 
1 1 1   39    0  -14 o   7.6922   4.9117   7.0630   22.590   7.0630   22.590   7.0630   22.590   7.6922   4.9117   7.6922   4.9117 0.000000 0.000000 
1 1 1   39    0  -13 o   19.530   4.0239   60.980   18.641   60.980   18.641   60.980   18.641   19.530   4.0239   19.530   4.0239 0.000000 0.000000 
1 1 1   39    0  -12 o   10.419   4.9271   23.848   15.617   23.848   15.617   23.848   15.617   10.419   4.9271   10.419   4.9271 0.000000 0.000000 
1 1 1   39    0  -11 o   8.9139   4.9107   17.552   17.053   17.552   17.053   17.552   17.053   8.9139   4.9107   8.9139   4.9107 0.000000 0.000000 
1 1 1   39    0  -10 o   15.916   4.6160   44.333   17.125   44.333   17.125   44.333   17.125   15.916   4.6160   15.916   4.6160 0.000000 0.000000 
1 1 1   39    0   -9 o   13.887   4.3905   34.499   14.399   34.499   14.399   34.499   14.399   13.887   4.3905   13.887   4.3905 0.000000 0.000000 
1 1 1   39    0   -8 o   45.475   1.5576  281.888   18.974  281.888   18.974  281.888   18.974   45.475   1.5576   45.475   1.5576 0.000000 0.000000 
1 1 1   39    0   -7 f   27.520   2.0954  105.485   15.282  105.485   15.282  105.485   15.282   27.520   2.0954   27.520   2.0954 0.000000 0.000000 
1 1 1   39    0   -6 o   13.813   4.1178   33.084   13.299   33.084   13.299   33.084   13.299   13.813   4.1178   13.813   4.1178 0.000000 0.000000 
1 1 1   39    0   -5 o   26.195   2.1229   95.738   14.710   95.738   14.710   95.738   14.710   26.195   2.1229   26.195   2.1229 0.000000 0.000000 
1 1 1   39    0   -4 o   6.8843   3.9376   9.1614   11.489   9.1614   11.489   9.1614   11.489   6.8843   3.9376   6.8843   3.9376 0.000000 0.000000 
1 1 1   39    0   -3 o   16.499   2.5083   39.866   10.354   39.866   10.354   39.866   10.354   16.499   2.5083   16.499   2.5083 0.000000 0.000000 
1 1 1   39    0   -2 o   15.738   2.7420   37.025   10.537   37.025   10.537   37.025   10.537   15.738   2.7420   15.738   2.7420 0.000000 0.000000 
1 1 1   39    0   -1 f   13.889   3.2246   30.595   10.463   30.595   10.463   30.595   10.463   13.889   3.2246   13.889   3.2246 0.000000 0.000000 
1 1 1   39    0    0 o   23.365   1.8733   75.779   11.583   75.779   11.583   75.779   11.583   23.365   1.8733   23.365   1.8733 0.000000 0.000000 
1 1 1   39    0    1 f   20.851   2.1250   61.256   11.618   61.256   11.618   61.256   11.618   20.851   2.1250   20.851   2.1250 0.000000 0.000000 
1 1 1   39    0    2 o   4.5230   3.0708  -5.1723   11.238  -5.1723   11.238  -5.1723   11.238   4.5230   3.0708   4.5230   3.0708 0.000000 0.000000 
1 1 1   39    0    3 o   5.8919   3.6565   4.1211   11.578   4.1211   11.578   4.1211   11.578   5.8919   3.6565   5.8919   3.6565 0.000000 0.000000 
1 1 1   39    0    4 o   7.8862   4.2149   13.134   12.189   13.134   12.189   13.134   12.189   7.8862   4.2149   7.8862   4.2149 0.000000 0.000000 
1 1 1   39    0    5 o   7.5864   4.1385   11.992   11.978   11.992   11.978   11.992   11.978   7.5864   4.1385   7.5864   4.1385 0.000000 0.000000 
1 1 1   39    0    6 o   3.4035   2.4475 -17.9349   10.908 -17.9349   10.908 -17.9349   10.908   3.4035   2.4475   3.4035   2.4475 0.000000 0.000000 
1 1 1   39    0    7 f   15.959   2.8942   38.478   11.196   38.478   11.196   38.478   11.196   15.959   2.8942   15.959   2.8942 0.000000 0.000000 
1 1 1   39    0    8 o   16.580   2.8536   41.230   11.578   41.230   11.578   41.230   11.578   16.580   2.8536   16.580   2.8536 0.000000 0.000000 
1 1 1   39    0    9 o   29.627   1.9321  121.491   15.225  121.491   15.225  121.491   15.225   29.627   1.9321   29.627   1.9321 0.000000 0.000000 
1 1 1   39    0   10 o   20.832   2.6522   62.954   14.184   62.954   14.184   62.954   14.184   20.832   2.6522   20.832   2.6522 0.000000 0.000000 
1 1 1   39    0   11 o   16.821   4.3636   47.719   17.037   47.719   17.037   47.719   17.037   16.821   4.3636   16.821   4.3636 0.000000 0.000000 
1 1 1   39    0   12 o   3.5741   2.5831 -23.0917   12.887 -23.0917   12.887 -23.0917   12.887   3.5741   2.5831   3.5741   2.5831 0.000000 0.000000 
1 1 1   39    0   13 o   15.780   3.7592   40.644   13.826   40.644   13.826   40.644   13.826   15.780   3.7592   15.780   3.7592 0.000000 0.000000 
1 1 1   39    0   14 o   16.949   3.7221   46.167   14.831   46.167   14.831   46.167   14.831   16.949   3.7221   16.949   3.7221 0.000000 0.000000 
1 1 1   39    0   15 o   23.181   2.2964   76.550   13.976   76.550   13.976   76.550   13.976   23.181   2.2964   23.181   2.2964 0.000000 0.000000 
1 1 1   39    0   16 o   5.9015   3.7098   4.0402   12.320   4.0402   12.320   4.0402   12.320   5.9015   3.7098   5.9015   3.7098 0.000000 0.000000 
1 1 1   39    0   17 o   10.473   4.4076   22.838   12.488   22.838   12.488   22.838   12.488   10.473   4.4076   10.473   4.4076 0.000000 0.000000 
1 1 1   39    0   18 o   3.8636   2.7181 -10.9092   10.998 -10.9092   10.998 -10.9092   10.998   3.8636   2.7181   3.8636   2.7181 0.000000 0.000000 
1 1 1   39    0   19 o   5.4239   3.5565   0.3006   12.952   0.3006   12.952   0.3006   12.952   5.4239   3.5565   5.4239   3.5565 0.000000 0.000000 
1 1 1   39    0   20 o   4.0275   2.8142  -9.3028   11.208  -9.3028   11.208  -9.3028   11.208   4.0275   2.8142   4.0275   2.8142 0.000000 0.000000 
1 1 1   39    0   21 f   10.862   4.2413   24.009   11.821   24.009   11.821   24.009   11.821   10.862   4.2413   10.862   4.2413 0.000000 0.000000 
1 1 1   39    0   22 o   22.061   2.2752   70.453   13.153   70.453   13.153   70.453   13.153   22.061   2.2752   22.061   2.2752 0.000000 0.000000 
1 1 1   39    0   23 o   15.844   3.1572   40.124   11.928   40.124   11.928   40.124   11.928   15.844   3.1572   15.844   3.1572 0.000000 0.000000 
1 1 1   39    1  -13 o   10.071   4.4460   13.150   23.561   13.150   23.561   0.0000   0.0000   10.071   4.4460  ?   ?  0.000000 4.446019 
1 1 1   39    1  -12 o   10.948   3.7590   21.053   13.346   23.044   16.011   16.520   24.158   11.251   4.0926   10.526   4.5780 0.7251472 6.140601 
1 1 1   39    1  -11 o   12.949   3.8599   30.060   14.435   10.846   16.889   82.150   27.808   9.3372   3.9375   19.878   5.1623 -10.54092 6.492553 
1 1 1   39    1  -10 o   11.677   3.5219   23.289   11.965   19.429   17.023   27.058   16.822   10.707   4.1487   12.100   4.2164 -1.393256 5.915220 
1 1 1   39    1   -9 o   11.047   3.4780   20.532   11.516  -1.2130   16.121   43.190   16.456   7.8104   3.5441   15.659   3.9214 -7.848347 5.285653 
1 1 1   39    1   -8 o   16.514   2.5482   41.348   10.939   50.810   16.210   33.437   14.822   17.433   3.5817   13.811   3.8509 3.622048 5.259134 
1 1 1   39    1   -7 o   11.999   3.1887   23.468   10.452   11.303   15.550   33.493   14.117   9.3912   3.8533   13.984   3.7008 -4.592496 5.342669 
1 1 1   39    1   -6 o   19.474   1.9852   54.712   10.239   51.596   14.877   57.516   14.113   17.982   3.1974   19.353   2.7962 -1.370398 4.247601 
1 1 1   39    1   -5 o   18.018   2.0125   46.940   9.5732   48.853   13.377   44.932   13.706   17.744   2.9076   16.812   3.1510 0.9320793 4.287468 
1 1 1   39    1   -4 o   22.241   1.7190   69.950   10.189   49.587   14.391   90.419   14.428   17.704   3.1414   24.938   2.1758 -7.234016 3.821280 
1 1 1   39    1   -3 o   14.402   2.5270   31.319   9.4188   38.320   13.177   24.005   13.468   15.419   3.2825   11.883   3.7635 3.535835 4.993837 
1 1 1   39    1   -2 o   11.734   2.5425   21.001   7.7819   24.489   10.706   17.094   11.331   12.310   3.2062   10.308   3.4643 2.001473 4.720289 
1 1 1   39    1   -1 o   5.0610   2.3308  -4.2131   7.3210  -3.0542   10.380  -5.3600   10.327   6.2801   2.8475   5.9707   2.7563 0.3094425 3.963023 
1 1 1   39    1    0 o   16.704   1.7998   39.763   7.9473   36.148   11.286   43.318   11.193   15.288   2.8535   16.995   2.5293 -1.707036 3.813064 
1 1 1   39    1    1 o   7.1522   2.7605   6.0396   7.5142  -3.1714   10.635   15.221   10.618   6.3411   2.8779   9.8372   3.3533 -3.496180 4.418901 
1 1 1   39    1    2 o   6.9283   2.8528   3.9923   8.5610   8.1669   12.048  -0.2656   12.167   8.4532   3.4204   7.1430   3.1721 1.310153 4.664896 
1 1 1   39    1    3 o   10.595   2.6973   17.419   7.6957   26.928   10.861   7.8307   10.906   12.947   3.1525   8.1940   3.2757 4.753218 4.546318 
1 1 1   39    1    4 o   24.707   1.3950   84.800   9.2198   85.791   13.881   84.018   12.334   24.311   2.1478   24.246   1.9093 0.6473351E-01 2.873792 
1 1 1   39    1    5 o   5.3172   2.4492  -4.4176   8.0881  -9.8362   12.096  -0.0363   10.877   6.0112   2.8416   6.8268   3.0170 -0.8155789 4.144505 
1 1 1   39    1    6 o   17.707   1.8337   44.850   8.5948   46.151   12.779   43.776   11.614   17.263   2.8559   16.970   2.6334 0.2925282 3.884673 
1 1 1   39    1    7 o   12.675   2.6257   24.742   8.6450   36.911   12.291   12.826   12.162   15.191   3.1167   9.3159   3.5324 5.875536 4.710824 
1 1 1   39    1    8 o   13.671   2.3008   27.935   8.1483   26.796   11.626   29.035   11.424   12.699   3.3573   13.329   3.2258 -0.6296568 4.655894 
1 1 1   39    1    9 o   11.163   2.7118   19.554   8.0505   32.703   11.496   6.9009   11.277   14.248   3.0927   8.0040   3.2825 6.244308 4.509932 
1 1 1   39    1   10 o   5.9626   2.7281  -3.6674   9.8075 -16.6833   13.732   9.8853   14.012   5.8471   2.8324   8.8995   3.6554 -3.052338 4.624326 
1 1 1   39    1   11 o   9.4720   2.8881   14.318   8.0146   17.696   11.348   10.957   11.320   10.282   3.4669   8.7516   3.3854 1.530232 4.845601 
1 1 1   39    1   12 o   6.5235   2.7151   3.3596   7.8716   12.856   11.007  -6.5834   11.262   9.1033   3.3794   6.0212   2.8131 3.082037 4.397002 
1 1 1   39    1   13 o   12.168   2.7731   23.627   8.8613   30.486   12.298   16.219   12.780   13.341   3.4169   9.8637   3.6454 3.477830 4.996403 
1 1 1   39    1   14 o   29.577   1.3090  121.687   10.399  121.018   13.941  122.526   15.614   29.011   1.7980   28.943   2.0213 0.6798172E-01 2.705211 
1 1 1   39    1   15 o   10.376   2.8780   17.669   8.3016   12.460   11.082   24.328   12.531   8.9071   3.3733   11.626   3.6228 -2.718582 4.950122 
1 1 1   39    1   16 o   15.284   2.1742   35.173   8.6740   26.939   11.752   45.026   12.856   12.360   3.4229   16.581   2.9970 -4.221027 4.549524 
1 1 1   39    1   17 o   10.409   2.8341   17.931   8.1370   19.589   11.308   16.151   11.718   10.469   3.4593   9.6344   3.5016 0.8350525 4.922227 
1 1 1   39    1   18 o   21.142   1.6876   64.563   9.5029   59.504   14.249   68.616   12.753   19.116   2.8634   21.215   2.2736 -2.098841 3.656293 
1 1 1   39    1   19 o   15.375   2.0630   35.639   8.3043   46.971   11.594   23.700   11.901   17.171   2.5947   11.278   3.5331 5.893179 4.383506 
1 1 1   39    1   20 o   16.353   1.9162   39.857   8.2570   34.775   11.580   45.113   11.777   14.159   3.1282   16.624   2.7326 -2.464777 4.153657 
1 1 1   39    1   21 o   7.8023   2.8941   9.7059   8.0693   18.113   11.684   2.0402   11.157   9.7923   3.5049   6.7931   3.0260 2.999211 4.630373 
1 1 1   39    2  -11 o   8.5711   4.0033  -0.8916   22.781  -0.8916   22.781   0.0000   0.0000   8.5711   4.0033  ?   ?  0.000000 4.003254 
1 1 1   39    2  -10 o   22.815   3.1610   85.633   18.850   85.633   18.850   0.0000   0.0000   22.815   3.1610  ?   ?  0.000000 3.161036 
1 1 1   39    2   -9 o   7.3772   3.3542  -0.8601   14.532   2.0988   16.693 -10.1200   29.530   8.0829   3.6428   8.8393   4.2497 -0.7563038 5.597299 
1 1 1   39    2   -8 f   16.832   3.2515   47.088   14.168   55.215   16.901   27.880   25.984   17.816   3.6545   11.642   4.8954 6.173837 6.108992 
1 1 1   39    2   -7 o   21.847   2.2178   70.984   12.834   70.722   17.494   71.290   18.885   20.740   3.2469   20.452   3.5676 0.2878418 4.823951 
1 1 1   39    2   -6 o   10.819   3.3192   19.840   10.566   26.319   16.342   15.187   13.849   11.822   4.1539   9.7096   3.7477 2.111942 5.594606 
1 1 1   39    2   -5 o   21.181   2.1103   65.973   11.846   71.343   17.711   61.627   15.934   20.866   3.2675   19.496   3.1503 1.369659 4.538800 
1 1 1   39    2   -4 o   7.7515   3.1205   7.0955   9.9726  -4.5484   15.696   14.978   12.914   7.3108   3.3831   9.6610   3.6456 -2.350190 4.973501 
1 1 1   39    2   -3 o   6.8989   2.9770   2.3447   10.056   11.729   15.348  -4.7157   13.312   9.2833   3.8208   6.7696   3.1267 2.513787 4.937047 
1 1 1   39    2   -2 o   14.497   2.7954   33.088   10.490   62.422   16.658   13.810   13.504   19.520   3.2946   9.4895   3.6900 10.03023 4.946786 
1 1 1   39    2   -1 o   16.204   2.3880   39.608   10.081   31.278   14.747   46.916   13.813   13.170   3.8959   17.028   3.1357 -3.858270 5.001013 
1 1 1   39    2    0 o   9.4496   3.2271   14.367   9.8339   8.3435   15.132   18.771   12.939   8.7676   3.7138   10.492   3.6953 -1.724690 5.239002 
1 1 1   39    2    1 o   11.811   2.5262   21.585   7.7712   15.390   11.089   27.565   10.894   9.7178   3.4211   12.936   3.1619 -3.218667 4.658548 
1 1 1   39    2    2 o   13.776   2.5161   29.139   8.9666   24.759   12.759   33.412   12.603   11.897   3.6472   14.101   3.3731 -2.203814 4.967894 
1 1 1   39    2    3 o   8.4222   2.8751   10.886   7.8056  -0.2382   10.991   22.205   11.087   6.7378   3.0022   11.438   3.3764 -4.700686 4.518098 
1 1 1   39    2    4 o   10.304   2.9313   17.206   8.4990   2.2511   12.095   31.792   11.945   7.3443   3.2157   13.809   3.2708 -6.465111 4.586813 
1 1 1   39    2    5 o   7.8123   2.9224   8.5605   8.2623   2.7194   11.503   14.785   11.875   7.2759   3.1618   9.5625   3.5174 -2.286623 4.729581 
1 1 1   39    2    6 o   13.705   2.2806   28.336   8.0995   16.992   11.197   40.787   11.730   10.049   3.4434   16.064   2.8217 -6.015027 4.451874 
1 1 1   39    2    7 o   7.8216   3.0384   8.1858   9.1484  -4.3131   14.301   16.844   11.903   6.9985   3.2353   9.9843   3.5413 -2.985797 4.796620 
1 1 1   39    2    8 f   6.3275   2.7049   2.1448   8.1576   2.1190   11.903   2.1676   11.202   7.2323   3.1777   7.0873   3.0991 0.1449924 4.438736 
1 1 1   39    2    9 o   7.9205   2.9181   9.2176   8.1777   10.089   11.975   8.4557   11.195   8.5339   3.4251   8.1302   3.2945 0.4036922 4.752337 
1 1 1   39    2   10 o   24.130   1.7551   83.780   11.297   96.944   18.342   75.732   14.341   24.749   2.8089   22.270   2.4372 2.478836 3.718918 
1 1 1   39    2   11 o   12.136   2.6686   23.540   8.4616   17.267   12.147   29.454   11.794   9.9494   3.5722   13.028   3.3512 -3.078788 4.898129 
1 1 1   39    2   12 o   12.123   2.5967   23.388   8.2007   11.743   11.381   35.965   11.827   8.7094   3.3873   14.658   3.1008 -5.948845 4.592278 
1 1 1   39    2   13 o   22.071   1.6721   70.093   9.8388   76.636   14.554   64.585   13.352   22.237   2.4790   20.391   2.4896 1.846226 3.513337 
1 1 1   39    2   14 o   8.9518   2.8964   13.303   7.9448   20.227   11.295   6.5235   11.177   10.567   3.4557   7.6333   3.2102 2.933242 4.716704 
1 1 1   39    2   15 o   19.127   1.6627   52.914   8.4568   50.972   11.920   54.883   12.000   17.962   2.5418   18.750   2.4406 -0.7881432 3.523803 
1 1 1   39    2   16 f   14.319   2.2258   31.594   8.2822   32.917   11.350   30.087   12.113   13.779   3.1370   12.816   3.4448 0.9634991 4.659184 
1 1 1   39    2   17 o   5.0068   2.3358  -4.4137   7.7195  -8.6405   10.938  -0.2189   10.896   5.5314   2.6396   6.4572   2.9235 -0.9257569 3.938852 
1 1 1   39    2   18 o   9.2863   2.9366   15.010   8.2027   24.192   10.971   3.3714   12.352   11.395   3.3574   7.1750   3.1907 4.219534 4.631718 
1 1 1   39    3  -10 o   9.9863   4.4898   17.850   25.182   17.850   25.182   0.0000   0.0000   9.9863   4.4898  ?   ?  0.000000 4.489802 
1 1 1   39    3   -9 o   11.811   4.9794   35.730   26.998   35.730   26.998   0.0000   0.0000   11.811   4.9794  ?   ?  0.000000 4.979383 
1 1 1   39    3   -8 o   7.0795   3.3397  -6.3722   16.553  -6.3722   16.553   0.0000   0.0000   7.0795   3.3397  ?   ?  0.000000 3.339703 
1 1 1   39    3   -7 o   9.3594   3.9461   13.860   16.958   13.860   16.958   0.0000   0.0000   9.3594   3.9461  ?   ?  0.000000 3.946097 
1 1 1   39    3   -6 o   7.1035   3.3223  -4.8605   15.776  -4.8605   15.776   0.0000   0.0000   7.1035   3.3223  ?   ?  0.000000 3.322261 
1 1 1   39    3   -5 o   7.8644   3.5487   2.3620   15.900   2.3620   15.900   0.0000   0.0000   7.8644   3.5487  ?   ?  0.000000 3.548705 
1 1 1   39    3   -4 o   11.413   3.5798   23.714   12.213   46.664   17.670   2.7219   16.899   15.458   4.1630   8.0674   3.6477 7.390507 5.535042 
1 1 1   39    3   -3 o   12.387   3.4901   27.424   12.109   50.015   17.458   6.4808   16.809   16.270   4.0187   8.4883   3.7509 7.781648 5.497194 
1 1 1   39    3   -2 o   15.725   2.7242   39.397   11.089   42.044   18.278   37.855   13.949   14.369   4.3572   14.554   3.5906 -0.1842861 5.646036 
1 1 1   39    3   -1 o   16.856   2.4846   44.025   10.912   51.096   17.760   39.737   13.830   16.438   4.0490   15.047   3.4897 1.390749 5.345366 
1 1 1   39    3    0 o   20.094   2.1148   60.175   11.243   57.158   18.406   61.971   14.200   17.509   4.0012   19.758   2.7503 -2.249123 4.855266 
1 1 1   39    3    1 o   13.091   3.3413   29.785   11.788   36.371   18.492   25.276   15.299   13.203   4.4257   11.438   4.0191 1.765175 5.978278 
1 1 1   39    3    2 o   13.384   3.1181   30.177   11.001   31.521   18.349   29.423   13.745   12.302   4.3933   12.569   3.7711 -0.2669878 5.789831 
1 1 1   39    3    3 o   6.8666   2.9364   3.4399   9.6192  -4.7424   13.774   11.229   13.439   6.7388   3.1358   8.7862   3.5910 -2.047433 4.767433 
1 1 1   39    3    4 o   12.421   3.0262   25.877   10.003   27.308   15.128   24.765   13.334   11.838   4.0027   11.510   3.7542 0.3285055 5.487782 
1 1 1   39    3    5 o   6.9229   2.8305   5.2063   8.3532  -1.9602   12.240   11.454   11.428   6.6781   3.0526   8.6325   3.3841 -1.954421 4.557421 
1 1 1   39    3    6 o   4.5697   2.2092 -10.4670   8.2512 -21.8367   12.587  -1.8983   10.927   5.0756   2.5096   6.3609   2.8985 -1.285267 3.833973 
1 1 1   39    3    7 o   6.0150   2.6504   0.5815   8.3342   7.0190   12.500  -4.5697   11.182   7.9265   3.3674   6.0968   2.8332 1.829677 4.400697 
1 1 1   39    3    8 o   15.294   2.1903   35.575   8.7406   30.112   13.376   39.646   11.547   12.656   3.7009   15.548   2.8708 -2.892682 4.683766 
1 1 1   39    3    9 o   7.6264   3.1035   7.5654   9.9831   15.458   16.272   2.8016   12.642   9.4794   3.9211   7.2939   3.2365 2.185545 5.084264 
1 1 1   39    3   10 o   13.043   2.9067   28.505   9.9223   54.649   15.859   11.690   12.719   17.481   3.4998   8.6471   3.5090 8.833620 4.955980 
1 1 1   39    3   11 o   9.2078   3.1365   14.718   9.2894   33.776   15.589   4.2256   11.567   12.826   4.0476   7.2534   3.1611 5.572267 5.135716 
1 1 1   39    3   12 o   11.106   3.1715   21.985   9.9299   23.499   18.157   21.340   11.861   10.501   4.2165   10.603   3.5445 -0.1015139 5.508356 
1 1 1   39    3   13 o   5.7512   2.6303  -2.0284   9.1045  -7.9433   15.270   1.2338   11.341   6.5736   3.1320   6.7289   3.0201 -0.1552649 4.350893 
1 1 1   39    3   14 o   7.7069   3.0259   9.0788   9.1497   7.5936   15.769   9.8326   11.234   8.1389   3.6130   8.0395   3.2842 0.9937286E-01 4.882569 
1 1 1   39    3   15 o   8.5464   3.1088   12.761   9.2390   11.068   15.574   13.680   11.477   8.4969   3.6856   8.7481   3.4018 -0.2511930 5.015510 
1 1 1   39    3   16 o   8.8428   3.0652   14.019   8.8843   14.319   14.317   13.831   11.330   8.8396   3.6689   8.7208   3.3830 0.1187563 4.990565 
1 1 1   39    4   -8 o   5.9537   3.0101 -50.2400   23.425 -50.2400   23.425   0.0000   0.0000   5.9537   3.0101  ?   ?  0.000000 3.010141 
1 1 1   39    4   -7 o   16.134   5.4720   75.440   28.273   75.440   28.273   0.0000   0.0000   16.134   5.4720  ?   ?  0.000000 5.471965 
1 1 1   39    4   -6 o   9.3288   3.9828   15.822   17.645   15.822   17.645   0.0000   0.0000   9.3288   3.9828  ?   ?  0.000000 3.982789 
1 1 1   39    4   -5 o   8.6216   3.7686   10.476   16.551   10.476   16.551   0.0000   0.0000   8.6216   3.7686  ?   ?  0.000000 3.768601 
1 1 1   39    4   -4 o   7.7512   3.5444   2.5883   16.520   2.5883   16.520   0.0000   0.0000   7.7512   3.5444  ?   ?  0.000000 3.544357 
1 1 1   39    4   -3 o   11.185   4.7683   31.930   25.224   31.930   25.224   0.0000   0.0000   11.185   4.7683  ?   ?  0.000000 4.768294 
1 1 1   39    4   -2 o   30.435   2.6660  149.113   21.573  149.113   21.573   0.0000   0.0000   30.435   2.6660  ?   ?  0.000000 2.665955 
1 1 1   39    4   -1 o   9.9260   3.7513   18.926   13.687   14.650   17.767   25.170   21.468   9.2750   3.9791   10.607   4.4544 -1.332368 5.972833 
1 1 1   39    4    0 o   6.6161   3.0709  -3.0380   13.077   14.124   17.877 -22.7873   19.178   9.2157   3.9730   6.3913   3.1483 2.824358 5.069191 
1 1 1   39    4    1 o   8.9807   3.9264   12.173   17.974   12.173   17.974   0.0000   0.0000   8.9807   3.9264  ?   ?  0.000000 3.926420 
1 1 1   39    4    2 o   8.4720   3.4018   11.470   11.818   7.9720   16.634   15.037   16.794   8.3739   3.7143   9.2825   3.9211 -0.9086132 5.401013 
1 1 1   39    4    3 o   9.2967   3.4875   15.634   11.783   11.810   16.902   19.250   16.435   8.8497   3.8391   9.8856   3.9967 -1.035926 5.541836 
1 1 1   39    4    4 o   4.9798   2.4508 -17.6987   11.535 -13.3327   17.027 -21.4027   15.683   6.5293   3.1607   5.7659   2.8415 0.7634063 4.250171 
1 1 1   39    4    5 o   7.0564   3.1372   2.7919   11.933  -3.4021   17.806   7.8420   16.078   7.3747   3.4743   8.2607   3.6585 -0.8860345 5.045348 
1 1 1   39    4    6 o   6.2753   2.9021  -2.6991   11.523  -4.5597   17.323  -1.2225   15.432   7.1901   3.3994   7.1822   3.3345 0.7937908E-02 4.761817 
1 1 1   39    4    7 o   10.215   3.1270   18.768   9.3834   12.234   13.028   25.813   13.527   8.5944   3.5267   11.273   3.7851 -2.678176 5.173477 
1 1 1   39    4    8 o   4.5422   2.2355 -15.4123   9.6018 -15.0387   15.166 -15.6622   12.405   5.9964   2.9211   5.3186   2.6018 0.6778021 3.911826 
1 1 1   39    4    9 o   4.0194   2.0180 -23.4142   9.5628 -30.0377   13.101 -15.8616   13.990   4.6787   2.3508   5.6711   2.7719 -0.9923644 3.634529 
1 1 1   39    4   10 f   6.9373   2.9543   5.1677   9.6639   10.392   13.597  -0.1654   13.738   8.2348   3.5055   6.9142   3.1874 1.320588 4.737944 
1 1 1   39    4   11 o   6.0450   2.7129   0.4860   9.1487   13.870   13.593 -10.5988   12.370   8.7380   3.5960   5.6408   2.7217 3.097214 4.509812 
1 1 1   39    4   12 o   6.7958   2.9194   4.7308   9.5870   3.0401   13.909   6.2613   13.233   7.2263   3.2840   7.5362   3.3293 -0.3099346 4.676403 
1 1 1   39    5   -5 o   10.458   4.7249   34.520   28.287   34.520   28.287   0.0000   0.0000   10.458   4.7249  ?   ?  0.000000 4.724877 
1 1 1   39    5   -4 o   10.072   4.6239   29.190   28.502   29.190   28.502   0.0000   0.0000   10.072   4.6239  ?   ?  0.000000 4.623935 
1 1 1   39    5   -3 o   6.5127   3.2714 -36.7400   25.285 -36.7400   25.285   0.0000   0.0000   6.5127   3.2714  ?   ?  0.000000 3.271383 
1 1 1   39    5   -2 o   10.643   4.2123   27.602   17.866   27.602   17.866   0.0000   0.0000   10.643   4.2123  ?   ?  0.000000 4.212335 
1 1 1   39    5   -1 o   14.852   4.4183   51.856   18.928   51.856   18.928   0.0000   0.0000   14.852   4.4183  ?   ?  0.000000 4.418345 
1 1 1   39    5    0 o   10.690   4.2369   27.980   18.099   27.980   18.099   0.0000   0.0000   10.690   4.2369  ?   ?  0.000000 4.236940 
1 1 1   39    5    1 o   6.3332   2.9783  -3.9114   12.979   16.228   17.030 -31.8200   20.048   9.0602   3.8916   5.9535   2.9794 3.106702 4.901098 
1 1 1   39    5    2 o   12.031   3.9592   31.984   14.818   15.570   17.942   67.190   26.277   8.9808   3.9248   14.751   5.2585 -5.770088 6.561679 
1 1 1   39    5    3 o   11.022   3.7420   25.815   13.222   30.642   18.092   20.282   19.370   11.080   4.2815   9.5221   4.1203 1.558130 5.942044 
1 1 1   39    5    4 o   7.3443   3.3467   3.6117   14.570   3.9730   23.334   3.3809   18.653   8.1900   3.8935   7.7683   3.6263 0.4216995 5.320637 
1 1 1   39    5    5 o   10.321   3.7708   23.111   13.614   32.517   19.121   13.441   19.388   11.150   4.3754   8.7223   3.9288 2.427686 5.880438 
1 1 1   40    0  -10 o   8.7598   5.3046   16.380   23.036   16.380   23.036   16.380   23.036   8.7598   5.3046   8.7598   5.3046 0.000000 0.000000 
1 1 1   40    0   -9 o   5.1331   3.5319  -8.6180   15.994  -8.6180   15.994  -8.6180   15.994   5.1331   3.5319   5.1331   3.5319 0.000000 0.000000 
1 1 1   40    0   -8 o   16.474   4.6663   48.086   17.883   48.086   17.883   48.086   17.883   16.474   4.6663   16.474   4.6663 0.000000 0.000000 
1 1 1   40    0   -7 o   11.400   5.1193   28.583   16.747   28.583   16.747   28.583   16.747   11.400   5.1193   11.400   5.1193 0.000000 0.000000 
1 1 1   40    0   -6 o   6.3702   4.1067   2.8481   16.269   2.8481   16.269   2.8481   16.269   6.3702   4.1067   6.3702   4.1067 0.000000 0.000000 
1 1 1   40    0   -5 o   4.8084   3.3473 -11.7075   15.457 -11.7075   15.457 -11.7075   15.457   4.8084   3.3473   4.8084   3.3473 0.000000 0.000000 
1 1 1   40    0   -4 o   13.216   4.6158   33.164   14.825   33.164   14.825   33.164   14.825   13.216   4.6158   13.216   4.6158 0.000000 0.000000 
1 1 1   40    0   -3 o   4.1540   2.9377 -14.8863   13.395 -14.8863   13.395 -14.8863   13.395   4.1540   2.9377   4.1540   2.9377 0.000000 0.000000 
1 1 1   40    0   -2 o   36.022   1.9924  179.900   19.142  179.900   19.142  179.900   19.142   36.022   1.9924   36.022   1.9924 0.000000 0.000000 
1 1 1   40    0   -1 o   6.4805   3.9352   6.8624   12.748   6.8624   12.748   6.8624   12.748   6.4805   3.9352   6.4805   3.9352 0.000000 0.000000 
1 1 1   40    0    0 o   8.6037   4.4741   16.432   13.441   16.432   13.441   16.432   13.441   8.6037   4.4741   8.6037   4.4741 0.000000 0.000000 
1 1 1   40    0    1 o   30.194   1.5854  125.239   12.776  125.239   12.776  125.239   12.776   30.194   1.5854   30.194   1.5854 0.000000 0.000000 
1 1 1   40    0    2 o   13.040   4.1002   30.448   12.613   30.448   12.613   30.448   12.613   13.040   4.1002   13.040   4.1002 0.000000 0.000000 
1 1 1   40    0    3 o   5.4720   3.4522   2.9156   10.776   2.9156   10.776   2.9156   10.776   5.4720   3.4522   5.4720   3.4522 0.000000 0.000000 
1 1 1   40    0    4 o   43.684   1.3487  259.822   15.791  259.822   15.791  259.822   15.791   43.684   1.3487   43.684   1.3487 0.000000 0.000000 
1 1 1   40    0    5 o   6.8528   3.9247   9.4789   11.434   9.4789   11.434   9.4789   11.434   6.8528   3.9247   6.8528   3.9247 0.000000 0.000000 
1 1 1   40    0    6 o   16.863   2.7846   42.741   11.578   42.741   11.578   42.741   11.578   16.863   2.7846   16.863   2.7846 0.000000 0.000000 
1 1 1   40    0    7 o   18.048   3.2551   50.203   14.254   50.203   14.254   50.203   14.254   18.048   3.2551   18.048   3.2551 0.000000 0.000000 
1 1 1   40    0    8 o   15.561   3.1384   37.863   11.623   37.863   11.623   37.863   11.623   15.561   3.1384   15.561   3.1384 0.000000 0.000000 
1 1 1   40    0    9 o   4.6848   3.1270  -2.2708   10.758  -2.2708   10.758  -2.2708   10.758   4.6848   3.1270   4.6848   3.1270 0.000000 0.000000 
1 1 1   40    0   10 o   12.475   5.1369   33.031   17.041   33.031   17.041   33.031   17.041   12.475   5.1369   12.475   5.1369 0.000000 0.000000 
1 1 1   40    0   11 o   9.6111   4.1268   19.258   10.911   19.258   10.911   19.258   10.911   9.6111   4.1268   9.6111   4.1268 0.000000 0.000000 
1 1 1   40    0   12 o   9.2928   4.1356   18.382   10.932   18.382   10.932   18.382   10.932   9.2928   4.1356   9.2928   4.1356 0.000000 0.000000 
1 1 1   40    0   13 o   5.7010   3.5877   3.8730   11.558   3.8730   11.558   3.8730   11.558   5.7010   3.5877   5.7010   3.5877 0.000000 0.000000 
1 1 1   40    0   14 f   7.6980   4.0137   13.317   10.839   13.317   10.839   13.317   10.839   7.6980   4.0137   7.6980   4.0137 0.000000 0.000000 
1 1 1   40    0   15 o   3.6466   2.5919 -13.2408   10.894 -13.2408   10.894 -13.2408   10.894   3.6466   2.5919   3.6466   2.5919 0.000000 0.000000 
1 1 1   40    0   16 o   38.604   1.4387  204.609   14.871  204.609   14.871  204.609   14.871   38.604   1.4387   38.604   1.4387 0.000000 0.000000 
1 1 1   40    0   17 o   5.3684   3.4488   2.3835   11.347   2.3835   11.347   2.3835   11.347   5.3684   3.4488   5.3684   3.4488 0.000000 0.000000 
1 1 1   40    0   18 f   36.839   1.5992  187.805   15.756  187.805   15.756  187.805   15.756   36.839   1.5992   36.839   1.5992 0.000000 0.000000 
1 1 1   40    0   19 o   5.8932   3.6449   5.7605   11.406   5.7605   11.406   5.7605   11.406   5.8932   3.6449   5.8932   3.6449 0.000000 0.000000 
1 1 1   40    1   -8 o   13.266   5.0982   44.810   25.547   44.810   25.547   0.0000   0.0000   13.266   5.0982  ?   ?  0.000000 5.098197 
1 1 1   40    1   -7 o   7.7992   3.5870  -0.2200   17.259 -38.7900   22.790   51.650   26.429   6.4388   3.2154   14.180   5.2420 -7.741250 6.149560 
1 1 1   40    1   -6 o   24.525   2.4299   92.384   15.796  114.527   19.661   52.070   26.529   26.840   2.7670   14.300   5.2579 12.53973 5.941493 
1 1 1   40    1   -5 o   11.981   3.9189   27.470   14.526   32.423   17.454   16.310   26.198   12.582   4.2993   10.210   4.5858 2.372139 6.285966 
1 1 1   40    1   -4 o   23.489   2.2059   82.728   13.754   79.122   19.074   86.632   19.850   21.527   3.4127   22.584   3.3761 -1.056288 4.800486 
1 1 1   40    1   -3 o   30.199   1.7898  131.636   14.453  120.650   19.989  143.672   20.922   27.689   2.7230   30.446   2.5829 -2.757021 3.753147 
1 1 1   40    1   -2 o   5.7652   2.7011  -6.3097   10.508   24.667   16.908 -25.8065   13.414   11.245   4.1857   5.0986   2.5331 6.146231 4.892472 
1 1 1   40    1   -1 o   8.8769   3.3024   12.570   10.522   24.262   16.428   4.4354   13.702   11.206   4.1347   7.8304   3.4257 3.375531 5.369507 
1 1 1   40    1    0 f   12.717   3.1659   27.368   10.771   23.104   17.694   29.879   13.577   10.953   4.2337   12.767   3.7273 -1.813571 5.640633 
1 1 1   40    1    1 o   19.691   1.9739   56.982   10.299   52.918   15.045   60.566   14.128   17.728   3.2806   19.543   2.7691 -1.814795 4.293049 
1 1 1   40    1    2 o   15.643   2.4406   37.735   9.9197   30.807   14.621   43.642   13.502   12.775   3.9022   16.102   3.2343 -3.327188 5.068319 
1 1 1   40    1    3 o   16.491   2.0353   40.332   8.8236   36.255   12.775   44.051   12.202   14.515   3.3454   16.549   2.8478 -2.034012 4.393353 
1 1 1   40    1    4 o   13.854   2.5145   30.008   9.0123   7.6441   13.104   50.078   12.414   8.1845   3.4608   17.815   2.6771 -9.630965 4.375410 
1 1 1   40    1    5 o   17.748   1.8851   46.123   8.8485   51.118   12.340   40.836   12.695   18.038   2.6238   15.622   3.1346 2.416311 4.087760 
1 1 1   40    1    6 o   15.686   1.9733   36.432   8.1298   36.329   11.491   36.535   11.503   14.831   2.9881   14.880   2.9821 -0.4878807E-01 4.221602 
1 1 1   40    1    7 o   23.675   1.5282   79.704   9.6653   88.750   13.817   71.035   13.525   24.364   2.1328   21.522   2.3796 2.842157 3.195528 
1 1 1   40    1    8 o   15.811   1.9785   37.136   8.2182   57.890   11.614   16.321   11.631   19.514   2.2575   9.6428   3.4911 9.871048 4.157388 
1 1 1   40    1    9 o   9.1792   3.0646   14.243   8.8665   17.266   12.517   11.198   12.561   9.7974   3.6102   8.6128   3.4899 1.184605 5.021240 
1 1 1   40    1   10 o   5.8770   2.6204  -0.2140   8.3879   18.014   11.226 -23.2516   12.621   9.9902   3.4466   4.9766   2.4699 5.013611 4.240158 
1 1 1   40    1   11 o   13.116   2.4036   27.057   8.1556   18.982   11.412   35.488   11.660   10.169   3.4763   14.394   3.1071 -4.224671 4.662486 
1 1 1   40    1   12 o   7.0642   2.7847   6.6835   7.7788   26.051   11.061 -12.2681   10.942   12.009   3.3187   5.2330   2.5333 6.776485 4.175107 
1 1 1   40    1   13 o   16.229   1.9296   39.372   8.2462   23.117   11.531   56.384   11.797   11.082   3.4789   18.998   2.3630 -7.915895 4.205527 
1 1 1   40    1   14 o   10.355   2.7924   18.242   7.9441   15.955   11.168   20.584   11.302   9.3314   3.4144   10.423   3.4592 -1.091137 4.860436 
1 1 1   40    1   15 o   8.4163   2.8761   12.054   7.8111   13.027   11.005   11.067   11.089   8.6405   3.3391   8.2464   3.3008 0.3941126 4.695213 
1 1 1   40    1   16 o   15.260   1.9881   35.432   7.9550   42.495   11.285   28.454   11.216   15.964   2.7299   12.366   3.3110 3.598315 4.291295 
1 1 1   40    2   -7 o   10.710   4.6369   27.730   24.559   27.730   24.559   0.0000   0.0000   10.710   4.6369  ?   ?  0.000000 4.636888 
1 1 1   40    2   -6 o   7.7779   3.7445  -8.1360   23.114  -8.1360   23.114   0.0000   0.0000   7.7779   3.7445  ?   ?  0.000000 3.744548 
1 1 1   40    2   -5 o   9.9354   4.4951   18.660   25.708   18.660   25.708   0.0000   0.0000   9.9354   4.4951  ?   ?  0.000000 4.495125 
1 1 1   40    2   -4 o   24.837   3.0373  103.786   19.840  103.786   19.840   0.0000   0.0000   24.837   3.0373  ?   ?  0.000000 3.037339 
1 1 1   40    2   -3 o   16.546   4.1409   54.936   18.359   54.936   18.359   0.0000   0.0000   16.546   4.1409  ?   ?  0.000000 4.140865 
1 1 1   40    2   -2 o   12.796   4.0300   33.436   15.460   36.241   18.419   26.750   28.441   12.742   4.4137   10.723   4.7998 2.019238 6.520657 
1 1 1   40    2   -1 o   11.280   3.9497   25.741   14.769   26.512   17.384   23.740   27.999   11.141   4.2236   10.483   4.7217 0.6584644 6.335082 
1 1 1   40    2    0 o   17.235   3.4531   52.994   15.428   61.653   18.210   30.970   29.043   18.040   3.8739   11.097   4.9156 6.943097 6.258637 
1 1 1   40    2    1 o   8.0176   3.6444   3.6340   17.140   21.870   24.078 -15.1000   24.404   10.304   4.5236   7.6191   3.7102 2.684464 5.850504 
1 1 1   40    2    2 o   12.119   3.4086   26.837   11.561   23.692   18.302   28.925   14.912   10.612   4.2431   11.924   3.9741 -1.311943 5.813526 
1 1 1   40    2    3 o   4.9613   2.4107 -12.7548   10.152 -17.3672   16.868 -10.1356   12.711   6.2829   3.0651   5.8843   2.8182 0.3986359 4.163763 
1 1 1   40    2    4 o   18.720   2.6117   56.144   12.774   91.860   29.441   47.862   14.178   18.830   5.4862   16.482   3.3175 2.347755 6.411225 
1 1 1   40    2    5 o   8.4722   3.3118   11.685   10.921   16.039   18.076   9.1816   13.706   9.4736   4.0376   8.2571   3.5173 1.216448 5.354771 
1 1 1   40    2    6 o   6.1264   2.7273   0.5445   9.0478 -17.3665   14.075   13.157   11.811   5.6556   2.7677   8.7880   3.4416 -3.132449 4.416451 
1 1 1   40    2    7 o   14.982   2.3985   35.444   9.3261   30.677   13.901   39.346   12.576   12.394   3.8081   14.927   3.2305 -2.532525 4.993800 
1 1 1   40    2    8 o   9.1609   3.0012   14.639   8.5178   16.402   13.136   13.359   11.189   9.3736   3.6409   8.7641   3.3725 0.6095066 4.962881 
1 1 1   40    2    9 o   20.548   1.9584   63.413   10.677   86.572   17.849   50.509   13.324   22.506   3.0298   17.194   2.9940 5.312233 4.259521 
1 1 1   40    2   10 o   23.382   1.6230   79.487   10.130   85.163   15.251   75.007   13.550   23.053   2.5033   21.838   2.3470 1.215170 3.431467 
1 1 1   40    2   11 o   11.600   2.8752   23.326   8.9128   15.456   13.984   28.710   11.567   9.0697   3.6797   12.335   3.3875 -3.265781 5.001530 
1 1 1   40    2   12 o   6.5103   2.8433   3.0580   9.4037   18.759   15.603  -5.8987   11.784   9.5282   3.8789   5.9202   2.8005 3.608006 4.784183 
1 1 1   40    2   13 o   12.467   2.6808   26.278   8.7099   32.119   14.185   22.743   11.035   12.270   3.8595   10.787   3.4056 1.483500 5.147201 
1 1 1   40    3   -5 o   9.7662   4.5163   23.230   27.903   23.230   27.903   0.0000   0.0000   9.7662   4.5163  ?   ?  0.000000 4.516311 
1 1 1   40    3   -4 o   7.2263   3.5829 -21.8900   26.309 -21.8900   26.309   0.0000   0.0000   7.2263   3.5829  ?   ?  0.000000 3.582875 
1 1 1   40    3   -3 o   7.9703   3.8820  -6.5290   26.755  -6.5290   26.755   0.0000   0.0000   7.9703   3.8820  ?   ?  0.000000 3.882041 
1 1 1   40    3   -2 o   10.503   4.2394   26.186   18.459   26.186   18.459   0.0000   0.0000   10.503   4.2394  ?   ?  0.000000 4.239373 
1 1 1   40    3   -1 o   6.7890   3.2800 -10.1620   18.114 -10.1620   18.114   0.0000   0.0000   6.7890   3.2800  ?   ?  0.000000 3.280019 
1 1 1   40    3    0 o   13.231   4.4296   42.030   18.525   42.030   18.525   0.0000   0.0000   13.231   4.4296  ?   ?  0.000000 4.429632 
1 1 1   40    3    1 o   6.6491   3.3314 -35.3200   25.416 -35.3200   25.416   0.0000   0.0000   6.6491   3.3314  ?   ?  0.000000 3.331450 
1 1 1   40    3    2 o   9.7341   4.1314   20.768   18.786   20.768   18.786   0.0000   0.0000   9.7341   4.1314  ?   ?  0.000000 4.131364 
1 1 1   40    3    3 o   15.667   4.4497   56.439   19.601   56.439   19.601   0.0000   0.0000   15.667   4.4497  ?   ?  0.000000 4.449729 
1 1 1   40    3    4 o   16.141   3.6538   50.638   15.472   57.682   19.683   39.250   25.029   15.844   4.4447   11.448   4.8086 4.395949 6.548173 
1 1 1   40    3    5 o   7.1524   3.2265   3.2364   13.132 -10.1592   18.282   17.516   18.876   6.7775   3.2794   9.2663   4.0382 -2.488804 5.202085 
1 1 1   40    3    6 o   10.339   3.5689   21.757   12.038   7.8688   18.716   31.558   15.722   8.2132   3.7618   11.736   4.0771 -3.522803 5.547420 
1 1 1   40    3    7 o   9.2719   3.6339   17.391   13.176   16.531   19.706   18.087   17.719   9.0881   4.0363   9.2665   3.9746 -0.1784382 5.664735 
1 1 1   41    0   -5 o   6.6176   4.5235  -6.3280   25.276  -6.3280   25.276  -6.3280   25.276   6.6176   4.5235   6.6176   4.5235 0.000000 0.000000 
1 1 1   41    0   -4 o   30.635   4.2889  150.200   33.309  150.200   33.309  150.200   33.309   30.635   4.2889   30.635   4.2889 0.000000 0.000000 
1 1 1   41    0   -3 o   8.8050   5.5232   16.360   27.143   16.360   27.143   16.360   27.143   8.8050   5.5232   8.8050   5.5232 0.000000 0.000000 
1 1 1   41    0   -2 o   17.261   4.7436   53.486   19.017   53.486   19.017   53.486   19.017   17.261   4.7436   17.261   4.7436 0.000000 0.000000 
1 1 1   41    0   -1 f   19.605   3.8458   62.045   18.026   62.045   18.026   62.045   18.026   19.605   3.8458   19.605   3.8458 0.000000 0.000000 
1 1 1   41    0    0 o   5.8993   3.9614  -2.6304   17.728  -2.6304   17.728  -2.6304   17.728   5.8993   3.9614   5.8993   3.9614 0.000000 0.000000 
1 1 1   41    0    1 f   13.986   5.2185   40.300   18.258   40.300   18.258   40.300   18.258   13.986   5.2185   13.986   5.2185 0.000000 0.000000 
1 1 1   41    0    2 o   18.216   4.5050   57.410   19.080   57.410   19.080   57.410   19.080   18.216   4.5050   18.216   4.5050 0.000000 0.000000 
1 1 1   41    0    3 o   9.1871   5.1432   20.682   19.049   20.682   19.049   20.682   19.049   9.1871   5.1432   9.1871   5.1432 0.000000 0.000000 
1 1 1   41    0    4 o   5.0522   3.6301 -31.9500   23.776 -31.9500   23.776 -31.9500   23.776   5.0522   3.6301   5.0522   3.6301 0.000000 0.000000 
1 1 1   41    0    5 o   14.000   5.4528   41.964   19.557   41.964   19.557   41.964   19.557   14.000   5.4528   14.000   5.4528 0.000000 0.000000 
1 1 1   41    0    6 o   17.642   3.1522   48.472   13.517   48.472   13.517   48.472   13.517   17.642   3.1522   17.642   3.1522 0.000000 0.000000 
1 1 1   41    0    7 o   4.9040   3.3176  -3.8019   12.879  -3.8019   12.879  -3.8019   12.879   4.9040   3.3176   4.9040   3.3176 0.000000 0.000000 
1 1 1   41    0    8 f   7.1966   4.0856   11.482   12.247   11.482   12.247   11.482   12.247   7.1966   4.0856   7.1966   4.0856 0.000000 0.000000 
1 1 1   41    0    9 f   17.469   2.9158   46.906   12.535   46.906   12.535   46.906   12.535   17.469   2.9158   17.469   2.9158 0.000000 0.000000 
1 1 1   41    0   10 o   11.056   4.0598   24.077   11.141   24.077   11.141   24.077   11.141   11.056   4.0598   11.056   4.0598 0.000000 0.000000 
1 1 1   41    0   11 f   18.070   2.5305   48.764   11.591   48.764   11.591   48.764   11.591   18.070   2.5305   18.070   2.5305 0.000000 0.000000 
1 1 1   41    0   12 o   3.2830   2.3809 -21.2255   11.440 -21.2255   11.440 -21.2255   11.440   3.2830   2.3809   3.2830   2.3809 0.000000 0.000000 
1 1 1   41    0   13 o   18.897   2.4069   52.862   11.676   52.862   11.676   52.862   11.676   18.897   2.4069   18.897   2.4069 0.000000 0.000000 
1 1 1   41    1   -3 o   9.5257   4.4478   17.860   28.089   17.860   28.089   0.0000   0.0000   9.5257   4.4478  ?   ?  0.000000 4.447802 
1 1 1   41    1   -2 o   6.9343   3.4587 -30.2300   26.044 -30.2300   26.044   0.0000   0.0000   6.9343   3.4587  ?   ?  0.000000 3.458730 
1 1 1   41    1   -1 o   9.9505   4.5641   23.290   27.687   23.290   27.687   0.0000   0.0000   9.9505   4.5641  ?   ?  0.000000 4.564118 
1 1 1   41    1    0 o   12.113   4.5872   37.814   20.493   93.450   29.447 -14.4400   28.538   18.103   5.5392   7.8315   3.8544 10.27106 6.748224 
1 1 1   41    1    1 o   8.3068   3.7598   8.0596   18.007  -8.2170   23.337   32.010   28.308   7.6192   3.6912   10.639   4.7735 -3.019710 6.034168 
1 1 1   41    1    2 o   11.760   4.0739   30.734   15.693   43.261   18.750   1.4400   28.673   13.473   4.4546   8.5805   4.1409 4.892480 6.082007 
1 1 1   41    1    3 o   8.9342   3.7969   14.490   15.904   20.792   19.197   0.6961   28.400   9.7730   4.1629   8.5096   4.1103 1.263390 5.850107 
1 1 1   41    1    4 o   7.3831   3.5090  -3.3533   18.931  -3.3533   18.931   0.0000   0.0000   7.3831   3.5090  ?   ?  0.000000 3.508982 
1 1 1   41    1    5 o   5.2964   2.6052 -17.5342   12.977 -18.7471   18.989 -16.4713   17.776   6.4169   3.1554   6.3398   3.1042 0.7718468E-01 4.426390 
1 1 1   41    1    6 o   8.5114   3.5947   12.426   14.111   34.990   20.148  -9.2985   19.769   11.564   4.5043   7.0558   3.4132 4.508571 5.651447 
1 1 1   41    1    7 o   5.4635   2.6860 -17.3711   13.734   4.5985   19.082 -40.9855   19.784   7.9619   3.7003   5.5800   2.8145 2.381896 4.649078 
1 1 1   41    1    8 o   6.7630   3.0287   2.6476   11.339 -10.2125   18.703   10.121   14.258   6.8023   3.2976   8.1275   3.5259 -1.325235 4.827677 
#END OF REFLECTIONS
